data_25714 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25714 _Entry.Title ; Chemical shifts of the HLA-B2705 heavy chain in complex with the peptide pVIPR ; _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-B2705 heavy chain in complex with the peptide pVIPR (RRKWRRWHL, derived from vasoactive intestinal peptide type 1 receptor). ; _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 . . . 25714 2 Peter Schmieder . . . 25714 3 Andreas Ziegler . . . 25714 4 Anne Diehl . . . 25714 5 Barbara Uchanska-Ziegler . . . 25714 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' . 25714 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 25714 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 719 25714 '15N chemical shifts' 272 25714 '1H chemical shifts' 272 25714 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 . 25714 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25711 HLA-B2705_TIS 25714 BMRB 25713 HLA-B2709_pVIPR 25714 BMRB 25715 HLA-B2709_TIS 25714 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25714 _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 . . . 25714 1 2 Andreas Ziegler . . . 25714 1 3 Barbara Uchanska-Ziegler . . . 25714 1 4 Anne Diehl . . . 25714 1 5 Peter Schmieder . . . 25714 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25714 _Assembly.ID 1 _Assembly.Name HLA-B2705_pVIPR _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 05p.hc 1 $05p.hc A . yes native yes no . 'antigen binding' . 25714 1 2 05p.b2m 2 $05p.b2m B . no native no no . 'structral support' . 25714 1 3 05p.pVIPR 3 $05p.pVIPR C . no native no no . antigen . 25714 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 . . . . . . . . . . 25714 1 2 disulfide single . 1 . 1 CYS 218 218 SG . 1 . 1 CYS 274 274 SG . . . . . . . . . . 25714 1 3 disulfide single . 2 . 2 CYS 26 26 SG . 2 . 2 CYS 81 81 SG . . . . . . . . . . 25714 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_05p.hc _Entity.Sf_category entity _Entity.Sf_framecode 05p.hc _Entity.Entry_ID 25714 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 05_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 DGRLLRGYHQDAYDGKDYIA 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-B2705 extracellular domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 33798.1104 _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 . 25714 1 2 -13 ALA . 25714 1 3 -12 HIS . 25714 1 4 -11 HIS . 25714 1 5 -10 HIS . 25714 1 6 -9 HIS . 25714 1 7 -8 HIS . 25714 1 8 -7 HIS . 25714 1 9 -6 VAL . 25714 1 10 -5 ASP . 25714 1 11 -4 ASP . 25714 1 12 -3 ASP . 25714 1 13 -2 ASP . 25714 1 14 -1 LYS . 25714 1 15 0 ILE . 25714 1 16 1 GLY . 25714 1 17 2 SER . 25714 1 18 3 HIS . 25714 1 19 4 SER . 25714 1 20 5 MET . 25714 1 21 6 ARG . 25714 1 22 7 TYR . 25714 1 23 8 PHE . 25714 1 24 9 HIS . 25714 1 25 10 THR . 25714 1 26 11 SER . 25714 1 27 12 VAL . 25714 1 28 13 SER . 25714 1 29 14 ARG . 25714 1 30 15 PRO . 25714 1 31 16 GLY . 25714 1 32 17 ARG . 25714 1 33 18 GLY . 25714 1 34 19 GLU . 25714 1 35 20 PRO . 25714 1 36 21 ARG . 25714 1 37 22 PHE . 25714 1 38 23 ILE . 25714 1 39 24 THR . 25714 1 40 25 VAL . 25714 1 41 26 GLY . 25714 1 42 27 TYR . 25714 1 43 28 VAL . 25714 1 44 29 ASP . 25714 1 45 30 ASP . 25714 1 46 31 THR . 25714 1 47 32 LEU . 25714 1 48 33 PHE . 25714 1 49 34 VAL . 25714 1 50 35 ARG . 25714 1 51 36 PHE . 25714 1 52 37 ASP . 25714 1 53 38 SER . 25714 1 54 39 ASP . 25714 1 55 40 ALA . 25714 1 56 41 ALA . 25714 1 57 42 SER . 25714 1 58 43 PRO . 25714 1 59 44 ARG . 25714 1 60 45 GLU . 25714 1 61 46 GLU . 25714 1 62 47 PRO . 25714 1 63 48 ARG . 25714 1 64 49 ALA . 25714 1 65 50 PRO . 25714 1 66 51 TRP . 25714 1 67 52 ILE . 25714 1 68 53 GLU . 25714 1 69 54 GLN . 25714 1 70 55 GLU . 25714 1 71 56 GLY . 25714 1 72 57 PRO . 25714 1 73 58 GLU . 25714 1 74 59 TYR . 25714 1 75 60 TRP . 25714 1 76 61 ASP . 25714 1 77 62 ARG . 25714 1 78 63 GLU . 25714 1 79 64 THR . 25714 1 80 65 GLN . 25714 1 81 66 ILE . 25714 1 82 67 CYS . 25714 1 83 68 LYS . 25714 1 84 69 ALA . 25714 1 85 70 LYS . 25714 1 86 71 ALA . 25714 1 87 72 GLN . 25714 1 88 73 THR . 25714 1 89 74 ASP . 25714 1 90 75 ARG . 25714 1 91 76 GLU . 25714 1 92 77 ASP . 25714 1 93 78 LEU . 25714 1 94 79 ARG . 25714 1 95 80 THR . 25714 1 96 81 LEU . 25714 1 97 82 LEU . 25714 1 98 83 ARG . 25714 1 99 84 TYR . 25714 1 100 85 TYR . 25714 1 101 86 ASN . 25714 1 102 87 GLN . 25714 1 103 88 SER . 25714 1 104 89 GLU . 25714 1 105 90 ALA . 25714 1 106 91 GLY . 25714 1 107 92 SER . 25714 1 108 93 HIS . 25714 1 109 94 THR . 25714 1 110 95 LEU . 25714 1 111 96 GLN . 25714 1 112 97 ASN . 25714 1 113 98 MET . 25714 1 114 99 TYR . 25714 1 115 100 GLY . 25714 1 116 101 CYS . 25714 1 117 102 ASP . 25714 1 118 103 VAL . 25714 1 119 104 GLY . 25714 1 120 105 PRO . 25714 1 121 106 ASP . 25714 1 122 107 GLY . 25714 1 123 108 ARG . 25714 1 124 109 LEU . 25714 1 125 110 LEU . 25714 1 126 111 ARG . 25714 1 127 112 GLY . 25714 1 128 113 TYR . 25714 1 129 114 HIS . 25714 1 130 115 GLN . 25714 1 131 116 ASP . 25714 1 132 117 ALA . 25714 1 133 118 TYR . 25714 1 134 119 ASP . 25714 1 135 120 GLY . 25714 1 136 121 LYS . 25714 1 137 122 ASP . 25714 1 138 123 TYR . 25714 1 139 124 ILE . 25714 1 140 125 ALA . 25714 1 141 126 LEU . 25714 1 142 127 ASN . 25714 1 143 128 GLU . 25714 1 144 129 ASP . 25714 1 145 130 LEU . 25714 1 146 131 SER . 25714 1 147 132 SER . 25714 1 148 133 TRP . 25714 1 149 134 THR . 25714 1 150 135 ALA . 25714 1 151 136 ALA . 25714 1 152 137 ASP . 25714 1 153 138 THR . 25714 1 154 139 ALA . 25714 1 155 140 ALA . 25714 1 156 141 GLN . 25714 1 157 142 ILE . 25714 1 158 143 THR . 25714 1 159 144 GLN . 25714 1 160 145 ARG . 25714 1 161 146 LYS . 25714 1 162 147 TRP . 25714 1 163 148 GLU . 25714 1 164 149 ALA . 25714 1 165 150 ALA . 25714 1 166 151 ARG . 25714 1 167 152 VAL . 25714 1 168 153 ALA . 25714 1 169 154 GLU . 25714 1 170 155 GLN . 25714 1 171 156 LEU . 25714 1 172 157 ARG . 25714 1 173 158 ALA . 25714 1 174 159 TYR . 25714 1 175 160 LEU . 25714 1 176 161 GLU . 25714 1 177 162 GLY . 25714 1 178 163 GLU . 25714 1 179 164 CYS . 25714 1 180 165 VAL . 25714 1 181 166 GLU . 25714 1 182 167 TRP . 25714 1 183 168 LEU . 25714 1 184 169 ARG . 25714 1 185 170 ARG . 25714 1 186 171 TYR . 25714 1 187 172 LEU . 25714 1 188 173 GLU . 25714 1 189 174 ASN . 25714 1 190 175 GLY . 25714 1 191 176 LYS . 25714 1 192 177 GLU . 25714 1 193 178 THR . 25714 1 194 179 LEU . 25714 1 195 180 GLN . 25714 1 196 181 ARG . 25714 1 197 182 ALA . 25714 1 198 183 ASP . 25714 1 199 184 PRO . 25714 1 200 185 PRO . 25714 1 201 186 LYS . 25714 1 202 187 THR . 25714 1 203 188 HIS . 25714 1 204 189 VAL . 25714 1 205 190 THR . 25714 1 206 191 HIS . 25714 1 207 192 HIS . 25714 1 208 193 PRO . 25714 1 209 194 ILE . 25714 1 210 195 SER . 25714 1 211 196 ASP . 25714 1 212 197 HIS . 25714 1 213 198 GLU . 25714 1 214 199 ALA . 25714 1 215 200 THR . 25714 1 216 201 LEU . 25714 1 217 202 ARG . 25714 1 218 203 CYS . 