data_25715 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25715 _Entry.Title ; Chemical shifts of the HLA-B2709 heavy chain in complex with the peptide TIS ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-16 _Entry.Accession_date 2015-07-16 _Entry.Last_release_date 2015-12-02 _Entry.Original_release_date 2015-12-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; Backbone H and NH, as well as CO, CA and CB chemical shifts of the HLA-B2709 heavy chain in complex with the peptide TIS (RRLPIFSRL, derived from epidermal growth factor response factor type 1). ; _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.Entry_ID 1 Martin Ballaschk . . . 25715 2 Peter Schmieder . . . 25715 3 Andreas Ziegler . . . 25715 4 Anne Diehl . . . 25715 5 Barbara Uchanska-Ziegler . . . 25715 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25715 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Schmieder group, FMP Berlin' . 25715 2 . 'Ziegler group, Free University of Berlin' . 25715 3 . 'Oschkinat group, FMP Berlin' . 25715 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 25715 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 767 25715 '15N chemical shifts' 296 25715 '1H chemical shifts' 296 25715 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 . . 2015-12-02 . original BMRB . 25715 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25711 HLA-B2705_TIS 25715 BMRB 25713 HLA-B2709_pVIPR 25715 BMRB 25714 HLA-B2705_pVIPR 25715 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25715 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Characterization of HLA-b27:05 and :09 complexed with TIS and pVIPR by NMR ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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.Entry_ID _Citation_author.Citation_ID 1 Martin Ballaschk . . . 25715 1 2 Andreas Ziegler . . . 25715 1 3 Barbara Uchanska-Ziegler . . . 25715 1 4 Anne Diehl . . . 25715 1 5 Peter Schmieder . . . 25715 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25715 _Assembly.ID 1 _Assembly.Name HLA-B2709_TIS _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 'all free' _Assembly.Molecular_mass 0 _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 09t.hc 1 $09t.hc A . yes native yes no . 'antigen binding' . 25715 1 2 09t.b2m 2 $09t.b2m B . no native no no . 'structral support' . 25715 1 3 09t.TIS 3 $09t.TIS C . no native no no . antigen . 25715 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 116 116 SG . 1 . 1 CYS 179 179 SG . . . . . . . . . . 25715 1 2 disulfide single . 1 . 1 CYS 218 218 SG . 1 . 1 CYS 274 274 SG . . . . . . . . . . 25715 1 3 disulfide single . 2 . 2 CYS 26 26 SG . 2 . 2 CYS 81 81 SG . . . . . . . . . . 25715 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_09t.hc _Entity.Sf_category entity _Entity.Sf_framecode 09t.hc _Entity.Entry_ID 25715 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 09_heavy_chain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAHHHHHHVDDDDKIGSHSM RYFHTSVSRPGRGEPRFITV GYVDDTLFVRFDSDAASPRE EPRAPWIEQEGPEYWDRETQ ICKAKAQTDREDLRTLLRYY NQSEAGSHTLQNMYGCDVGP DGRLLRGYHQHAYDGKDYIA LNEDLSSWTAADTAAQITQR KWEAARVAEQLRAYLEGECV EWLRRYLENGKETLQRADPP KTHVTHHPISDHEATLRCWA LGFYPAEITLTWQRDGEDQT QDTELVETRPAGDRTFQKWA AVVVPSGEEQRYTCHVQHEG LPKPLTLRWEPS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-15 (-14-0) represent a non-native affinity tag. This is the extracellular domain of a membrane protein. ; _Entity.Ambiguous_conformational_states yes _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 292 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'HLA-B2709 extracellular domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 33820.2 _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 -14 MET . 25715 1 2 -13 ALA . 25715 1 3 -12 HIS . 25715 1 4 -11 HIS . 25715 1 5 -10 HIS . 25715 1 6 -9 HIS . 25715 1 7 -8 HIS . 25715 1 8 -7 HIS . 25715 1 9 -6 VAL . 25715 1 10 -5 ASP . 25715 1 11 -4 ASP . 25715 1 12 -3 ASP . 25715 1 13 -2 ASP . 25715 1 14 -1 LYS . 25715 1 15 0 ILE . 25715 1 16 1 GLY . 25715 1 17 2 SER . 25715 1 18 3 HIS . 25715 1 19 4 SER . 25715 1 20 5 MET . 25715 1 21 6 ARG . 25715 1 22 7 TYR . 25715 1 23 8 PHE . 25715 1 24 9 HIS . 25715 1 25 10 THR . 25715 1 26 11 SER . 25715 1 27 12 VAL . 25715 1 28 13 SER . 25715 1 29 14 ARG . 25715 1 30 15 PRO . 25715 1 31 16 GLY . 25715 1 32 17 ARG . 25715 1 33 18 GLY . 25715 1 34 19 GLU . 25715 1 35 20 PRO . 25715 1 36 21 ARG . 25715 1 37 22 PHE . 25715 1 38 23 ILE . 25715 1 39 24 THR . 25715 1 40 25 VAL . 25715 1 41 26 GLY . 25715 1 42 27 TYR . 25715 1 43 28 VAL . 25715 1 44 29 ASP . 25715 1 45 30 ASP . 25715 1 46 31 THR . 25715 1 47 32 LEU . 25715 1 48 33 PHE . 25715 1 49 34 VAL . 25715 1 50 35 ARG . 25715 1 51 36 PHE . 25715 1 52 37 ASP . 25715 1 53 38 SER . 25715 1 54 39 ASP . 25715 1 55 40 ALA . 25715 1 56 41 ALA . 25715 1 57 42 SER . 25715 1 58 43 PRO . 25715 1 59 44 ARG . 25715 1 60 45 GLU . 25715 1 61 46 GLU . 25715 1 62 47 PRO . 25715 1 63 48 ARG . 25715 1 64 49 ALA . 25715 1 65 50 PRO . 25715 1 66 51 TRP . 25715 1 67 52 ILE . 25715 1 68 53 GLU . 25715 1 69 54 GLN . 25715 1 70 55 GLU . 25715 1 71 56 GLY . 25715 1 72 57 PRO . 25715 1 73 58 GLU . 25715 1 74 59 TYR . 25715 1 75 60 TRP . 25715 1 76 61 ASP . 25715 1 77 62 ARG . 25715 1 78 63 GLU . 25715 1 79 64 THR . 25715 1 80 65 GLN . 25715 1 81 66 ILE . 25715 1 82 67 CYS . 25715 1 83 68 LYS . 25715 1 84 69 ALA . 25715 1 85 70 LYS . 25715 1 86 71 ALA . 25715 1 87 72 GLN . 25715 1 88 73 THR . 25715 1 89 74 ASP . 25715 1 90 75 ARG . 25715 1 91 76 GLU . 25715 1 92 77 ASP . 25715 1 93 78 LEU . 25715 1 94 79 ARG . 25715 1 95 80 THR . 25715 1 96 81 LEU . 25715 1 97 82 LEU . 25715 1 98 83 ARG . 25715 1 99 84 TYR . 25715 1 100 85 TYR . 25715 1 101 86 ASN . 25715 1 102 87 GLN . 25715 1 103 88 SER . 25715 1 104 89 GLU . 25715 1 105 90 ALA . 25715 1 106 91 GLY . 25715 1 107 92 SER . 25715 1 108 93 HIS . 25715 1 109 94 THR . 25715 1 110 95 LEU . 25715 1 111 96 GLN . 25715 1 112 97 ASN . 25715 1 113 98 MET . 25715 1 114 99 TYR . 25715 1 115 100 GLY . 25715 1 116 101 CYS . 25715 1 117 102 ASP . 25715 1 118 103 VAL . 25715 1 119 104 GLY . 25715 1 120 105 PRO . 25715 1 121 106 ASP . 25715 1 122 107 GLY . 25715 1 123 108 ARG . 25715 1 124 109 LEU . 25715 1 125 110 LEU . 25715 1 126 111 ARG . 25715 1 127 112 GLY . 25715 1 128 113 TYR . 25715 1 129 114 HIS . 25715 1 130 115 GLN . 25715 1 131 116 HIS . 25715 1 132 117 ALA . 25715 1 133 118 TYR . 25715 1 134 119 ASP . 25715 1 135 120 GLY . 25715 1 136 121 LYS . 25715 1 137 122 ASP . 25715 1 138 123 TYR . 25715 1 139 124 ILE . 25715 1 140 125 ALA . 25715 1 141 126 LEU . 25715 1 142 127 ASN . 25715 1 143 128 GLU . 25715 1 144 129 ASP . 25715 1 145 130 LEU . 25715 1 146 131 SER . 25715 1 147 132 SER . 25715 1 148 133 TRP . 25715 1 149 134 THR . 25715 1 150 135 ALA . 25715 1 151 136 ALA . 25715 1 152 137 ASP . 25715 1 153 138 THR . 25715 1 154 139 ALA . 25715 1 155 140 ALA . 25715 1 156 141 GLN . 25715 1 157 142 ILE . 25715 1 158 143 THR . 25715 1 159 144 GLN . 25715 1 160 145 ARG . 25715 1 161 146 LYS . 25715 1 162 147 TRP . 25715 1 163 148 GLU . 25715 1 164 149 ALA . 25715 1 165 150 ALA . 25715 1 166 151 ARG . 25715 1 167 152 VAL . 25715 1 168 153 ALA . 25715 1 169 154 GLU . 25715 1 170 155 GLN . 25715 1 171 156 LEU . 25715 1 172 157 ARG . 25715 1 173 158 ALA . 25715 1 174 159 TYR . 25715 1 175 160 LEU . 25715 1 176 161 GLU . 25715 1 177 162 GLY . 25715 1 178 163 GLU . 25715 1 179 164 CYS . 25715 1 180 165 VAL . 25715 1 181 166 GLU . 25715 1 182 167 TRP . 25715 1 183 168 LEU . 25715 1 184 169 ARG . 25715 1 185 170 ARG . 25715 1 186 171 TYR . 25715 1 187 172 LEU . 25715 1 188 173 GLU . 25715 1 189 174 ASN . 25715 1 190 175 GLY . 25715 1 191 176 LYS . 25715 1 192 177 GLU . 25715 1 193 178 THR . 25715 1 194 179 LEU . 25715 1 195 180 GLN . 25715 1 196 181 ARG . 25715 1 197 182 ALA . 25715 1 198 183 ASP . 25715 1 199 184 PRO . 25715 1 200 185 PRO . 25715 1 201 186 LYS . 25715 1 202 187 THR . 25715 1 203 188 HIS . 25715 1 204 189 VAL . 25715 1 205 190 THR . 25715 1 206 191 HIS . 25715 1 207 192 HIS . 25715 1 208 193 PRO . 25715 1 209 194 ILE . 25715 1 210 195 SER . 25715 1 211 196 ASP . 25715 1 212 197 HIS . 25715 1 213 198 GLU . 25715 1 214 199 ALA . 25715 1 215 200 THR . 25715 1 216 201 LEU . 25715 1 217 202 ARG . 25715 1 218 203 CYS . 25715 1 219 204 TRP . 25715 1 220 205 ALA . 25715 1 221 206 LEU . 25715 1 222 207 GLY . 25715 1 223 208 PHE . 25715 1 224 209 TYR . 25715 1 225 210 PRO . 25715 1 226 211 ALA . 25715 1 227 212 GLU . 25715 1 228 213 ILE . 25715 1 229 214 THR . 25715 1 230 215 LEU . 25715 1 231 216 THR . 25715 1 232 217 TRP . 25715 1 233 218 GLN . 25715 1 234 219 ARG . 25715 1 235 220 ASP . 25715 1 236 221 GLY . 25715 1 237 222 GLU . 25715 1 238 223 ASP . 25715 1 239 224 GLN . 25715 1 240 225 THR . 25715 1 241 226 GLN . 25715 1 242 227 ASP . 25715 1 243 228 THR . 25715 1 244 229 GLU . 25715 1 245 230 LEU . 25715 1 246 231 VAL . 25715 1 247 232 GLU . 25715 1 248 233 THR . 25715 1 249 234 ARG . 25715 1 250 235 PRO . 25715 1 251 236 ALA . 25715 1 252 237 GLY . 25715 1 253 238 ASP . 25715 1 254 239 ARG . 25715 1 255 240 THR . 25715 1 256 241 PHE . 25715 1 257 242 GLN . 25715 1 258 243 LYS . 25715 1 259 244 TRP . 25715 1 260 245 ALA . 25715 1 261 246 ALA . 25715 1 262 247 VAL . 25715 1 263 248 VAL . 25715 1 264 249 VAL . 25715 1 265 250 PRO . 25715 1 266 251 SER . 25715 1 267 252 GLY . 25715 1 268 253 GLU . 25715 1 269 254 GLU . 25715 1 270 255 GLN . 25715 1 271 256 ARG . 25715 1 272 257 TYR . 25715 1 273 258 THR . 25715 1 274 259 CYS . 25715 1 275 260 HIS . 25715 1 276 261 VAL . 25715 1 277 262 GLN . 25715 1 278 263 HIS . 25715 1 279 264 GLU . 25715 1 280 265 GLY . 25715 1 281 266 LEU . 25715 1 282 267 PRO . 25715 1 283 268 LYS . 25715 1 284 269 PRO . 25715 1 285 270 LEU . 25715 1 286 271 THR . 25715 1 287 272 LEU . 25715 1 288 273 ARG . 25715 1 289 274 TRP . 25715 1 290 275 GLU . 25715 1 291 276 PRO . 25715 1 292 277 SER . 25715 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25715 1 . ALA 2 2 25715 1 . HIS 3 3 25715 1 . HIS 4 4 25715 1 . HIS 5 5 25715 1 . HIS 6 6 25715 1 . HIS 7 7 25715 1 . HIS 8 8 25715 1 . VAL 9 9 25715 1 . ASP 10 10 25715 1 . ASP 11 11 25715 1 . ASP 12 12 25715 1 . ASP 13 13 25715 1 . LYS 14 14 25715 1 . ILE 15 15 25715 1 . GLY 16 16 25715 1 . SER 17 17 25715 1 . HIS 18 18 25715 1 . SER 19 19 25715 1 . MET 20 20 25715 1 . ARG 21 21 25715 1 . TYR 22 22 25715 1 . PHE 23 23 25715 1 . HIS 24 24 25715 1 . THR 25 25 25715 1 . SER 26 26 25715 1 . VAL 27 27 25715 1 . SER 28 28 25715 1 . ARG 29 29 25715 1 . PRO 30 30 25715 1 . GLY 31 31 25715 1 . ARG 32 32 25715 1 . GLY 33 33 25715 1 . GLU 34 34 25715 1 . PRO 35 35 25715 1 . ARG 36 36 25715 1 . PHE 37 37 25715 1 . ILE 38 38 25715 1 . THR 39 39 25715 1 . VAL 40 40 25715 1 . GLY 41 41 25715 1 . TYR 42 42 25715 1 . VAL 43 43 25715 1 . ASP 44 44 25715 1 . ASP 45 45 25715 1 . THR 46 46 25715 1 . LEU 47 47 25715 1 . PHE 48 48 25715 1 . VAL 49 49 25715 1 . ARG 50 50 25715 1 . PHE 51 51 25715 1 . ASP 52 52 25715 1 . SER 53 53 25715 1 . ASP 54 54 25715 1 . ALA 55 55 25715 1 . ALA 56 56 25715 1 . SER 57 57 25715 1 . PRO 58 58 25715 1 . ARG 59 59 25715 1 . GLU 60 60 25715 1 . GLU 61 61 25715 1 . PRO 62 62 25715 1 . ARG 63 63 25715 1 . ALA 64 64 25715 1 . PRO 65 65 25715 1 . TRP 66 66 25715 1 . ILE 67 67 25715 1 . GLU 68 68 25715 1 . GLN 69 69 25715 1 . GLU 70 70 25715 1 . GLY 71 71 25715 1 . PRO 72 72 25715 1 . GLU 73 73 25715 1 . TYR 74 74 25715 1 . TRP 75 75 25715 1 . ASP 76 76 25715 1 . ARG 77 77 25715 1 . GLU 78 78 25715 1 . THR 79 79 25715 1 . GLN 80 80 25715 1 . ILE 81 81 25715 1 . CYS 82 82 25715 1 . LYS 83 83 25715 1 . ALA 84 84 25715 1 . LYS 85 85 25715 1 . ALA 86 86 25715 1 . GLN 87 87 25715 1 . THR 88 88 25715 1 . ASP 89 89 25715 1 . ARG 90 90 25715 1 . GLU 91 91 25715 1 . ASP 92 92 25715 1 . LEU 93 93 25715 1 . ARG 94 94 25715 1 . THR 95 95 25715 1 . LEU 96 96 25715 1 . LEU 97 97 25715 1 . ARG 98 98 25715 1 . TYR 99 99 25715 1 . TYR 100 100 25715 1 . ASN 101 101 25715 1 . GLN 102 102 25715 1 . SER 103 103 25715 1 . GLU 104 104 25715 1 . ALA 105 105 25715 1 . GLY 106 106 25715 1 . SER 107 107 25715 1 . HIS 108 108 25715 1 . THR 109 109 25715 1 . LEU 110 110 25715 1 . GLN 111 111 25715 1 . ASN 112 112 25715 1 . MET 113 113 25715 1 . TYR 114 114 25715 1 . GLY 115 115 25715 1 . CYS 116 116 25715 1 . ASP 117 117 25715 1 . VAL 118 118 25715 1 . GLY 119 119 25715 1 . PRO 120 120 25715 1 . ASP 121 121 25715 1 . GLY 122 122 25715 1 . ARG 123 123 25715 1 . LEU 124 124 25715 1 . LEU 125 125 25715 1 . ARG 126 126 25715 1 . GLY 127 127 25715 1 . TYR 128 128 25715 1 . HIS 129 129 25715 1 . GLN 130 130 25715 1 . HIS 131 131 25715 1 . ALA 132 132 25715 1 . TYR 133 133 25715 1 . ASP 134 134 25715 1 . GLY 135 135 25715 1 . LYS 136 136 25715 1 . ASP 137 137 25715 1 . TYR 138 138 25715 1 . ILE 139 139 25715 1 . ALA 140 140 25715 1 . LEU 141 141 25715 1 . ASN 142 142 25715 1 . GLU 143 143 25715 1 . ASP 144 144 25715 1 . LEU 145 145 25715 1 . SER 146 146 25715 1 . SER 147 147 25715 1 . TRP 148 148 25715 1 . THR 149 149 25715 1 . ALA 150 150 25715 1 . ALA 151 151 25715 1 . ASP 152 152 25715 1 . THR 153 153 25715 1 . ALA 154 154 25715 1 . ALA 155 155 25715 1 . GLN 156 156 25715 1 . ILE 157 157 25715 1 . THR 158 158 25715 1 . GLN 159 159 25715 1 . ARG 160 160 25715 1 . LYS 161 161 25715 1 . TRP 162 162 25715 1 . GLU 163 163 25715 1 . ALA 164 164 25715 1 . ALA 165 165 25715 1 . ARG 166 166 25715 1 . VAL 167 167 25715 1 . ALA 168 168 25715 1 . GLU 169 169 25715 1 . GLN 170 170 25715 1 . LEU 171 171 25715 1 . ARG 172 172 25715 1 . ALA 173 173 25715 1 . TYR 174 174 25715 1 . LEU 175 175 25715 1 . GLU 176 176 25715 1 . GLY 177 177 25715 1 . GLU 178 178 25715 1 . CYS 179 179 25715 1 . VAL 180 180 25715 1 . GLU 181 181 25715 1 . TRP 182 182 25715 1 . LEU 183 183 25715 1 . ARG 184 184 25715 1 . ARG 185 185 25715 1 . TYR 186 186 25715 1 . LEU 187 187 25715 1 . GLU 188 188 25715 1 . ASN 189 189 25715 1 . GLY 190 190 25715 1 . LYS 191 191 25715 1 . GLU 192 192 25715 1 . THR 193 193 25715 1 . LEU 194 194 25715 1 . GLN 195 195 25715 1 . ARG 196 196 25715 1 . ALA 197 197 25715 1 . ASP 198 198 25715 1 . PRO 199 199 25715 1 . PRO 200 200 25715 1 . LYS 201 201 25715 1 . THR 202 202 25715 1 . HIS 203 203 25715 1 . VAL 204 204 25715 1 . THR 205 205 25715 1 . HIS 206 206 25715 1 . HIS 207 207 25715 1 . PRO 208 208 25715 1 . ILE 209 209 25715 1 . SER 210 210 25715 1 . ASP 211 211 25715 1 . HIS 212 212 25715 1 . GLU 213 213 25715 1 . ALA 214 214 25715 1 . THR 215 215 25715 1 . LEU 216 216 25715 1 . ARG 217 217 25715 1 . CYS 218 218 25715 1 . TRP 219 219 25715 1 . ALA 220 220 25715 1 . LEU 221 221 25715 1 . GLY 222 222 25715 1 . PHE 223 223 25715 1 . TYR 224 224 25715 1 . PRO 225 225 25715 1 . ALA 226 226 25715 1 . GLU 227 227 25715 1 . ILE 228 228 25715 1 . THR 229 229 25715 1 . LEU 230 230 25715 1 . THR 231 231 25715 1 . TRP 232 232 25715 1 . GLN 233 233 25715 1 . ARG 234 234 25715 1 . ASP 235 235 25715 1 . GLY 236 236 25715 1 . GLU 237 237 25715 1 . ASP 238 238 25715 1 . GLN 239 239 25715 1 . THR 240 240 25715 1 . GLN 241 241 25715 1 . ASP 242 242 25715 1 . THR 243 243 25715 1 . GLU 244 244 25715 1 . LEU 245 245 25715 1 . VAL 246 246 25715 1 . GLU 247 247 25715 1 . THR 248 248 25715 1 . ARG 249 249 25715 1 . PRO 250 250 25715 1 . ALA 251 251 25715 1 . GLY 252 252 25715 1 . ASP 253 253 25715 1 . ARG 254 254 25715 1 . THR 255 255 25715 1 . PHE 256 256 25715 1 . GLN 257 257 25715 1 . LYS 258 258 25715 1 . TRP 259 259 25715 1 . ALA 260 260 25715 1 . ALA 261 261 25715 1 . VAL 262 262 25715 1 . VAL 263 263 25715 1 . VAL 264 264 25715 1 . PRO 265 265 25715 1 . SER 266 266 25715 1 . GLY 267 267 25715 1 . GLU 268 268 25715 1 . GLU 269 269 25715 1 . GLN 270 270 25715 1 . ARG 271 271 25715 1 . TYR 272 272 25715 1 . THR 273 273 25715 1 . CYS 274 274 25715 1 . HIS 275 275 25715 1 . VAL 276 276 25715 1 . GLN 277 277 25715 1 . HIS 278 278 25715 1 . GLU 279 279 25715 1 . GLY 280 280 25715 1 . LEU 281 281 25715 1 . PRO 282 282 25715 1 . LYS 283 283 25715 1 . PRO 284 284 25715 1 . LEU 285 285 25715 1 . THR 286 286 25715 1 . LEU 287 287 25715 1 . ARG 288 288 25715 1 . TRP 289 289 25715 1 . GLU 290 290 25715 1 . PRO 291 291 25715 1 . SER 292 292 25715 1 stop_ save_ save_09t.b2m _Entity.Sf_category entity _Entity.Sf_framecode 09t.b2m _Entity.Entry_ID 25715 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name b2m _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MIQRTPKIQVYSRHPAENGK SNFLNCYVSGFHPSDIEVDL LKNGERIEKVEHSDLSFSKD WSFYLLYYTEFTPTEKDEYA CRVNHVTLSQPKIVKWDRDM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The first residue (0, M) is the start codon from the bacterial expression system and hence not present in the native protein. ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment human_beta-2_microglobulin _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11864.3434 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 25715 2 2 . ILE . 25715 2 3 . GLN . 25715 2 4 . ARG . 25715 2 5 . THR . 25715 2 6 . PRO . 25715 2 7 . LYS . 25715 2 8 . ILE . 25715 2 9 . GLN . 25715 2 10 . VAL . 25715 2 11 . TYR . 25715 2 12 . SER . 25715 2 13 . ARG . 25715 2 14 . HIS . 25715 2 15 . PRO . 25715 2 16 . ALA . 25715 2 17 . GLU . 25715 2 18 . ASN . 25715 2 19 . GLY . 25715 2 20 . LYS . 25715 2 21 . SER . 25715 2 22 . ASN . 25715 2 23 . PHE . 25715 2 24 . LEU . 25715 2 25 . ASN . 25715 2 26 . CYS . 25715 2 27 . TYR . 25715 2 28 . VAL . 25715 2 29 . SER . 25715 2 30 . GLY . 25715 2 31 . PHE . 25715 2 32 . HIS . 25715 2 33 . PRO . 25715 2 34 . SER . 25715 2 35 . ASP . 25715 2 36 . ILE . 25715 2 37 . GLU . 25715 2 38 . VAL . 25715 2 39 . ASP . 25715 2 40 . LEU . 25715 2 41 . LEU . 25715 2 42 . LYS . 25715 2 43 . ASN . 25715 2 44 . GLY . 25715 2 45 . GLU . 25715 2 46 . ARG . 25715 2 47 . ILE . 25715 2 48 . GLU . 25715 2 49 . LYS . 25715 2 50 . VAL . 25715 2 51 . GLU . 25715 2 52 . HIS . 25715 2 53 . SER . 25715 2 54 . ASP . 25715 2 55 . LEU . 25715 2 56 . SER . 25715 2 57 . PHE . 25715 2 58 . SER . 25715 2 59 . LYS . 25715 2 60 . ASP . 25715 2 61 . TRP . 25715 2 62 . SER . 25715 2 63 . PHE . 25715 2 64 . TYR . 25715 2 65 . LEU . 25715 2 66 . LEU . 25715 2 67 . TYR . 25715 2 68 . TYR . 25715 2 69 . THR . 25715 2 70 . GLU . 25715 2 71 . PHE . 25715 2 72 . THR . 25715 2 73 . PRO . 25715 2 74 . THR . 25715 2 75 . GLU . 25715 2 76 . LYS . 25715 2 77 . ASP . 25715 2 78 . GLU . 25715 2 79 . TYR . 25715 2 80 . ALA . 25715 2 81 . CYS . 25715 2 82 . ARG . 25715 2 83 . VAL . 25715 2 84 . ASN . 25715 2 85 . HIS . 25715 2 86 . VAL . 25715 2 87 . THR . 25715 2 88 . LEU . 25715 2 89 . SER . 25715 2 90 . GLN . 25715 2 91 . PRO . 25715 2 92 . LYS . 25715 2 93 . ILE . 25715 2 94 . VAL . 25715 2 95 . LYS . 25715 2 96 . TRP . 25715 2 97 . ASP . 25715 2 98 . ARG . 25715 2 99 . ASP . 25715 2 100 . MET . 25715 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25715 2 . ILE 2 2 25715 2 . GLN 3 3 25715 2 . ARG 4 4 25715 2 . THR 5 5 25715 2 . PRO 6 6 25715 2 . LYS 7 7 25715 2 . ILE 8 8 25715 2 . GLN 9 9 25715 2 . VAL 10 10 25715 2 . TYR 11 11 25715 2 . SER 12 12 25715 2 . ARG 13 13 25715 2 . HIS 14 14 25715 2 . PRO 15 15 25715 2 . ALA 16 16 25715 2 . GLU 17 17 25715 2 . ASN 18 18 25715 2 . GLY 19 19 25715 2 . LYS 20 20 25715 2 . SER 21 21 25715 2 . ASN 22 22 25715 2 . PHE 23 23 25715 2 . LEU 24 24 25715 2 . ASN 25 25 25715 2 . CYS 26 26 25715 2 . TYR 27 27 25715 2 . VAL 28 28 25715 2 . SER 29 29 25715 2 . GLY 30 30 25715 2 . PHE 31 31 25715 2 . HIS 32 32 25715 2 . PRO 33 33 25715 2 . SER 34 34 25715 2 . ASP 35 35 25715 2 . ILE 36 36 25715 2 . GLU 37 37 25715 2 . VAL 38 38 25715 2 . ASP 39 39 25715 2 . LEU 40 40 25715 2 . LEU 41 41 25715 2 . LYS 42 42 25715 2 . ASN 43 43 25715 2 . GLY 44 44 25715 2 . GLU 45 45 25715 2 . ARG 46 46 25715 2 . ILE 47 47 25715 2 . GLU 48 48 25715 2 . LYS 49 49 25715 2 . VAL 50 50 25715 2 . GLU 51 51 25715 2 . HIS 52 52 25715 2 . SER 53 53 25715 2 . ASP 54 54 25715 2 . LEU 55 55 25715 2 . SER 56 56 25715 2 . PHE 57 57 25715 2 . SER 58 58 25715 2 . LYS 59 59 25715 2 . ASP 60 60 25715 2 . TRP 61 61 25715 2 . SER 62 62 25715 2 . PHE 63 63 25715 2 . TYR 64 64 25715 2 . LEU 65 65 25715 2 . LEU 66 66 25715 2 . TYR 67 67 25715 2 . TYR 68 68 25715 2 . THR 69 69 25715 2 . GLU 70 70 25715 2 . PHE 71 71 25715 2 . THR 72 72 25715 2 . PRO 73 73 25715 2 . THR 74 74 25715 2 . GLU 75 75 25715 2 . LYS 76 76 25715 2 . ASP 77 77 25715 2 . GLU 78 78 25715 2 . TYR 79 79 25715 2 . ALA 80 80 25715 2 . CYS 81 81 25715 2 . ARG 82 82 25715 2 . VAL 83 83 25715 2 . ASN 84 84 25715 2 . HIS 85 85 25715 2 . VAL 86 86 25715 2 . THR 87 87 25715 2 . LEU 88 88 25715 2 . SER 89 89 25715 2 . GLN 90 90 25715 2 . PRO 91 91 25715 2 . LYS 92 92 25715 2 . ILE 93 93 25715 2 . VAL 94 94 25715 2 . LYS 95 95 25715 2 . TRP 96 96 25715 2 . ASP 97 97 25715 2 . ARG 98 98 25715 2 . ASP 99 99 25715 2 . MET 100 100 25715 2 stop_ save_ save_09t.TIS _Entity.Sf_category entity _Entity.Sf_framecode 09t.TIS _Entity.Entry_ID 25715 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name TIS _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RRLPIFSRL ; _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 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment 'this antigen is derived from epidermal growth factor response factor 1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1160.4475 _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 . ARG . 25715 3 2 . ARG . 25715 3 3 . LEU . 25715 3 4 . PRO . 25715 3 5 . ILE . 25715 3 6 . PHE . 25715 3 7 . SER . 25715 3 8 . ARG . 25715 3 9 . LEU . 25715 3 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 . ARG 1 1 25715 3 . ARG 2 2 25715 3 . LEU 3 3 25715 3 . PRO 4 4 25715 3 . ILE 5 5 25715 3 . PHE 6 6 25715 3 . SER 7 7 25715 3 . ARG 8 8 25715 3 . LEU 9 9 25715 3 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 25715 _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 $09t.hc . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . 2709 . . . . . . . . . HLA-B . 25715 1 2 2 $09t.b2m . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . B2M . 25715 1 3 3 $09t.TIS . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25715 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 25715 _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 $09t.hc . 'recombinant technology' 'Escherichia coli' undefined . . Escherichia coli BL21(DE3) Rosetta2 . plasmid . . 'pET 46 Ek/LIC' . . . 25715 1 2 2 $09t.b2m . 'recombinant technology' 'Escherichia coli' undefined . . Escherichia coli K12 Xa90 . plasmid . . pHN1+ . . . 25715 1 3 3 $09t.TIS . 'chemical synthesis' undefined undefined . . . . . . . 'chemical synthesis' . . 'chemical synthesis' . . . 25715 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_1 _Sample.Sf_category sample _Sample.Sf_framecode 1 _Sample.Entry_ID 25715 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 09t.TIS 'natural abundance' . . 3 $09t.TIS . . 0.33 . . mM . . . . 25715 1 2 09t.b2m 'natural abundance' . . 2 $09t.b2m . . 0.33 . . mM . . . . 25715 1 3 09t.hc '[U-13C; U-15N; U-2H]' . . 1 $09t.hc . . 0.33 . . mM . . . . 25715 1 4 'Sodium Phosphate' 'natural abundance' . . . . . . 10.00 . . mM . . . . 25715 1 5 'Sodium Chloride' 'natural abundance' . . . . . . 150.00 . . mM . . . . 25715 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25715 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25715 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition1 _Sample_condition_list.Entry_ID 25715 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.160 . M 25715 1 pH 7.500 . pH 25715 1 pressure 1.000 . atm 25715 1 temperature 310.000 . K 25715 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25715 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 25715 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignments 25715 1 stop_ save_ save_Topspin _Software.Sf_category software _Software.Sf_framecode Topspin _Software.Entry_ID 25715 _Software.ID 2 _Software.Name Topspin _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . http://www.bruker.com/ 25715 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 25715 2 stop_ save_ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 25715 _Software.ID 3 _Software.Name nmrDraw _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . http://spin.niddk.nih.gov/NMRPipe/ 25715 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum analysis' 25715 3 'Spectrum display' 25715 3 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 25715 _Software.ID 4 _Software.Name nmrPipe _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . http://spin.niddk.nih.gov/NMRPipe/ 25715 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 25715 4 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 25715 _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 25715 _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 . . . 25715 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 25715 _Experiment_list.ID 1 _Experiment_list.Details 'All experiments are TROSY-based.' 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 '3D HNCA' no . . . . . . . . . . 1 $1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25715 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25715 1 3 '3D HNCACB' no . . . . . . . . . . 1 $1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25715 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 1 $1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25715 1 5 '3D HNCO' no . . . . . . . . . . 1 $1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25715 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25715 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25715 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 25715 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.2514495300 . . . . . . . . . 25715 1 H 1 DSS 'methyl protons' . . . . ppm 0 external indirect 1 . . . . . . . . . 25715 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.1013291180 . . . . . . . . . 25715 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25715 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition1 _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 '3D HNCA' 1 $1 isotropic 25715 1 2 '3D HN(CO)CA' 1 $1 isotropic 25715 1 3 '3D HN(COCA)CB' 1 $1 isotropic 25715 1 4 '3D HNCACB' 1 $1 isotropic 25715 1 5 '3D HNCO' 1 $1 isotropic 25715 1 6 '3D HN(CA)CO' 1 $1 isotropic 25715 1 7 '2D 1H-15N HSQC' . . . 25715 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25715 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.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 10 10 ASP H H 1 8.477 . . 1 . 4900 . . -5 ASP H . 25715 1 2 . 1 1 10 10 ASP N N 15 124.318 . . 1 . 4901 . . -5 ASP N . 25715 1 3 . 1 1 11 11 ASP H H 1 8.269 0.011 . 1 . 2061 . . -4 ASP H . 25715 1 4 . 1 1 11 11 ASP N N 15 121.157 0.147 . 1 . 2062 . . -4 ASP N . 25715 1 5 . 1 1 12 12 ASP H H 1 8.329 0.004 . 1 . 2043 . . -3 ASP H . 25715 1 6 . 1 1 12 12 ASP N N 15 121.027 0.037 . 1 . 2044 . . -3 ASP N . 25715 1 7 . 1 1 13 13 ASP H H 1 8.265 0.004 . 1 . 2045 . . -2 ASP H . 25715 1 8 . 1 1 13 13 ASP C C 13 176.457 0.01 . 1 . 3099 . . -2 ASP C . 25715 1 9 . 1 1 13 13 ASP CA C 13 54.285 0.008 . 1 . 2685 . . -2 ASP CA . 25715 1 10 . 1 1 13 13 ASP CB C 13 40.436 . . 1 . 2686 . . -2 ASP CB . 25715 1 11 . 1 1 13 13 ASP N N 15 121.069 0.053 . 1 . 2046 . . -2 ASP N . 25715 1 12 . 1 1 14 14 LYS H H 1 8.148 0.004 . 1 . 2059 . . -1 LYS H . 25715 1 13 . 1 1 14 14 LYS C C 13 176.993 . . 1 . 3068 . . -1 LYS C . 25715 1 14 . 1 1 14 14 LYS CA C 13 55.944 0.017 . 1 . 2684 . . -1 LYS CA . 25715 1 15 . 1 1 14 14 LYS CB C 13 31.963 0.004 . 1 . 2687 . . -1 LYS CB . 25715 1 16 . 1 1 14 14 LYS N N 15 121.494 0.015 . 1 . 2060 . . -1 LYS N . 25715 1 17 . 1 1 15 15 ILE H H 1 8.016 0.004 . 1 . 2083 . . 0 ILE H . 25715 1 18 . 1 1 15 15 ILE C C 13 177.005 0.017 . 1 . 2943 . . 0 ILE C . 25715 1 19 . 1 1 15 15 ILE CA C 13 61.515 0.057 . 1 . 2453 . . 0 ILE CA . 25715 1 20 . 1 1 15 15 ILE CB C 13 37.731 0.034 . 1 . 2455 . . 0 ILE CB . 25715 1 21 . 1 1 15 15 ILE N N 15 122.322 0.036 . 1 . 2084 . . 0 ILE N . 25715 1 22 . 1 1 16 16 GLY H H 1 8.526 0.004 . 1 . 1857 . . 1 GLY H . 25715 1 23 . 1 1 16 16 GLY C C 13 173.283 0.003 . 1 . 2957 . . 1 GLY C . 25715 1 24 . 1 1 16 16 GLY CA C 13 45.308 0.001 . 1 . 2454 . . 1 GLY CA . 25715 1 25 . 1 1 16 16 GLY N N 15 113.507 0.021 . 1 . 1858 . . 1 GLY N . 25715 1 26 . 1 1 17 17 SER H H 1 7.758 0.003 . 1 . 2201 . . 2 SER H . 25715 1 27 . 1 1 17 17 SER C C 13 173.719 0.021 . 1 . 3066 . . 2 SER C . 25715 1 28 . 1 1 17 17 SER CA C 13 57.545 0.024 . 1 . 2579 . . 2 SER CA . 25715 1 29 . 1 1 17 17 SER CB C 13 64.436 0.029 . 1 . 2578 . . 2 SER CB . 25715 1 30 . 1 1 17 17 SER N N 15 115.064 0.011 . 1 . 2202 . . 2 SER N . 25715 1 31 . 1 1 18 18 HIS H H 1 8.504 0.004 . 1 . 1945 . . 3 HIS H . 25715 1 32 . 1 1 18 18 HIS C C 13 173.719 0.043 . 1 . 2942 . . 3 HIS C . 25715 1 33 . 1 1 18 18 HIS CA C 13 54.670 0.007 . 1 . 2469 . . 3 HIS CA . 25715 1 34 . 1 1 18 18 HIS CB C 13 34.351 0.02 . 1 . 2470 . . 3 HIS CB . 25715 1 35 . 1 1 18 18 HIS N N 15 117.238 0.019 . 1 . 1946 . . 3 HIS N . 25715 1 36 . 1 1 19 19 SER H H 1 9.485 0.004 . 1 . 1867 . . 4 SER H . 25715 1 37 . 1 1 19 19 SER C C 13 173.139 0.001 . 1 . 2999 . . 4 SER C . 25715 1 38 . 1 1 19 19 SER CA C 13 57.031 0.03 . 1 . 2468 . . 4 SER CA . 25715 1 39 . 1 1 19 19 SER CB C 13 67.208 0.041 . 1 . 2467 . . 4 SER CB . 25715 1 40 . 1 1 19 19 SER N N 15 116.075 0.02 . 1 . 1868 . . 4 SER N . 25715 1 41 . 1 1 20 20 MET H H 1 9.157 0.002 . 1 . 2255 . . 5 MET H . 25715 1 42 . 1 1 20 20 MET C C 13 175.695 0.031 . 1 . 2965 . . 5 MET C . 25715 1 43 . 1 1 20 20 MET CA C 13 54.969 0.028 . 1 . 2824 . . 5 MET CA . 25715 1 44 . 1 1 20 20 MET CB C 13 38.113 0.001 . 1 . 2825 . . 5 MET CB . 25715 1 45 . 1 1 20 20 MET N N 15 124.662 0.082 . 1 . 2256 . . 5 MET N . 25715 1 46 . 1 1 21 21 ARG H H 1 9.075 0.003 . 1 . 1985 . . 6 ARG H . 25715 1 47 . 1 1 21 21 ARG C C 13 173.758 0.015 . 1 . 2973 . . 6 ARG C . 25715 1 48 . 1 1 21 21 ARG CA C 13 54.065 0.035 . 1 . 2594 . . 6 ARG CA . 25715 1 49 . 1 1 21 21 ARG CB C 13 35.931 0.075 . 1 . 2596 . . 6 ARG CB . 25715 1 50 . 1 1 21 21 ARG N N 15 125.007 0.054 . 1 . 1986 . . 6 ARG N . 25715 1 51 . 1 1 22 22 TYR H H 1 8.588 0.005 . 1 . 1959 . . 7 TYR H . 25715 1 52 . 1 1 22 22 TYR C C 13 174.518 0.006 . 1 . 3062 . . 7 TYR C . 25715 1 53 . 1 1 22 22 TYR CA C 13 57.731 0.034 . 1 . 2593 . . 7 TYR CA . 25715 1 54 . 1 1 22 22 TYR CB C 13 40.632 0.015 . 1 . 2595 . . 7 TYR CB . 25715 1 55 . 1 1 22 22 TYR N N 15 118.952 0.058 . 1 . 1960 . . 7 TYR N . 25715 1 56 . 1 1 23 23 PHE H H 1 8.929 0.002 . 1 . 2279 . . 8 PHE H . 25715 1 57 . 1 1 23 23 PHE C C 13 177.420 . . 1 . 3125 . . 8 PHE C . 25715 1 58 . 1 1 23 23 PHE CA C 13 56.495 . . 1 . 2845 . . 8 PHE CA . 25715 1 59 . 1 1 23 23 PHE CB C 13 40.372 . . 1 . 2846 . . 8 PHE CB . 25715 1 60 . 1 1 23 23 PHE N N 15 119.995 0.02 . 1 . 2280 . . 8 PHE N . 25715 1 61 . 1 1 24 24 HIS C C 13 173.749 . . 1 . 2996 . . 9 HIS C . 25715 1 62 . 1 1 24 24 HIS CA C 13 55.834 . . 1 . 2891 . . 9 HIS CA . 25715 1 63 . 1 1 24 24 HIS CB C 13 31.389 0.007 . 1 . 2839 . . 9 HIS CB . 25715 1 64 . 1 1 25 25 THR H H 1 9.036 0.005 . 1 . 2245 . . 10 THR H . 25715 1 65 . 1 1 25 25 THR C C 13 173.796 0.068 . 1 . 2904 . . 10 THR C . 25715 1 66 . 1 1 25 25 THR CA C 13 63.696 0.018 . 1 . 2638 . . 10 THR CA . 25715 1 67 . 1 1 25 25 THR CB C 13 71.084 0.014 . 1 . 2636 . . 10 THR CB . 25715 1 68 . 1 1 25 25 THR N N 15 122.547 0.049 . 1 . 2246 . . 10 THR N . 25715 1 69 . 1 1 26 26 SER H H 1 9.474 0.017 . 1 . 2001 . . 11 SER H . 25715 1 70 . 1 1 26 26 SER C C 13 173.935 0.03 . 1 . 3004 . . 11 SER C . 25715 1 71 . 1 1 26 26 SER CA C 13 58.597 0.012 . 1 . 2623 . . 11 SER CA . 25715 1 72 . 1 1 26 26 SER CB C 13 65.578 0.003 . 1 . 2637 . . 11 SER CB . 25715 1 73 . 1 1 26 26 SER N N 15 123.541 0.03 . 1 . 2002 . . 11 SER N . 25715 1 74 . 1 1 27 27 VAL H H 1 8.996 0.006 . 1 . 1991 . . 12 VAL H . 25715 1 75 . 1 1 27 27 VAL C C 13 177.135 0.008 . 1 . 3048 . . 12 VAL C . 25715 1 76 . 1 1 27 27 VAL CA C 13 59.865 0.013 . 1 . 2622 . . 12 VAL CA . 25715 1 77 . 1 1 27 27 VAL CB C 13 34.512 0.008 . 1 . 2624 . . 12 VAL CB . 25715 1 78 . 1 1 27 27 VAL N N 15 124.435 0.049 . 1 . 1992 . . 12 VAL N . 25715 1 79 . 1 1 28 28 SER H H 1 9.431 0.002 . 1 . 2005 . . 13 SER H . 25715 1 80 . 1 1 28 28 SER C C 13 173.738 0.007 . 1 . 3058 . . 13 SER C . 25715 1 81 . 1 1 28 28 SER CA C 13 57.222 0.032 . 1 . 2640 . . 13 SER CA . 25715 1 82 . 1 1 28 28 SER CB C 13 64.605 0.046 . 1 . 2639 . . 13 SER CB . 25715 1 83 . 1 1 28 28 SER N N 15 122.158 0.025 . 1 . 2006 . . 13 SER N . 25715 1 84 . 1 1 29 29 ARG H H 1 9.657 0.01 . 1 . 1873 . . 14 ARG H . 25715 1 85 . 1 1 29 29 ARG C C 13 172.610 . . 