25714 1 219 204 TRP . 25714 1 220 205 ALA . 25714 1 221 206 LEU . 25714 1 222 207 GLY . 25714 1 223 208 PHE . 25714 1 224 209 TYR . 25714 1 225 210 PRO . 25714 1 226 211 ALA . 25714 1 227 212 GLU . 25714 1 228 213 ILE . 25714 1 229 214 THR . 25714 1 230 215 LEU . 25714 1 231 216 THR . 25714 1 232 217 TRP . 25714 1 233 218 GLN . 25714 1 234 219 ARG . 25714 1 235 220 ASP . 25714 1 236 221 GLY . 25714 1 237 222 GLU . 25714 1 238 223 ASP . 25714 1 239 224 GLN . 25714 1 240 225 THR . 25714 1 241 226 GLN . 25714 1 242 227 ASP . 25714 1 243 228 THR . 25714 1 244 229 GLU . 25714 1 245 230 LEU . 25714 1 246 231 VAL . 25714 1 247 232 GLU . 25714 1 248 233 THR . 25714 1 249 234 ARG . 25714 1 250 235 PRO . 25714 1 251 236 ALA . 25714 1 252 237 GLY . 25714 1 253 238 ASP . 25714 1 254 239 ARG . 25714 1 255 240 THR . 25714 1 256 241 PHE . 25714 1 257 242 GLN . 25714 1 258 243 LYS . 25714 1 259 244 TRP . 25714 1 260 245 ALA . 25714 1 261 246 ALA . 25714 1 262 247 VAL . 25714 1 263 248 VAL . 25714 1 264 249 VAL . 25714 1 265 250 PRO . 25714 1 266 251 SER . 25714 1 267 252 GLY . 25714 1 268 253 GLU . 25714 1 269 254 GLU . 25714 1 270 255 GLN . 25714 1 271 256 ARG . 25714 1 272 257 TYR . 25714 1 273 258 THR . 25714 1 274 259 CYS . 25714 1 275 260 HIS . 25714 1 276 261 VAL . 25714 1 277 262 GLN . 25714 1 278 263 HIS . 25714 1 279 264 GLU . 25714 1 280 265 GLY . 25714 1 281 266 LEU . 25714 1 282 267 PRO . 25714 1 283 268 LYS . 25714 1 284 269 PRO . 25714 1 285 270 LEU . 25714 1 286 271 THR . 25714 1 287 272 LEU . 25714 1 288 273 ARG . 25714 1 289 274 TRP . 25714 1 290 275 GLU . 25714 1 291 276 PRO . 25714 1 292 277 SER . 25714 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 25714 1 . ALA 2 2 25714 1 . HIS 3 3 25714 1 . HIS 4 4 25714 1 . HIS 5 5 25714 1 . HIS 6 6 25714 1 . HIS 7 7 25714 1 . HIS 8 8 25714 1 . VAL 9 9 25714 1 . ASP 10 10 25714 1 . ASP 11 11 25714 1 . ASP 12 12 25714 1 . ASP 13 13 25714 1 . LYS 14 14 25714 1 . ILE 15 15 25714 1 . GLY 16 16 25714 1 . SER 17 17 25714 1 . HIS 18 18 25714 1 . SER 19 19 25714 1 . MET 20 20 25714 1 . ARG 21 21 25714 1 . TYR 22 22 25714 1 . PHE 23 23 25714 1 . HIS 24 24 25714 1 . THR 25 25 25714 1 . SER 26 26 25714 1 . VAL 27 27 25714 1 . SER 28 28 25714 1 . ARG 29 29 25714 1 . PRO 30 30 25714 1 . GLY 31 31 25714 1 . ARG 32 32 25714 1 . GLY 33 33 25714 1 . GLU 34 34 25714 1 . PRO 35 35 25714 1 . ARG 36 36 25714 1 . PHE 37 37 25714 1 . ILE 38 38 25714 1 . THR 39 39 25714 1 . VAL 40 40 25714 1 . GLY 41 41 25714 1 . TYR 42 42 25714 1 . VAL 43 43 25714 1 . ASP 44 44 25714 1 . ASP 45 45 25714 1 . THR 46 46 25714 1 . LEU 47 47 25714 1 . PHE 48 48 25714 1 . VAL 49 49 25714 1 . ARG 50 50 25714 1 . PHE 51 51 25714 1 . ASP 52 52 25714 1 . SER 53 53 25714 1 . ASP 54 54 25714 1 . ALA 55 55 25714 1 . ALA 56 56 25714 1 . SER 57 57 25714 1 . PRO 58 58 25714 1 . ARG 59 59 25714 1 . GLU 60 60 25714 1 . GLU 61 61 25714 1 . PRO 62 62 25714 1 . ARG 63 63 25714 1 . ALA 64 64 25714 1 . PRO 65 65 25714 1 . TRP 66 66 25714 1 . ILE 67 67 25714 1 . GLU 68 68 25714 1 . GLN 69 69 25714 1 . GLU 70 70 25714 1 . GLY 71 71 25714 1 . PRO 72 72 25714 1 . GLU 73 73 25714 1 . TYR 74 74 25714 1 . TRP 75 75 25714 1 . ASP 76 76 25714 1 . ARG 77 77 25714 1 . GLU 78 78 25714 1 . THR 79 79 25714 1 . GLN 80 80 25714 1 . ILE 81 81 25714 1 . CYS 82 82 25714 1 . LYS 83 83 25714 1 . ALA 84 84 25714 1 . LYS 85 85 25714 1 . ALA 86 86 25714 1 . GLN 87 87 25714 1 . THR 88 88 25714 1 . ASP 89 89 25714 1 . ARG 90 90 25714 1 . GLU 91 91 25714 1 . ASP 92 92 25714 1 . LEU 93 93 25714 1 . ARG 94 94 25714 1 . THR 95 95 25714 1 . LEU 96 96 25714 1 . LEU 97 97 25714 1 . ARG 98 98 25714 1 . TYR 99 99 25714 1 . TYR 100 100 25714 1 . ASN 101 101 25714 1 . GLN 102 102 25714 1 . SER 103 103 25714 1 . GLU 104 104 25714 1 . ALA 105 105 25714 1 . GLY 106 106 25714 1 . SER 107 107 25714 1 . HIS 108 108 25714 1 . THR 109 109 25714 1 . LEU 110 110 25714 1 . GLN 111 111 25714 1 . ASN 112 112 25714 1 . MET 113 113 25714 1 . TYR 114 114 25714 1 . GLY 115 115 25714 1 . CYS 116 116 25714 1 . ASP 117 117 25714 1 . VAL 118 118 25714 1 . GLY 119 119 25714 1 . PRO 120 120 25714 1 . ASP 121 121 25714 1 . GLY 122 122 25714 1 . ARG 123 123 25714 1 . LEU 124 124 25714 1 . LEU 125 125 25714 1 . ARG 126 126 25714 1 . GLY 127 127 25714 1 . TYR 128 128 25714 1 . HIS 129 129 25714 1 . GLN 130 130 25714 1 . ASP 131 131 25714 1 . ALA 132 132 25714 1 . TYR 133 133 25714 1 . ASP 134 134 25714 1 . GLY 135 135 25714 1 . LYS 136 136 25714 1 . ASP 137 137 25714 1 . TYR 138 138 25714 1 . ILE 139 139 25714 1 . ALA 140 140 25714 1 . LEU 141 141 25714 1 . ASN 142 142 25714 1 . GLU 143 143 25714 1 . ASP 144 144 25714 1 . LEU 145 145 25714 1 . SER 146 146 25714 1 . SER 147 147 25714 1 . TRP 148 148 25714 1 . THR 149 149 25714 1 . ALA 150 150 25714 1 . ALA 151 151 25714 1 . ASP 152 152 25714 1 . THR 153 153 25714 1 . ALA 154 154 25714 1 . ALA 155 155 25714 1 . GLN 156 156 25714 1 . ILE 157 157 25714 1 . THR 158 158 25714 1 . GLN 159 159 25714 1 . ARG 160 160 25714 1 . LYS 161 161 25714 1 . TRP 162 162 25714 1 . GLU 163 163 25714 1 . ALA 164 164 25714 1 . ALA 165 165 25714 1 . ARG 166 166 25714 1 . VAL 167 167 25714 1 . ALA 168 168 25714 1 . GLU 169 169 25714 1 . GLN 170 170 25714 1 . LEU 171 171 25714 1 . ARG 172 172 25714 1 . ALA 173 173 25714 1 . TYR 174 174 25714 1 . LEU 175 175 25714 1 . GLU 176 176 25714 1 . GLY 177 177 25714 1 . GLU 178 178 25714 1 . CYS 179 179 25714 1 . VAL 180 180 25714 1 . GLU 181 181 25714 1 . TRP 182 182 25714 1 . LEU 183 183 25714 1 . ARG 184 184 25714 1 . ARG 185 185 25714 1 . TYR 186 186 25714 1 . LEU 187 187 25714 1 . GLU 188 188 25714 1 . ASN 189 189 25714 1 . GLY 190 190 25714 1 . LYS 191 191 25714 1 . GLU 192 192 25714 1 . THR 193 193 25714 1 . LEU 194 194 25714 1 . GLN 195 195 25714 1 . ARG 196 196 25714 1 . ALA 197 197 25714 1 . ASP 198 198 25714 1 . PRO 199 199 25714 1 . PRO 200 200 25714 1 . LYS 201 201 25714 1 . THR 202 202 25714 1 . HIS 203 203 25714 1 . VAL 204 204 25714 1 . THR 205 205 25714 1 . HIS 206 206 25714 1 . HIS 207 207 25714 1 . PRO 208 208 25714 1 . ILE 209 209 25714 1 . SER 210 210 25714 1 . ASP 211 211 25714 1 . HIS 212 212 25714 1 . GLU 213 213 25714 1 . ALA 214 214 25714 1 . THR 215 215 25714 1 . LEU 216 216 25714 1 . ARG 217 217 25714 1 . CYS 218 218 25714 1 . TRP 219 219 25714 1 . ALA 220 220 25714 1 . LEU 221 221 25714 1 . GLY 222 222 25714 1 . PHE 223 223 25714 1 . TYR 224 224 25714 1 . PRO 225 225 25714 1 . ALA 226 226 25714 1 . GLU 227 227 25714 1 . ILE 228 228 25714 1 . THR 229 229 25714 1 . LEU 230 230 25714 1 . THR 231 231 25714 1 . TRP 232 232 25714 1 . GLN 233 233 25714 1 . ARG 234 234 25714 1 . ASP 235 235 25714 1 . GLY 236 236 25714 1 . GLU 237 237 25714 1 . ASP 238 238 25714 1 . GLN 239 239 25714 1 . THR 240 240 25714 1 . GLN 241 241 25714 1 . ASP 242 242 25714 1 . THR 243 243 25714 1 . GLU 244 244 25714 1 . LEU 245 245 25714 1 . VAL 246 246 25714 1 . GLU 247 247 25714 1 . THR 248 248 25714 1 . ARG 249 249 25714 1 . PRO 250 250 25714 1 . ALA 251 251 25714 1 . GLY 252 252 25714 1 . ASP 253 253 25714 1 . ARG 254 254 25714 1 . THR 255 255 25714 1 . PHE 256 256 25714 1 . GLN 257 257 25714 1 . LYS 258 258 25714 1 . TRP 259 259 25714 1 . ALA 260 260 25714 1 . ALA 261 261 25714 1 . VAL 262 262 25714 1 . VAL 263 263 25714 1 . VAL 264 264 25714 1 . PRO 265 265 25714 1 . SER 266 266 25714 1 . GLY 267 267 25714 1 . GLU 268 268 25714 1 . GLU 269 269 25714 1 . GLN 270 270 25714 1 . ARG 271 271 25714 1 . TYR 272 272 25714 1 . THR 273 273 25714 1 . CYS 274 274 25714 1 . HIS 275 275 25714 1 . VAL 276 276 25714 1 . GLN 277 277 25714 1 . HIS 278 278 25714 1 . GLU 279 279 25714 1 . GLY 280 280 25714 1 . LEU 281 281 25714 1 . PRO 282 282 25714 1 . LYS 283 283 25714 1 . PRO 284 284 25714 1 . LEU 285 285 25714 1 . THR 286 286 25714 1 . LEU 287 287 25714 1 . ARG 288 288 25714 1 . TRP 289 289 25714 1 . GLU 290 290 25714 1 . PRO 291 291 25714 1 . SER 292 292 25714 1 stop_ save_ save_05p.b2m _Entity.Sf_category entity _Entity.Sf_framecode 05p.b2m _Entity.Entry_ID 25714 _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 0 MET . 25714 2 2 1 ILE . 25714 2 3 2 GLN . 25714 2 4 3 ARG . 25714 2 5 4 THR . 25714 2 6 5 PRO . 25714 2 7 6 LYS . 25714 2 8 7 ILE . 25714 2 9 8 GLN . 25714 2 10 9 VAL . 25714 2 11 10 TYR . 25714 2 12 11 SER . 25714 2 13 12 ARG . 25714 2 14 13 HIS . 25714 2 15 14 PRO . 25714 2 16 15 ALA . 25714 2 17 16 GLU . 25714 2 18 17 ASN . 25714 2 19 18 GLY . 25714 2 20 19 LYS . 25714 2 21 20 SER . 25714 2 22 21 ASN . 25714 2 23 22 PHE . 25714 2 24 23 LEU . 25714 2 25 24 ASN . 25714 2 26 25 CYS . 25714 2 27 26 TYR . 25714 2 28 27 VAL . 25714 2 29 28 SER . 25714 2 30 29 GLY . 25714 2 31 30 PHE . 25714 2 32 31 HIS . 25714 2 33 32 PRO . 25714 2 34 33 SER . 25714 2 35 34 ASP . 25714 2 36 35 ILE . 25714 2 37 36 GLU . 25714 2 38 37 VAL . 25714 2 39 38 ASP . 25714 2 40 39 LEU . 25714 2 41 40 LEU . 25714 2 42 41 LYS . 25714 2 43 42 ASN . 25714 2 44 43 GLY . 25714 2 45 44 GLU . 25714 2 46 45 ARG . 25714 2 47 46 ILE . 25714 2 48 47 GLU . 25714 2 49 48 LYS . 25714 2 50 49 VAL . 25714 2 51 50 GLU . 25714 2 52 51 HIS . 25714 2 53 52 SER . 25714 2 54 53 ASP . 25714 2 55 54 LEU . 25714 2 56 55 SER . 25714 2 57 56 PHE . 25714 2 58 57 SER . 25714 2 59 58 LYS . 25714 2 60 59 ASP . 25714 2 61 60 TRP . 25714 2 62 61 SER . 25714 2 63 62 PHE . 25714 2 64 63 TYR . 25714 2 65 64 LEU . 25714 2 66 65 LEU . 25714 2 67 66 TYR . 25714 2 68 67 TYR . 25714 2 69 68 THR . 25714 2 70 69 GLU . 25714 2 71 70 PHE . 25714 2 72 71 THR . 25714 2 73 72 PRO . 25714 2 74 73 THR . 25714 2 75 74 GLU . 25714 2 76 75 LYS . 25714 2 77 76 ASP . 25714 2 78 77 GLU . 25714 2 79 78 TYR . 25714 2 80 79 ALA . 25714 2 81 80 CYS . 25714 2 82 81 ARG . 25714 2 83 82 VAL . 25714 2 84 83 ASN . 25714 2 85 84 HIS . 25714 2 86 85 VAL . 25714 2 87 86 THR . 25714 2 88 87 LEU . 25714 2 89 88 SER . 25714 2 90 89 GLN . 25714 2 91 90 PRO . 25714 2 92 91 LYS . 25714 2 93 92 ILE . 25714 2 94 93 VAL . 25714 2 95 94 LYS . 25714 2 96 95 TRP . 25714 2 97 96 ASP . 25714 2 98 97 ARG . 25714 2 99 98 ASP . 25714 2 100 99 MET . 25714 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 25714 2 . ILE 2 2 25714 2 . GLN 3 3 25714 2 . ARG 4 4 25714 2 . THR 5 5 25714 2 . PRO 6 6 25714 2 . LYS 7 7 25714 2 . ILE 8 8 25714 2 . GLN 9 9 25714 2 . VAL 10 10 25714 2 . TYR 11 11 25714 2 . SER 12 12 25714 2 . ARG 13 13 25714 2 . HIS 14 14 25714 2 . PRO 15 15 25714 2 . ALA 16 16 25714 2 . GLU 17 17 25714 2 . ASN 18 18 25714 2 . GLY 19 19 25714 2 . LYS 20 20 25714 2 . SER 21 21 25714 2 . ASN 22 22 25714 2 . PHE 23 23 25714 2 . LEU 24 24 25714 2 . ASN 25 25 25714 2 . CYS 26 26 25714 2 . TYR 27 27 25714 2 . VAL 28 28 25714 2 . SER 29 29 25714 2 . GLY 30 30 25714 2 . PHE 31 31 25714 2 . HIS 32 32 25714 2 . PRO 33 33 25714 2 . SER 34 34 25714 2 . ASP 35 35 25714 2 . ILE 36 36 25714 2 . GLU 37 37 25714 2 . VAL 38 38 25714 2 . ASP 39 39 25714 2 . LEU 40 40 25714 2 . LEU 41 41 25714 2 . LYS 42 42 25714 2 . ASN 43 43 25714 2 . GLY 44 44 25714 2 . GLU 45 45 25714 2 . ARG 46 46 25714 2 . ILE 47 47 25714 2 . GLU 48 48 25714 2 . LYS 49 49 25714 2 . VAL 50 50 25714 2 . GLU 51 51 25714 2 . HIS 52 52 25714 2 . SER 53 53 25714 2 . ASP 54 54 25714 2 . LEU 55 55 25714 2 . SER 56 56 25714 2 . PHE 57 57 25714 2 . SER 58 58 25714 2 . LYS 59 59 25714 2 . ASP 60 60 25714 2 . TRP 61 61 25714 2 . SER 62 62 25714 2 . PHE 63 63 25714 2 . TYR 64 64 25714 2 . LEU 65 65 25714 2 . LEU 66 66 25714 2 . TYR 67 67 25714 2 . TYR 68 68 25714 2 . THR 69 69 25714 2 . GLU 70 70 25714 2 . PHE 71 71 25714 2 . THR 72 72 25714 2 . PRO 73 73 25714 2 . THR 74 74 25714 2 . GLU 75 75 25714 2 . LYS 76 76 25714 2 . ASP 77 77 25714 2 . GLU 78 78 25714 2 . TYR 79 79 25714 2 . ALA 80 80 25714 2 . CYS 81 81 25714 2 . ARG 82 82 25714 2 . VAL 83 83 25714 2 . ASN 84 84 25714 2 . HIS 85 85 25714 2 . VAL 86 86 25714 2 . THR 87 87 25714 2 . LEU 88 88 25714 2 . SER 89 89 25714 2 . GLN 90 90 25714 2 . PRO 91 91 25714 2 . LYS 92 92 25714 2 . ILE 93 93 25714 2 . VAL 94 94 25714 2 . LYS 95 95 25714 2 . TRP 96 96 25714 2 . ASP 97 97 25714 2 . ARG 98 98 25714 2 . ASP 99 99 25714 2 . MET 100 100 25714 2 stop_ save_ save_05p.pVIPR _Entity.Sf_category entity _Entity.Sf_framecode 05p.pVIPR _Entity.Entry_ID 25714 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name pVIPR _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 ; RRKWRRWHL ; _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 vasoactive intestinal peptide type 1 receptor' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1393.6 _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 . 25714 3 2 . ARG . 25714 3 3 . LYS . 25714 3 4 . TRP . 25714 3 5 . ARG . 25714 3 6 . ARG . 25714 3 7 . TRP . 25714 3 8 . HIS . 25714 3 9 . LEU . 25714 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 25714 3 . ARG 2 2 25714 3 . LYS 3 3 25714 3 . TRP 4 4 25714 3 . ARG 5 5 25714 3 . ARG 6 6 25714 3 . TRP 7 7 25714 3 . HIS 8 8 25714 3 . LEU 9 9 25714 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 25714 _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 $05p.hc . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . 2705 . . . . . . . . . HLA-B . 25714 1 2 2 $05p.b2m . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . B2M . 25714 1 3 3 $05p.pVIPR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25714 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 25714 _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 $05p.hc . 'recombinant technology' 'Escherichia coli' undefined . . Escherichia coli BL21(DE3) Rosetta2 . plasmid . . 'pET 46 Ek/LIC' . . . 25714 1 2 2 $05p.b2m . 'recombinant technology' 'Escherichia coli' undefined . . Escherichia coli K12 Xa90 . plasmid . . pHN1+ . . . 25714 1 3 3 $05p.pVIPR . 'chemical synthesis' undefined undefined . . . . . . . 'chemical synthesis' . . 'chemical synthesis' . . . 