1 . 3124 . . 14 ARG C . 25715 1 86 . 1 1 29 29 ARG CA C 13 52.764 . . 1 . 2478 . . 14 ARG CA . 25715 1 87 . 1 1 29 29 ARG CB C 13 29.923 . . 1 . 2477 . . 14 ARG CB . 25715 1 88 . 1 1 29 29 ARG N N 15 121.307 0.089 . 1 . 1874 . . 14 ARG N . 25715 1 89 . 1 1 30 30 PRO C C 13 176.106 0.064 . 1 . 3092 . . 15 PRO C . 25715 1 90 . 1 1 31 31 GLY H H 1 8.068 0.007 . 1 . 1821 . . 16 GLY H . 25715 1 91 . 1 1 31 31 GLY C C 13 174.004 0.001 . 1 . 3035 . . 16 GLY C . 25715 1 92 . 1 1 31 31 GLY CA C 13 44.665 0.041 . 1 . 2404 . . 16 GLY CA . 25715 1 93 . 1 1 31 31 GLY N N 15 107.967 0.061 . 1 . 1822 . . 16 GLY N . 25715 1 94 . 1 1 32 32 ARG H H 1 8.479 0.005 . 1 . 2049 . . 17 ARG H . 25715 1 95 . 1 1 32 32 ARG C C 13 174.405 0.0 . 1 . 3121 . . 17 ARG C . 25715 1 96 . 1 1 32 32 ARG CA C 13 59.128 . . 1 . 2671 . . 17 ARG CA . 25715 1 97 . 1 1 32 32 ARG CB C 13 28.178 . . 1 . 2672 . . 17 ARG CB . 25715 1 98 . 1 1 32 32 ARG N N 15 121.720 0.082 . 1 . 2050 . . 17 ARG N . 25715 1 99 . 1 1 33 33 GLY H H 1 8.779 0.001 . 1 . 2297 . . 18 GLY H . 25715 1 100 . 1 1 33 33 GLY C C 13 174.892 . . 1 . 4933 . . 18 GLY C . 25715 1 101 . 1 1 33 33 GLY CA C 13 45.476 . . 1 . 2874 . . 18 GLY CA . 25715 1 102 . 1 1 33 33 GLY N N 15 104.916 0.003 . 1 . 2298 . . 18 GLY N . 25715 1 103 . 1 1 34 34 GLU H H 1 8.497 0.006 . 1 . 2037 . . 19 GLU H . 25715 1 104 . 1 1 34 34 GLU C C 13 176.057 . . 1 . 3112 . . 19 GLU C . 25715 1 105 . 1 1 34 34 GLU CA C 13 55.174 . . 1 . 2665 . . 19 GLU CA . 25715 1 106 . 1 1 34 34 GLU CB C 13 30.530 . . 1 . 2666 . . 19 GLU CB . 25715 1 107 . 1 1 34 34 GLU N N 15 120.718 0.011 . 1 . 2038 . . 19 GLU N . 25715 1 108 . 1 1 35 35 PRO C C 13 176.622 0.007 . 1 . 3054 . . 20 PRO C . 25715 1 109 . 1 1 35 35 PRO CA C 13 63.729 0.016 . 1 . 2653 . . 20 PRO CA . 25715 1 110 . 1 1 35 35 PRO CB C 13 30.585 0.006 . 1 . 2654 . . 20 PRO CB . 25715 1 111 . 1 1 36 36 ARG H H 1 8.595 0.003 . 1 . 2015 . . 21 ARG H . 25715 1 112 . 1 1 36 36 ARG C C 13 174.788 0.004 . 1 . 2982 . . 21 ARG C . 25715 1 113 . 1 1 36 36 ARG CA C 13 55.795 0.032 . 1 . 2526 . . 21 ARG CA . 25715 1 114 . 1 1 36 36 ARG CB C 13 31.111 0.004 . 1 . 2525 . . 21 ARG CB . 25715 1 115 . 1 1 36 36 ARG N N 15 126.626 0.042 . 1 . 2016 . . 21 ARG N . 25715 1 116 . 1 1 37 37 PHE H H 1 9.235 0.002 . 1 . 1909 . . 22 PHE H . 25715 1 117 . 1 1 37 37 PHE C C 13 173.361 0.01 . 1 . 2939 . . 22 PHE C . 25715 1 118 . 1 1 37 37 PHE CA C 13 56.164 0.065 . 1 . 2523 . . 22 PHE CA . 25715 1 119 . 1 1 37 37 PHE CB C 13 42.016 0.012 . 1 . 2524 . . 22 PHE CB . 25715 1 120 . 1 1 37 37 PHE N N 15 130.972 0.033 . 1 . 1910 . . 22 PHE N . 25715 1 121 . 1 1 38 38 ILE H H 1 8.773 0.004 . 1 . 2017 . . 23 ILE H . 25715 1 122 . 1 1 38 38 ILE C C 13 176.182 0.011 . 1 . 3003 . . 23 ILE C . 25715 1 123 . 1 1 38 38 ILE CA C 13 59.062 0.028 . 1 . 2655 . . 23 ILE CA . 25715 1 124 . 1 1 38 38 ILE CB C 13 41.664 . . 1 . 2873 . . 23 ILE CB . 25715 1 125 . 1 1 38 38 ILE N N 15 125.701 0.04 . 1 . 2018 . . 23 ILE N . 25715 1 126 . 1 1 39 39 THR H H 1 9.305 0.004 . 1 . 2235 . . 24 THR H . 25715 1 127 . 1 1 39 39 THR C C 13 171.076 0.004 . 1 . 3017 . . 24 THR C . 25715 1 128 . 1 1 39 39 THR CA C 13 56.956 0.007 . 1 . 2841 . . 24 THR CA . 25715 1 129 . 1 1 39 39 THR CB C 13 69.291 0.043 . 1 . 2840 . . 24 THR CB . 25715 1 130 . 1 1 39 39 THR N N 15 122.931 0.11 . 1 . 2236 . . 24 THR N . 25715 1 131 . 1 1 40 40 VAL H H 1 8.073 0.007 . 1 . 2065 . . 25 VAL H . 25715 1 132 . 1 1 40 40 VAL C C 13 174.238 0.017 . 1 . 2985 . . 25 VAL C . 25715 1 133 . 1 1 40 40 VAL CA C 13 58.104 0.027 . 1 . 2399 . . 25 VAL CA . 25715 1 134 . 1 1 40 40 VAL CB C 13 35.039 0.04 . 1 . 2401 . . 25 VAL CB . 25715 1 135 . 1 1 40 40 VAL N N 15 120.006 0.083 . 1 . 2066 . . 25 VAL N . 25715 1 136 . 1 1 41 41 GLY H H 1 8.017 0.008 . 1 . 1817 . . 26 GLY H . 25715 1 137 . 1 1 41 41 GLY C C 13 171.878 0.016 . 1 . 3052 . . 26 GLY C . 25715 1 138 . 1 1 41 41 GLY CA C 13 44.638 0.016 . 1 . 2400 . . 26 GLY CA . 25715 1 139 . 1 1 41 41 GLY N N 15 108.960 0.04 . 1 . 1818 . . 26 GLY N . 25715 1 140 . 1 1 42 42 TYR H H 1 9.566 0.004 . 1 . 1893 . . 27 TYR H . 25715 1 141 . 1 1 42 42 TYR C C 13 176.930 0.001 . 1 . 2925 . . 27 TYR C . 25715 1 142 . 1 1 42 42 TYR CA C 13 57.489 0.034 . 1 . 2501 . . 27 TYR CA . 25715 1 143 . 1 1 42 42 TYR CB C 13 43.493 0.015 . 1 . 2502 . . 27 TYR CB . 25715 1 144 . 1 1 42 42 TYR N N 15 124.178 0.047 . 1 . 1894 . . 27 TYR N . 25715 1 145 . 1 1 43 43 VAL H H 1 8.955 0.004 . 1 . 2241 . . 28 VAL H . 25715 1 146 . 1 1 43 43 VAL C C 13 176.384 0.009 . 1 . 2983 . . 28 VAL C . 25715 1 147 . 1 1 43 43 VAL CA C 13 62.146 0.008 . 1 . 2518 . . 28 VAL CA . 25715 1 148 . 1 1 43 43 VAL CB C 13 32.333 0.079 . 1 . 2517 . . 28 VAL CB . 25715 1 149 . 1 1 43 43 VAL N N 15 122.543 0.064 . 1 . 2242 . . 28 VAL N . 25715 1 150 . 1 1 44 44 ASP H H 1 9.836 0.002 . 1 . 1903 . . 29 ASP H . 25715 1 151 . 1 1 44 44 ASP C C 13 175.829 0.019 . 1 . 3028 . . 29 ASP C . 25715 1 152 . 1 1 44 44 ASP CA C 13 55.954 0.048 . 1 . 2515 . . 29 ASP CA . 25715 1 153 . 1 1 44 44 ASP CB C 13 37.365 0.007 . 1 . 2516 . . 29 ASP CB . 25715 1 154 . 1 1 44 44 ASP N N 15 127.622 0.049 . 1 . 1904 . . 29 ASP N . 25715 1 155 . 1 1 45 45 ASP H H 1 6.950 0.008 . 1 . 2179 . . 30 ASP H . 25715 1 156 . 1 1 45 45 ASP C C 13 176.462 0.023 . 1 . 3097 . . 30 ASP C . 25715 1 157 . 1 1 45 45 ASP CA C 13 54.775 0.022 . 1 . 2860 . . 30 ASP CA . 25715 1 158 . 1 1 45 45 ASP CB C 13 43.059 0.035 . 1 . 2788 . . 30 ASP CB . 25715 1 159 . 1 1 45 45 ASP N N 15 120.428 0.045 . 1 . 2180 . . 30 ASP N . 25715 1 160 . 1 1 46 46 THR H H 1 9.732 0.005 . 1 . 1875 . . 31 THR H . 25715 1 161 . 1 1 46 46 THR C C 13 172.570 0.005 . 1 . 3059 . . 31 THR C . 25715 1 162 . 1 1 46 46 THR CA C 13 63.671 0.048 . 1 . 2480 . . 31 THR CA . 25715 1 163 . 1 1 46 46 THR CB C 13 70.302 0.066 . 1 . 2479 . . 31 THR CB . 25715 1 164 . 1 1 46 46 THR N N 15 121.323 0.028 . 1 . 1876 . . 31 THR N . 25715 1 165 . 1 1 47 47 LEU H H 1 8.703 0.004 . 1 . 1929 . . 32 LEU H . 25715 1 166 . 1 1 47 47 LEU C C 13 176.704 0.001 . 1 . 3051 . . 32 LEU C . 25715 1 167 . 1 1 47 47 LEU CA C 13 55.535 0.045 . 1 . 2551 . . 32 LEU CA . 25715 1 168 . 1 1 47 47 LEU CB C 13 41.343 0.036 . 1 . 2552 . . 32 LEU CB . 25715 1 169 . 1 1 47 47 LEU N N 15 134.826 0.048 . 1 . 1930 . . 32 LEU N . 25715 1 170 . 1 1 48 48 PHE H H 1 9.288 0.006 . 1 . 2237 . . 33 PHE H . 25715 1 171 . 1 1 48 48 PHE C C 13 174.717 0.016 . 1 . 4934 . . 33 PHE C . 25715 1 172 . 1 1 48 48 PHE CA C 13 56.821 . . 1 . 2886 . . 33 PHE CA . 25715 1 173 . 1 1 48 48 PHE CB C 13 43.901 0.009 . 1 . 2844 . . 33 PHE CB . 25715 1 174 . 1 1 48 48 PHE N N 15 122.552 0.081 . 1 . 2238 . . 33 PHE N . 25715 1 175 . 1 1 49 49 VAL H H 1 6.792 0.005 . 1 . 2191 . . 34 VAL H . 25715 1 176 . 1 1 49 49 VAL C C 13 174.867 0.036 . 1 . 2989 . . 34 VAL C . 25715 1 177 . 1 1 49 49 VAL CA C 13 59.742 0.031 . 1 . 2444 . . 34 VAL CA . 25715 1 178 . 1 1 49 49 VAL CB C 13 37.622 0.034 . 1 . 2446 . . 34 VAL CB . 25715 1 179 . 1 1 49 49 VAL N N 15 115.714 0.088 . 1 . 2192 . . 34 VAL N . 25715 1 180 . 1 1 50 50 ARG H H 1 8.377 0.003 . 1 . 1851 . . 35 ARG H . 25715 1 181 . 1 1 50 50 ARG C C 13 174.079 0.009 . 1 . 2915 . . 35 ARG C . 25715 1 182 . 1 1 50 50 ARG CA C 13 53.578 0.059 . 1 . 2445 . . 35 ARG CA . 25715 1 183 . 1 1 50 50 ARG CB C 13 32.788 0.032 . 1 . 2447 . . 35 ARG CB . 25715 1 184 . 1 1 50 50 ARG N N 15 114.599 0.059 . 1 . 1852 . . 35 ARG N . 25715 1 185 . 1 1 51 51 PHE H H 1 9.104 0.003 . 1 . 2251 . . 36 PHE H . 25715 1 186 . 1 1 51 51 PHE C C 13 172.454 0.015 . 1 . 3082 . . 36 PHE C . 25715 1 187 . 1 1 51 51 PHE CA C 13 57.737 0.016 . 1 . 2834 . . 36 PHE CA . 25715 1 188 . 1 1 51 51 PHE CB C 13 43.246 0.01 . 1 . 2833 . . 36 PHE CB . 25715 1 189 . 1 1 51 51 PHE N N 15 123.594 0.047 . 1 . 2252 . . 36 PHE N . 25715 1 190 . 1 1 52 52 ASP H H 1 8.024 0.003 . 1 . 1925 . . 37 ASP H . 25715 1 191 . 1 1 52 52 ASP C C 13 176.586 0.004 . 1 . 3025 . . 37 ASP C . 25715 1 192 . 1 1 52 52 ASP CA C 13 51.832 0.026 . 1 . 2489 . . 37 ASP CA . 25715 1 193 . 1 1 52 52 ASP CB C 13 43.348 0.01 . 1 . 2490 . . 37 ASP CB . 25715 1 194 . 1 1 52 52 ASP N N 15 129.401 0.049 . 1 . 1926 . . 37 ASP N . 25715 1 195 . 1 1 53 53 SER H H 1 9.798 0.004 . 1 . 1883 . . 38 SER H . 25715 1 196 . 1 1 53 53 SER C C 13 175.171 0.005 . 1 . 3131 . . 38 SER C . 25715 1 197 . 1 1 53 53 SER CA C 13 61.190 0.073 . 1 . 2488 . . 38 SER CA . 25715 1 198 . 1 1 53 53 SER CB C 13 62.869 0.03 . 1 . 2487 . . 38 SER CB . 25715 1 199 . 1 1 53 53 SER N N 15 122.835 0.068 . 1 . 1884 . . 38 SER N . 25715 1 200 . 1 1 54 54 ASP H H 1 8.781 0.005 . 1 . 2007 . . 39 ASP H . 25715 1 201 . 1 1 54 54 ASP C C 13 176.734 0.018 . 1 . 3071 . . 39 ASP C . 25715 1 202 . 1 1 54 54 ASP CA C 13 53.963 0.017 . 1 . 2641 . . 39 ASP CA . 25715 1 203 . 1 1 54 54 ASP CB C 13 39.664 0.007 . 1 . 2642 . . 39 ASP CB . 25715 1 204 . 1 1 54 54 ASP N N 15 123.521 0.044 . 1 . 2008 . . 39 ASP N . 25715 1 205 . 1 1 55 55 ALA H H 1 7.662 0.001 . 1 . 2109 . . 40 ALA H . 25715 1 206 . 1 1 55 55 ALA CA C 13 51.799 . . 1 . 2728 . . 40 ALA CA . 25715 1 207 . 1 1 55 55 ALA CB C 13 19.172 . . 1 . 2729 . . 40 ALA CB . 25715 1 208 . 1 1 55 55 ALA N N 15 124.483 0.011 . 1 . 2110 . . 40 ALA N . 25715 1 209 . 1 1 56 56 ALA H H 1 8.384 0.01 . 1 . 2057 . . 41 ALA H . 25715 1 210 . 1 1 56 56 ALA C C 13 179.253 0.016 . 1 . 3019 . . 41 ALA C . 25715 1 211 . 1 1 56 56 ALA CA C 13 54.213 . . 1 . 2879 . . 41 ALA CA . 25715 1 212 . 1 1 56 56 ALA CB C 13 17.611 0.042 . 1 . 2872 . . 41 ALA CB . 25715 1 213 . 1 1 56 56 ALA N N 15 123.457 0.101 . 1 . 2058 . . 41 ALA N . 25715 1 214 . 1 1 57 57 SER H H 1 8.173 0.008 . 1 . 1849 . . 42 SER H . 25715 1 215 . 1 1 57 57 SER CA C 13 54.503 . . 1 . 2443 . . 42 SER CA . 25715 1 216 . 1 1 57 57 SER CB C 13 62.513 . . 1 . 2442 . . 42 SER CB . 25715 1 217 . 1 1 57 57 SER N N 15 111.922 0.032 . 1 . 1850 . . 42 SER N . 25715 1 218 . 1 1 62 62 PRO C C 13 179.039 . . 1 . 4935 . . 47 PRO C . 25715 1 219 . 1 1 63 63 ARG H H 1 8.408 0.01 . 1 . 2271 . . 48 ARG H . 25715 1 220 . 1 1 63 63 ARG C C 13 173.782 0.009 . 1 . 3073 . . 48 ARG C . 25715 1 221 . 1 1 63 63 ARG CA C 13 52.832 0.036 . 1 . 2829 . . 48 ARG CA . 25715 1 222 . 1 1 63 63 ARG CB C 13 32.119 0.014 . 1 . 2830 . . 48 ARG CB . 25715 1 223 . 1 1 63 63 ARG N N 15 119.121 0.036 . 1 . 2272 . . 48 ARG N . 25715 1 224 . 1 1 64 64 ALA H H 1 7.051 0.005 . 1 . 2177 . . 49 ALA H . 25715 1 225 . 1 1 64 64 ALA C C 13 176.688 . . 1 . 3127 . . 49 ALA C . 25715 1 226 . 1 1 64 64 ALA CA C 13 49.226 . . 1 . 2786 . . 49 ALA CA . 25715 1 227 . 1 1 64 64 ALA CB C 13 19.073 . . 1 . 2787 . . 49 ALA CB . 25715 1 228 . 1 1 64 64 ALA N N 15 120.324 0.037 . 1 . 2178 . . 49 ALA N . 25715 1 229 . 1 1 65 65 PRO C C 13 178.708 . . 1 . 2968 . . 50 PRO C . 25715 1 230 . 1 1 65 65 PRO CA C 13 64.749 . . 1 . 2887 . . 50 PRO CA . 25715 1 231 . 1 1 65 65 PRO CB C 13 31.153 . . 1 . 2888 . . 50 PRO CB . 25715 1 232 . 1 1 66 66 TRP H H 1 6.587 0.003 . 1 . 2197 . . 51 TRP H . 25715 1 233 . 1 1 66 66 TRP C C 13 177.608 0.016 . 1 . 2898 . . 51 TRP C . 25715 1 234 . 1 1 66 66 TRP CA C 13 55.080 0.031 . 1 . 2802 . . 51 TRP CA . 25715 1 235 . 1 1 66 66 TRP CB C 13 27.721 0.044 . 1 . 2803 . . 51 TRP CB . 25715 1 236 . 1 1 66 66 TRP N N 15 111.815 0.027 . 1 . 2198 . . 51 TRP N . 25715 1 237 . 1 1 67 67 ILE H H 1 6.696 0.002 . 1 . 2185 . . 52 ILE H . 25715 1 238 . 1 1 67 67 ILE C C 13 176.538 0.002 . 1 . 3024 . . 52 ILE C . 25715 1 239 . 1 1 67 67 ILE CA C 13 57.064 0.015 . 1 . 2794 . . 52 ILE CA . 25715 1 240 . 1 1 67 67 ILE CB C 13 39.780 0.027 . 1 . 2795 . . 52 ILE CB . 25715 1 241 . 1 1 67 67 ILE N N 15 120.958 0.021 . 1 . 2186 . . 52 ILE N . 25715 1 242 . 1 1 68 68 GLU H H 1 7.370 0.001 . 1 . 2101 . . 53 GLU H . 25715 1 243 . 1 1 68 68 GLU C C 13 176.784 0.011 . 1 . 2945 . . 53 GLU C . 25715 1 244 . 1 1 68 68 GLU CA C 13 58.950 0.018 . 1 . 2719 . . 53 GLU CA . 25715 1 245 . 1 1 68 68 GLU CB C 13 29.060 0.014 . 1 . 2720 . . 53 GLU CB . 25715 1 246 . 1 1 68 68 GLU N N 15 122.090 0.018 . 1 . 2102 . . 53 GLU N . 25715 1 247 . 1 1 69 69 GLN H H 1 7.482 0.001 . 1 . 2209 . . 54 GLN H . 25715 1 248 . 1 1 69 69 GLN C C 13 177.324 0.01 . 1 . 2984 . . 54 GLN C . 25715 1 249 . 1 1 69 69 GLN CA C 13 56.184 0.007 . 1 . 2810 . . 54 GLN CA . 25715 1 250 . 1 1 69 69 GLN CB C 13 28.435 0.072 . 1 . 2741 . . 54 GLN CB . 25715 1 251 . 1 1 69 69 GLN N N 15 113.115 0.018 . 1 . 2210 . . 54 GLN N . 25715 1 252 . 1 1 70 70 GLU H H 1 7.764 0.004 . 1 . 2133 . . 55 GLU H . 25715 1 253 . 1 1 70 70 GLU C C 13 178.299 0.011 . 1 . 3093 . . 55 GLU C . 25715 1 254 . 1 1 70 70 GLU CA C 13 56.564 0.018 . 1 . 2409 . . 55 GLU CA . 25715 1 255 . 1 1 70 70 GLU CB C 13 28.572 0.003 . 1 . 2411 . . 55 GLU CB . 25715 1 256 . 1 1 70 70 GLU N N 15 121.037 0.024 . 1 . 2134 . . 55 GLU N . 25715 1 257 . 1 1 71 71 GLY H H 1 8.810 0.005 . 1 . 1827 . . 56 GLY H . 25715 1 258 . 1 1 71 71 GLY C C 13 172.686 . . 1 . 3129 . . 56 GLY C . 25715 1 259 . 1 1 71 71 GLY CA C 13 44.981 . . 1 . 2410 . . 56 GLY CA . 25715 1 260 . 1 1 71 71 GLY N N 15 109.268 0.019 . 1 . 1828 . . 56 GLY N . 25715 1 261 . 1 1 72 72 PRO C C 13 178.969 0.003 . 1 . 3057 . . 57 PRO C . 25715 1 262 . 1 1 72 72 PRO CA C 13 65.612 0.056 . 1 . 2460 . . 57 PRO CA . 25715 1 263 . 1 1 73 73 GLU H H 1 9.334 0.003 . 1 . 1861 . . 58 GLU H . 25715 1 264 . 1 1 73 73 GLU C C 13 179.596 0.025 . 1 . 2916 . . 58 GLU C . 25715 1 265 . 1 1 73 73 GLU CA C 13 59.288 0.037 . 1 . 2461 . . 58 GLU CA . 25715 1 266 . 1 1 73 73 GLU CB C 13 27.669 0.042 . 1 . 2462 . . 58 GLU CB . 25715 1 267 . 1 1 73 73 GLU N N 15 117.904 0.022 . 1 . 1862 . . 58 GLU N . 25715 1 268 . 1 1 74 74 TYR H H 1 7.994 0.003 . 1 . 2091 . . 59 TYR H . 25715 1 269 . 1 1 74 74 TYR C C 13 177.295 0.013 . 1 . 3056 . . 59 TYR C . 25715 1 270 . 1 1 74 74 TYR CA C 13 60.866 0.027 . 1 . 2710 . . 59 TYR CA . 25715 1 271 . 1 1 74 74 TYR CB C 13 38.133 0.003 . 1 . 2709 . . 59 TYR CB . 25715 1 272 . 1 1 74 74 TYR N N 15 124.313 0.039 . 1 . 2092 . . 59 TYR N . 25715 1 273 . 1 1 75 75 TRP H H 1 7.109 0.002 . 1 . 2183 . . 60 TRP H . 25715 1 274 . 1 1 75 75 TRP C C 13 179.810 0.015 . 1 . 3123 . . 60 TRP C . 25715 1 275 . 1 1 75 75 TRP CA C 13 58.640 0.006 . 1 . 2792 . . 60 TRP CA . 25715 1 276 . 1 1 75 75 TRP CB C 13 28.953 0.009 . 1 . 2793 . . 60 TRP CB . 25715 1 277 . 1 1 75 75 TRP N N 15 120.729 0.016 . 1 . 2184 . . 60 TRP N . 25715 1 278 . 1 1 76 76 ASP H H 1 8.928 0.005 . 1 . 2243 . . 61 ASP H . 25715 1 279 . 1 1 76 76 ASP C C 13 178.486 0.016 . 1 . 2917 . . 61 ASP C . 25715 1 280 . 1 1 76 76 ASP CA C 13 57.591 0.049 . 1 . 2870 . . 61 ASP CA . 25715 1 281 . 1 1 76 76 ASP CB C 13 40.440 0.029 . 1 . 2871 . . 61 ASP CB . 25715 1 282 . 1 1 76 76 ASP N N 15 122.599 0.069 . 1 . 2244 . . 61 ASP N . 25715 1 283 . 1 1 77 77 ARG H H 1 7.747 0.007 . 1 . 2097 . . 62 ARG H . 25715 1 284 . 1 1 77 77 ARG C C 13 178.977 0.035 . 1 . 4936 . . 62 ARG C . 25715 1 285 . 1 1 77 77 ARG CA C 13 59.271 . . 1 . 2713 . . 62 ARG CA . 25715 1 286 . 1 1 77 77 ARG CB C 13 28.859 . . 1 . 2714 . . 62 ARG CB . 25715 1 287 . 1 1 77 77 ARG N N 15 122.235 0.102 . 1 . 2098 . . 62 ARG N . 25715 1 288 . 1 1 78 78 GLU H H 1 8.384 0.008 . 1 . 2285 . . 63 GLU H . 25715 1 289 . 1 1 78 78 GLU C C 13 179.757 . . 1 . 3132 . . 63 GLU C . 25715 1 290 . 1 1 78 78 GLU CA C 13 58.850 . . 1 . 2583 . . 63 GLU CA . 25715 1 291 . 1 1 78 78 GLU CB C 13 30.303 . . 1 . 2866 . . 63 GLU CB . 25715 1 292 . 1 1 78 78 GLU N N 15 117.899 0.028 . 1 . 2286 . . 63 GLU N . 25715 1 293 . 1 1 79 79 THR C C 13 175.605 . . 1 . 2994 . . 64 THR C . 25715 1 294 . 1 1 79 79 THR CA C 13 68.665 0.028 . 1 . 2843 . . 64 THR CA . 25715 1 295 . 1 1 80 80 GLN H H 1 8.158 0.01 . 1 . 2263 . . 65 GLN H . 25715 1 296 . 1 1 80 80 GLN C C 13 179.722 0.028 . 1 . 2921 . . 65 GLN C . 25715 1 297 . 1 1 80 80 GLN CA C 13 59.198 0.066 . 1 . 2831 . . 65 GLN CA . 25715 1 298 . 1 1 80 80 GLN CB C 13 27.294 0.0 . 1 . 2842 . . 65 GLN CB . 25715 1 299 . 1 1 80 80 GLN N N 15 121.737 0.078 . 1 . 2264 . . 65 GLN N . 25715 1 300 . 1 1 81 81 ILE H H 1 8.207 0.007 . 1 . 2261 . . 66 ILE H . 25715 1 301 . 1 1 81 81 ILE C C 13 177.671 0.005 . 1 . 2934 . . 66 ILE C . 25715 1 302 . 1 1 81 81 ILE CA C 13 65.443 0.014 . 1 . 2847 . . 66 ILE CA . 25715 1 303 . 1 1 81 81 ILE CB C 13 36.812 0.017 . 1 . 2832 . . 66 ILE CB . 25715 1 304 . 1 1 81 81 ILE N N 15 122.104 0.033 . 1 . 2262 . . 66 ILE N . 25715 1 305 . 1 1 82 82 CYS H H 1 8.199 0.006 . 1 . 2265 . . 67 CYS H . 25715 1 306 . 1 1 82 82 CYS C C 13 176.288 0.004 . 1 . 3027 . . 67 CYS C . 25715 1 307 . 1 1 82 82 CYS CA C 13 65.546 . . 1 . 2884 . . 67 CYS CA . 25715 1 308 . 1 1 82 82 CYS CB C 13 25.418 0.025 . 1 . 2753 . . 67 CYS CB . 25715 1 309 . 1 1 82 82 CYS N N 15 118.674 0.09 . 1 . 2266 . . 67 CYS N . 25715 1 310 . 1 1 83 83 LYS H H 1 8.093 0.004 . 1 . 2141 . . 68 LYS H . 25715 1 311 . 1 1 83 83 LYS C C 13 179.548 0.025 . 1 . 2964 . . 68 LYS C . 25715 1 312 . 1 1 83 83 LYS CA C 13 59.719 0.059 . 1 . 2751 . . 68 LYS CA . 25715 1 313 . 1 1 83 83 LYS CB C 13 31.844 0.021 . 1 . 2752 . . 68 LYS CB . 25715 1 314 . 1 1 83 83 LYS N N 15 117.444 0.032 . 1 . 2142 . . 68 LYS N . 25715 1 315 . 1 1 84 84 ALA H H 1 7.942 0.014 . 1 . 2093 . . 69 ALA H . 25715 1 316 . 1 1 84 84 ALA C C 13 180.695 0.005 . 1 . 3005 . . 69 ALA C . 25715 1 317 . 1 1 84 84 ALA CA C 13 54.425 . . 1 . 2707 . . 69 ALA CA . 25715 1 318 . 1 1 84 84 ALA CB C 13 17.367 0.039 . 1 . 2862 . . 69 ALA CB . 25715 1 319 . 1 1 84 84 ALA N N 15 123.825 0.029 . 1 . 2094 . . 69 ALA N . 25715 1 320 . 1 1 85 85 LYS H H 1 8.875 0.003 . 1 . 2253 . . 70 LYS H . 25715 1 321 . 1 1 85 85 LYS C C 13 177.469 0.002 . 1 . 3105 . . 70 LYS C . 25715 1 322 . 1 1 85 85 LYS CA C 13 57.646 0.049 . 1 . 2827 . . 70 LYS CA . 25715 1 323 . 1 1 85 85 LYS CB C 13 29.813 0.044 . 1 . 2828 . . 70 LYS CB . 25715 1 324 . 1 1 85 85 LYS N N 15 124.836 0.045 . 1 . 2254 . . 70 LYS N . 25715 1 325 . 1 1 86 86 ALA H H 1 7.870 0.011 . 1 . 2293 . . 71 ALA H . 25715 1 326 . 1 1 86 86 ALA C C 13 181.193 0.018 . 1 . 3067 . . 71 ALA C . 25715 1 327 . 1 1 86 86 ALA CA C 13 54.933 0.006 . 1 . 2863 . . 71 ALA CA . 25715 1 328 . 1 1 86 86 ALA CB C 13 16.635 0.016 . 1 . 2823 . . 71 ALA CB . 25715 1 329 . 1 1 86 86 ALA N N 15 122.902 0.056 . 1 . 2294 . . 71 ALA N . 25715 1 330 . 1 1 87 87 GLN H H 1 7.379 0.004 . 1 . 2163 . . 72 GLN H . 25715 1 331 . 1 1 87 87 GLN C C 13 178.521 0.015 . 1 . 3029 . . 72 GLN C . 25715 1 332 . 1 1 87 87 GLN CA C 13 58.567 0.009 . 1 . 2774 . . 72 GLN CA . 25715 1 333 . 1 1 87 87 GLN CB C 13 27.526 0.002 . 1 . 2775 . . 72 GLN CB . 25715 1 334 . 1 1 87 87 GLN N N 15 116.643 0.027 . 1 . 2164 . . 72 GLN N . 25715 1 335 . 1 1 88 88 THR H H 1 8.214 0.003 . 1 . 2269 . . 73 THR H . 25715 1 336 . 1 1 88 88 THR C C 13 176.418 0.066 . 1 . 2941 . . 73 THR C . 25715 1 337 . 1 1 88 88 THR CA C 13 67.192 0.001 . 1 . 2867 . . 73 THR CA . 25715 1 338 . 1 1 88 88 THR CB C 13 67.871 . . 1 . 2882 . . 73 THR CB . 25715 1 339 . 1 1 88 88 THR N N 15 119.203 0.028 . 1 . 2270 . . 73 THR N . 25715 1 340 . 1 1 89 89 ASP H H 1 8.873 0.02 . 1 . 1999 . . 74 ASP H . 25715 1 341 . 1 1 89 89 ASP C C 13 178.772 0.005 . 1 . 3065 . . 74 ASP C . 25715 1 342 . 1 1 89 89 ASP CA C 13 57.013 0.017 . 1 . 2634 . . 74 ASP CA . 25715 1 343 . 1 1 89 89 ASP CB C 13 39.585 0.041 . 1 . 2635 . . 74 ASP CB . 25715 1 344 . 1 1 89 89 ASP N N 15 123.430 0.16 . 1 . 2000 . . 74 ASP N . 25715 1 345 . 1 1 90 90 ARG H H 1 7.712 0.001 . 1 . 2275 . . 75 ARG H . 25715 1 346 . 1 1 90 90 ARG C C 13 179.714 0.015 . 1 . 2977 . . 75 ARG C . 25715 1 347 . 1 1 90 90 ARG CA C 13 60.137 0.008 . 1 . 2745 . . 75 ARG CA . 25715 1 348 . 1 1 90 90 ARG CB C 13 29.151 0.069 . 1 . 2746 . . 75 ARG CB . 25715 1 349 . 1 1 90 90 ARG N N 15 118.760 0.032 . 1 . 2276 . . 75 ARG N . 25715 1 350 . 1 1 91 91 GLU H H 1 7.575 0.004 . 1 . 2137 . . 76 GLU H . 25715 1 351 . 1 1 91 91 GLU C C 13 179.222 0.019 . 1 . 3038 . . 76 GLU C . 25715 1 352 . 1 1 91 91 GLU CA C 13 58.582 0.034 . 1 . 2628 . . 76 GLU CA . 25715 1 353 . 1 1 91 91 GLU CB C 13 28.196 0.021 . 1 . 2630 . . 76 GLU CB . 25715 1 354 . 1 1 91 91 GLU N N 15 120.357 0.03 . 1 . 2138 . . 76 GLU N . 25715 1 355 . 1 1 92 92 ASP H H 1 9.113 0.004 . 1 . 1995 . . 77 ASP H . 25715 1 356 . 1 1 92 92 ASP C C 13 178.788 0.008 . 1 . 3008 . . 77 ASP C . 25715 1 357 . 1 1 92 92 ASP CA C 13 57.576 0.041 . 1 . 2631 . . 77 ASP CA . 25715 1 358 . 1 1 92 92 ASP CB C 13 40.607 0.023 . 1 . 2629 . . 77 ASP CB . 25715 1 359 . 1 1 92 92 ASP N N 15 123.897 0.075 . 1 . 1996 . . 77 ASP N . 25715 1 360 . 1 1 93 93 LEU H H 1 8.705 0.025 . 1 . 1975 . . 78 LEU H . 25715 1 361 . 1 1 93 93 LEU C C 13 180.317 0.005 . 1 . 2938 . . 78 LEU C . 25715 1 362 . 1 1 93 93 LEU CA C 13 58.500 0.02 . 1 . 2610 . . 78 LEU CA . 25715 1 363 . 1 1 93 93 LEU CB C 13 41.344 0.069 . 1 . 2611 . . 78 LEU CB . 25715 1 364 . 1 1 93 93 LEU N N 15 120.411 0.077 . 1 . 1976 . . 78 LEU N . 25715 1 365 . 1 1 94 94 ARG H H 1 7.174 0.004 . 1 . 2175 . . 79 ARG H . 25715 1 366 . 1 1 94 94 ARG C C 13 179.504 0.015 . 1 . 3034 . . 79 ARG C . 25715 1 367 . 1 1 94 94 ARG CA C 13 59.147 0.042 . 1 . 2785 . . 79 ARG CA . 25715 1 368 . 1 1 94 94 ARG CB C 13 28.517 0.022 . 1 . 2784 . . 79 ARG CB . 25715 1 369 . 1 1 94 94 ARG N N 15 119.299 0.027 . 1 . 2176 . . 79 ARG N . 25715 1 370 . 1 1 95 95 THR H H 1 8.465 0.003 . 1 . 2289 . . 80 THR H . 25715 1 371 . 1 1 95 95 THR C C 13 176.084 . . 1 . 4937 . . 80 THR C . 25715 1 372 . 1 1 95 95 THR CA C 13 65.721 0.082 . 1 . 2670 . . 80 THR CA . 25715 1 373 . 1 1 95 95 THR CB C 13 67.546 0.021 . 1 . 2865 . . 80 THR CB . 25715 1 374 . 1 1 95 95 THR N N 15 121.611 0.021 . 1 . 2290 . . 80 THR N . 25715 1 375 . 1 1 96 96 LEU H H 1 8.226 0.003 . 1 . 2259 . . 81 LEU H . 25715 1 376 . 1 1 96 96 LEU C C 13 178.692 0.004 . 1 . 2978 . . 81 LEU C . 25715 1 377 . 1 1 96 96 LEU CA C 13 58.398 0.018 . 1 . 2851 . . 81 LEU CA . 25715 1 378 . 1 1 96 96 LEU CB C 13 39.806 0.011 . 1 . 2852 . . 81 LEU CB . 25715 1 379 . 1 1 96 96 LEU N N 15 122.025 0.03 . 1 . 2260 . . 81 LEU N . 25715 1 380 . 1 1 97 97 LEU H H 1 7.160 0.006 . 1 . 2161 . . 82 LEU H . 25715 1 381 . 1 1 97 97 LEU C C 13 180.580 . . 1 . 2986 . . 82 LEU C . 25715 1 382 . 1 1 97 97 LEU CA C 13 58.049 0.007 . 1 . 2876 . . 82 LEU CA . 25715 1 383 . 1 1 97 97 LEU CB C 13 40.714 0.015 . 1 . 2773 . . 82 LEU CB . 25715 1 384 . 1 1 97 97 LEU N N 15 117.040 0.056 . 1 . 2162 . . 82 LEU N . 25715 1 385 . 1 1 98 98 ARG H H 1 7.183 0.006 . 1 . 2159 . . 83 ARG H . 25715 1 386 . 1 1 98 98 ARG C C 13 180.804 0.016 . 1 . 3047 . . 83 ARG C . 25715 1 387 . 1 1 98 98 ARG CA C 13 58.328 0.003 . 1 . 2772 . . 83 ARG CA . 25715 1 388 . 1 1 98 98 ARG CB C 13 28.729 0.019 . 1 . 2771 . . 83 ARG CB . 25715 1 389 . 1 1 98 98 ARG N N 15 117.254 0.037 . 1 . 2160 . . 83 ARG N . 25715 1 390 . 1 1 99 99 TYR H H 1 8.664 0.003 . 1 . 2031 . . 84 TYR H . 25715 1 391 . 1 1 99 99 TYR C C 13 179.236 0.001 . 1 . 2896 . . 84 TYR C . 25715 1 392 . 1 1 99 99 TYR CA C 13 57.189 0.064 . 1 . 2439 . . 84 TYR CA . 25715 1 393 . 1 1 99 99 TYR CB C 13 36.296 0.018 . 1 . 2441 . . 84 TYR CB . 25715 1 394 . 1 1 99 99 TYR N N 15 120.889 0.032 . 1 . 2032 . . 84 TYR N . 25715 1 395 . 1 1 100 100 TYR H H 1 8.112 0.003 . 1 . 1847 . . 85 TYR H . 25715 1 396 . 1 1 100 100 TYR C C 13 175.166 0.006 . 1 . 2961 . . 85 TYR C . 25715 1 397 . 1 1 100 100 TYR CA C 13 59.180 0.052 . 1 . 2438 . . 85 TYR CA . 25715 1 398 . 1 1 100 100 TYR CB C 13 37.282 0.062 . 1 . 2440 . . 85 TYR CB . 25715 1 399 . 1 1 100 100 TYR N N 15 113.573 0.02 . 1 . 1848 . . 85 TYR N . 25715 1 400 . 1 1 101 101 ASN H H 1 7.952 0.003 . 1 . 2079 . . 86 ASN H . 25715 1 401 . 1 1 101 101 ASN C C 13 174.902 0.012 . 1 . 2905 . . 86 ASN C . 25715 1 402 . 1 1 101 101 ASN CA C 13 54.274 0.016 . 1 . 2564 . . 86 ASN CA . 25715 1 403 . 1 1 101 101 ASN CB C 13 36.798 0.012 . 1 . 2562 . . 86 ASN CB . 25715 1 404 . 1 1 101 101 ASN N N 15 121.272 0.023 . 1 . 2080 . . 86 ASN N . 25715 1 405 . 1 1 102 102 GLN H H 1 8.954 0.004 . 1 . 1935 . . 87 GLN H . 25715 1 406 . 1 1 102 102 GLN C C 13 176.079 . . 1 . 3108 . . 87 GLN C . 25715 1 407 . 1 1 102 102 GLN CA C 13 54.155 . . 1 . 2561 . . 87 GLN CA . 25715 1 408 . 1 1 102 102 GLN CB C 13 30.916 . . 1 . 2563 . . 87 GLN CB . 25715 1 409 . 1 1 102 102 GLN N N 15 118.513 0.024 . 1 . 1936 . . 87 GLN N . 25715 1 410 . 1 1 105 105 ALA C C 13 178.025 . . 1 . 4939 . . 90 ALA C . 25715 1 411 . 1 1 106 106 GLY H H 1 7.526 0.004 . 1 . 1809 . . 91 GLY H . 25715 1 412 . 1 1 106 106 GLY C C 13 172.457 . . 1 . 2892 . . 91 GLY C . 25715 1 413 . 1 1 106 106 GLY CA C 13 43.997 0.064 . 1 . 2394 . . 91 GLY CA . 25715 1 414 . 1 1 106 106 GLY N N 15 105.791 0.006 . 1 . 1810 . . 91 GLY N . 25715 1 415 . 1 1 107 107 SER H H 1 8.038 0.004 . 1 . 2149 . . 92 SER H . 25715 1 416 . 1 1 107 107 SER C C 13 174.774 . . 1 . 4940 . . 92 SER C . 25715 1 417 . 1 1 107 107 SER CA C 13 57.149 0.034 . 1 . 2763 . . 92 SER CA . 25715 1 418 . 1 1 107 107 SER CB C 13 63.617 . . 1 . 2762 . . 92 SER CB . 25715 1 419 . 1 1 107 107 SER N N 15 115.289 0.017 . 1 . 2150 . . 92 SER N . 25715 1 420 . 1 1 108 108 HIS H H 1 8.533 0.003 . 1 . 2117 . . 93 HIS H . 25715 1 421 . 1 1 108 108 HIS C C 13 173.162 0.004 . 1 . 3030 . . 93 HIS C . 25715 1 422 . 1 1 108 108 HIS CA C 13 54.682 0.02 . 1 . 2451 . . 93 HIS CA . 25715 1 423 . 1 1 108 108 HIS CB C 13 33.170 0.007 . 1 . 2452 . . 93 HIS CB . 25715 1 424 . 1 1 108 108 HIS N N 15 124.323 0.015 . 1 . 2118 . . 93 HIS N . 25715 1 425 . 1 1 109 109 THR H H 1 8.628 0.002 . 1 . 1855 . . 94 THR H . 25715 1 426 . 1 1 109 109 THR C C 13 173.214 . . 1 . 4941 . . 94 THR C . 25715 1 427 . 1 1 109 109 THR CA C 13 61.728 0.026 . 1 . 2450 . . 94 THR CA . 25715 1 428 . 1 1 109 109 THR CB C 13 70.552 0.034 . 1 . 2449 . . 94 THR CB . 25715 1 429 . 1 1 109 109 THR N N 15 114.279 0.019 . 1 . 1856 . . 94 THR N . 25715 1 430 . 1 1 110 110 LEU H H 1 9.997 0.028 . 1 . 1905 . . 95 LEU H . 25715 1 431 . 1 1 110 110 LEU C C 13 176.156 0.015 . 1 . 3077 . . 95 LEU C . 25715 1 432 . 1 1 110 110 LEU CA C 13 53.597 0.021 . 1 . 2503 . . 95 LEU CA . 25715 1 433 . 1 1 110 110 LEU CB C 13 46.160 0.012 . 1 . 2504 . . 95 LEU CB . 25715 1 434 . 1 1 110 110 LEU N N 15 131.351 0.1 . 1 . 1906 . . 95 LEU N . 25715 1 435 . 1 1 111 111 GLN H H 1 9.252 0.007 . 1 . 1895 . . 96 GLN H . 25715 1 436 . 1 1 111 111 GLN C C 13 174.826 . . 1 . 3128 . . 96 GLN C . 25715 1 437 . 1 1 111 111 GLN CB C 13 36.161 . . 1 . 2505 . . 96 GLN CB . 25715 1 438 . 1 1 111 111 GLN N N 15 125.839 0.028 . 1 . 1896 . . 96 GLN N . 25715 1 439 . 1 1 112 112 ASN H H 1 9.252 0.009 . 1 . 1865 . . 97 ASN H . 25715 1 440 . 1 1 112 112 ASN C C 13 174.863 . . 1 . 3060 . . 97 ASN C . 25715 1 441 . 1 1 112 112 ASN CA C 13 52.025 0.032 . 1 . 2465 . . 97 ASN CA . 25715 1 442 . 1 1 112 112 ASN CB C 13 43.546 0.027 . 1 . 2466 . . 97 ASN CB . 25715 1 443 . 1 1 112 112 ASN N N 15 117.881 0.101 . 1 . 1866 . . 97 ASN N . 25715 1 444 . 1 1 113 113 MET H H 1 9.664 0.003 . 1 . 1921 . . 98 MET H . 25715 1 445 . 1 1 113 113 MET C C 13 173.560 0.09 . 1 . 3021 . . 98 MET C . 25715 1 446 . 1 1 113 113 MET CA C 13 53.925 0.017 . 1 . 2544 . . 98 MET CA . 25715 1 447 . 1 1 113 113 MET CB C 13 35.741 0.02 . 1 . 2545 . . 98 MET CB . 25715 1 448 . 1 1 113 113 MET N N 15 132.877 0.051 . 1 . 1922 . . 98 MET N . 25715 1 449 . 1 1 114 114 TYR H H 1 8.427 0.005 . 1 . 1965 . . 99 TYR H . 25715 1 450 . 1 1 114 114 TYR C C 13 173.380 . . 1 . 2927 . . 99 TYR C . 25715 1 451 . 1 1 114 114 TYR CA C 13 57.275 0.037 . 1 . 2600 . . 99 TYR CA . 25715 1 452 . 1 1 114 114 TYR CB C 13 41.950 0.004 . 1 . 2601 . . 99 TYR CB . 25715 1 453 . 1 1 114 114 TYR N N 15 119.986 0.029 . 1 . 1966 . . 99 TYR N . 25715 1 454 . 1 1 115 115 GLY H H 1 8.663 0.002 . 1 . 1803 . . 100 GLY H . 25715 1 455 . 1 1 115 115 GLY C C 13 170.361 0.016 . 1 . 2976 . . 100 GLY C . 25715 1 456 . 1 1 115 115 GLY CA C 13 45.728 0.037 . 1 . 2412 . . 100 GLY CA . 25715 1 457 . 1 1 115 115 GLY N N 15 105.102 0.035 . 1 . 1804 . . 100 GLY N . 25715 1 458 . 1 1 116 116 CYS H H 1 8.924 0.007 . 1 . 1831 . . 101 CYS H . 25715 1 459 . 1 1 116 116 CYS C C 13 171.896 . . 1 . 3130 . . 101 CYS C . 25715 1 460 . 1 1 116 116 CYS CA C 13 53.031 0.008 . 1 . 2417 . . 101 CYS CA . 25715 1 461 . 1 1 116 116 CYS CB C 13 48.815 0.007 . 1 . 2418 . . 101 CYS CB . 25715 1 462 . 1 1 116 116 CYS N N 15 111.293 0.043 . 1 . 1832 . . 101 CYS N . 25715 1 463 . 1 1 117 117 ASP H H 1 8.985 0.002 . 1 . 2239 . . 102 ASP H . 25715 1 464 . 1 1 117 117 ASP C C 13 176.195 0.019 . 1 . 3002 . . 102 ASP C . 25715 1 465 . 1 1 117 117 ASP CA C 13 52.434 0.071 . 1 . 2481 . . 102 ASP CA . 25715 1 466 . 1 1 117 117 ASP CB C 13 42.106 0.029 . 1 . 2482 . . 102 ASP CB . 25715 1 467 . 1 1 117 117 ASP N N 15 121.853 0.037 . 1 . 2240 . . 102 ASP N . 25715 1 468 . 1 1 118 118 VAL H H 1 9.552 0.001 . 1 . 1879 . . 103 VAL H . 25715 1 469 . 1 1 118 118 VAL C C 13 175.567 0.014 . 1 . 3063 . . 103 VAL C . 25715 1 470 . 1 1 118 118 VAL CA C 13 59.686 0.052 . 1 . 2434 . . 103 VAL CA . 25715 1 471 . 1 1 118 118 VAL CB C 13 34.612 0.031 . 1 . 2435 . . 103 VAL CB . 25715 1 472 . 1 1 118 118 VAL N N 15 121.325 0.057 . 1 . 1880 . . 103 VAL N . 25715 1 473 . 1 1 119 119 GLY H H 1 8.570 0.001 . 1 . 1841 . . 104 GLY H . 25715 1 474 . 1 1 119 119 GLY C C 13 173.868 . . 1 . 3126 . . 104 GLY C . 25715 1 475 . 1 1 119 119 GLY CA C 13 44.250 . . 1 . 2436 . . 104 GLY CA . 25715 1 476 . 1 1 119 119 GLY N N 15 111.333 0.038 . 1 . 1842 . . 104 GLY N . 25715 1 477 . 1 1 120 120 PRO C C 13 176.902 . . 1 . 2971 . . 105 PRO C . 25715 1 478 . 1 1 120 120 PRO CA C 13 64.525 0.009 . 1 . 2759 . . 105 PRO CA . 25715 1 479 . 1 1 120 120 PRO CB C 13 31.026 0.051 . 1 . 2761 . . 105 PRO CB . 25715 1 480 . 1 1 121 121 ASP H H 1 8.082 0.004 . 1 . 2147 . . 106 ASP H . 25715 1 481 . 1 1 121 121 ASP C C 13 176.908 . . 1 . 3114 . . 106 ASP C . 25715 1 482 . 1 1 121 121 ASP CA C 13 52.629 0.037 . 1 . 2405 . . 106 ASP CA . 25715 1 483 . 1 1 121 121 ASP CB C 13 39.597 0.082 . 1 . 2760 . . 106 ASP CB . 25715 1 484 . 1 1 121 121 ASP N N 15 115.691 0.023 . 1 . 2148 . . 106 ASP N . 25715 1 485 . 1 1 122 122 GLY H H 1 8.399 0.018 . 1 . 1823 . . 107 GLY H . 25715 1 486 . 1 1 122 122 GLY C C 13 173.368 0.007 . 1 . 3094 . . 107 GLY C . 25715 1 487 . 1 1 122 122 GLY CA C 13 45.207 0.019 . 1 . 2406 . . 107 GLY CA . 25715 1 488 . 1 1 122 122 GLY N N 15 108.810 0.097 . 1 . 1824 . . 107 GLY N . 25715 1 489 . 1 1 123 123 ARG H H 1 7.539 0.002 . 1 . 2169 . . 108 ARG H . 25715 1 490 . 1 1 123 123 ARG C C 13 176.405 0.022 . 1 . 3014 . . 108 ARG C . 25715 1 491 . 1 1 123 123 ARG CA C 13 54.707 0.01 . 1 . 2646 . . 108 ARG CA . 25715 1 492 . 1 1 123 123 ARG CB C 13 30.568 0.012 . 1 . 2644 . . 108 ARG CB . 25715 1 493 . 1 1 123 123 ARG N N 15 118.937 0.012 . 1 . 2170 . . 108 ARG N . 25715 1 494 . 1 1 124 124 LEU H H 1 8.705 0.003 . 1 . 2009 . . 109 LEU H . 25715 1 495 . 1 1 124 124 LEU C C 13 176.745 0.007 . 1 . 3040 . . 109 LEU C . 25715 1 496 . 1 1 124 124 LEU CB C 13 41.317 0.046 . 1 . 2647 . . 109 LEU CB . 25715 1 497 . 1 1 124 124 LEU N N 15 122.916 0.032 . 1 . 2010 . . 109 LEU N . 25715 1 498 . 1 1 125 125 LEU H H 1 9.495 0.004 . 1 . 1911 . . 110 LEU H . 25715 1 499 . 1 1 125 125 LEU C C 13 177.537 0.004 . 1 . 2947 . . 110 LEU C . 25715 1 500 . 1 1 125 125 LEU CA C 13 55.479 . . 1 . 2528 . . 110 LEU CA . 25715 1 501 . 1 1 125 125 LEU CB C 13 42.999 0.044 . 1 . 2527 . . 110 LEU CB . 25715 1 502 . 1 1 125 125 LEU N N 15 129.936 0.053 . 1 . 1912 . . 110 LEU N . 25715 1 503 . 1 1 126 126 ARG H H 1 7.359 0.007 . 1 . 2273 . . 111 ARG H . 25715 1 504 . 1 1 126 126 ARG C C 13 174.089 0.017 . 1 . 3091 . . 111 ARG C . 25715 1 505 . 1 1 126 126 ARG CA C 13 55.390 0.004 . 1 . 2835 . . 111 ARG CA . 25715 1 506 . 1 1 126 126 ARG CB C 13 33.028 0.023 . 1 . 2836 . . 111 ARG CB . 25715 1 507 . 1 1 126 126 ARG N N 15 116.291 0.039 . 1 . 2274 . . 111 ARG N . 25715 1 508 . 1 1 127 127 GLY H H 1 8.589 0.003 . 1 . 1843 . . 112 GLY H . 25715 1 509 . 1 1 127 127 GLY C C 13 170.566 0.001 . 1 . 2902 . . 112 GLY C . 25715 1 510 . 1 1 127 127 GLY CA C 13 43.502 0.017 . 1 . 2437 . . 112 GLY CA . 25715 1 511 . 1 1 127 127 GLY N N 15 110.563 0.047 . 1 . 1844 . . 112 GLY N . 25715 1 512 . 1 1 128 128 TYR H H 1 8.462 0.01 . 1 . 2283 . . 113 TYR H . 25715 1 513 . 1 1 128 128 TYR C C 13 176.764 0.003 . 1 . 3106 . . 113 TYR C . 25715 1 514 . 1 1 128 128 TYR CB C 13 41.790 0.022 . 1 . 2574 . . 113 TYR CB . 25715 1 515 . 1 1 128 128 TYR N N 15 116.964 0.054 . 1 . 2284 . . 113 TYR N . 25715 1 516 . 1 1 129 129 HIS H H 1 9.859 0.004 . 1 . 2295 . . 114 HIS H . 25715 1 517 . 1 1 129 129 HIS C C 13 173.867 0.007 . 1 . 3039 . . 114 HIS C . 25715 1 518 . 1 1 129 129 HIS CA C 13 59.061 0.002 . 1 . 2868 . . 114 HIS CA . 25715 1 519 . 1 1 129 129 HIS CB C 13 30.022 . . 1 . 2881 . . 114 HIS CB . 25715 1 520 . 1 1 129 129 HIS N N 15 119.660 0.025 . 1 . 2296 . . 