25714 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_1 _Sample.Sf_category sample _Sample.Sf_framecode 1 _Sample.Entry_ID 25714 _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 05p.pVIPR 'natural abundance' . . 3 $05p.pVIPR . . 0.33 . . mM . . . . 25714 1 2 05p.b2m 'natural abundance' . . 2 $05p.b2m . . 0.33 . . mM . . . . 25714 1 3 05p.hc '[U-13C; U-15N; U-2H]' . . 1 $05p.hc . . 0.33 . . mM . . . . 25714 1 4 'Sodium Phosphate' 'natural abundance' . . . . . . 10.00 . . mM . . . . 25714 1 5 'Sodium Chloride' 'natural abundance' . . . . . . 150.00 . . mM . . . . 25714 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25714 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25714 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 25714 _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 25714 1 pH 7.500 . pH 25714 1 pressure 1.000 . atm 25714 1 temperature 310.000 . K 25714 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25714 _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 25714 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignments 25714 1 stop_ save_ save_Topspin _Software.Sf_category software _Software.Sf_framecode Topspin _Software.Entry_ID 25714 _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/ 25714 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 25714 2 stop_ save_ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 25714 _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/ 25714 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum analysis' 25714 3 'Spectrum display' 25714 3 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 25714 _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/ 25714 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 25714 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 25714 _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 25714 _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 . . . 25714 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 25714 _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 . . . . . . . . . . . . . . . . 25714 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25714 1 3 '3D HNCACB' no . . . . . . . . . . 1 $1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25714 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 1 $1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25714 1 5 '3D HNCO' no . . . . . . . . . . 1 $1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25714 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25714 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25714 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 25714 _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 . . . . . . . . . 25714 1 H 1 DSS 'methyl protons' . . . . ppm 0 external indirect 1 . . . . . . . . . 25714 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.1013291180 . . . . . . . . . 25714 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 25714 _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 25714 1 2 '3D HN(CO)CA' 1 $1 isotropic 25714 1 3 '3D HN(COCA)CB' 1 $1 isotropic 25714 1 4 '3D HNCACB' 1 $1 isotropic 25714 1 5 '3D HNCO' 1 $1 isotropic 25714 1 6 '3D HN(CA)CO' 1 $1 isotropic 25714 1 7 '2D 1H-15N HSQC' . . . 25714 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 . . 25714 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 8 8 HIS CA C 13 54.171 . . 1 . 4102 . . -7 HIS CA . 25714 1 2 . 1 1 9 9 VAL H H 1 8.087 0.018 . 1 . 3506 . . -6 VAL H . 25714 1 3 . 1 1 9 9 VAL C C 13 175.761 0.013 . 1 . 4324 . . -6 VAL C . 25714 1 4 . 1 1 9 9 VAL CA C 13 61.965 0.008 . 1 . 4038 . . -6 VAL CA . 25714 1 5 . 1 1 9 9 VAL CB C 13 32.215 0.067 . 1 . 3686 . . -6 VAL CB . 25714 1 6 . 1 1 9 9 VAL N N 15 122.687 0.114 . 1 . 3507 . . -6 VAL N . 25714 1 7 . 1 1 10 10 ASP H H 1 8.498 0.01 . 1 . 3390 . . -5 ASP H . 25714 1 8 . 1 1 10 10 ASP C C 13 176.262 0.001 . 1 . 4323 . . -5 ASP C . 25714 1 9 . 1 1 10 10 ASP N N 15 124.254 0.05 . 1 . 3391 . . -5 ASP N . 25714 1 10 . 1 1 11 11 ASP H H 1 8.279 0.001 . 1 . 4190 . . -4 ASP H . 25714 1 11 . 1 1 11 11 ASP N N 15 121.309 0.07 . 1 . 4191 . . -4 ASP N . 25714 1 12 . 1 1 12 12 ASP H H 1 8.333 0.014 . 1 . 3334 . . -3 ASP H . 25714 1 13 . 1 1 12 12 ASP C C 13 176.371 0.049 . 1 . 4345 . . -3 ASP C . 25714 1 14 . 1 1 12 12 ASP N N 15 121.075 0.049 . 1 . 3335 . . -3 ASP N . 25714 1 15 . 1 1 13 13 ASP H H 1 8.274 0.013 . 1 . 3336 . . -2 ASP H . 25714 1 16 . 1 1 13 13 ASP C C 13 176.459 0.009 . 1 . 4165 . . -2 ASP C . 25714 1 17 . 1 1 13 13 ASP N N 15 121.064 0.089 . 1 . 3337 . . -2 ASP N . 25714 1 18 . 1 1 14 14 LYS H H 1 8.158 0.01 . 1 . 3342 . . -1 LYS H . 25714 1 19 . 1 1 14 14 LYS CA C 13 55.955 0.009 . 1 . 4037 . . -1 LYS CA . 25714 1 20 . 1 1 14 14 LYS CB C 13 32.017 0.049 . 1 . 4036 . . -1 LYS CB . 25714 1 21 . 1 1 14 14 LYS N N 15 121.519 0.03 . 1 . 3343 . . -1 LYS N . 25714 1 22 . 1 1 15 15 ILE H H 1 8.027 0.008 . 1 . 3508 . . 0 ILE H . 25714 1 23 . 1 1 15 15 ILE C C 13 177.001 0.035 . 1 . 4164 . . 0 ILE C . 25714 1 24 . 1 1 15 15 ILE CA C 13 61.537 0.048 . 1 . 4016 . . 0 ILE CA . 25714 1 25 . 1 1 15 15 ILE CB C 13 37.824 0.017 . 1 . 4017 . . 0 ILE CB . 25714 1 26 . 1 1 15 15 ILE N N 15 122.257 0.04 . 1 . 3509 . . 0 ILE N . 25714 1 27 . 1 1 16 16 GLY H H 1 8.519 0.007 . 1 . 3180 . . 1 GLY H . 25714 1 28 . 1 1 16 16 GLY C C 13 173.232 0.004 . 1 . 4339 . . 1 GLY C . 25714 1 29 . 1 1 16 16 GLY CA C 13 45.331 0.016 . 1 . 3984 . . 1 GLY CA . 25714 1 30 . 1 1 16 16 GLY N N 15 113.427 0.03 . 1 . 3181 . . 1 GLY N . 25714 1 31 . 1 1 17 17 SER H H 1 7.757 0.009 . 1 . 3463 . . 2 SER H . 25714 1 32 . 1 1 17 17 SER C C 13 173.761 . . 1 . 4390 . . 2 SER C . 25714 1 33 . 1 1 17 17 SER CA C 13 57.566 . . 1 . 3983 . . 2 SER CA . 25714 1 34 . 1 1 17 17 SER CB C 13 64.559 . . 1 . 3982 . . 2 SER CB . 25714 1 35 . 1 1 17 17 SER N N 15 114.986 0.086 . 1 . 4960 . . 2 SER N . 25714 1 36 . 1 1 18 18 HIS H H 1 8.513 0.013 . 1 . 3260 . . 3 HIS H . 25714 1 37 . 1 1 18 18 HIS C C 13 173.704 . . 1 . 4385 . . 3 HIS C . 25714 1 38 . 1 1 18 18 HIS CA C 13 54.670 0.042 . 1 . 3675 . . 3 HIS CA . 25714 1 39 . 1 1 18 18 HIS CB C 13 34.359 0.035 . 1 . 3677 . . 3 HIS CB . 25714 1 40 . 1 1 18 18 HIS N N 15 117.194 0.066 . 1 . 3261 . . 3 HIS N . 25714 1 41 . 1 1 19 19 SER H H 1 9.502 0.013 . 1 . 3190 . . 4 SER H . 25714 1 42 . 1 1 19 19 SER C C 13 173.162 . . 1 . 4404 . . 4 SER C . 25714 1 43 . 1 1 19 19 SER CA C 13 56.989 0.026 . 1 . 3699 . . 4 SER CA . 25714 1 44 . 1 1 19 19 SER CB C 13 67.337 0.066 . 1 . 3698 . . 4 SER CB . 25714 1 45 . 1 1 19 19 SER N N 15 116.150 0.053 . 1 . 3191 . . 4 SER N . 25714 1 46 . 1 1 20 20 MET H H 1 9.178 0.016 . 1 . 3526 . . 5 MET H . 25714 1 47 . 1 1 20 20 MET CB C 13 38.121 0.009 . 1 . 4014 . . 5 MET CB . 25714 1 48 . 1 1 20 20 MET N N 15 124.274 0.067 . 1 . 3527 . . 5 MET N . 25714 1 49 . 1 1 21 21 ARG H H 1 9.070 0.018 . 1 . 3536 . . 6 ARG H . 25714 1 50 . 1 1 21 21 ARG C C 13 173.699 0.018 . 