114 HIS N . 25715 1 521 . 1 1 130 130 GLN H H 1 9.843 0.003 . 1 . 1887 . . 115 GLN H . 25715 1 522 . 1 1 130 130 GLN C C 13 175.813 0.018 . 1 . 3001 . . 115 GLN C . 25715 1 523 . 1 1 130 130 GLN CA C 13 55.613 0.054 . 1 . 2493 . . 115 GLN CA . 25715 1 524 . 1 1 130 130 GLN N N 15 124.695 0.057 . 1 . 1888 . . 115 GLN N . 25715 1 525 . 1 1 131 131 HIS H H 1 9.678 0.001 . 1 . 2229 . . 116 HIS H . 25715 1 526 . 1 1 131 131 HIS C C 13 175.806 0.015 . 1 . 3134 . . 116 HIS C . 25715 1 527 . 1 1 131 131 HIS CA C 13 57.303 0.016 . 1 . 2818 . . 116 HIS CA . 25715 1 528 . 1 1 131 131 HIS CB C 13 37.647 . . 1 . 2819 . . 116 HIS CB . 25715 1 529 . 1 1 131 131 HIS N N 15 124.211 0.036 . 1 . 2230 . . 116 HIS N . 25715 1 530 . 1 1 132 132 ALA H H 1 8.839 0.003 . 1 . 1989 . . 117 ALA H . 25715 1 531 . 1 1 132 132 ALA C C 13 175.387 0.001 . 1 . 2962 . . 117 ALA C . 25715 1 532 . 1 1 132 132 ALA CA C 13 51.137 0.013 . 1 . 2620 . . 117 ALA CA . 25715 1 533 . 1 1 132 132 ALA CB C 13 19.501 0.015 . 1 . 2621 . . 117 ALA CB . 25715 1 534 . 1 1 132 132 ALA N N 15 124.681 0.04 . 1 . 1990 . . 117 ALA N . 25715 1 535 . 1 1 133 133 TYR H H 1 8.652 0.006 . 1 . 2053 . . 118 TYR H . 25715 1 536 . 1 1 133 133 TYR C C 13 175.098 0.015 . 1 . 3084 . . 118 TYR C . 25715 1 537 . 1 1 133 133 TYR CA C 13 54.544 0.051 . 1 . 2539 . . 118 TYR CA . 25715 1 538 . 1 1 133 133 TYR CB C 13 40.356 0.014 . 1 . 2537 . . 118 TYR CB . 25715 1 539 . 1 1 133 133 TYR N N 15 122.430 0.054 . 1 . 2054 . . 118 TYR N . 25715 1 540 . 1 1 134 134 ASP H H 1 9.714 0.004 . 1 . 1917 . . 119 ASP H . 25715 1 541 . 1 1 134 134 ASP C C 13 174.700 0.001 . 1 . 3095 . . 119 ASP C . 25715 1 542 . 1 1 134 134 ASP CA C 13 55.548 . . 1 . 2536 . . 119 ASP CA . 25715 1 543 . 1 1 134 134 ASP CB C 13 38.402 0.031 . 1 . 2538 . . 119 ASP CB . 25715 1 544 . 1 1 134 134 ASP N N 15 129.547 0.048 . 1 . 1918 . . 119 ASP N . 25715 1 545 . 1 1 135 135 GLY H H 1 9.331 0.005 . 1 . 1799 . . 120 GLY H . 25715 1 546 . 1 1 135 135 GLY CA C 13 44.053 0.028 . 1 . 2387 . . 120 GLY CA . 25715 1 547 . 1 1 135 135 GLY N N 15 102.319 0.05 . 1 . 1800 . . 120 GLY N . 25715 1 548 . 1 1 136 136 LYS H H 1 7.412 0.003 . 1 . 2213 . . 121 LYS H . 25715 1 549 . 1 1 136 136 LYS C C 13 177.932 2.156 . 1 . 2893 . . 121 LYS C . 25715 1 550 . 1 1 136 136 LYS CA C 13 55.179 2.099 . 1 . 2673 . . 121 LYS CA . 25715 1 551 . 1 1 136 136 LYS CB C 13 34.153 0.023 . 1 . 2675 . . 121 LYS CB . 25715 1 552 . 1 1 136 136 LYS N N 15 119.515 0.146 . 1 . 2214 . . 121 LYS N . 25715 1 553 . 1 1 137 137 ASP H H 1 8.472 0.004 . 1 . 2051 . . 122 ASP H . 25715 1 554 . 1 1 137 137 ASP C C 13 173.991 0.016 . 1 . 3044 . . 122 ASP C . 25715 1 555 . 1 1 137 137 ASP CA C 13 57.170 0.049 . 1 . 2649 . . 122 ASP CA . 25715 1 556 . 1 1 137 137 ASP CB C 13 41.338 0.012 . 1 . 2674 . . 122 ASP CB . 25715 1 557 . 1 1 137 137 ASP N N 15 122.111 0.078 . 1 . 2052 . . 122 ASP N . 25715 1 558 . 1 1 138 138 TYR H H 1 8.657 0.025 . 1 . 2055 . . 123 TYR H . 25715 1 559 . 1 1 138 138 TYR C C 13 172.145 0.004 . 1 . 3045 . . 123 TYR C . 25715 1 560 . 1 1 138 138 TYR CA C 13 60.068 0.062 . 1 . 2648 . . 123 TYR CA . 25715 1 561 . 1 1 138 138 TYR CB C 13 40.596 0.069 . 1 . 2650 . . 123 TYR CB . 25715 1 562 . 1 1 138 138 TYR N N 15 122.745 0.056 . 1 . 2056 . . 123 TYR N . 25715 1 563 . 1 1 139 139 ILE H H 1 7.443 0.006 . 1 . 2203 . . 124 ILE H . 25715 1 564 . 1 1 139 139 ILE C C 13 173.349 0.006 . 1 . 3074 . . 124 ILE C . 25715 1 565 . 1 1 139 139 ILE CA C 13 60.191 0.006 . 1 . 2546 . . 124 ILE CA . 25715 1 566 . 1 1 139 139 ILE CB C 13 41.200 0.041 . 1 . 2806 . . 124 ILE CB . 25715 1 567 . 1 1 139 139 ILE N N 15 114.711 0.025 . 1 . 2204 . . 124 ILE N . 25715 1 568 . 1 1 140 140 ALA H H 1 8.877 0.001 . 1 . 1923 . . 125 ALA H . 25715 1 569 . 1 1 140 140 ALA C C 13 175.620 0.017 . 1 . 3041 . . 125 ALA C . 25715 1 570 . 1 1 140 140 ALA CA C 13 51.529 0.01 . 1 . 2547 . . 125 ALA CA . 25715 1 571 . 1 1 140 140 ALA CB C 13 22.999 0.016 . 1 . 2548 . . 125 ALA CB . 25715 1 572 . 1 1 140 140 ALA N N 15 130.987 0.03 . 1 . 1924 . . 125 ALA N . 25715 1 573 . 1 1 141 141 LEU H H 1 9.120 0.002 . 1 . 1979 . . 126 LEU H . 25715 1 574 . 1 1 141 141 LEU C C 13 177.049 0.013 . 1 . 3103 . . 126 LEU C . 25715 1 575 . 1 1 141 141 LEU CA C 13 54.728 0.019 . 1 . 2612 . . 126 LEU CA . 25715 1 576 . 1 1 141 141 LEU CB C 13 43.239 0.009 . 1 . 2613 . . 126 LEU CB . 25715 1 577 . 1 1 141 141 LEU N N 15 126.118 0.034 . 1 . 1980 . . 126 LEU N . 25715 1 578 . 1 1 142 142 ASN H H 1 8.847 0.001 . 1 . 2013 . . 127 ASN H . 25715 1 579 . 1 1 142 142 ASN C C 13 176.481 . . 1 . 3133 . . 127 ASN C . 25715 1 580 . 1 1 142 142 ASN CA C 13 52.879 0.009 . 1 . 2652 . . 127 ASN CA . 25715 1 581 . 1 1 142 142 ASN CB C 13 37.668 0.003 . 1 . 2651 . . 127 ASN CB . 25715 1 582 . 1 1 142 142 ASN N N 15 127.208 0.06 . 1 . 2014 . . 127 ASN N . 25715 1 583 . 1 1 143 143 GLU H H 1 8.992 0.002 . 1 . 1969 . . 128 GLU H . 25715 1 584 . 1 1 143 143 GLU C C 13 176.592 . . 1 . 2940 . . 128 GLU C . 25715 1 585 . 1 1 143 143 GLU CA C 13 58.977 0.054 . 1 . 2770 . . 128 GLU CA . 25715 1 586 . 1 1 143 143 GLU CB C 13 28.689 0.054 . 1 . 2769 . . 128 GLU CB . 25715 1 587 . 1 1 143 143 GLU N N 15 119.817 0.013 . 1 . 1970 . . 128 GLU N . 25715 1 588 . 1 1 144 144 ASP H H 1 7.516 0.001 . 1 . 2155 . . 129 ASP H . 25715 1 589 . 1 1 144 144 ASP C C 13 176.867 0.031 . 1 . 2913 . . 129 ASP C . 25715 1 590 . 1 1 144 144 ASP CA C 13 53.960 0.028 . 1 . 2558 . . 129 ASP CA . 25715 1 591 . 1 1 144 144 ASP CB C 13 39.225 0.028 . 1 . 2560 . . 129 ASP CB . 25715 1 592 . 1 1 144 144 ASP N N 15 116.377 0.022 . 1 . 2156 . . 129 ASP N . 25715 1 593 . 1 1 145 145 LEU H H 1 8.752 0.004 . 1 . 1933 . . 130 LEU H . 25715 1 594 . 1 1 145 145 LEU C C 13 175.356 0.009 . 1 . 3088 . . 130 LEU C . 25715 1 595 . 1 1 145 145 LEU CA C 13 55.514 0.041 . 1 . 2557 . . 130 LEU CA . 25715 1 596 . 1 1 145 145 LEU CB C 13 38.189 0.021 . 1 . 2559 . . 130 LEU CB . 25715 1 597 . 1 1 145 145 LEU N N 15 117.185 0.021 . 1 . 1934 . . 130 LEU N . 25715 1 598 . 1 1 146 146 SER H H 1 8.429 0.018 . 1 . 1825 . . 131 SER H . 25715 1 599 . 1 1 146 146 SER C C 13 172.517 0.009 . 1 . 3049 . . 131 SER C . 25715 1 600 . 1 1 146 146 SER CA C 13 57.764 0.056 . 1 . 2408 . . 131 SER CA . 25715 1 601 . 1 1 146 146 SER CB C 13 65.419 0.057 . 1 . 2407 . . 131 SER CB . 25715 1 602 . 1 1 146 146 SER N N 15 109.344 0.127 . 1 . 1826 . . 131 SER N . 25715 1 603 . 1 1 147 147 SER H H 1 8.201 0.003 . 1 . 2231 . . 132 SER H . 25715 1 604 . 1 1 147 147 SER C C 13 171.857 0.007 . 1 . 2937 . . 132 SER C . 25715 1 605 . 1 1 147 147 SER CA C 13 56.543 0.012 . 1 . 2820 . . 132 SER CA . 25715 1 606 . 1 1 147 147 SER CB C 13 65.899 0.005 . 1 . 2599 . . 132 SER CB . 25715 1 607 . 1 1 147 147 SER N N 15 117.210 0.027 . 1 . 2232 . . 132 SER N . 25715 1 608 . 1 1 148 148 TRP H H 1 8.631 0.002 . 1 . 1963 . . 133 TRP H . 25715 1 609 . 1 1 148 148 TRP C C 13 177.309 0.011 . 1 . 2914 . . 133 TRP C . 25715 1 610 . 1 1 148 148 TRP CA C 13 55.811 0.025 . 1 . 2458 . . 133 TRP CA . 25715 1 611 . 1 1 148 148 TRP CB C 13 33.036 0.017 . 1 . 2459 . . 133 TRP CB . 25715 1 612 . 1 1 148 148 TRP N N 15 119.636 0.035 . 1 . 1964 . . 133 TRP N . 25715 1 613 . 1 1 149 149 THR H H 1 9.644 0.002 . 1 . 1859 . . 134 THR H . 25715 1 614 . 1 1 149 149 THR C C 13 173.877 0.009 . 1 . 2956 . . 134 THR C . 25715 1 615 . 1 1 149 149 THR CA C 13 63.061 0.044 . 1 . 2457 . . 134 THR CA . 25715 1 616 . 1 1 149 149 THR CB C 13 70.063 0.019 . 1 . 2456 . . 134 THR CB . 25715 1 617 . 1 1 149 149 THR N N 15 118.442 0.025 . 1 . 1860 . . 134 THR N . 25715 1 618 . 1 1 150 150 ALA H H 1 9.208 0.005 . 1 . 1927 . . 135 ALA H . 25715 1 619 . 1 1 150 150 ALA C C 13 177.508 0.014 . 1 . 2948 . . 135 ALA C . 25715 1 620 . 1 1 150 150 ALA CA C 13 50.204 0.024 . 1 . 2549 . . 135 ALA CA . 25715 1 621 . 1 1 150 150 ALA CB C 13 19.637 0.071 . 1 . 2550 . . 135 ALA CB . 25715 1 622 . 1 1 150 150 ALA N N 15 133.878 0.041 . 1 . 1928 . . 135 ALA N . 25715 1 623 . 1 1 151 151 ALA H H 1 8.421 0.024 . 1 . 2123 . . 136 ALA H . 25715 1 624 . 1 1 151 151 ALA C C 13 177.160 0.02 . 1 . 2922 . . 136 ALA C . 25715 1 625 . 1 1 151 151 ALA CA C 13 54.431 0.01 . 1 . 2740 . . 136 ALA CA . 25715 1 626 . 1 1 151 151 ALA CB C 13 20.225 . . 1 . 4932 . . 136 ALA CB . 25715 1 627 . 1 1 151 151 ALA N N 15 125.241 0.054 . 1 . 2124 . . 136 ALA N . 25715 1 628 . 1 1 152 152 ASP H H 1 7.347 0.003 . 1 . 2205 . . 137 ASP H . 25715 1 629 . 1 1 152 152 ASP C C 13 176.201 0.01 . 1 . 2974 . . 137 ASP C . 25715 1 630 . 1 1 152 152 ASP CA C 13 52.575 . . 1 . 2807 . . 137 ASP CA . 25715 1 631 . 1 1 152 152 ASP CB C 13 41.380 0.014 . 1 . 2808 . . 137 ASP CB . 25715 1 632 . 1 1 152 152 ASP N N 15 114.411 0.049 . 1 . 2206 . . 137 ASP N . 25715 1 633 . 1 1 153 153 THR H H 1 7.918 0.003 . 1 . 1815 . . 138 THR H . 25715 1 634 . 1 1 153 153 THR C C 13 176.757 0.009 . 1 . 2987 . . 138 THR C . 25715 1 635 . 1 1 153 153 THR CA C 13 65.032 . . 1 . 2869 . . 138 THR CA . 25715 1 636 . 1 1 153 153 THR N N 15 109.888 0.024 . 1 . 1816 . . 138 THR N . 25715 1 637 . 1 1 154 154 ALA H H 1 7.777 0.003 . 1 . 2113 . . 139 ALA H . 25715 1 638 . 1 1 154 154 ALA C C 13 178.351 0.018 . 1 . 3101 . . 139 ALA C . 25715 1 639 . 1 1 154 154 ALA CA C 13 54.546 0.039 . 1 . 2732 . . 139 ALA CA . 25715 1 640 . 1 1 154 154 ALA CB C 13 16.916 0.021 . 1 . 2733 . . 139 ALA CB . 25715 1 641 . 1 1 154 154 ALA N N 15 128.019 0.021 . 1 . 2114 . . 139 ALA N . 25715 1 642 . 1 1 155 155 ALA H H 1 8.248 0.013 . 1 . 2223 . . 140 ALA H . 25715 1 643 . 1 1 155 155 ALA C C 13 179.921 0.024 . 1 . 3078 . . 140 ALA C . 25715 1 644 . 1 1 155 155 ALA CA C 13 53.734 0.03 . 1 . 2813 . . 140 ALA CA . 25715 1 645 . 1 1 155 155 ALA CB C 13 18.832 0.065 . 1 . 2768 . . 140 ALA CB . 25715 1 646 . 1 1 155 155 ALA N N 15 118.950 0.036 . 1 . 2224 . . 140 ALA N . 25715 1 647 . 1 1 156 156 GLN H H 1 7.538 0.006 . 1 . 2153 . . 141 GLN H . 25715 1 648 . 1 1 156 156 GLN C C 13 178.626 0.007 . 1 . 3015 . . 141 GLN C . 25715 1 649 . 1 1 156 156 GLN CA C 13 58.329 0.005 . 1 . 2766 . . 141 GLN CA . 25715 1 650 . 1 1 156 156 GLN CB C 13 27.612 0.002 . 1 . 2767 . . 141 GLN CB . 25715 1 651 . 1 1 156 156 GLN N N 15 116.882 0.084 . 1 . 2154 . . 141 GLN N . 25715 1 652 . 1 1 157 157 ILE H H 1 7.837 0.001 . 1 . 2095 . . 142 ILE H . 25715 1 653 . 1 1 157 157 ILE C C 13 179.923 0.036 . 1 . 3050 . . 142 ILE C . 25715 1 654 . 1 1 157 157 ILE CA C 13 65.422 0.031 . 1 . 2711 . . 142 ILE CA . 25715 1 655 . 1 1 157 157 ILE CB C 13 36.151 0.056 . 1 . 2712 . . 142 ILE CB . 25715 1 656 . 1 1 157 157 ILE N N 15 123.825 0.026 . 1 . 2096 . . 142 ILE N . 25715 1 657 . 1 1 158 158 THR H H 1 6.771 0.006 . 1 . 2187 . . 143 THR H . 25715 1 658 . 1 1 158 158 THR C C 13 174.659 0.023 . 1 . 2979 . . 143 THR C . 25715 1 659 . 1 1 158 158 THR CA C 13 66.581 . . 1 . 2797 . . 143 THR CA . 25715 1 660 . 1 1 158 158 THR CB C 13 67.935 0.029 . 1 . 2796 . . 143 THR CB . 25715 1 661 . 1 1 158 158 THR N N 15 117.827 0.019 . 1 . 2188 . . 143 THR N . 25715 1 662 . 1 1 159 159 GLN H H 1 8.557 0.002 . 1 . 2035 . . 144 GLN H . 25715 1 663 . 1 1 159 159 GLN C C 13 177.285 0.004 . 1 . 3016 . . 144 GLN C . 25715 1 664 . 1 1 159 159 GLN CA C 13 59.676 0.011 . 1 . 2663 . . 144 GLN CA . 25715 1 665 . 1 1 159 159 GLN CB C 13 27.368 0.038 . 1 . 2664 . . 144 GLN CB . 25715 1 666 . 1 1 159 159 GLN N N 15 120.586 0.038 . 1 . 2036 . . 144 GLN N . 25715 1 667 . 1 1 160 160 ARG H H 1 7.804 0.003 . 1 . 2143 . . 145 ARG H . 25715 1 668 . 1 1 160 160 ARG C C 13 180.464 0.002 . 1 . 3119 . . 145 ARG C . 25715 1 669 . 1 1 160 160 ARG CA C 13 59.385 0.069 . 1 . 2754 . . 145 ARG CA . 25715 1 670 . 1 1 160 160 ARG CB C 13 29.261 0.018 . 1 . 2744 . . 145 ARG CB . 25715 1 671 . 1 1 160 160 ARG N N 15 117.827 0.015 . 1 . 2144 . . 145 ARG N . 25715 1 672 . 1 1 161 161 LYS H H 1 7.661 0.003 . 1 . 2135 . . 146 LYS H . 25715 1 673 . 1 1 161 161 LYS C C 13 180.240 0.028 . 1 . 2975 . . 146 LYS C . 25715 1 674 . 1 1 161 161 LYS CA C 13 59.721 0.035 . 1 . 2742 . . 146 LYS CA . 25715 1 675 . 1 1 161 161 LYS CB C 13 31.378 0.005 . 1 . 2743 . . 146 LYS CB . 25715 1 676 . 1 1 161 161 LYS N N 15 121.134 0.019 . 1 . 2136 . . 146 LYS N . 25715 1 677 . 1 1 162 162 TRP H H 1 9.220 0.003 . 1 . 2257 . . 147 TRP H . 25715 1 678 . 1 1 162 162 TRP C C 13 182.021 0.025 . 1 . 2952 . . 147 TRP C . 25715 1 679 . 1 1 162 162 TRP CA C 13 58.095 0.025 . 1 . 2815 . . 147 TRP CA . 25715 1 680 . 1 1 162 162 TRP CB C 13 27.760 0.045 . 1 . 2817 . . 147 TRP CB . 25715 1 681 . 1 1 162 162 TRP N N 15 122.991 0.017 . 1 . 2258 . . 147 TRP N . 25715 1 682 . 1 1 163 163 GLU H H 1 9.435 0.003 . 1 . 2225 . . 148 GLU H . 25715 1 683 . 1 1 163 163 GLU C C 13 180.172 0.02 . 1 . 2963 . . 148 GLU C . 25715 1 684 . 1 1 163 163 GLU CA C 13 59.993 0.047 . 1 . 2814 . . 148 GLU CA . 25715 1 685 . 1 1 163 163 GLU CB C 13 28.831 0.005 . 1 . 2816 . . 148 GLU CB . 25715 1 686 . 1 1 163 163 GLU N N 15 126.089 0.033 . 1 . 2226 . . 148 GLU N . 25715 1 687 . 1 1 164 164 ALA H H 1 7.952 0.002 . 1 . 2089 . . 149 ALA H . 25715 1 688 . 1 1 164 164 ALA C C 13 179.406 0.031 . 1 . 3010 . . 149 ALA C . 25715 1 689 . 1 1 164 164 ALA CA C 13 54.935 0.029 . 1 . 2706 . . 149 ALA CA . 25715 1 690 . 1 1 164 164 ALA CB C 13 17.306 0.021 . 1 . 2708 . . 149 ALA CB . 25715 1 691 . 1 1 164 164 ALA N N 15 123.867 0.029 . 1 . 2090 . . 149 ALA N . 25715 1 692 . 1 1 165 165 ALA H H 1 7.760 0.002 . 1 . 2151 . . 150 ALA H . 25715 1 693 . 1 1 165 165 ALA C C 13 176.359 0.014 . 1 . 2988 . . 150 ALA C . 25715 1 694 . 1 1 165 165 ALA CA C 13 51.593 0.043 . 1 . 2764 . . 150 ALA CA . 25715 1 695 . 1 1 165 165 ALA CB C 13 18.705 0.019 . 1 . 2765 . . 150 ALA CB . 25715 1 696 . 1 1 165 165 ALA N N 15 117.022 0.023 . 1 . 2152 . . 150 ALA N . 25715 1 697 . 1 1 166 166 ARG H H 1 7.897 0.003 . 1 . 2199 . . 151 ARG H . 25715 1 698 . 1 1 166 166 ARG C C 13 176.865 0.016 . 1 . 2907 . . 151 ARG C . 25715 1 699 . 1 1 166 166 ARG CA C 13 57.202 0.053 . 1 . 2804 . . 151 ARG CA . 25715 1 700 . 1 1 166 166 ARG CB C 13 25.897 0.064 . 1 . 2805 . . 151 ARG CB . 25715 1 701 . 1 1 166 166 ARG N N 15 115.606 0.016 . 1 . 2200 . . 151 ARG N . 25715 1 702 . 1 1 167 167 VAL H H 1 8.066 0.014 . 1 . 2267 . . 152 VAL H . 25715 1 703 . 1 1 167 167 VAL C C 13 178.608 0.007 . 1 . 2930 . . 152 VAL C . 25715 1 704 . 1 1 167 167 VAL CA C 13 66.112 0.001 . 1 . 2850 . . 152 VAL CA . 25715 1 705 . 1 1 167 167 VAL CB C 13 32.444 0.012 . 1 . 2849 . . 152 VAL CB . 25715 1 706 . 1 1 167 167 VAL N N 15 118.829 0.079 . 1 . 2268 . . 152 VAL N . 25715 1 707 . 1 1 168 168 ALA H H 1 9.656 0.003 . 1 . 2227 . . 153 ALA H . 25715 1 708 . 1 1 168 168 ALA C C 13 178.479 . . 1 . 4942 . . 153 ALA C . 25715 1 709 . 1 1 168 168 ALA CA C 13 56.004 0.022 . 1 . 2757 . . 153 ALA CA . 25715 1 710 . 1 1 168 168 ALA CB C 13 16.216 0.027 . 1 . 2758 . . 153 ALA CB . 25715 1 711 . 1 1 168 168 ALA N N 15 121.652 0.074 . 1 . 2228 . . 153 ALA N . 25715 1 712 . 1 1 169 169 GLU H H 1 7.985 0.024 . 1 . 2145 . . 154 GLU H . 25715 1 713 . 1 1 169 169 GLU C C 13 180.139 . . 1 . 3115 . . 154 GLU C . 25715 1 714 . 1 1 169 169 GLU CA C 13 59.584 0.006 . 1 . 2755 . . 154 GLU CA . 25715 1 715 . 1 1 169 169 GLU CB C 13 28.800 . . 1 . 2756 . . 154 GLU CB . 25715 1 716 . 1 1 169 169 GLU N N 15 116.217 0.072 . 1 . 2146 . . 154 GLU N . 25715 1 717 . 1 1 171 171 LEU C C 13 179.189 . . 1 . 2912 . . 156 LEU C . 25715 1 718 . 1 1 171 171 LEU CA C 13 57.294 . . 1 . 2889 . . 156 LEU CA . 25715 1 719 . 1 1 171 171 LEU CB C 13 40.705 . . 1 . 2890 . . 156 LEU CB . 25715 1 720 . 1 1 172 172 ARG H H 1 9.296 0.014 . 1 . 2233 . . 157 ARG H . 25715 1 721 . 1 1 172 172 ARG C C 13 177.161 0.005 . 1 . 2960 . . 157 ARG C . 25715 1 722 . 1 1 172 172 ARG CA C 13 60.433 0.01 . 1 . 2778 . . 157 ARG CA . 25715 1 723 . 1 1 172 172 ARG CB C 13 28.564 0.034 . 1 . 2826 . . 157 ARG CB . 25715 1 724 . 1 1 172 172 ARG N N 15 121.218 0.05 . 1 . 2234 . . 157 ARG N . 25715 1 725 . 1 1 173 173 ALA H H 1 7.346 0.01 . 1 . 2167 . . 158 ALA H . 25715 1 726 . 1 1 173 173 ALA C C 13 182.059 0.032 . 1 . 2991 . . 158 ALA C . 25715 1 727 . 1 1 173 173 ALA CA C 13 54.672 0.009 . 1 . 2779 . . 158 ALA CA . 25715 1 728 . 1 1 173 173 ALA CB C 13 17.089 0.033 . 1 . 2780 . . 158 ALA CB . 25715 1 729 . 1 1 173 173 ALA N N 15 118.355 0.053 . 1 . 2168 . . 158 ALA N . 25715 1 730 . 1 1 174 174 TYR H H 1 7.414 0.005 . 1 . 2215 . . 159 TYR H . 25715 1 731 . 1 1 174 174 TYR C C 13 176.811 0.005 . 1 . 2995 . . 159 TYR C . 25715 1 732 . 1 1 174 174 TYR CA C 13 61.031 0.074 . 1 . 2812 . . 159 TYR CA . 25715 1 733 . 1 1 174 174 TYR CB C 13 37.858 0.017 . 1 . 2811 . . 159 TYR CB . 25715 1 734 . 1 1 174 174 TYR N N 15 119.286 0.038 . 1 . 2216 . . 159 TYR N . 25715 1 735 . 1 1 175 175 LEU H H 1 9.034 0.006 . 1 . 2247 . . 160 LEU H . 25715 1 736 . 1 1 175 175 LEU C C 13 176.423 0.267 . 1 . 2980 . . 160 LEU C . 25715 1 737 . 1 1 175 175 LEU CA C 13 58.041 0.009 . 1 . 2837 . . 160 LEU CA . 25715 1 738 . 1 1 175 175 LEU CB C 13 41.629 0.047 . 1 . 2838 . . 160 LEU CB . 25715 1 739 . 1 1 175 175 LEU N N 15 122.355 0.06 . 1 . 2248 . . 160 LEU N . 25715 1 740 . 1 1 176 176 GLU H H 1 8.366 0.005 . 1 . 1845 . . 161 GLU H . 25715 1 741 . 1 1 176 176 GLU C C 13 177.077 0.012 . 1 . 2935 . . 161 GLU C . 25715 1 742 . 1 1 176 176 GLU CA C 13 56.788 0.016 . 1 . 2396 . . 161 GLU CA . 25715 1 743 . 1 1 176 176 GLU CB C 13 30.256 0.084 . 1 . 2398 . . 161 GLU CB . 25715 1 744 . 1 1 176 176 GLU N N 15 109.756 0.027 . 1 . 1846 . . 161 GLU N . 25715 1 745 . 1 1 177 177 GLY H H 1 7.337 0.016 . 1 . 1813 . . 162 GLY H . 25715 1 746 . 1 1 177 177 GLY C C 13 173.430 0.014 . 1 . 2932 . . 162 GLY C . 25715 1 747 . 1 1 177 177 GLY CA C 13 45.517 0.01 . 1 . 2397 . . 162 GLY CA . 25715 1 748 . 1 1 177 177 GLY N N 15 108.899 0.085 . 1 . 1814 . . 162 GLY N . 25715 1 749 . 1 1 178 178 GLU H H 1 8.598 0.008 . 1 . 2027 . . 163 GLU H . 25715 1 750 . 1 1 178 178 GLU C C 13 177.238 0.024 . 1 . 3053 . . 163 GLU C . 25715 1 751 . 1 1 178 178 GLU CA C 13 60.865 0.021 . 1 . 2662 . . 163 GLU CA . 25715 1 752 . 1 1 178 178 GLU CB C 13 30.627 0.036 . 1 . 2567 . . 163 GLU CB . 25715 1 753 . 1 1 178 178 GLU N N 15 129.938 0.033 . 1 . 2028 . . 163 GLU N . 25715 1 754 . 1 1 179 179 CYS H H 1 8.789 0.008 . 1 . 1937 . . 164 CYS H . 25715 1 755 . 1 1 179 179 CYS C C 13 175.474 0.006 . 1 . 3070 . . 164 CYS C . 25715 1 756 . 1 1 179 179 CYS CA C 13 61.624 0.044 . 1 . 2565 . . 164 CYS CA . 25715 1 757 . 1 1 179 179 CYS CB C 13 41.622 0.028 . 1 . 2566 . . 164 CYS CB . 25715 1 758 . 1 1 179 179 CYS N N 15 118.063 0.054 . 1 . 1938 . . 164 CYS N . 25715 1 759 . 1 1 180 180 VAL H H 1 6.333 0.003 . 1 . 2195 . . 165 VAL H . 25715 1 760 . 1 1 180 180 VAL C C 13 178.183 0.013 . 1 . 3083 . . 165 VAL C . 25715 1 761 . 1 1 180 180 VAL CA C 13 65.344 0.031 . 1 . 2800 . . 165 VAL CA . 25715 1 762 . 1 1 180 180 VAL CB C 13 31.613 0.033 . 1 . 2801 . . 165 VAL CB . 25715 1 763 . 1 1 180 180 VAL N N 15 114.984 0.035 . 1 . 2196 . . 165 VAL N . 25715 1 764 . 1 1 181 181 GLU H H 1 8.367 0.005 . 1 . 2041 . . 166 GLU H . 25715 1 765 . 1 1 181 181 GLU C C 13 180.283 0.017 . 1 . 3036 . . 166 GLU C . 25715 1 766 . 1 1 181 181 GLU CA C 13 58.972 0.051 . 1 . 2668 . . 166 GLU CA . 25715 1 767 . 1 1 181 181 GLU CB C 13 29.331 0.011 . 1 . 2669 . . 166 GLU CB . 25715 1 768 . 1 1 181 181 GLU N N 15 120.303 0.026 . 1 . 2042 . . 166 GLU N . 25715 1 769 . 1 1 182 182 TRP H H 1 9.067 0.004 . 1 . 2277 . . 167 TRP H . 25715 1 770 . 1 1 182 182 TRP C C 13 176.080 0.014 . 1 . 3080 . . 167 TRP C . 25715 1 771 . 1 1 182 182 TRP CA C 13 61.409 0.023 . 1 . 2821 . . 167 TRP CA . 25715 1 772 . 1 1 182 182 TRP CB C 13 26.259 0.058 . 1 . 2822 . . 167 TRP CB . 25715 1 773 . 1 1 182 182 TRP N N 15 120.537 0.037 . 1 . 2278 . . 167 TRP N . 25715 1 774 . 1 1 183 183 LEU H H 1 7.919 0.004 . 1 . 2075 . . 168 LEU H . 25715 1 775 . 1 1 183 183 LEU C C 13 178.521 0.039 . 1 . 2959 . . 168 LEU C . 25715 1 776 . 1 1 183 183 LEU CA C 13 58.874 0.016 . 1 . 2697 . . 168 LEU CA . 25715 1 777 . 1 1 183 183 LEU CB C 13 39.823 0.081 . 1 . 2696 . . 168 LEU CB . 25715 1 778 . 1 1 183 183 LEU N N 15 121.148 0.035 . 1 . 2076 . . 168 LEU N . 25715 1 779 . 1 1 184 184 ARG H H 1 8.025 0.005 . 1 . 2219 . . 169 ARG H . 25715 1 780 . 1 1 184 184 ARG C C 13 178.928 0.002 . 1 . 2926 . . 169 ARG C . 25715 1 781 . 1 1 184 184 ARG CA C 13 59.902 0.018 . 1 . 2861 . . 169 ARG CA . 25715 1 782 . 1 1 184 184 ARG CB C 13 28.814 0.043 . 1 . 2722 . . 169 ARG CB . 25715 1 783 . 1 1 184 184 ARG N N 15 116.533 0.101 . 1 . 2220 . . 169 ARG N . 25715 1 784 . 1 1 185 185 ARG H H 1 7.320 0.006 . 1 . 2103 . . 170 ARG H . 25715 1 785 . 1 1 185 185 ARG C C 13 178.537 0.008 . 1 . 2953 . . 170 ARG C . 25715 1 786 . 1 1 185 185 ARG CA C 13 58.750 0.033 . 1 . 2721 . . 170 ARG CA . 25715 1 787 . 1 1 185 185 ARG CB C 13 28.697 0.021 . 1 . 2855 . . 170 ARG CB . 25715 1 788 . 1 1 185 185 ARG N N 15 122.091 0.029 . 1 . 2104 . . 170 ARG N . 25715 1 789 . 1 1 186 186 TYR H H 1 8.544 0.006 . 1 . 2291 . . 171 TYR H . 25715 1 790 . 1 1 186 186 TYR C C 13 178.430 0.025 . 1 . 4943 . . 171 TYR C . 25715 1 791 . 1 1 186 186 TYR CA C 13 54.280 . . 1 . 2853 . . 171 TYR CA . 25715 1 792 . 1 1 186 186 TYR CB C 13 35.828 . . 1 . 2854 . . 171 TYR CB . 25715 1 793 . 1 1 186 186 TYR N N 15 121.634 0.058 . 1 . 2292 . . 171 TYR N . 25715 1 794 . 1 1 187 187 LEU H H 1 8.442 0.004 . 1 . 1947 . . 172 LEU H . 25715 1 795 . 1 1 187 187 LEU C C 13 179.214 0.004 . 1 . 2911 . . 172 LEU C . 25715 1 796 . 1 1 187 187 LEU CA C 13 57.296 0.034 . 1 . 2581 . . 172 LEU CA . 25715 1 797 . 1 1 187 187 LEU CB C 13 40.820 0.009 . 1 . 2580 . . 172 LEU CB . 25715 1 798 . 1 1 187 187 LEU N N 15 117.329 0.037 . 1 . 1948 . . 172 LEU N . 25715 1 799 . 1 1 188 188 GLU H H 1 7.523 0.004 . 1 . 2165 . . 173 GLU H . 25715 1 800 . 1 1 188 188 GLU C C 13 179.767 0.026 . 1 . 3042 . . 173 GLU C . 25715 1 801 . 1 1 188 188 GLU CA C 13 58.248 0.014 . 1 . 2776 . . 173 GLU CA . 25715 1 802 . 1 1 188 188 GLU CB C 13 28.528 0.009 . 1 . 2777 . . 173 GLU CB . 25715 1 803 . 1 1 188 188 GLU N N 15 118.730 0.035 . 1 . 2166 . . 173 GLU N . 25715 1 804 . 1 1 189 189 ASN H H 1 8.768 0.003 . 1 . 2217 . . 174 ASN H . 25715 1 805 . 1 1 189 189 ASN C C 13 177.895 0.001 . 1 . 3079 . . 174 ASN C . 25715 1 806 . 1 1 189 189 ASN CA C 13 55.330 0.04 . 1 . 2857 . . 174 ASN CA . 25715 1 807 . 1 1 189 189 ASN CB C 13 36.596 0.04 . 1 . 2416 . . 174 ASN CB . 25715 1 808 . 1 1 189 189 ASN N N 15 121.334 0.037 . 1 . 2218 . . 174 ASN N . 25715 1 809 . 1 1 190 190 GLY H H 1 8.746 0.004 . 1 . 1829 . . 175 GLY H . 25715 1 810 . 1 1 190 190 GLY C C 13 175.141 0.036 . 1 . 3061 . . 175 GLY C . 25715 1 811 . 1 1 190 190 GLY CA C 13 44.578 0.012 . 1 . 2415 . . 175 GLY CA . 25715 1 812 . 1 1 190 190 GLY N N 15 108.700 0.033 . 1 . 1830 . . 175 GLY N . 25715 1 813 . 1 1 191 191 LYS H H 1 6.971 0.004 . 1 . 2105 . . 176 LYS H . 25715 1 814 . 1 1 191 191 LYS C C 13 177.540 0.013 . 1 . 2990 . . 176 LYS C . 25715 1 815 . 1 1 191 191 LYS CA C 13 60.880 0.048 . 1 . 2568 . . 176 LYS CA . 25715 1 816 . 1 1 191 191 LYS CB C 13 31.854 0.014 . 1 . 2723 . . 176 LYS CB . 25715 1 817 . 1 1 191 191 LYS N N 15 122.864 0.031 . 1 . 2106 . . 176 LYS N . 25715 1 818 . 1 1 192 192 GLU H H 1 8.698 0.003 . 1 . 1939 . . 177 GLU H . 25715 1 819 . 1 1 192 192 GLU C C 13 176.467 0.031 . 1 . 3023 . . 177 GLU C . 25715 1 820 . 1 1 192 192 GLU CA C 13 59.024 0.027 . 1 . 2569 . . 177 GLU CA . 25715 1 821 . 1 1 192 192 GLU CB C 13 28.820 0.081 . 1 . 2570 . . 177 GLU CB . 25715 1 822 . 1 1 192 192 GLU N N 15 117.778 0.03 . 1 . 1940 . . 177 GLU N . 25715 1 823 . 1 1 193 193 THR H H 1 7.658 0.004 . 1 . 1811 . . 178 THR H . 25715 1 824 . 1 1 193 193 THR C C 13 176.461 0.04 . 1 . 4944 . . 178 THR C . 25715 1 825 . 1 1 193 193 THR CA C 13 61.714 . . 1 . 2395 . . 178 THR CA . 25715 1 826 . 1 1 193 193 THR CB C 13 69.483 . . 1 . 2875 . . 178 THR CB . 25715 1 827 . 1 1 193 193 THR N N 15 105.382 0.062 . 1 . 1812 . . 178 THR N . 25715 1 828 . 1 1 194 194 LEU H H 1 8.557 0.003 . 1 . 2039 . . 179 LEU H . 25715 1 829 . 1 1 194 194 LEU C C 13 179.495 0.008 . 1 . 2910 . . 179 LEU C . 25715 1 830 . 1 1 194 194 LEU CA C 13 55.934 0.005 . 1 . 2667 . . 179 LEU CA . 25715 1 831 . 1 1 194 194 LEU CB C 13 43.296 0.033 . 1 . 2864 . . 179 LEU CB . 25715 1 832 . 1 1 194 194 LEU N N 15 120.432 0.029 . 1 . 2040 . . 179 LEU N . 25715 1 833 . 1 1 195 195 GLN H H 1 7.518 0.015 . 1 . 2207 . . 180 GLN H . 25715 1 834 . 1 1 195 195 GLN C C 13 174.121 0.007 . 1 . 3055 . . 180 GLN C . 25715 1 835 . 1 1 195 195 GLN CA C 13 55.355 0.049 . 1 . 2809 . . 180 GLN CA . 25715 1 836 . 1 1 195 195 GLN CB C 13 28.250 0.016 . 1 . 2791 . . 180 GLN CB . 25715 1 837 . 1 1 195 195 GLN N N 15 113.353 0.08 . 1 . 2208 . . 180 GLN N . 25715 1 838 . 1 1 196 196 ARG H H 1 7.090 0.004 . 1 . 2181 . . 181 ARG H . 25715 1 839 . 1 1 196 196 ARG C C 13 174.296 0.012 . 1 . 4945 . . 181 ARG C . 25715 1 840 . 1 1 196 196 ARG CA C 13 54.774 0.014 . 1 . 2789 . . 181 ARG CA . 25715 1 841 . 1 1 196 196 ARG CB C 13 31.575 0.016 . 1 . 2790 . . 181 ARG CB . 25715 1 842 . 1 1 196 196 ARG N N 15 120.925 0.022 . 1 . 2182 . . 181 ARG N . 25715 1 843 . 1 1 197 197 ALA H H 1 8.624 0.003 . 1 . 2023 . . 182 ALA H . 25715 1 844 . 1 1 197 197 ALA C C 13 177.125 0.008 . 1 . 3011 . . 182 ALA C . 25715 1 845 . 1 1 197 197 ALA CA C 13 51.113 0.008 . 1 . 2497 . . 182 ALA CA . 25715 1 846 . 1 1 197 197 ALA CB C 13 19.032 0.025 . 1 . 2496 . . 182 ALA CB . 25715 1 847 . 1 1 197 197 ALA N N 15 128.384 0.02 . 1 . 2024 . . 182 ALA N . 25715 1 848 . 1 1 198 198 ASP H H 1 9.611 0.001 . 1 . 1889 . . 183 ASP H . 25715 1 849 . 1 1 198 198 ASP C C 13 173.863 . . 1 . 3117 . . 183 ASP C . 25715 1 850 . 1 1 198 198 ASP CA C 13 51.215 . . 1 . 2494 . . 183 ASP CA . 25715 1 851 . 1 1 198 198 ASP CB C 13 42.219 . . 1 . 2495 . . 183 ASP CB . 25715 1 852 . 1 1 198 198 ASP N N 15 126.148 0.029 . 1 . 1890 . . 183 ASP N . 25715 1 853 . 1 1 200 200 PRO C C 13 176.698 . . 1 . 4946 . . 185 PRO C . 25715 1 854 . 1 1 200 200 PRO CA C 13 61.805 0.018 . 1 . 2498 . . 185 PRO CA . 25715 1 855 . 1 1 200 200 PRO CB C 13 30.984 0.075 . 1 . 2500 . . 185 PRO CB . 25715 1 856 . 1 1 201 201 LYS H H 1 9.658 0.002 . 1 . 1891 . . 186 LYS H . 25715 1 857 . 1 1 201 201 LYS C C 13 178.215 0.023 . 1 . 2903 . . 186 LYS C . 25715 1 858 . 1 1 201 201 LYS CA C 13 56.332 0.01 . 1 . 2499 . . 186 LYS CA . 25715 1 859 . 1 1 201 201 LYS CB C 13 31.125 0.001 . 1 . 2573 . . 186 LYS CB . 25715 1 860 . 1 1 201 201 LYS N N 15 125.774 0.033 . 1 . 1892 . . 186 LYS N . 25715 1 861 . 1 1 202 202 THR H H 1 8.463 0.004 . 1 . 1941 . . 187 THR H . 25715 1 862 . 1 1 202 202 THR C C 13 174.587 0.003 . 1 . 3009 . . 187 THR C . 25715 1 863 . 1 1 202 202 THR CA C 13 59.131 0.04 . 1 . 2572 . . 187 THR CA . 25715 1 864 . 1 1 202 202 THR CB C 13 71.629 0.035 . 1 . 2571 . . 187 THR CB . 25715 1 865 . 1 1 202 202 THR N N 15 116.894 0.015 . 1 . 1942 . . 187 THR N . 25715 1 866 . 1 1 203 203 HIS H H 1 8.222 0.004 . 1 . 1953 . . 188 HIS H . 25715 1 867 . 1 1 203 203 HIS C C 13 172.756 0.002 . 1 . 3043 . . 188 HIS C . 25715 1 868 . 1 1 203 203 HIS CA C 13 56.297 0.015 . 1 . 2586 . . 188 HIS CA . 25715 1 869 . 1 1 203 203 HIS CB C 13 31.887 0.004 . 1 . 2587 . . 188 HIS CB . 25715 1 870 . 1 1 203 203 HIS N N 15 116.681 0.067 . 1 . 1954 . . 188 HIS N . 25715 1 871 . 1 1 204 204 VAL H H 1 8.764 0.012 . 1 . 2029 . . 189 VAL H . 25715 1 872 . 1 1 204 204 VAL C C 13 176.549 0.026 . 1 . 3069 . . 189 VAL C . 25715 1 873 . 1 1 204 204 VAL CA C 13 60.592 . . 1 . 2856 . . 189 VAL CA . 25715 1 874 . 1 1 204 204 VAL CB C 13 34.403 0.126 . 1 . 2476 . . 189 VAL CB . 25715 1 875 . 1 1 204 204 VAL N N 15 121.307 0.069 . 1 . 2030 . . 189 VAL N . 25715 1 876 . 1 1 205 205 THR H H 1 9.884 0.005 . 1 . 1871 . . 190 THR H . 25715 1 877 . 1 1 205 205 THR C C 13 171.983 0.002 . 1 . 3102 . . 190 THR C . 25715 1 878 . 1 1 205 205 THR CA C 13 60.490 0.063 . 1 . 2475 . . 190 THR CA . 25715 1 879 . 1 1 205 205 THR CB C 13 69.982 0.022 . 1 . 2474 . . 190 THR CB . 25715 1 880 . 1 1 205 205 THR N N 15 119.567 0.023 . 1 . 1872 . . 190 THR N . 25715 1 881 . 1 1 206 206 HIS H H 1 7.942 0.009 . 1 . 2085 . . 191 HIS H . 25715 1 882 . 1 1 206 206 HIS C C 13 174.496 0.006 . 1 . 2918 . . 191 HIS C . 25715 1 883 . 1 1 206 206 HIS CA C 13 55.236 0.024 . 1 . 2680 . . 191 HIS CA . 25715 1 884 . 1 1 206 206 HIS CB C 13 33.540 0.043 . 1 . 2682 . . 191 HIS CB . 25715 1 885 . 1 1 206 206 HIS N N 15 122.799 0.057 . 1 . 2086 . . 191 HIS N . 25715 1 886 . 1 1 207 207 HIS H H 1 8.406 0.005 . 1 . 2129 . . 192 HIS H . 25715 1 887 . 1 1 207 207 HIS C C 13 172.814 . . 1 . 3110 . . 192 HIS C . 25715 1 888 . 1 1 207 207 HIS CA C 13 51.765 . . 1 . 2681 . . 192 HIS CA . 25715 1 889 . 1 1 207 207 HIS CB C 13 29.376 . . 1 . 2683 . . 192 HIS CB . 25715 1 890 . 1 1 207 207 HIS N N 15 123.839 0.08 . 1 . 2130 . . 192 HIS N . 25715 1 891 . 1 1 208 208 PRO C C 13 177.044 . . 1 . 3096 . . 193 PRO C . 25715 1 892 . 1 1 208 208 PRO CA C 13 63.877 0.045 . 1 . 2735 . . 193 PRO CA . 25715 1 893 . 1 1 208 208 PRO CB C 13 31.440 0.038 . 1 . 2737 . . 193 PRO CB . 25715 1 894 . 1 1 209 209 ILE H H 1 8.582 0.006 . 1 . 2119 . . 194 ILE H . 25715 1 895 . 1 1 209 209 ILE C C 13 175.503 0.006 . 1 . 3037 . . 194 ILE C . 25715 1 896 . 1 1 209 209 ILE CA C 13 62.080 0.034 . 1 . 2576 . . 194 ILE CA . 25715 1 897 . 1 1 209 209 ILE CB C 13 39.433 0.01 . 1 . 2736 . . 194 ILE CB . 25715 1 898 . 1 1 209 209 ILE N N 15 123.782 0.067 . 1 . 2120 . . 194 ILE N . 25715 1 899 . 1 1 210 210 SER H H 1 8.351 0.005 . 1 . 1943 . . 195 SER H . 25715 1 900 . 1 1 210 210 SER C C 13 174.029 . . 1 . 3122 . . 195 SER C . 25715 1 901 . 1 1 210 210 SER CA C 13 56.462 . . 1 . 2577 . . 195 SER CA . 25715 1 902 . 1 1 210 210 SER CB C 13 64.807 . . 1 . 2575 . . 195 SER CB . 25715 1 903 . 1 1 210 210 SER N N 15 116.312 0.013 . 1 . 1944 . . 195 SER N . 25715 1 904 . 1 1 211 211 ASP C C 13 176.653 . . 1 . 3100 . . 196 ASP C . 25715 1 905 . 1 1 211 211 ASP CA C 13 56.103 0.053 . 1 . 2448 . . 196 ASP CA . 25715 1 906 . 1 1 211 211 ASP CB C 13 39.717 . . 1 . 2880 . . 196 ASP CB . 25715 1 907 . 1 1 212 212 HIS H H 1 8.234 0.006 . 1 . 1853 . . 197 HIS H . 25715 1 908 . 1 1 212 212 HIS C C 13 175.841 0.029 . 1 . 2981 . . 197 HIS C . 25715 1 909 . 1 1 212 212 HIS CA C 13 56.074 . . 1 . 2885 . . 197 HIS CA . 25715 1 910 . 1 1 212 212 HIS CB C 13 31.495 0.087 . 1 . 2781 . . 197 HIS CB . 25715 1 911 . 1 1 212 212 HIS N N 15 114.246 0.066 . 1 . 1854 . . 197 HIS N . 25715 1 912 . 1 1 213 213 GLU H H 1 7.463 0.005 . 1 . 2171 . . 198 GLU H . 25715 1 913 . 1 1 213 213 GLU C C 13 174.582 0.0 . 1 . 2944 . . 198 GLU C . 25715 1 914 . 1 1 213 213 GLU CA C 13 55.270 0.028 . 1 . 2632 . . 198 GLU CA . 25715 1 915 . 1 1 213 213 GLU CB C 13 34.526 0.008 . 1 . 2633 . . 198 GLU CB . 25715 1 916 . 1 1 213 213 GLU N N 15 120.845 0.05 . 1 . 2172 . . 198 GLU N . 25715 1 917 . 1 1 214 214 ALA H H 1 9.034 0.002 . 1 . 1997 . . 199 ALA H . 25715 1 918 . 1 1 214 214 ALA C C 13 174.458 0.021 . 1 . 4947 . . 199 ALA C . 25715 1 919 . 1 1 214 214 ALA CA C 13 50.633 0.012 . 1 . 2591 . . 199 ALA CA . 25715 1 920 . 1 1 214 214 ALA CB C 13 21.954 0.02 . 1 . 2590 . . 199 ALA CB . 25715 1 921 . 1 1 214 214 ALA N N 15 123.701 0.04 . 1 . 1998 . . 199 ALA N . 25715 1 922 . 1 1 215 215 THR H H 1 8.536 0.011 . 1 . 1955 . . 200 THR H . 25715 1 923 . 1 1 215 215 THR C C 13 174.634 0.008 . 1 . 3104 . . 200 THR C . 25715 1 924 . 1 1 215 215 THR CA C 13 61.844 0.034 . 1 . 2589 . . 200 THR CA . 25715 1 925 . 1 1 215 215 THR CB C 13 69.567 0.011 . 1 . 2588 . . 200 THR CB . 25715 1 926 . 1 1 215 215 THR N N 15 118.709 0.026 . 1 . 1956 . . 200 THR N . 25715 1 927 . 1 1 216 216 LEU H H 1 8.765 0.001 . 1 . 2281 . . 201 LEU H . 25715 1 928 . 1 1 216 216 LEU C C 13 175.361 0.003 . 1 . 3107 . . 201 LEU C . 25715 1 929 . 1 1 216 216 LEU CA C 13 52.666 0.01 . 1 . 2858 . . 201 LEU CA . 25715 1 930 . 1 1 216 216 LEU CB C 13 43.064 0.005 . 1 . 2859 . . 201 LEU CB . 25715 1 931 . 1 1 216 216 LEU N N 15 126.999 0.052 . 1 . 2282 . . 201 LEU N . 25715 1 932 . 1 1 217 217 ARG H H 1 9.200 0.011 . 1 . 2287 . . 202 ARG H . 25715 1 933 . 1 1 217 217 ARG C C 13 173.023 0.004 . 1 . 2920 . . 202 ARG C . 25715 1 934 . 1 1 217 217 ARG CA C 13 55.044 0.04 . 1 . 2513 . . 202 ARG CA . 25715 1 935 . 1 1 217 217 ARG CB C 13 31.617 0.028 . 1 . 2514 . . 202 ARG CB . 25715 1 936 . 1 1 217 217 ARG N N 15 124.434 0.041 . 1 . 2288 . . 202 ARG N . 25715 1 937 . 1 1 218 218 CYS H H 1 9.904 0.002 . 1 . 1901 . . 203 CYS H . 25715 1 938 . 1 1 218 218 CYS C C 13 172.444 0.006 . 1 . 2969 . . 203 CYS C . 25715 1 939 . 1 1 218 218 CYS CA C 13 53.438 0.044 . 1 . 2510 . . 203 CYS CA . 25715 1 940 . 1 1 218 218 CYS CB C 13 40.952 0.01 . 1 . 2511 . . 203 CYS CB . 25715 1 941 . 1 1 218 218 CYS N N 15 128.822 0.043 . 1 . 1902 . . 203 CYS N . 