1 . 4306 . . 6 ARG C . 25714 1 51 . 1 1 21 21 ARG CA C 13 54.012 0.003 . 1 . 3959 . . 6 ARG CA . 25714 1 52 . 1 1 21 21 ARG CB C 13 36.019 0.021 . 1 . 4065 . . 6 ARG CB . 25714 1 53 . 1 1 21 21 ARG N N 15 125.259 0.079 . 1 . 3537 . . 6 ARG N . 25714 1 54 . 1 1 22 22 TYR H H 1 8.636 0.015 . 1 . 3266 . . 7 TYR H . 25714 1 55 . 1 1 22 22 TYR C C 13 174.532 0.009 . 1 . 4328 . . 7 TYR C . 25714 1 56 . 1 1 22 22 TYR CA C 13 57.838 0.006 . 1 . 3958 . . 7 TYR CA . 25714 1 57 . 1 1 22 22 TYR CB C 13 40.910 . . 1 . 3960 . . 7 TYR CB . 25714 1 58 . 1 1 22 22 TYR N N 15 119.227 0.172 . 1 . 3267 . . 7 TYR N . 25714 1 59 . 1 1 23 23 PHE H H 1 8.981 . . 1 . 4142 . . 8 PHE H . 25714 1 60 . 1 1 23 23 PHE C C 13 177.480 0.008 . 1 . 4144 . . 8 PHE C . 25714 1 61 . 1 1 23 23 PHE N N 15 120.621 0.028 . 1 . 4143 . . 8 PHE N . 25714 1 62 . 1 1 24 24 HIS H H 1 9.471 . . 1 . 4398 . . 9 HIS H . 25714 1 63 . 1 1 24 24 HIS C C 13 173.677 0.007 . 1 . 4378 . . 9 HIS C . 25714 1 64 . 1 1 24 24 HIS CA C 13 56.072 0.061 . 1 . 3703 . . 9 HIS CA . 25714 1 65 . 1 1 24 24 HIS CB C 13 32.352 . . 1 . 4104 . . 9 HIS CB . 25714 1 66 . 1 1 24 24 HIS N N 15 123.463 . . 1 . 4399 . . 9 HIS N . 25714 1 67 . 1 1 25 25 THR H H 1 9.097 0.018 . 1 . 3492 . . 10 THR H . 25714 1 68 . 1 1 25 25 THR C C 13 173.617 0.021 . 1 . 4382 . . 10 THR C . 25714 1 69 . 1 1 25 25 THR CA C 13 63.779 0.012 . 1 . 3701 . . 10 THR CA . 25714 1 70 . 1 1 25 25 THR CB C 13 71.593 0.032 . 1 . 3700 . . 10 THR CB . 25714 1 71 . 1 1 25 25 THR N N 15 122.447 0.293 . 1 . 3493 . . 10 THR N . 25714 1 72 . 1 1 26 26 SER H H 1 9.469 0.008 . 1 . 3296 . . 11 SER H . 25714 1 73 . 1 1 26 26 SER C C 13 173.771 0.041 . 1 . 4302 . . 11 SER C . 25714 1 74 . 1 1 26 26 SER CA C 13 59.069 0.1 . 1 . 3784 . . 11 SER CA . 25714 1 75 . 1 1 26 26 SER CB C 13 65.800 . . 1 . 4071 . . 11 SER CB . 25714 1 76 . 1 1 26 26 SER N N 15 123.371 0.057 . 1 . 3297 . . 11 SER N . 25714 1 77 . 1 1 27 27 VAL H H 1 8.999 0.047 . 1 . 3584 . . 12 VAL H . 25714 1 78 . 1 1 27 27 VAL C C 13 177.152 0.018 . 1 . 4303 . . 12 VAL C . 25714 1 79 . 1 1 27 27 VAL CA C 13 59.877 0.024 . 1 . 4034 . . 12 VAL CA . 25714 1 80 . 1 1 27 27 VAL CB C 13 34.356 0.078 . 1 . 4035 . . 12 VAL CB . 25714 1 81 . 1 1 27 27 VAL N N 15 123.895 0.407 . 1 . 3585 . . 12 VAL N . 25714 1 82 . 1 1 28 28 SER H H 1 9.542 0.038 . 1 . 3304 . . 13 SER H . 25714 1 83 . 1 1 28 28 SER C C 13 173.724 0.011 . 1 . 4340 . . 13 SER C . 25714 1 84 . 1 1 28 28 SER CA C 13 57.314 . . 1 . 4069 . . 13 SER CA . 25714 1 85 . 1 1 28 28 SER CB C 13 64.526 0.064 . 1 . 3687 . . 13 SER CB . 25714 1 86 . 1 1 28 28 SER N N 15 122.427 0.124 . 1 . 3305 . . 13 SER N . 25714 1 87 . 1 1 29 29 ARG H H 1 9.638 0.014 . 1 . 3196 . . 14 ARG H . 25714 1 88 . 1 1 29 29 ARG C C 13 172.659 . . 1 . 4341 . . 14 ARG C . 25714 1 89 . 1 1 29 29 ARG CA C 13 52.864 . . 1 . 3688 . . 14 ARG CA . 25714 1 90 . 1 1 29 29 ARG CB C 13 30.089 . . 1 . 3689 . . 14 ARG CB . 25714 1 91 . 1 1 29 29 ARG N N 15 121.407 0.077 . 1 . 3197 . . 14 ARG N . 25714 1 92 . 1 1 30 30 PRO C C 13 176.022 . . 1 . 4392 . . 15 PRO C . 25714 1 93 . 1 1 31 31 GLY H H 1 8.075 0.008 . 1 . 3592 . . 16 GLY H . 25714 1 94 . 1 1 31 31 GLY CA C 13 44.765 0.02 . 1 . 3796 . . 16 GLY CA . 25714 1 95 . 1 1 31 31 GLY N N 15 108.020 0.047 . 1 . 3593 . . 16 GLY N . 25714 1 96 . 1 1 32 32 ARG H H 1 8.479 0.009 . 1 . 3500 . . 17 ARG H . 25714 1 97 . 1 1 32 32 ARG C C 13 174.373 . . 1 . 4187 . . 17 ARG C . 25714 1 98 . 1 1 32 32 ARG CA C 13 54.658 . . 1 . 3795 . . 17 ARG CA . 25714 1 99 . 1 1 32 32 ARG N N 15 121.835 0.034 . 1 . 3501 . . 17 ARG N . 25714 1 100 . 1 1 34 34 GLU H H 1 8.494 . . 1 . 4386 . . 19 GLU H . 25714 1 101 . 1 1 34 34 GLU N N 15 120.717 . . 1 . 4387 . . 19 GLU N . 25714 1 102 . 1 1 35 35 PRO C C 13 176.745 0.001 . 1 . 4360 . . 20 PRO C . 25714 1 103 . 1 1 35 35 PRO CA C 13 63.647 0.027 . 1 . 3843 . . 20 PRO CA . 25714 1 104 . 1 1 35 35 PRO CB C 13 30.696 0.089 . 1 . 3845 . . 20 PRO CB . 25714 1 105 . 1 1 36 36 ARG H H 1 8.583 0.028 . 1 . 3312 . . 21 ARG H . 25714 1 106 . 1 1 36 36 ARG C C 13 174.889 . . 1 . 4396 . . 21 ARG C . 25714 1 107 . 1 1 36 36 ARG CA C 13 55.759 0.093 . 1 . 3844 . . 21 ARG CA . 25714 1 108 . 1 1 36 36 ARG CB C 13 30.989 0.074 . 1 . 3931 . . 21 ARG CB . 25714 1 109 . 1 1 36 36 ARG N N 15 126.272 0.187 . 1 . 3313 . . 21 ARG N . 25714 1 110 . 1 1 37 37 PHE H H 1 9.249 0.027 . 1 . 3224 . . 22 PHE H . 25714 1 111 . 1 1 37 37 PHE C C 13 173.285 0.01 . 1 . 4273 . . 22 PHE C . 25714 1 112 . 1 1 37 37 PHE CA C 13 56.143 0.054 . 1 . 3929 . . 22 PHE CA . 25714 1 113 . 1 1 37 37 PHE CB C 13 41.969 0.013 . 1 . 3930 . . 22 PHE CB . 25714 1 114 . 1 1 37 37 PHE N N 15 130.781 0.174 . 1 . 3225 . . 22 PHE N . 25714 1 115 . 1 1 38 38 ILE H H 1 8.738 0.01 . 1 . 3314 . . 23 ILE H . 25714 1 116 . 1 1 38 38 ILE C C 13 176.239 0.017 . 1 . 4272 . . 23 ILE C . 25714 1 117 . 1 1 38 38 ILE CA C 13 59.050 0.04 . 1 . 3879 . . 23 ILE CA . 25714 1 118 . 1 1 38 38 ILE CB C 13 41.996 . . 1 . 4070 . . 23 ILE CB . 25714 1 119 . 1 1 38 38 ILE N N 15 125.933 0.093 . 1 . 3315 . . 23 ILE N . 25714 1 120 . 1 1 39 39 THR H H 1 9.229 0.011 . 1 . 3302 . . 24 THR H . 25714 1 121 . 1 1 39 39 THR C C 13 170.977 0.011 . 1 . 4373 . . 24 THR C . 25714 1 122 . 1 1 39 39 THR CA C 13 57.109 0.065 . 1 . 4023 . . 24 THR CA . 25714 1 123 . 1 1 39 39 THR CB C 13 69.257 0.078 . 1 . 3878 . . 24 THR CB . 25714 1 124 . 1 1 39 39 THR N N 15 122.352 0.066 . 1 . 3303 . . 24 THR N . 25714 1 125 . 1 1 40 40 VAL H H 1 8.132 0.032 . 1 . 3348 . . 25 VAL H . 25714 1 126 . 1 1 40 40 VAL C C 13 174.274 0.002 . 1 . 4196 . . 25 VAL C . 25714 1 127 . 1 1 40 40 VAL CA C 13 58.292 0.053 . 1 . 3739 . . 25 VAL CA . 25714 1 128 . 1 1 40 40 VAL CB C 13 35.124 0.031 . 1 . 3740 . . 25 VAL CB . 25714 1 129 . 1 1 40 40 VAL N N 15 120.050 0.072 . 1 . 3349 . . 25 VAL N . 25714 1 130 . 1 1 41 41 GLY H H 1 8.015 0.01 . 1 . 3149 . . 26 GLY H . 25714 1 131 . 1 1 41 41 GLY C C 13 171.848 0.012 . 1 . 4276 . . 26 GLY C . 25714 1 132 . 1 1 41 41 GLY CA C 13 44.690 0.009 . 1 . 3924 . . 26 GLY CA . 25714 1 133 . 1 1 41 41 GLY N N 15 108.802 0.077 . 1 . 3150 . . 26 GLY N . 25714 1 134 . 1 1 42 42 TYR H H 1 9.585 0.022 . 1 . 3488 . . 27 TYR H . 25714 1 135 . 1 1 42 42 TYR C C 13 176.906 . . 1 . 4397 . . 27 TYR C . 25714 1 136 . 1 1 42 42 TYR CA C 13 57.588 0.048 . 1 . 3858 . . 27 TYR CA . 25714 1 137 . 1 1 42 42 TYR CB C 13 43.514 0.024 . 1 . 3859 . . 27 TYR CB . 25714 1 138 . 1 1 42 42 TYR N N 15 124.173 0.06 . 1 . 3489 . . 27 TYR N . 25714 1 139 . 1 1 43 43 VAL H H 1 8.953 0.007 . 1 . 3578 . . 28 VAL H . 25714 1 140 . 1 1 43 43 VAL C C 13 176.361 0.005 . 1 . 4322 . . 28 VAL C . 25714 1 141 . 1 1 43 43 VAL CA C 13 62.127 0.058 . 1 . 3849 . . 28 VAL CA . 25714 1 142 . 1 1 43 43 VAL CB C 13 32.365 0.045 . 1 . 3860 . . 28 VAL CB . 25714 1 143 . 1 1 43 43 VAL N N 15 122.617 0.052 . 1 . 3579 . . 28 VAL N . 25714 1 144 . 1 1 44 44 ASP H H 1 9.830 0.012 . 1 . 3220 . . 