25715 1 942 . 1 1 219 219 TRP H H 1 9.419 0.004 . 1 . 1899 . . 204 TRP H . 25715 1 943 . 1 1 219 219 TRP C C 13 174.718 0.006 . 1 . 2970 . . 204 TRP C . 25715 1 944 . 1 1 219 219 TRP CA C 13 57.267 0.032 . 1 . 2509 . . 204 TRP CA . 25715 1 945 . 1 1 219 219 TRP CB C 13 31.407 0.016 . 1 . 2512 . . 204 TRP CB . 25715 1 946 . 1 1 219 219 TRP N N 15 127.082 0.03 . 1 . 1900 . . 204 TRP N . 25715 1 947 . 1 1 220 220 ALA H H 1 9.015 0.002 . 1 . 1973 . . 205 ALA H . 25715 1 948 . 1 1 220 220 ALA C C 13 175.458 0.004 . 1 . 3081 . . 205 ALA C . 25715 1 949 . 1 1 220 220 ALA CA C 13 50.749 0.009 . 1 . 2608 . . 205 ALA CA . 25715 1 950 . 1 1 220 220 ALA CB C 13 21.825 0.017 . 1 . 2609 . . 205 ALA CB . 25715 1 951 . 1 1 220 220 ALA N N 15 121.075 0.024 . 1 . 1974 . . 205 ALA N . 25715 1 952 . 1 1 221 221 LEU H H 1 9.327 0.005 . 1 . 2003 . . 206 LEU H . 25715 1 953 . 1 1 221 221 LEU C C 13 177.895 0.025 . 1 . 2946 . . 206 LEU C . 25715 1 954 . 1 1 221 221 LEU CA C 13 53.909 0.026 . 1 . 2431 . . 206 LEU CA . 25715 1 955 . 1 1 221 221 LEU CB C 13 45.404 0.013 . 1 . 2433 . . 206 LEU CB . 25715 1 956 . 1 1 221 221 LEU N N 15 122.417 0.026 . 1 . 2004 . . 206 LEU N . 25715 1 957 . 1 1 222 222 GLY H H 1 8.626 0.001 . 1 . 1839 . . 207 GLY H . 25715 1 958 . 1 1 222 222 GLY C C 13 174.144 0.0 . 1 . 3090 . . 207 GLY C . 25715 1 959 . 1 1 222 222 GLY CA C 13 46.869 0.014 . 1 . 2432 . . 207 GLY CA . 25715 1 960 . 1 1 222 222 GLY N N 15 111.482 0.025 . 1 . 1840 . . 207 GLY N . 25715 1 961 . 1 1 223 223 PHE H H 1 7.547 0.004 . 1 . 2211 . . 208 PHE H . 25715 1 962 . 1 1 223 223 PHE C C 13 174.985 0.018 . 1 . 3089 . . 208 PHE C . 25715 1 963 . 1 1 223 223 PHE CA C 13 53.826 0.021 . 1 . 2605 . . 208 PHE CA . 25715 1 964 . 1 1 223 223 PHE CB C 13 40.618 0.013 . 1 . 2607 . . 208 PHE CB . 25715 1 965 . 1 1 223 223 PHE N N 15 112.831 0.012 . 1 . 2212 . . 208 PHE N . 25715 1 966 . 1 1 224 224 TYR H H 1 9.092 0.002 . 1 . 1971 . . 209 TYR H . 25715 1 967 . 1 1 224 224 TYR CA C 13 58.063 . . 1 . 2604 . . 209 TYR CA . 25715 1 968 . 1 1 224 224 TYR CB C 13 42.010 . . 1 . 2606 . . 209 TYR CB . 25715 1 969 . 1 1 224 224 TYR N N 15 120.804 0.039 . 1 . 1972 . . 209 TYR N . 25715 1 970 . 1 1 225 225 PRO C C 13 175.221 0.008 . 1 . 2951 . . 210 PRO C . 25715 1 971 . 1 1 225 225 PRO CA C 13 62.203 0.018 . 1 . 2688 . . 210 PRO CA . 25715 1 972 . 1 1 225 225 PRO CB C 13 33.758 0.013 . 1 . 2690 . . 210 PRO CB . 25715 1 973 . 1 1 226 226 ALA H H 1 8.233 0.004 . 1 . 2067 . . 211 ALA H . 25715 1 974 . 1 1 226 226 ALA C C 13 178.190 0.02 . 1 . 2992 . . 211 ALA C . 25715 1 975 . 1 1 226 226 ALA CA C 13 54.601 0.035 . 1 . 2689 . . 211 ALA CA . 25715 1 976 . 1 1 226 226 ALA CB C 13 16.608 . . 1 . 2691 . . 211 ALA CB . 25715 1 977 . 1 1 226 226 ALA N N 15 119.759 0.039 . 1 . 2068 . . 211 ALA N . 25715 1 978 . 1 1 227 227 GLU H H 1 7.403 0.003 . 1 . 2221 . . 212 GLU H . 25715 1 979 . 1 1 227 227 GLU C C 13 173.992 0.009 . 1 . 3098 . . 212 GLU C . 25715 1 980 . 1 1 227 227 GLU CA C 13 57.472 0.03 . 1 . 2725 . . 212 GLU CA . 25715 1 981 . 1 1 227 227 GLU CB C 13 28.451 0.011 . 1 . 2727 . . 212 GLU CB . 25715 1 982 . 1 1 227 227 GLU N N 15 119.232 0.04 . 1 . 2222 . . 212 GLU N . 25715 1 983 . 1 1 228 228 ILE H H 1 7.507 0.004 . 1 . 2107 . . 213 ILE H . 25715 1 984 . 1 1 228 228 ILE C C 13 172.900 0.001 . 1 . 2895 . . 213 ILE C . 25715 1 985 . 1 1 228 228 ILE CA C 13 60.618 . . 1 . 2724 . . 213 ILE CA . 25715 1 986 . 1 1 228 228 ILE CB C 13 39.273 0.014 . 1 . 2726 . . 213 ILE CB . 25715 1 987 . 1 1 228 228 ILE N N 15 124.787 0.022 . 1 . 2108 . . 213 ILE N . 25715 1 988 . 1 1 229 229 THR H H 1 8.244 0.006 . 1 . 2047 . . 214 THR H . 25715 1 989 . 1 1 229 229 THR C C 13 172.500 0.017 . 1 . 3076 . . 214 THR C . 25715 1 990 . 1 1 229 229 THR CA C 13 62.035 0.033 . 1 . 2659 . . 214 THR CA . 25715 1 991 . 1 1 229 229 THR CB C 13 70.642 0.018 . 1 . 2658 . . 214 THR CB . 25715 1 992 . 1 1 229 229 THR N N 15 120.857 0.058 . 1 . 2048 . . 214 THR N . 25715 1 993 . 1 1 230 230 LEU H H 1 8.667 0.005 . 1 . 2021 . . 215 LEU H . 25715 1 994 . 1 1 230 230 LEU C C 13 175.619 0.011 . 1 . 2955 . . 215 LEU C . 25715 1 995 . 1 1 230 230 LEU CA C 13 53.708 0.032 . 1 . 2555 . . 215 LEU CA . 25715 1 996 . 1 1 230 230 LEU CB C 13 44.878 0.005 . 1 . 2556 . . 215 LEU CB . 25715 1 997 . 1 1 230 230 LEU N N 15 128.670 0.029 . 1 . 2022 . . 215 LEU N . 25715 1 998 . 1 1 231 231 THR H H 1 8.628 0.004 . 1 . 1931 . . 216 THR H . 25715 1 999 . 1 1 231 231 THR C C 13 173.302 0.018 . 1 . 2906 . . 216 THR C . 25715 1 1000 . 1 1 231 231 THR CA C 13 60.273 0.033 . 1 . 2554 . . 216 THR CA . 25715 1 1001 . 1 1 231 231 THR CB C 13 71.940 0.027 . 1 . 2553 . . 216 THR CB . 25715 1 1002 . 1 1 231 231 THR N N 15 116.007 0.05 . 1 . 1932 . . 216 THR N . 25715 1 1003 . 1 1 232 232 TRP H H 1 9.120 0.005 . 1 . 2249 . . 217 TRP H . 25715 1 1004 . 1 1 232 232 TRP C C 13 176.127 0.013 . 1 . 3072 . . 217 TRP C . 25715 1 1005 . 1 1 232 232 TRP CA C 13 56.710 0.012 . 1 . 2472 . . 217 TRP CA . 25715 1 1006 . 1 1 232 232 TRP CB C 13 31.989 0.001 . 1 . 2848 . . 217 TRP CB . 25715 1 1007 . 1 1 232 232 TRP N N 15 122.956 0.029 . 1 . 2250 . . 217 TRP N . 25715 1 1008 . 1 1 233 233 GLN H H 1 9.975 0.004 . 1 . 1869 . . 218 GLN H . 25715 1 1009 . 1 1 233 233 GLN C C 13 175.124 0.002 . 1 . 3018 . . 218 GLN C . 25715 1 1010 . 1 1 233 233 GLN CA C 13 53.916 0.015 . 1 . 2471 . . 218 GLN CA . 25715 1 1011 . 1 1 233 233 GLN CB C 13 31.671 0.043 . 1 . 2473 . . 218 GLN CB . 25715 1 1012 . 1 1 233 233 GLN N N 15 119.864 0.031 . 1 . 1870 . . 218 GLN N . 25715 1 1013 . 1 1 234 234 ARG H H 1 8.641 0.004 . 1 . 1977 . . 219 ARG H . 25715 1 1014 . 1 1 234 234 ARG C C 13 176.593 0.016 . 1 . 3064 . . 219 ARG C . 25715 1 1015 . 1 1 234 234 ARG CA C 13 54.374 0.023 . 1 . 2530 . . 219 ARG CA . 25715 1 1016 . 1 1 234 234 ARG CB C 13 31.648 0.024 . 1 . 2531 . . 219 ARG CB . 25715 1 1017 . 1 1 234 234 ARG N N 15 121.628 0.039 . 1 . 1978 . . 219 ARG N . 25715 1 1018 . 1 1 235 235 ASP H H 1 9.363 0.004 . 1 . 1913 . . 220 ASP H . 25715 1 1019 . 1 1 235 235 ASP C C 13 176.254 0.009 . 1 . 2900 . . 220 ASP C . 25715 1 1020 . 1 1 235 235 ASP CA C 13 55.484 0.036 . 1 . 2529 . . 220 ASP CA . 25715 1 1021 . 1 1 235 235 ASP CB C 13 39.430 0.006 . 1 . 2414 . . 220 ASP CB . 25715 1 1022 . 1 1 235 235 ASP N N 15 129.712 0.031 . 1 . 1914 . . 220 ASP N . 25715 1 1023 . 1 1 236 236 GLY H H 1 8.599 0.004 . 1 . 1805 . . 221 GLY H . 25715 1 1024 . 1 1 236 236 GLY C C 13 173.733 0.01 . 1 . 2909 . . 221 GLY C . 25715 1 1025 . 1 1 236 236 GLY CA C 13 45.281 0.01 . 1 . 2413 . . 221 GLY CA . 25715 1 1026 . 1 1 236 236 GLY N N 15 104.046 0.014 . 1 . 1806 . . 221 GLY N . 25715 1 1027 . 1 1 237 237 GLU H H 1 7.959 0.004 . 1 . 2073 . . 222 GLU H . 25715 1 1028 . 1 1 237 237 GLU C C 13 177.226 . . 1 . 3109 . . 222 GLU C . 25715 1 1029 . 1 1 237 237 GLU CA C 13 54.469 . . 1 . 2695 . . 222 GLU CA . 25715 1 1030 . 1 1 237 237 GLU N N 15 120.208 0.033 . 1 . 2074 . . 222 GLU N . 25715 1 1031 . 1 1 241 241 GLN C C 13 176.280 0.01 . 1 . 2894 . . 226 GLN C . 25715 1 1032 . 1 1 241 241 GLN CA C 13 57.480 0.037 . 1 . 2749 . . 226 GLN CA . 25715 1 1033 . 1 1 241 241 GLN CB C 13 28.050 0.011 . 1 . 2748 . . 226 GLN CB . 25715 1 1034 . 1 1 242 242 ASP H H 1 8.007 0.003 . 1 . 2139 . . 227 ASP H . 25715 1 1035 . 1 1 242 242 ASP C C 13 175.601 0.016 . 1 . 3032 . . 227 ASP C . 25715 1 1036 . 1 1 242 242 ASP CA C 13 54.430 0.011 . 1 . 2750 . . 227 ASP CA . 25715 1 1037 . 1 1 242 242 ASP CB C 13 41.560 0.017 . 1 . 2747 . . 227 ASP CB . 25715 1 1038 . 1 1 242 242 ASP N N 15 118.347 0.039 . 1 . 2140 . . 227 ASP N . 25715 1 1039 . 1 1 243 243 THR H H 1 7.662 0.003 . 1 . 2157 . . 228 THR H . 25715 1 1040 . 1 1 243 243 THR C C 13 173.966 0.003 . 1 . 3031 . . 228 THR C . 25715 1 1041 . 1 1 243 243 THR CA C 13 62.454 0.013 . 1 . 2533 . . 228 THR CA . 25715 1 1042 . 1 1 243 243 THR CB C 13 70.233 0.031 . 1 . 2532 . . 228 THR CB . 25715 1 1043 . 1 1 243 243 THR N N 15 116.246 0.01 . 1 . 2158 . . 228 THR N . 25715 1 1044 . 1 1 244 244 GLU H H 1 9.528 0.003 . 1 . 1915 . . 229 GLU H . 25715 1 1045 . 1 1 244 244 GLU C C 13 174.601 0.009 . 1 . 3085 . . 229 GLU C . 25715 1 1046 . 1 1 244 244 GLU CA C 13 55.217 0.013 . 1 . 2534 . . 229 GLU CA . 25715 1 1047 . 1 1 244 244 GLU CB C 13 30.874 0.016 . 1 . 2535 . . 229 GLU CB . 25715 1 1048 . 1 1 244 244 GLU N N 15 129.423 0.016 . 1 . 1916 . . 229 GLU N . 25715 1 1049 . 1 1 245 245 LEU H H 1 8.789 0.003 . 1 . 2025 . . 230 LEU H . 25715 1 1050 . 1 1 245 245 LEU C C 13 177.057 0.017 . 1 . 2929 . . 230 LEU C . 25715 1 1051 . 1 1 245 245 LEU CA C 13 53.656 0.032 . 1 . 2660 . . 230 LEU CA . 25715 1 1052 . 1 1 245 245 LEU CB C 13 44.370 0.015 . 1 . 2661 . . 230 LEU CB . 25715 1 1053 . 1 1 245 245 LEU N N 15 128.272 0.026 . 1 . 2026 . . 230 LEU N . 25715 1 1054 . 1 1 246 246 VAL H H 1 6.685 0.003 . 1 . 2189 . . 231 VAL H . 25715 1 1055 . 1 1 246 246 VAL C C 13 175.885 0.008 . 1 . 4948 . . 231 VAL C . 25715 1 1056 . 1 1 246 246 VAL CA C 13 59.073 0.033 . 1 . 2676 . . 231 VAL CA . 25715 1 1057 . 1 1 246 246 VAL CB C 13 31.927 0.013 . 1 . 2677 . . 231 VAL CB . 25715 1 1058 . 1 1 246 246 VAL N N 15 116.389 0.029 . 1 . 2190 . . 231 VAL N . 25715 1 1059 . 1 1 247 247 GLU H H 1 8.311 0.003 . 1 . 2127 . . 232 GLU H . 25715 1 1060 . 1 1 247 247 GLU C C 13 176.085 0.035 . 1 . 3033 . . 232 GLU C . 25715 1 1061 . 1 1 247 247 GLU CA C 13 56.365 0.023 . 1 . 2645 . . 232 GLU CA . 25715 1 1062 . 1 1 247 247 GLU CB C 13 28.997 0.013 . 1 . 2643 . . 232 GLU CB . 25715 1 1063 . 1 1 247 247 GLU N N 15 124.191 0.031 . 1 . 2128 . . 232 GLU N . 25715 1 1064 . 1 1 248 248 THR H H 1 8.702 0.004 . 1 . 2011 . . 233 THR H . 25715 1 1065 . 1 1 248 248 THR C C 13 174.033 0.006 . 1 . 2958 . . 233 THR C . 25715 1 1066 . 1 1 248 248 THR CA C 13 64.348 0.042 . 1 . 2619 . . 233 THR CA . 25715 1 1067 . 1 1 248 248 THR CB C 13 68.360 0.041 . 1 . 2618 . . 233 THR CB . 25715 1 1068 . 1 1 248 248 THR N N 15 122.673 0.026 . 1 . 2012 . . 233 THR N . 25715 1 1069 . 1 1 249 249 ARG H H 1 8.974 0.003 . 1 . 1987 . . 234 ARG H . 25715 1 1070 . 1 1 249 249 ARG C C 13 172.655 . . 1 . 3113 . . 234 ARG C . 25715 1 1071 . 1 1 249 249 ARG CA C 13 50.575 . . 1 . 2616 . . 234 ARG CA . 25715 1 1072 . 1 1 249 249 ARG CB C 13 29.951 . . 1 . 2617 . . 234 ARG CB . 25715 1 1073 . 1 1 249 249 ARG N N 15 125.089 0.049 . 1 . 1988 . . 234 ARG N . 25715 1 1074 . 1 1 250 250 PRO C C 13 177.617 0.022 . 1 . 2993 . . 235 PRO C . 25715 1 1075 . 1 1 250 250 PRO CA C 13 61.290 0.034 . 1 . 2614 . . 235 PRO CA . 25715 1 1076 . 1 1 250 250 PRO CB C 13 31.064 0.002 . 1 . 2615 . . 235 PRO CB . 25715 1 1077 . 1 1 251 251 ALA H H 1 9.027 0.004 . 1 . 1981 . . 236 ALA H . 25715 1 1078 . 1 1 251 251 ALA C C 13 178.289 0.008 . 1 . 2936 . . 236 ALA C . 25715 1 1079 . 1 1 251 251 ALA CA C 13 53.343 0.019 . 1 . 2388 . . 236 ALA CA . 25715 1 1080 . 1 1 251 251 ALA CB C 13 19.345 0.039 . 1 . 2390 . . 236 ALA CB . 25715 1 1081 . 1 1 251 251 ALA N N 15 125.777 0.039 . 1 . 1982 . . 236 ALA N . 25715 1 1082 . 1 1 252 252 GLY H H 1 8.615 0.004 . 1 . 1801 . . 237 GLY H . 25715 1 1083 . 1 1 252 252 GLY C C 13 172.618 0.017 . 1 . 3020 . . 237 GLY C . 25715 1 1084 . 1 1 252 252 GLY CA C 13 43.997 0.004 . 1 . 2389 . . 237 GLY CA . 25715 1 1085 . 1 1 252 252 GLY N N 15 106.333 0.045 . 1 . 1802 . . 237 GLY N . 25715 1 1086 . 1 1 253 253 ASP H H 1 7.462 0.007 . 1 . 2173 . . 238 ASP H . 25715 1 1087 . 1 1 253 253 ASP C C 13 175.587 0.011 . 1 . 4949 . . 238 ASP C . 25715 1 1088 . 1 1 253 253 ASP CA C 13 52.055 . . 1 . 2782 . . 238 ASP CA . 25715 1 1089 . 1 1 253 253 ASP CB C 13 39.955 . . 1 . 2783 . . 238 ASP CB . 25715 1 1090 . 1 1 253 253 ASP N N 15 120.211 0.026 . 1 . 2174 . . 238 ASP N . 25715 1 1091 . 1 1 254 254 ARG H H 1 7.968 0.002 . 1 . 2299 . . 239 ARG H . 25715 1 1092 . 1 1 254 254 ARG C C 13 175.841 0.004 . 1 . 2908 . . 239 ARG C . 25715 1 1093 . 1 1 254 254 ARG CA C 13 62.530 . . 1 . 2878 . . 239 ARG CA . 25715 1 1094 . 1 1 254 254 ARG CB C 13 28.511 . . 1 . 2877 . . 239 ARG CB . 25715 1 1095 . 1 1 254 254 ARG N N 15 116.494 0.027 . 1 . 2300 . . 239 ARG N . 25715 1 1096 . 1 1 255 255 THR H H 1 7.757 0.005 . 1 . 1819 . . 240 THR H . 25715 1 1097 . 1 1 255 255 THR C C 13 174.651 0.013 . 1 . 2954 . . 240 THR C . 25715 1 1098 . 1 1 255 255 THR CA C 13 60.980 0.049 . 1 . 2403 . . 240 THR CA . 25715 1 1099 . 1 1 255 255 THR CB C 13 71.617 0.077 . 1 . 2402 . . 240 THR CB . 25715 1 1100 . 1 1 255 255 THR N N 15 108.881 0.143 . 1 . 1820 . . 240 THR N . 25715 1 1101 . 1 1 256 256 PHE H H 1 8.758 0.004 . 1 . 2033 . . 241 PHE H . 25715 1 1102 . 1 1 256 256 PHE C C 13 172.426 0.012 . 1 . 3026 . . 241 PHE C . 25715 1 1103 . 1 1 256 256 PHE CA C 13 57.337 0.029 . 1 . 2427 . . 241 PHE CA . 25715 1 1104 . 1 1 256 256 PHE CB C 13 43.250 0.012 . 1 . 2429 . . 241 PHE CB . 25715 1 1105 . 1 1 256 256 PHE N N 15 120.020 0.026 . 1 . 2034 . . 241 PHE N . 25715 1 1106 . 1 1 257 257 GLN H H 1 8.700 0.005 . 1 . 1837 . . 242 GLN H . 25715 1 1107 . 1 1 257 257 GLN C C 13 175.844 0.012 . 1 . 3120 . . 242 GLN C . 25715 1 1108 . 1 1 257 257 GLN CA C 13 52.981 . . 1 . 2428 . . 242 GLN CA . 25715 1 1109 . 1 1 257 257 GLN CB C 13 32.672 . . 1 . 2430 . . 242 GLN CB . 25715 1 1110 . 1 1 257 257 GLN N N 15 112.225 0.035 . 1 . 1838 . . 242 GLN N . 25715 1 1111 . 1 1 258 258 LYS H H 1 9.662 0.002 . 1 . 1877 . . 243 LYS H . 25715 1 1112 . 1 1 258 258 LYS C C 13 172.341 0.01 . 1 . 3087 . . 243 LYS C . 25715 1 1113 . 1 1 258 258 LYS CA C 13 57.277 0.023 . 1 . 2798 . . 243 LYS CA . 25715 1 1114 . 1 1 258 258 LYS CB C 13 38.043 0.006 . 1 . 2799 . . 243 LYS CB . 25715 1 1115 . 1 1 258 258 LYS N N 15 120.996 0.054 . 1 . 1878 . . 243 LYS N . 25715 1 1116 . 1 1 259 259 TRP H H 1 6.306 0.004 . 1 . 2193 . . 244 TRP H . 25715 1 1117 . 1 1 259 259 TRP C C 13 174.295 0.005 . 1 . 2923 . . 244 TRP C . 25715 1 1118 . 1 1 259 259 TRP CA C 13 54.948 0.002 . 1 . 2597 . . 244 TRP CA . 25715 1 1119 . 1 1 259 259 TRP CB C 13 33.379 0.019 . 1 . 2598 . . 244 TRP CB . 25715 1 1120 . 1 1 259 259 TRP N N 15 116.618 0.021 . 1 . 2194 . . 244 TRP N . 25715 1 1121 . 1 1 260 260 ALA H H 1 8.778 0.005 . 1 . 1961 . . 245 ALA H . 25715 1 1122 . 1 1 260 260 ALA C C 13 177.787 0.022 . 1 . 2928 . . 245 ALA C . 25715 1 1123 . 1 1 260 260 ALA CA C 13 50.434 0.016 . 1 . 2522 . . 245 ALA CA . 25715 1 1124 . 1 1 260 260 ALA CB C 13 23.122 0.041 . 1 . 2521 . . 245 ALA CB . 25715 1 1125 . 1 1 260 260 ALA N N 15 119.540 0.019 . 1 . 1962 . . 245 ALA N . 25715 1 1126 . 1 1 261 261 ALA H H 1 10.770 0.001 . 1 . 1907 . . 246 ALA H . 25715 1 1127 . 1 1 261 261 ALA C C 13 174.940 0.005 . 1 . 2966 . . 246 ALA C . 25715 1 1128 . 1 1 261 261 ALA CA C 13 50.874 0.044 . 1 . 2519 . . 246 ALA CA . 25715 1 1129 . 1 1 261 261 ALA CB C 13 23.881 0.013 . 1 . 2520 . . 246 ALA CB . 25715 1 1130 . 1 1 261 261 ALA N N 15 131.735 0.036 . 1 . 1908 . . 246 ALA N . 25715 1 1131 . 1 1 262 262 VAL H H 1 8.355 0.011 . 1 . 1949 . . 247 VAL H . 25715 1 1132 . 1 1 262 262 VAL C C 13 172.722 0.005 . 1 . 3086 . . 247 VAL C . 25715 1 1133 . 1 1 262 262 VAL CA C 13 59.098 0.023 . 1 . 2584 . . 247 VAL CA . 25715 1 1134 . 1 1 262 262 VAL CB C 13 34.925 0.014 . 1 . 2582 . . 247 VAL CB . 25715 1 1135 . 1 1 262 262 VAL N N 15 117.815 0.078 . 1 . 1950 . . 247 VAL N . 25715 1 1136 . 1 1 263 263 VAL H H 1 8.177 0.003 . 1 . 2115 . . 248 VAL H . 25715 1 1137 . 1 1 263 263 VAL C C 13 176.147 0.01 . 1 . 3007 . . 248 VAL C . 25715 1 1138 . 1 1 263 263 VAL CA C 13 61.947 0.021 . 1 . 2625 . . 248 VAL CA . 25715 1 1139 . 1 1 263 263 VAL CB C 13 30.980 0.02 . 1 . 2734 . . 248 VAL CB . 25715 1 1140 . 1 1 263 263 VAL N N 15 126.041 0.038 . 1 . 2116 . . 248 VAL N . 25715 1 1141 . 1 1 264 264 VAL H H 1 9.235 0.003 . 1 . 1993 . . 249 VAL H . 25715 1 1142 . 1 1 264 264 VAL C C 13 172.543 . . 1 . 3116 . . 249 VAL C . 25715 1 1143 . 1 1 264 264 VAL CA C 13 56.701 . . 1 . 2626 . . 249 VAL CA . 25715 1 1144 . 1 1 264 264 VAL CB C 13 32.023 . . 1 . 2627 . . 249 VAL CB . 25715 1 1145 . 1 1 264 264 VAL N N 15 124.201 0.079 . 1 . 1994 . . 249 VAL N . 25715 1 1146 . 1 1 265 265 PRO C C 13 177.846 0.027 . 1 . 3000 . . 250 PRO C . 25715 1 1147 . 1 1 265 265 PRO CA C 13 61.218 0.064 . 1 . 2693 . . 250 PRO CA . 25715 1 1148 . 1 1 265 265 PRO CB C 13 31.070 0.01 . 1 . 2694 . . 250 PRO CB . 25715 1 1149 . 1 1 266 266 SER H H 1 8.084 0.007 . 1 . 2069 . . 251 SER H . 25715 1 1150 . 1 1 266 266 SER C C 13 176.356 0.04 . 1 . 4950 . . 251 SER C . 25715 1 1151 . 1 1 266 266 SER CA C 13 59.435 0.041 . 1 . 2463 . . 251 SER CA . 25715 1 1152 . 1 1 266 266 SER CB C 13 62.403 0.037 . 1 . 2692 . . 251 SER CB . 25715 1 1153 . 1 1 266 266 SER N N 15 120.344 0.009 . 1 . 2070 . . 251 SER N . 25715 1 1154 . 1 1 267 267 GLY H H 1 9.569 0.003 . 1 . 1863 . . 252 GLY H . 25715 1 1155 . 1 1 267 267 GLY C C 13 175.800 0.007 . 1 . 2950 . . 252 GLY C . 25715 1 1156 . 1 1 267 267 GLY CA C 13 45.190 0.006 . 1 . 2464 . . 252 GLY CA . 25715 1 1157 . 1 1 267 267 GLY N N 15 117.829 0.029 . 1 . 1864 . . 252 GLY N . 25715 1 1158 . 1 1 268 268 GLU H H 1 8.212 0.002 . 1 . 2063 . . 253 GLU H . 25715 1 1159 . 1 1 268 268 GLU C C 13 177.610 0.013 . 1 . 3022 . . 253 GLU C . 25715 1 1160 . 1 1 268 268 GLU CA C 13 55.649 0.041 . 1 . 2491 . . 253 GLU CA . 25715 1 1161 . 1 1 268 268 GLU CB C 13 29.201 0.058 . 1 . 2492 . . 253 GLU CB . 25715 1 1162 . 1 1 268 268 GLU N N 15 119.960 0.027 . 1 . 2064 . . 253 GLU N . 25715 1 1163 . 1 1 269 269 GLU H H 1 10.435 0.004 . 1 . 1885 . . 254 GLU H . 25715 1 1164 . 1 1 269 269 GLU C C 13 179.090 0.017 . 1 . 2933 . . 254 GLU C . 25715 1 1165 . 1 1 269 269 GLU CA C 13 62.242 0.031 . 1 . 2422 . . 254 GLU CA . 25715 1 1166 . 1 1 269 269 GLU CB C 13 29.087 0.023 . 1 . 2420 . . 254 GLU CB . 25715 1 1167 . 1 1 269 269 GLU N N 15 121.352 0.036 . 1 . 1886 . . 254 GLU N . 25715 1 1168 . 1 1 270 270 GLN H H 1 9.072 0.003 . 1 . 1833 . . 255 GLN H . 25715 1 1169 . 1 1 270 270 GLN C C 13 177.163 0.014 . 1 . 3046 . . 255 GLN C . 25715 1 1170 . 1 1 270 270 GLN CA C 13 57.581 0.036 . 1 . 2419 . . 255 GLN CA . 25715 1 1171 . 1 1 270 270 GLN CB C 13 27.112 0.04 . 1 . 2421 . . 255 GLN CB . 25715 1 1172 . 1 1 270 270 GLN N N 15 114.657 0.024 . 1 . 1834 . . 255 GLN N . 25715 1 1173 . 1 1 271 271 ARG H H 1 8.333 0.002 . 1 . 1967 . . 256 ARG H . 25715 1 1174 . 1 1 271 271 ARG C C 13 176.334 0.006 . 1 . 2899 . . 256 ARG C . 25715 1 1175 . 1 1 271 271 ARG CA C 13 56.941 0.018 . 1 . 2602 . . 256 ARG CA . 25715 1 1176 . 1 1 271 271 ARG CB C 13 30.015 0.011 . 1 . 2603 . . 256 ARG CB . 25715 1 1177 . 1 1 271 271 ARG N N 15 118.728 0.026 . 1 . 1968 . . 256 ARG N . 25715 1 1178 . 1 1 272 272 TYR H H 1 8.069 0.001 . 1 . 2071 . . 257 TYR H . 25715 1 1179 . 1 1 272 272 TYR C C 13 176.390 0.002 . 1 . 2949 . . 257 TYR C . 25715 1 1180 . 1 1 272 272 TYR CA C 13 57.378 0.027 . 1 . 2425 . . 257 TYR CA . 25715 1 1181 . 1 1 272 272 TYR CB C 13 39.557 0.01 . 1 . 2426 . . 257 TYR CB . 25715 1 1182 . 1 1 272 272 TYR N N 15 120.779 0.025 . 1 . 2072 . . 257 TYR N . 25715 1 1183 . 1 1 273 273 THR H H 1 9.432 0.002 . 1 . 1835 . . 258 THR H . 25715 1 1184 . 1 1 273 273 THR C C 13 172.394 0.004 . 1 . 3075 . . 258 THR C . 25715 1 1185 . 1 1 273 273 THR CA C 13 59.093 0.036 . 1 . 2424 . . 258 THR CA . 25715 1 1186 . 1 1 273 273 THR CB C 13 70.936 0.017 . 1 . 2423 . . 258 THR CB . 25715 1 1187 . 1 1 273 273 THR N N 15 113.884 0.032 . 1 . 1836 . . 258 THR N . 25715 1 1188 . 1 1 274 274 CYS H H 1 9.194 0.002 . 1 . 1983 . . 259 CYS H . 25715 1 1189 . 1 1 274 274 CYS C C 13 172.312 0.005 . 1 . 2997 . . 259 CYS C . 25715 1 1190 . 1 1 274 274 CYS CA C 13 51.754 0.047 . 1 . 2541 . . 259 CYS CA . 25715 1 1191 . 1 1 274 274 CYS CB C 13 40.255 0.016 . 1 . 2542 . . 259 CYS CB . 25715 1 1192 . 1 1 274 274 CYS N N 15 125.466 0.042 . 1 . 1984 . . 259 CYS N . 25715 1 1193 . 1 1 275 275 HIS H H 1 9.290 0.001 . 1 . 1919 . . 260 HIS H . 25715 1 1194 . 1 1 275 275 HIS C C 13 174.887 0.007 . 1 . 3006 . . 260 HIS C . 25715 1 1195 . 1 1 275 275 HIS CA C 13 54.444 0.009 . 1 . 2540 . . 260 HIS CA . 25715 1 1196 . 1 1 275 275 HIS CB C 13 30.707 0.022 . 1 . 2543 . . 260 HIS CB . 25715 1 1197 . 1 1 275 275 HIS N N 15 129.222 0.048 . 1 . 1920 . . 260 HIS N . 25715 1 1198 . 1 1 276 276 VAL H H 1 8.557 0.002 . 1 . 2121 . . 261 VAL H . 25715 1 1199 . 1 1 276 276 VAL C C 13 174.359 0.005 . 1 . 2931 . . 261 VAL C . 25715 1 1200 . 1 1 276 276 VAL CA C 13 60.585 0.006 . 1 . 2739 . . 261 VAL CA . 25715 1 1201 . 1 1 276 276 VAL CB C 13 40.427 9.478 . 1 . 2738 . . 261 VAL CB . 25715 1 1202 . 1 1 276 276 VAL N N 15 125.438 0.108 . 1 . 2122 . . 261 VAL N . 25715 1 1203 . 1 1 277 277 GLN H H 1 8.569 0.004 . 1 . 2125 . . 262 GLN H . 25715 1 1204 . 1 1 277 277 GLN C C 13 173.927 0.007 . 1 . 2919 . . 262 GLN C . 25715 1 1205 . 1 1 277 277 GLN CA C 13 54.050 0.015 . 1 . 2704 . . 262 GLN CA . 25715 1 1206 . 1 1 277 277 GLN CB C 13 31.123 0.01 . 1 . 2705 . . 262 GLN CB . 25715 1 1207 . 1 1 277 277 GLN N N 15 125.018 0.078 . 1 . 2126 . . 262 GLN N . 25715 1 1208 . 1 1 278 278 HIS H H 1 8.133 0.001 . 1 . 2087 . . 263 HIS H . 25715 1 1209 . 1 1 278 278 HIS C C 13 175.288 0.003 . 1 . 3013 . . 263 HIS C . 25715 1 1210 . 1 1 278 278 HIS CA C 13 57.854 0.02 . 1 . 2656 . . 263 HIS CA . 25715 1 1211 . 1 1 278 278 HIS CB C 13 35.683 0.013 . 1 . 2657 . . 263 HIS CB . 25715 1 1212 . 1 1 278 278 HIS N N 15 123.313 0.04 . 1 . 2088 . . 263 HIS N . 25715 1 1213 . 1 1 279 279 GLU H H 1 8.394 0.002 . 1 . 2019 . . 264 GLU H . 25715 1 1214 . 1 1 279 279 GLU C C 13 177.077 0.004 . 1 . 2901 . . 264 GLU C . 25715 1 1215 . 1 1 279 279 GLU CA C 13 58.718 0.032 . 1 . 2393 . . 264 GLU CA . 25715 1 1216 . 1 1 279 279 GLU CB C 13 29.359 0.012 . 1 . 2392 . . 264 GLU CB . 25715 1 1217 . 1 1 279 279 GLU N N 15 127.446 0.05 . 1 . 2020 . . 264 GLU N . 25715 1 1218 . 1 1 280 280 GLY H H 1 10.709 0.005 . 1 . 1807 . . 265 GLY H . 25715 1 1219 . 1 1 280 280 GLY C C 13 173.437 0.017 . 1 . 3012 . . 265 GLY C . 25715 1 1220 . 1 1 280 280 GLY CA C 13 45.006 0.012 . 1 . 2391 . . 265 GLY CA . 25715 1 1221 . 1 1 280 280 GLY N N 15 110.978 0.048 . 1 . 1808 . . 265 GLY N . 25715 1 1222 . 1 1 281 281 LEU H H 1 8.121 0.003 . 1 . 2081 . . 266 LEU H . 25715 1 1223 . 1 1 281 281 LEU C C 13 175.737 . . 1 . 3118 . . 266 LEU C . 25715 1 1224 . 1 1 281 281 LEU CA C 13 51.192 . . 1 . 2702 . . 266 LEU CA . 25715 1 1225 . 1 1 281 281 LEU CB C 13 41.552 . . 1 . 2703 . . 266 LEU CB . 25715 1 1226 . 1 1 281 281 LEU N N 15 122.385 0.033 . 1 . 2082 . . 266 LEU N . 25715 1 1227 . 1 1 282 282 PRO C C 13 175.943 . . 1 . 2897 . . 267 PRO C . 25715 1 1228 . 1 1 282 282 PRO CA C 13 63.490 0.003 . 1 . 2700 . . 267 PRO CA . 25715 1 1229 . 1 1 282 282 PRO CB C 13 31.097 0.018 . 1 . 2699 . . 267 PRO CB . 25715 1 1230 . 1 1 283 283 LYS H H 1 7.989 0.014 . 1 . 2077 . . 268 LYS H . 25715 1 1231 . 1 1 283 283 LYS CA C 13 54.045 . . 1 . 2701 . . 268 LYS CA . 25715 1 1232 . 1 1 283 283 LYS CB C 13 31.950 . . 1 . 2698 . . 268 LYS CB . 25715 1 1233 . 1 1 283 283 LYS N N 15 121.626 0.082 . 1 . 2078 . . 268 LYS N . 25715 1 1234 . 1 1 284 284 PRO CA C 13 63.142 0.037 . 1 . 2678 . . 269 PRO CA . 25715 1 1235 . 1 1 284 284 PRO CB C 13 31.661 . . 1 . 2883 . . 269 PRO CB . 25715 1 1236 . 1 1 285 285 LEU H H 1 8.422 0.006 . 1 . 2131 . . 270 LEU H . 25715 1 1237 . 1 1 285 285 LEU C C 13 176.832 . . 1 . 4951 . . 270 LEU C . 25715 1 1238 . 1 1 285 285 LEU CA C 13 53.672 0.029 . 1 . 2679 . . 270 LEU CA . 25715 1 1239 . 1 1 285 285 LEU CB C 13 44.606 0.006 . 1 . 2585 . . 270 LEU CB . 25715 1 1240 . 1 1 285 285 LEU N N 15 123.727 0.025 . 1 . 2132 . . 270 LEU N . 25715 1 1241 . 1 1 286 286 THR H H 1 8.331 0.009 . 1 . 1951 . . 271 THR H . 25715 1 1242 . 1 1 286 286 THR C C 13 173.912 0.004 . 1 . 2998 . . 271 THR C . 25715 1 1243 . 1 1 286 286 THR CA C 13 61.067 0.045 . 1 . 2507 . . 271 THR CA . 25715 1 1244 . 1 1 286 286 THR CB C 13 70.033 0.037 . 1 . 2506 . . 271 THR CB . 25715 1 1245 . 1 1 286 286 THR N N 15 117.677 0.029 . 1 . 1952 . . 271 THR N . 25715 1 1246 . 1 1 287 287 LEU H H 1 9.514 0.004 . 1 . 1897 . . 272 LEU H . 25715 1 1247 . 1 1 287 287 LEU C C 13 175.094 0.005 . 1 . 2924 . . 272 LEU C . 25715 1 1248 . 1 1 287 287 LEU CA C 13 54.489 0.029 . 1 . 2592 . . 272 LEU CA . 25715 1 1249 . 1 1 287 287 LEU CB C 13 44.544 0.005 . 1 . 2508 . . 272 LEU CB . 25715 1 1250 . 1 1 287 287 LEU N N 15 127.388 0.033 . 1 . 1898 . . 272 LEU N . 25715 1 1251 . 1 1 288 288 ARG H H 1 8.461 0.002 . 1 . 1957 . . 273 ARG H . 25715 1 1252 . 1 1 288 288 ARG C C 13 175.389 0.011 . 1 . 2972 . . 273 ARG C . 25715 1 1253 . 1 1 288 288 ARG CA C 13 54.309 0.107 . 1 . 2484 . . 273 ARG CA . 25715 1 1254 . 1 1 288 288 ARG CB C 13 33.676 0.011 . 1 . 2485 . . 273 ARG CB . 25715 1 1255 . 1 1 288 288 ARG N N 15 118.737 0.029 . 1 . 1958 . . 273 ARG N . 25715 1 1256 . 1 1 289 289 TRP H H 1 9.793 0.003 . 1 . 1881 . . 274 TRP H . 25715 1 1257 . 1 1 289 289 TRP C C 13 174.859 0.001 . 1 . 2967 . . 274 TRP C . 25715 1 1258 . 1 1 289 289 TRP CA C 13 58.117 0.002 . 1 . 2483 . . 274 TRP CA . 25715 1 1259 . 1 1 289 289 TRP CB C 13 28.817 0.009 . 1 . 2486 . . 274 TRP CB . 25715 1 1260 . 1 1 289 289 TRP N N 15 123.860 0.046 . 1 . 1882 . . 274 TRP N . 25715 1 1261 . 1 1 290 290 GLU H H 1 7.685 0.007 . 1 . 2111 . . 275 GLU H . 25715 1 1262 . 1 1 290 290 GLU CA C 13 52.506 . . 1 . 2730 . . 275 GLU CA . 25715 1 1263 . 1 1 290 290 GLU CB C 13 30.224 . . 1 . 2731 . . 275 GLU CB . 25715 1 1264 . 1 1 290 290 GLU N N 15 128.449 0.01 . 1 . 2112 . . 275 GLU N . 25715 1 1265 . 1 1 291 291 PRO C C 13 176.357 . . 1 . 4952 . . 276 PRO C . 25715 1 1266 . 1 1 291 291 PRO CA C 13 62.608 0.036 . 1 . 2716 . . 276 PRO CA . 25715 1 1267 . 1 1 291 291 PRO CB C 13 31.125 0.006 . 1 . 2718 . . 276 PRO CB . 25715 1 1268 . 1 1 292 292 SER H H 1 7.771 0.003 . 1 . 2099 . . 277 SER H . 25715 1 1269 . 1 1 292 292 SER CA C 13 59.622 . . 1 . 2717 . . 277 SER CA . 25715 1 1270 . 1 1 292 292 SER CB C 13 64.555 . . 1 . 2715 . . 277 SER CB . 25715 1 1271 . 1 1 292 292 SER N N 15 121.929 0.014 . 1 . 2100 . . 277 SER N . 25715 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25715 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition1 _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 '3D HNCA' 1 $1 isotropic 25715 2 2 '3D HN(CO)CA' 1 $1 isotropic 25715 2 3 '3D HN(COCA)CB' 1 $1 isotropic 25715 2 4 '3D HNCACB' 1 $1 isotropic 25715 2 5 '3D HNCO' 1 $1 isotropic 25715 2 6 '3D HN(CA)CO' 1 $1 isotropic 25715 2 7 '2D 1H-15N HSQC' . . . 25715 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25715 2 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.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 17 17 SER H H 1 7.801 . . 1 . 1606 . . 2 SER H . 25715 2 2 . 1 1 17 17 SER N N 15 115.058 . . 1 . 1607 . . 2 SER N . 25715 2 3 . 1 1 22 22 TYR H H 1 8.621 . . 1 . 1610 . . 7 TYR H . 25715 2 4 . 1 1 22 22 TYR N N 15 118.875 . . 1 . 1611 . . 7 TYR N . 25715 2 5 . 1 1 26 26 SER H H 1 9.439 . . 1 . 1576 . . 11 SER H . 25715 2 6 . 1 1 26 26 SER N N 15 123.616 . . 1 . 1577 . . 11 SER N . 25715 2 7 . 1 1 28 28 SER H H 1 9.454 . . 1 . 1612 . . 13 SER H . 25715 2 8 . 1 1 28 28 SER N N 15 122.228 . . 1 . 1613 . . 13 SER N . 25715 2 9 . 1 1 36 36 ARG H H 1 8.609 . . 1 . 1586 . . 21 ARG H . 25715 2 10 . 1 1 36 36 ARG N N 15 126.578 . . 1 . 1587 . . 21 ARG N . 25715 2 11 . 1 1 38 38 ILE H H 1 8.758 . . 1 . 1616 . . 23 ILE H . 25715 2 12 . 1 1 38 38 ILE N N 15 125.707 . . 1 . 1617 . . 23 ILE N . 25715 2 13 . 1 1 50 50 ARG H H 1 8.422 . . 1 . 1600 . . 35 ARG H . 25715 2 14 . 1 1 50 50 ARG N N 15 114.789 . . 1 . 1601 . . 35 ARG N . 25715 2 15 . 1 1 51 51 PHE H H 1 9.132 . . 1 . 1584 . . 36 PHE H . 25715 2 16 . 1 1 51 51 PHE N N 15 123.763 . . 1 . 1585 . . 36 PHE N . 25715 2 17 . 1 1 52 52 ASP H H 1 8.063 . . 1 . 1618 . . 37 ASP H . 25715 2 18 . 1 1 52 52 ASP N N 15 129.640 . . 1 . 1619 . . 37 ASP N . 25715 2 19 . 1 1 83 83 LYS H H 1 8.129 . . 1 . 1588 . . 68 LYS H . 25715 2 20 . 1 1 83 83 LYS N N 15 117.757 . . 1 . 1589 . . 68 LYS N . 25715 2 21 . 1 1 87 87 GLN H H 1 7.413 . . 1 . 1654 . . 72 GLN H . 25715 2 22 . 1 1 87 87 GLN N N 15 116.788 . . 1 . 1655 . . 72 GLN N . 25715 2 23 . 1 1 91 91 GLU H H 1 7.563 . . 1 . 2651 . . 76 GLU H . 25715 2 24 . 1 1 91 91 GLU N N 15 120.097 . . 1 . 2652 . . 76 GLU N . 25715 2 25 . 1 1 93 93 LEU H H 1 8.738 . . 1 . 1594 . . 78 LEU H . 25715 2 26 . 1 1 93 93 LEU N N 15 120.550 . . 1 . 1595 . . 78 LEU N . 25715 2 27 . 1 1 94 94 ARG H H 1 7.141 . . 1 . 1574 . . 79 ARG H . 25715 2 28 . 1 1 94 94 ARG N N 15 119.155 . . 1 . 1575 . . 79 ARG N . 25715 2 29 . 1 1 95 95 THR H H 1 8.411 . . 1 . 1604 . . 80 THR H . 25715 2 30 . 1 1 95 95 THR N N 15 121.498 . . 1 . 1605 . . 80 THR N . 25715 2 31 . 1 1 102 102 GLN H H 1 8.940 . . 1 . 1620 . . 87 GLN H . 25715 2 32 . 1 1 102 102 GLN N N 15 118.511 . . 1 . 1621 . . 87 GLN N . 25715 2 33 . 1 1 110 110 LEU H H 1 10.012 . . 1 . 1608 . . 95 LEU H . 25715 2 34 . 1 1 110 110 LEU N N 15 131.517 . . 1 . 1609 . . 95 LEU N . 25715 2 35 . 1 1 111 111 GLN H H 1 9.240 . . 1 . 1622 . . 96 GLN H . 25715 2 36 . 1 1 111 111 GLN N N 15 125.880 . . 1 . 1623 . . 96 GLN N . 25715 2 37 . 1 1 112 112 ASN H H 1 9.227 . . 1 . 1592 . . 97 ASN H . 25715 2 38 . 1 1 112 112 ASN N N 15 118.229 . . 1 . 1593 . . 97 ASN N . 25715 2 39 . 1 1 116 116 CYS H H 1 8.916 . . 1 . 1624 . . 101 CYS H . 25715 2 40 . 1 1 116 116 CYS N N 15 111.553 . . 1 . 1625 . . 101 CYS N . 25715 2 41 . 1 1 117 117 ASP H H 1 8.995 . . 1 . 1582 . . 102 ASP H . 25715 2 42 . 1 1 117 117 ASP N N 15 122.104 . . 1 . 1583 . . 102 ASP N . 25715 2 43 . 1 1 127 127 GLY H H 1 8.611 . . 1 . 1626 . . 112 GLY H . 25715 2 44 . 1 1 127 127 GLY N N 15 110.923 . . 1 . 1627 . . 112 GLY N . 25715 2 45 . 1 1 133 133 TYR H H 1 8.631 . . 1 . 1634 . . 118 TYR H . 25715 2 46 . 1 1 133 133 TYR N N 15 122.427 . . 1 . 1635 . . 118 TYR N . 25715 2 47 . 1 1 134 134 ASP H H 1 9.690 . . 1 . 1628 . . 119 ASP H . 25715 2 48 . 1 1 134 134 ASP N N 15 129.539 . . 1 . 1629 . . 119 ASP N . 25715 2 49 . 1 1 135 135 GLY H H 1 9.277 . . 1 . 1630 . . 120 GLY H . 25715 2 50 . 1 1 135 135 GLY N N 15 102.377 . . 1 . 1631 . . 120 GLY N . 25715 2 51 . 1 1 136 136 LYS H H 1 7.414 . . 1 . 1632 . . 121 LYS H . 25715 2 52 . 1 1 136 136 LYS N N 15 119.664 . . 1 . 1633 . . 121 LYS N . 25715 2 53 . 1 1 142 142 ASN H H 1 8.848 . . 1 . 1636 . . 127 ASN H . 25715 2 54 . 1 1 142 142 ASN N N 15 127.140 . . 1 . 1637 . . 127 ASN N . 25715 2 55 . 1 1 147 147 SER H H 1 8.254 . . 1 . 1602 . . 132 SER H . 25715 2 56 . 1 1 147 147 SER N N 15 117.328 . . 1 . 1603 . . 132 SER N . 25715 2 57 . 1 1 150 150 ALA H H 1 9.178 . . 1 . 1598 . . 135 ALA H . 25715 2 58 . 1 1 150 150 ALA N N 15 133.775 . . 1 . 1599 . . 135 ALA N . 25715 2 59 . 1 1 151 151 ALA H H 1 8.381 . . 1 . 1570 . . 136 ALA H . 25715 2 60 . 1 1 151 151 ALA N N 15 125.247 . . 1 . 1571 . . 136 ALA N . 25715 2 61 . 1 1 155 155 ALA H H 1 8.214 . . 1 . 1578 . . 140 ALA H . 25715 2 62 . 1 1 155 155 ALA N N 15 119.010 . . 1 . 1579 . . 140 ALA N . 25715 2 63 . 1 1 160 160 ARG H H 1 7.844 . . 1 . 1640 . . 145 ARG H . 25715 2 64 . 1 1 160 160 ARG N N 15 117.882 . . 1 . 1641 . . 145 ARG N . 25715 2 65 . 1 1 161 161 LYS H H 1 7.671 . . 1 . 1596 . . 146 LYS H . 25715 2 66 . 1 1 161 161 LYS N N 15 121.047 . . 1 . 1597 . . 146 LYS N . 25715 2 67 . 1 1 162 162 TRP H H 1 9.171 . . 1 . 1642 . . 147 TRP H . 25715 2 68 . 1 1 162 162 TRP N N 15 123.027 . . 1 . 1643 . . 147 TRP N . 25715 2 69 . 1 1 163 163 GLU H H 1 9.449 . . 1 . 1644 . . 148 GLU H . 25715 2 70 . 1 1 163 163 GLU N N 15 126.266 . . 1 . 1645 . . 148 GLU N . 25715 2 71 . 1 1 164 164 ALA H H 1 7.892 . . 1 . 1638 . . 149 ALA H . 25715 2 72 . 1 1 164 164 ALA N N 15 123.767 . . 1 . 1639 . . 149 ALA N . 25715 2 73 . 1 1 167 167 VAL H H 1 8.036 . . 1 . 1590 . . 152 VAL H . 25715 2 74 . 1 1 167 167 VAL N N 15 119.029 . . 1 . 1591 . . 152 VAL N . 25715 2 75 . 1 1 168 168 ALA H H 1 9.617 . . 1 . 1614 . . 153 ALA H . 25715 2 76 . 1 1 168 168 ALA N N 15 121.411 . . 1 . 1615 . . 153 ALA N . 25715 2 77 . 1 1 169 169 GLU H H 1 7.961 . . 1 . 1572 . . 154 GLU H . 25715 2 78 . 1 1 169 169 GLU N N 15 116.199 . . 1 . 1573 . . 154 GLU N . 25715 2 79 . 1 1 172 172 ARG H H 1 9.250 . . 1 . 1580 . . 157 ARG H . 25715 2 80 . 1 1 172 172 ARG N N 15 121.093 . . 1 . 1581 . . 157 ARG N . 25715 2 81 . 1 1 173 173 ALA H H 1 7.351 . . 1 . 1646 . . 158 ALA H . 25715 2 82 . 1 1 173 173 ALA N N 15 118.411 . . 1 . 1647 . . 158 ALA N . 25715 2 83 . 1 1 174 174 TYR H H 1 7.382 . . 1 . 1648 . . 159 TYR H . 25715 2 84 . 1 1 174 174 TYR N N 15 119.249 . . 1 . 1649 . . 159 TYR N . 25715 2 85 . 1 1 178 178 GLU H H 1 8.549 . . 1 . 1650 . . 163 GLU H . 25715 2 86 . 1 1 178 178 GLU N N 15 129.996 . . 1 . 1651 . . 163 GLU N . 25715 2 87 . 1 1 195 195 GLN H H 1 7.537 . . 1 . 1652 . . 180 GLN H . 25715 2 88 . 1 1 195 195 GLN N N 15 113.453 . . 1 . 1653 . . 180 GLN N . 25715 2 stop_ save_