29 ASP H . 25714 1 145 . 1 1 44 44 ASP C C 13 175.821 . . 1 . 4393 . . 29 ASP C . 25714 1 146 . 1 1 44 44 ASP CA C 13 55.995 0.013 . 1 . 3850 . . 29 ASP CA . 25714 1 147 . 1 1 44 44 ASP CB C 13 37.395 0.01 . 1 . 3673 . . 29 ASP CB . 25714 1 148 . 1 1 44 44 ASP N N 15 127.711 0.037 . 1 . 3221 . . 29 ASP N . 25714 1 149 . 1 1 45 45 ASP H H 1 6.948 0.01 . 1 . 3445 . . 30 ASP H . 25714 1 150 . 1 1 45 45 ASP C C 13 176.435 0.014 . 1 . 4202 . . 30 ASP C . 25714 1 151 . 1 1 45 45 ASP CA C 13 54.737 0.02 . 1 . 3671 . . 30 ASP CA . 25714 1 152 . 1 1 45 45 ASP CB C 13 43.145 0.054 . 1 . 3672 . . 30 ASP CB . 25714 1 153 . 1 1 45 45 ASP N N 15 120.416 0.04 . 1 . 3446 . . 30 ASP N . 25714 1 154 . 1 1 46 46 THR H H 1 9.747 0.011 . 1 . 3198 . . 31 THR H . 25714 1 155 . 1 1 46 46 THR C C 13 172.646 0.012 . 1 . 4178 . . 31 THR C . 25714 1 156 . 1 1 46 46 THR CA C 13 63.704 0.05 . 1 . 3758 . . 31 THR CA . 25714 1 157 . 1 1 46 46 THR CB C 13 70.311 0.095 . 1 . 3757 . . 31 THR CB . 25714 1 158 . 1 1 46 46 THR N N 15 121.326 0.05 . 1 . 3199 . . 31 THR N . 25714 1 159 . 1 1 47 47 LEU H H 1 8.744 0.008 . 1 . 3240 . . 32 LEU H . 25714 1 160 . 1 1 47 47 LEU C C 13 176.741 0.004 . 1 . 4177 . . 32 LEU C . 25714 1 161 . 1 1 47 47 LEU CA C 13 55.602 0.068 . 1 . 3656 . . 32 LEU CA . 25714 1 162 . 1 1 47 47 LEU CB C 13 41.331 0.007 . 1 . 3932 . . 32 LEU CB . 25714 1 163 . 1 1 47 47 LEU N N 15 134.791 0.044 . 1 . 3241 . . 32 LEU N . 25714 1 164 . 1 1 48 48 PHE H H 1 9.303 0.01 . 1 . 3546 . . 33 PHE H . 25714 1 165 . 1 1 48 48 PHE C C 13 174.742 . . 1 . 4391 . . 33 PHE C . 25714 1 166 . 1 1 48 48 PHE CA C 13 56.949 . . 1 . 3655 . . 33 PHE CA . 25714 1 167 . 1 1 48 48 PHE CB C 13 43.946 0.002 . 1 . 3660 . . 33 PHE CB . 25714 1 168 . 1 1 48 48 PHE N N 15 122.494 0.064 . 1 . 3547 . . 33 PHE N . 25714 1 169 . 1 1 49 49 VAL H H 1 6.821 0.013 . 1 . 3455 . . 34 VAL H . 25714 1 170 . 1 1 49 49 VAL C C 13 174.906 0.023 . 1 . 4201 . . 34 VAL C . 25714 1 171 . 1 1 49 49 VAL CA C 13 59.728 0.056 . 1 . 3948 . . 34 VAL CA . 25714 1 172 . 1 1 49 49 VAL CB C 13 37.713 0.069 . 1 . 3949 . . 34 VAL CB . 25714 1 173 . 1 1 49 49 VAL N N 15 115.385 0.069 . 1 . 3456 . . 34 VAL N . 25714 1 174 . 1 1 50 50 ARG H H 1 8.391 0.008 . 1 . 3174 . . 35 ARG H . 25714 1 175 . 1 1 50 50 ARG C C 13 174.185 0.01 . 1 . 4290 . . 35 ARG C . 25714 1 176 . 1 1 50 50 ARG CA C 13 53.665 0.033 . 1 . 3721 . . 35 ARG CA . 25714 1 177 . 1 1 50 50 ARG CB C 13 32.675 0.02 . 1 . 3724 . . 35 ARG CB . 25714 1 178 . 1 1 50 50 ARG N N 15 114.403 0.064 . 1 . 3175 . . 35 ARG N . 25714 1 179 . 1 1 51 51 PHE H H 1 9.100 0.013 . 1 . 3290 . . 36 PHE H . 25714 1 180 . 1 1 51 51 PHE C C 13 172.306 0.011 . 1 . 4156 . . 36 PHE C . 25714 1 181 . 1 1 51 51 PHE CA C 13 57.721 0.06 . 1 . 3719 . . 36 PHE CA . 25714 1 182 . 1 1 51 51 PHE CB C 13 43.374 0.02 . 1 . 3723 . . 36 PHE CB . 25714 1 183 . 1 1 51 51 PHE N N 15 123.937 0.071 . 1 . 3291 . . 36 PHE N . 25714 1 184 . 1 1 52 52 ASP H H 1 8.015 0.017 . 1 . 3384 . . 37 ASP H . 25714 1 185 . 1 1 52 52 ASP C C 13 176.526 0.005 . 1 . 4155 . . 37 ASP C . 25714 1 186 . 1 1 52 52 ASP CA C 13 51.994 0.056 . 1 . 3855 . . 37 ASP CA . 25714 1 187 . 1 1 52 52 ASP CB C 13 43.433 0.052 . 1 . 3856 . . 37 ASP CB . 25714 1 188 . 1 1 52 52 ASP N N 15 129.482 0.052 . 1 . 3385 . . 37 ASP N . 25714 1 189 . 1 1 53 53 SER H H 1 9.791 0.013 . 1 . 3206 . . 38 SER H . 25714 1 190 . 1 1 53 53 SER C C 13 175.228 0.05 . 1 . 4198 . . 38 SER C . 25714 1 191 . 1 1 53 53 SER CA C 13 61.161 0.085 . 1 . 3854 . . 38 SER CA . 25714 1 192 . 1 1 53 53 SER CB C 13 62.857 0.078 . 1 . 3853 . . 38 SER CB . 25714 1 193 . 1 1 53 53 SER N N 15 122.980 0.056 . 1 . 3207 . . 38 SER N . 25714 1 194 . 1 1 54 54 ASP H H 1 8.801 0.011 . 1 . 3306 . . 39 ASP H . 25714 1 195 . 1 1 54 54 ASP C C 13 176.684 0.007 . 1 . 4197 . . 39 ASP C . 25714 1 196 . 1 1 54 54 ASP CA C 13 53.984 0.012 . 1 . 3782 . . 39 ASP CA . 25714 1 197 . 1 1 54 54 ASP CB C 13 39.663 0.023 . 1 . 3783 . . 39 ASP CB . 25714 1 198 . 1 1 54 54 ASP N N 15 123.620 0.041 . 1 . 3307 . . 39 ASP N . 25714 1 199 . 1 1 55 55 ALA H H 1 7.666 0.01 . 1 . 3382 . . 40 ALA H . 25714 1 200 . 1 1 55 55 ALA C C 13 176.722 . . 1 . 4400 . . 40 ALA C . 25714 1 201 . 1 1 55 55 ALA CA C 13 51.759 . . 1 . 4004 . . 40 ALA CA . 25714 1 202 . 1 1 55 55 ALA CB C 13 19.310 0.077 . 1 . 4005 . . 40 ALA CB . 25714 1 203 . 1 1 55 55 ALA N N 15 124.442 0.082 . 1 . 3383 . . 40 ALA N . 25714 1 204 . 1 1 56 56 ALA H H 1 8.375 0.003 . 1 . 3566 . . 41 ALA H . 25714 1 205 . 1 1 56 56 ALA C C 13 179.144 0.038 . 1 . 4343 . . 41 ALA C . 25714 1 206 . 1 1 56 56 ALA CA C 13 54.321 . . 1 . 4072 . . 41 ALA CA . 25714 1 207 . 1 1 56 56 ALA CB C 13 17.666 . . 1 . 4073 . . 41 ALA CB . 25714 1 208 . 1 1 56 56 ALA N N 15 123.300 0.053 . 1 . 3567 . . 41 ALA N . 25714 1 209 . 1 1 57 57 SER H H 1 8.178 0.009 . 1 . 3172 . . 42 SER H . 25714 1 210 . 1 1 57 57 SER CB C 13 62.543 . . 1 . 4024 . . 42 SER CB . 25714 1 211 . 1 1 57 57 SER N N 15 112.003 0.069 . 1 . 3173 . . 42 SER N . 25714 1 212 . 1 1 62 62 PRO C C 13 178.930 0.009 . 1 . 4381 . . 47 PRO C . 25714 1 213 . 1 1 62 62 PRO CA C 13 61.745 0.027 . 1 . 4042 . . 47 PRO CA . 25714 1 214 . 1 1 62 62 PRO CB C 13 33.238 . . 1 . 4109 . . 47 PRO CB . 25714 1 215 . 1 1 63 63 ARG H H 1 8.374 0.017 . 1 . 3562 . . 48 ARG H . 25714 1 216 . 1 1 63 63 ARG C C 13 173.765 0.017 . 1 . 4283 . . 48 ARG C . 25714 1 217 . 1 1 63 63 ARG CA C 13 52.777 0.072 . 1 . 4040 . . 48 ARG CA . 25714 1 218 . 1 1 63 63 ARG CB C 13 31.970 0.011 . 1 . 4041 . . 48 ARG CB . 25714 1 219 . 1 1 63 63 ARG N N 15 119.066 0.11 . 1 . 3563 . . 48 ARG N . 25714 1 220 . 1 1 64 64 ALA H H 1 7.053 0.014 . 1 . 3568 . . 49 ALA H . 25714 1 221 . 1 1 64 64 ALA C C 13 176.676 . . 1 . 4282 . . 49 ALA C . 25714 1 222 . 1 1 64 64 ALA CA C 13 49.236 . . 1 . 3833 . . 49 ALA CA . 25714 1 223 . 1 1 64 64 ALA CB C 13 19.115 . . 1 . 3834 . . 49 ALA CB . 25714 1 224 . 1 1 64 64 ALA N N 15 120.325 0.069 . 1 . 3569 . . 49 ALA N . 25714 1 225 . 1 1 65 65 PRO C C 13 178.697 0.016 . 1 . 4351 . . 50 PRO C . 25714 1 226 . 1 1 65 65 PRO CA C 13 64.822 . . 1 . 4074 . . 50 PRO CA . 25714 1 227 . 1 1 65 65 PRO CB C 13 31.134 . . 1 . 4075 . . 50 PRO CB . 25714 1 228 . 1 1 66 66 TRP H H 1 6.587 0.013 . 1 . 3461 . . 51 TRP H . 25714 1 229 . 1 1 66 66 TRP C C 13 177.505 0.002 . 1 . 4350 . . 51 TRP C . 25714 1 230 . 1 1 66 66 TRP CA C 13 55.092 . . 1 . 3705 . . 51 TRP CA . 25714 1 231 . 1 1 66 66 TRP CB C 13 27.686 . . 1 . 3706 . . 51 TRP CB . 25714 1 232 . 1 1 66 66 TRP N N 15 111.779 0.046 . 1 . 3462 . . 51 TRP N . 25714 1 233 . 1 1 67 67 ILE H H 1 6.716 0.012 . 1 . 3451 . . 52 ILE H . 25714 1 234 . 1 1 67 67 ILE C C 13 176.566 0.012 . 1 . 4167 . . 52 ILE C . 25714 1 235 . 1 1 67 67 ILE N N 15 120.780 0.053 . 1 . 3452 . . 52 ILE N . 25714 1 236 . 1 1 68 68 GLU H H 1 7.378 0.01 . 1 . 3374 . . 53 GLU H . 25714 1 237 . 1 1 68 68 GLU C C 13 176.798 0.031 . 1 . 4166 . . 53 GLU C . 25714 1 238 . 1 1 68 68 GLU CA C 13 59.017 0.099 . 1 . 3866 . . 53 GLU CA . 25714 1 239 . 1 1 68 68 GLU CB C 13 29.109 0.061 . 1 . 4067 . . 53 GLU CB . 25714 1 240 . 1 1 68 68 GLU N N 15 122.158 0.101 . 1 . 3375 . . 53 GLU N . 25714 1 241 . 1 1 69 69 GLN H H 1 7.517 0.029 . 1 . 3468 . . 54 GLN H . 25714 1 242 . 1 1 69 69 GLN C C 13 177.313 0.005 . 1 . 4333 . . 54 GLN C . 25714 1 243 . 1 1 69 69 GLN CA C 13 56.223 0.002 . 1 . 3864 . . 54 GLN CA . 25714 1 244 . 1 1 69 69 GLN CB C 13 28.206 . . 1 . 3865 . . 54 GLN CB . 25714 1 245 . 1 1 69 69 GLN N N 15 113.023 0.101 . 1 . 3469 . . 54 GLN N . 25714 1 246 . 1 1 70 70 GLU H H 1 7.749 0.018 . 1 . 3406 . . 55 GLU H . 25714 1 247 . 1 1 70 70 GLU C C 13 178.293 0.009 . 1 . 4232 . . 55 GLU C . 25714 1 248 . 1 1 70 70 GLU CA C 13 56.584 0.004 . 1 . 3988 . . 55 GLU CA . 25714 1 249 . 1 1 70 70 GLU CB C 13 28.561 0.04 . 1 . 3990 . . 55 GLU CB . 25714 1 250 . 1 1 70 70 GLU N N 15 121.039 0.067 . 1 . 3407 . . 55 GLU N . 25714 1 251 . 1 1 71 71 GLY H H 1 8.816 0.007 . 1 . 3157 . . 56 GLY H . 25714 1 252 . 1 1 71 71 GLY C C 13 172.717 . . 1 . 4233 . . 56 GLY C . 25714 1 253 . 1 1 71 71 GLY CA C 13 45.031 . . 1 . 3989 . . 56 GLY CA . 25714 1 254 . 1 1 71 71 GLY N N 15 109.229 0.05 . 1 . 3158 . . 56 GLY N . 25714 1 255 . 1 1 72 72 PRO C C 13 179.105 0.019 . 1 . 4217 . . 57 PRO C . 25714 1 256 . 1 1 72 72 PRO CA C 13 65.682 . . 1 . 4076 . . 57 PRO CA . 25714 1 257 . 1 1 72 72 PRO CB C 13 31.415 . . 1 . 4077 . . 57 PRO CB . 25714 1 258 . 1 1 73 73 GLU H H 1 9.382 0.005 . 1 . 3184 . . 58 GLU H . 25714 1 259 . 1 1 73 73 GLU C C 13 179.662 . . 1 . 4218 . . 58 GLU C . 25714 1 260 . 1 1 73 73 GLU CA C 13 59.424 0.124 . 1 . 3969 . . 58 GLU CA . 25714 1 261 . 1 1 73 73 GLU CB C 13 27.660 0.055 . 1 . 3970 . . 58 GLU CB . 25714 1 262 . 1 1 73 73 GLU N N 15 118.122 0.058 . 1 . 3185 . . 58 GLU N . 25714 1 263 . 1 1 74 74 TYR H H 1 8.006 0.027 . 1 . 3368 . . 59 TYR H . 25714 1 264 . 1 1 74 74 TYR C C 13 177.614 0.005 . 1 . 4226 . . 59 TYR C . 25714 1 265 . 1 1 74 74 TYR CB C 13 38.127 0.005 . 1 . 3690 . . 59 TYR CB . 25714 1 266 . 1 1 74 74 TYR N N 15 124.623 0.2 . 1 . 3369 . . 59 TYR N . 25714 1 267 . 1 1 75 75 TRP H H 1 7.149 0.012 . 1 . 3449 . . 60 TRP H . 25714 1 268 . 1 1 75 75 TRP C C 13 179.593 0.005 . 1 . 4162 . . 60 TRP C . 25714 1 269 . 1 1 75 75 TRP CA C 13 58.644 0.05 . 1 . 3963 . . 60 TRP CA . 25714 1 270 . 1 1 75 75 TRP CB C 13 28.978 0.028 . 1 . 3964 . . 60 TRP CB . 25714 1 271 . 1 1 75 75 TRP N N 15 120.772 0.149 . 1 . 3450 . . 60 TRP N . 25714 1 272 . 1 1 76 76 ASP H H 1 8.923 0.026 . 1 . 3560 . . 61 ASP H . 25714 1 273 . 1 1 76 76 ASP C C 13 178.462 0.045 . 1 . 4163 . . 61 ASP C . 25714 1 274 . 1 1 76 76 ASP CA C 13 57.529 0.042 . 1 . 4043 . . 61 ASP CA . 25714 1 275 . 1 1 76 76 ASP CB C 13 40.678 0.042 . 1 . 3981 . . 61 ASP CB . 25714 1 276 . 1 1 76 76 ASP N N 15 122.804 0.19 . 1 . 3561 . . 61 ASP N . 25714 1 277 . 1 1 77 77 ARG H H 1 7.688 0.014 . 1 . 3370 . . 62 ARG H . 25714 1 278 . 1 1 77 77 ARG C C 13 178.574 0.024 . 1 . 4260 . . 62 ARG C . 25714 1 279 . 1 1 77 77 ARG CA C 13 59.570 0.045 . 1 . 4012 . . 62 ARG CA . 25714 1 280 . 1 1 77 77 ARG CB C 13 28.845 0.068 . 1 . 4013 . . 62 ARG CB . 25714 1 281 . 1 1 77 77 ARG N N 15 122.155 0.219 . 1 . 3371 . . 62 ARG N . 25714 1 282 . 1 1 78 78 GLU H H 1 8.303 0.024 . 1 . 3570 . . 63 GLU H . 25714 1 283 . 1 1 78 78 GLU C C 13 179.556 0.011 . 1 . 4171 . . 63 GLU C . 25714 1 284 . 1 1 78 78 GLU CA C 13 58.501 . . 1 . 3776 . . 63 GLU CA . 25714 1 285 . 1 1 78 78 GLU CB C 13 30.685 . . 1 . 3777 . . 63 GLU CB . 25714 1 286 . 1 1 78 78 GLU N N 15 117.292 0.067 . 1 . 3571 . . 63 GLU N . 25714 1 287 . 1 1 80 80 GLN H H 1 8.257 0.032 . 1 . 3576 . . 65 GLN H . 25714 1 288 . 1 1 80 80 GLN C C 13 179.697 0.021 . 1 . 4175 . . 65 GLN C . 25714 1 289 . 1 1 80 80 GLN CA C 13 59.547 . . 1 . 3999 . . 65 GLN CA . 25714 1 290 . 1 1 80 80 GLN CB C 13 27.653 . . 1 . 4000 . . 65 GLN CB . 25714 1 291 . 1 1 80 80 GLN N N 15 122.022 0.162 . 1 . 3577 . . 65 GLN N . 25714 1 292 . 1 1 82 82 CYS C C 13 176.187 0.018 . 1 . 4289 . . 67 CYS C . 25714 1 293 . 1 1 82 82 CYS CA C 13 65.106 . . 1 . 4564 . . 67 CYS CA . 25714 1 294 . 1 1 82 82 CYS CB C 13 25.352 . . 1 . 4563 . . 67 CYS CB . 25714 1 295 . 1 1 83 83 LYS H H 1 8.021 0.002 . 1 . 4286 . . 68 LYS H . 25714 1 296 . 1 1 83 83 LYS C C 13 179.448 0.018 . 1 . 4288 . . 68 LYS C . 25714 1 297 . 1 1 83 83 LYS CA C 13 59.696 . . 1 . 4565 . . 68 LYS CA . 25714 1 298 . 1 1 83 83 LYS CB C 13 31.759 . . 1 . 4562 . . 68 LYS CB . 25714 1 299 . 1 1 83 83 LYS N N 15 117.437 0.045 . 1 . 4287 . . 68 LYS N . 25714 1 300 . 1 1 87 87 GLN H H 1 7.488 0.02 . 1 . 4123 . . 72 GLN H . 25714 1 301 . 1 1 87 87 GLN N N 15 117.290 0.007 . 1 . 4124 . . 72 GLN N . 25714 1 302 . 1 1 88 88 THR CB C 13 68.177 . . 1 . 4111 . . 73 THR CB . 25714 1 303 . 1 1 89 89 ASP H H 1 9.024 0.013 . 1 . 3494 . . 74 ASP H . 25714 1 304 . 1 1 89 89 ASP C C 13 178.553 0.014 . 1 . 4278 . . 74 ASP C . 25714 1 305 . 1 1 89 89 ASP CA C 13 56.918 0.075 . 1 . 3702 . . 74 ASP CA . 25714 1 306 . 1 1 89 89 ASP CB C 13 39.265 0.066 . 1 . 3704 . . 74 ASP CB . 25714 1 307 . 1 1 89 89 ASP N N 15 122.049 0.078 . 1 . 3495 . . 74 ASP N . 25714 1 308 . 1 1 90 90 ARG H H 1 7.772 0.018 . 1 . 3416 . . 75 ARG H . 25714 1 309 . 1 1 90 90 ARG C C 13 179.533 0.025 . 1 . 4277 . . 75 ARG C . 25714 1 310 . 1 1 90 90 ARG CA C 13 60.225 0.002 . 1 . 3785 . . 75 ARG CA . 25714 1 311 . 1 1 90 90 ARG CB C 13 29.343 0.041 . 1 . 3786 . . 75 ARG CB . 25714 1 312 . 1 1 90 90 ARG N N 15 119.593 0.052 . 1 . 3417 . . 75 ARG N . 25714 1 313 . 1 1 91 91 GLU H H 1 7.592 0.013 . 1 . 3410 . . 76 GLU H . 25714 1 314 . 1 1 91 91 GLU C C 13 179.008 0.081 . 1 . 4321 . . 76 GLU C . 25714 1 315 . 1 1 91 91 GLU CA C 13 58.503 0.088 . 1 . 3887 . . 76 GLU CA . 25714 1 316 . 1 1 91 91 GLU CB C 13 28.729 0.038 . 1 . 4025 . . 76 GLU CB . 25714 1 317 . 1 1 91 91 GLU N N 15 120.185 0.205 . 1 . 3411 . . 76 GLU N . 25714 1 318 . 1 1 92 92 ASP H H 1 9.343 0.057 . 1 . 3476 . . 77 ASP H . 25714 1 319 . 1 1 92 92 ASP C C 13 178.709 0.017 . 1 . 4364 . . 77 ASP C . 25714 1 320 . 1 1 92 92 ASP CA C 13 57.251 . . 1 . 4064 . . 77 ASP CA . 25714 1 321 . 1 1 92 92 ASP CB C 13 40.254 . . 1 . 3874 . . 77 ASP CB . 25714 1 322 . 1 1 92 92 ASP N N 15 123.344 0.164 . 1 . 3477 . . 77 ASP N . 25714 1 323 . 1 1 93 93 LEU H H 1 8.823 0.003 . 1 . 4372 . . 78 LEU H . 25714 1 324 . 1 1 93 93 LEU C C 13 180.285 0.003 . 1 . 4296 . . 78 LEU C . 25714 1 325 . 1 1 93 93 LEU CA C 13 58.509 . . 1 . 4425 . . 78 LEU CA . 25714 1 326 . 1 1 93 93 LEU CB C 13 41.237 . . 1 . 4426 . . 78 LEU CB . 25714 1 327 . 1 1 93 93 LEU N N 15 120.626 0.085 . 1 . 4424 . . 78 LEU N . 25714 1 328 . 1 1 94 94 ARG H H 1 7.142 0.011 . 1 . 3443 . . 79 ARG H . 25714 1 329 . 1 1 94 94 ARG C C 13 179.510 0.001 . 1 . 4297 . . 79 ARG C . 25714 1 330 . 1 1 94 94 ARG CA C 13 59.051 . . 1 . 4105 . . 79 ARG CA . 25714 1 331 . 1 1 94 94 ARG CB C 13 28.543 0.022 . 1 . 3797 . . 79 ARG CB . 25714 1 332 . 1 1 94 94 ARG N N 15 119.281 0.088 . 1 . 3444 . . 79 ARG N . 25714 1 333 . 1 1 95 95 THR H H 1 8.321 0.062 . 1 . 3344 . . 80 THR H . 25714 1 334 . 1 1 95 95 THR C C 13 176.119 0.017 . 1 . 4266 . . 80 THR C . 25714 1 335 . 1 1 95 95 THR CA C 13 65.615 0.125 . 1 . 4062 . . 80 THR CA . 25714 1 336 . 1 1 95 95 THR CB C 13 67.452 0.068 . 1 . 3750 . . 80 THR CB . 25714 1 337 . 1 1 95 95 THR N N 15 121.458 0.13 . 1 . 3345 . . 80 THR N . 25714 1 338 . 1 1 96 96 LEU H H 1 8.322 0.013 . 1 . 3340 . . 81 LEU H . 25714 1 339 . 1 1 96 96 LEU C C 13 178.720 0.006 . 1 . 4180 . . 81 LEU C . 25714 1 340 . 1 1 96 96 LEU CA C 13 58.575 0.009 . 1 . 3902 . . 81 LEU CA . 25714 1 341 . 1 1 96 96 LEU CB C 13 40.25 . . 1 . 4026 . . 81 LEU CB . 25714 1 342 . 1 1 96 96 LEU N N 15 122.259 0.131 . 1 . 3341 . . 81 LEU N . 25714 1 343 . 1 1 97 97 LEU H H 1 7.181 0.014 . 1 . 3431 . . 82 LEU H . 25714 1 344 . 1 1 97 97 LEU C C 13 180.603 0.006 . 1 . 4179 . . 82 LEU C . 25714 1 345 . 1 1 97 97 LEU CA C 13 58.050 . . 1 . 3841 . . 82 LEU CA . 25714 1 346 . 1 1 97 97 LEU CB C 13 40.631 . . 1 . 3842 . . 82 LEU CB . 25714 1 347 . 1 1 97 97 LEU N N 15 116.897 0.115 . 1 . 3432 . . 82 LEU N . 25714 1 348 . 1 1 98 98 ARG H H 1 7.214 0.014 . 1 . 3429 . . 83 ARG H . 25714 1 349 . 1 1 98 98 ARG C C 13 180.782 0.042 . 1 . 4141 . . 83 ARG C . 25714 1 350 . 1 1 98 98 ARG CA C 13 58.265 0.04 . 1 . 3991 . . 83 ARG CA . 25714 1 351 . 1 1 98 98 ARG CB C 13 28.69 18.425 . 1 . 3992 . . 83 ARG CB . 25714 1 352 . 1 1 98 98 ARG N N 15 117.411 0.044 . 1 . 3430 . . 83 ARG N . 25714 1 353 . 1 1 99 99 TYR H H 1 8.728 0.021 . 1 . 3586 . . 84 TYR H . 25714 1 354 . 1 1 99 99 TYR C C 13 179.245 0.006 . 1 . 4140 . . 84 TYR C . 25714 1 355 . 1 1 99 99 TYR CA C 13 57.203 0.037 . 1 . 4068 . . 84 TYR CA . 25714 1 356 . 1 1 99 99 TYR CB C 13 36.322 0.018 . 1 . 3793 . . 84 TYR CB . 25714 1 357 . 1 1 99 99 TYR N N 15 120.922 0.1 . 1 . 3587 . . 84 TYR N . 25714 1 358 . 1 1 100 100 TYR H H 1 8.092 0.014 . 1 . 4961 . . 85 TYR H . 25714 1 359 . 1 1 100 100 TYR C C 13 175.180 0.001 . 1 . 4168 . . 85 TYR C . 25714 1 360 . 1 1 100 100 TYR CA C 13 59.073 0.072 . 1 . 3933 . . 85 TYR CA . 25714 1 361 . 1 1 100 100 TYR CB C 13 37.418 0.028 . 1 . 3934 . . 85 TYR CB . 25714 1 362 . 1 1 100 100 TYR N N 15 113.530 0.074 . 1 . 4962 . . 85 TYR N . 25714 1 363 . 1 1 101 101 ASN H H 1 7.959 0.011 . 1 . 3360 . . 86 ASN H . 25714 1 364 . 1 1 101 101 ASN C C 13 174.897 0.01 . 1 . 4242 . . 86 ASN C . 25714 1 365 . 1 1 101 101 ASN CA C 13 54.331 0.087 . 1 . 3759 . . 86 ASN CA . 25714 1 366 . 1 1 101 101 ASN CB C 13 36.831 0.001 . 1 . 3760 . . 86 ASN CB . 25714 1 367 . 1 1 101 101 ASN N N 15 121.321 0.044 . 1 . 3361 . . 86 ASN N . 25714 1 368 . 1 1 102 102 GLN H H 1 8.949 0.008 . 1 . 3244 . . 87 GLN H . 25714 1 369 . 1 1 102 102 GLN CB C 13 30.942 . . 1 . 3761 . . 87 GLN CB . 25714 1 370 . 1 1 102 102 GLN N N 15 118.483 0.047 . 1 . 3245 . . 87 GLN N . 25714 1 371 . 1 1 106 106 GLY H H 1 7.533 0.004 . 1 . 3594 . . 91 GLY H . 25714 1 372 . 1 1 106 106 GLY C C 13 172.470 0.001 . 1 . 4363 . . 91 GLY C . 25714 1 373 . 1 1 106 106 GLY CA C 13 43.978 0.025 . 1 . 3966 . . 91 GLY CA . 25714 1 374 . 1 1 106 106 GLY N N 15 105.724 0.119 . 1 . 3595 . . 91 GLY N . 25714 1 375 . 1 1 107 107 SER H H 1 8.058 0.019 . 1 . 3422 . . 92 SER H . 25714 1 376 . 1 1 107 107 SER C C 13 174.786 0.013 . 1 . 4362 . . 92 SER C . 25714 1 377 . 1 1 107 107 SER CA C 13 57.263 . . 1 . 3965 . . 92 SER CA . 25714 1 378 . 1 1 107 107 SER N N 15 115.290 0.103 . 1 . 4959 . . 92 SER N . 25714 1 379 . 1 1 108 108 HIS H H 1 8.580 0.021 . 1 . 3498 . . 93 HIS H . 25714 1 380 . 1 1 108 108 HIS C C 13 173.216 0.016 . 1 . 4252 . . 93 HIS C . 25714 1 381 . 1 1 108 108 HIS CA C 13 54.701 0.044 . 1 . 4033 . . 93 HIS CA . 25714 1 382 . 1 1 108 108 HIS CB C 13 33.247 0.008 . 1 . 3971 . . 93 HIS CB . 25714 1 383 . 1 1 108 108 HIS N N 15 124.546 0.116 . 1 . 3499 . . 93 HIS N . 25714 1 384 . 1 1 109 109 THR H H 1 8.628 0.011 . 1 . 3178 . . 94 THR H . 25714 1 385 . 1 1 109 109 THR CA C 13 61.680 0.038 . 1 . 4007 . . 94 THR CA . 25714 1 386 . 1 1 109 109 THR CB C 13 71.027 0.078 . 1 . 4006 . . 94 THR CB . 25714 1 387 . 1 1 109 109 THR N N 15 114.416 0.073 . 1 . 3179 . . 94 THR N . 25714 1 388 . 1 1 110 110 LEU H H 1 9.807 0.065 . 1 . 3496 . . 95 LEU H . 25714 1 389 . 1 1 110 110 LEU CA C 13 53.782 0.053 . 1 . 3799 . . 95 LEU CA . 25714 1 390 . 1 1 110 110 LEU CB C 13 45.960 0.031 . 1 . 3800 . . 95 LEU CB . 25714 1 391 . 1 1 110 110 LEU N N 15 130.815 0.103 . 1 . 3497 . . 95 LEU N . 25714 1 392 . 1 1 111 111 GLN H H 1 9.204 0.008 . 1 . 3534 . . 96 GLN H . 25714 1 393 . 1 1 111 111 GLN C C 13 174.934 0.066 . 1 . 4307 . . 96 GLN C . 25714 1 394 . 1 1 111 111 GLN CA C 13 53.501 0.035 . 1 . 4044 . . 96 GLN CA . 25714 1 395 . 1 1 111 111 GLN CB C 13 36.401 . . 1 . 3977 . . 96 GLN CB . 25714 1 396 . 1 1 111 111 GLN N N 15 125.512 0.095 . 1 . 3535 . . 96 GLN N . 25714 1 397 . 1 1 112 112 ASN H H 1 9.328 0.023 . 1 . 3188 . . 97 ASN H . 25714 1 398 . 1 1 112 112 ASN C C 13 174.794 0.011 . 1 . 4220 . . 97 ASN C . 25714 1 399 . 1 1 112 112 ASN CB C 13 45.242 0.039 . 1 . 3950 . . 97 ASN CB . 25714 1 400 . 1 1 112 112 ASN N N 15 117.483 0.16 . 1 . 3189 . . 97 ASN N . 25714 1 401 . 1 1 113 113 MET H H 1 9.858 0.147 . 1 . 3598 . . 98 MET H . 25714 1 402 . 1 1 113 113 MET C C 13 174.255 0.003 . 1 . 4221 . . 98 MET C . 25714 1 403 . 1 1 113 113 MET CA C 13 54.305 0.009 . 1 . 4056 . . 98 MET CA . 25714 1 404 . 1 1 113 113 MET CB C 13 35.999 0.091 . 1 . 4055 . . 98 MET CB . 25714 1 405 . 1 1 113 113 MET N N 15 132.363 0.1 . 1 . 3599 . . 98 MET N . 25714 1 406 . 1 1 114 114 TYR H H 1 8.488 0.027 . 1 . 3564 . . 99 TYR H . 25714 1 407 . 1 1 114 114 TYR C C 13 173.169 0.02 . 1 . 4183 . . 99 TYR C . 25714 1 408 . 1 1 114 114 TYR CA C 13 57.423 0.019 . 1 . 3830 . . 99 TYR CA . 25714 1 409 . 1 1 114 114 TYR CB C 13 41.766 0.019 . 1 . 3831 . . 99 TYR CB . 25714 1 410 . 1 1 114 114 TYR N N 15 119.055 0.231 . 1 . 3565 . . 99 TYR N . 25714 1 411 . 1 1 115 115 GLY H H 1 8.712 0.018 . 1 . 3139 . . 100 GLY H . 25714 1 412 . 1 1 115 115 GLY C C 13 170.508 0.003 . 1 . 4184 . . 100 GLY C . 25714 1 413 . 1 1 115 115 GLY CA C 13 45.358 0.002 . 1 . 3896 . . 100 GLY CA . 25714 1 414 . 1 1 115 115 GLY N N 15 104.861 0.173 . 1 . 3140 . . 100 GLY N . 25714 1 415 . 1 1 116 116 CYS H H 1 8.855 0.048 . 1 . 3161 . . 101 CYS H . 25714 1 416 . 1 1 116 116 CYS C C 13 171.780 0.024 . 1 . 4285 . . 101 CYS C . 25714 1 417 . 1 1 116 116 CYS CA C 13 53.153 0.019 . 1 . 3678 . . 101 CYS CA . 25714 1 418 . 1 1 116 116 CYS CB C 13 48.953 0.028 . 1 . 3679 . . 101 CYS CB . 25714 1 419 . 1 1 116 116 CYS N N 15 111.291 0.26 . 1 . 3162 . . 101 CYS N . 25714 1 420 . 1 1 117 117 ASP H H 1 8.992 0.02 . 1 . 3276 . . 102 ASP H . 25714 1 421 . 1 1 117 117 ASP C C 13 176.253 0.005 . 1 . 4284 . . 102 ASP C . 25714 1 422 . 1 1 117 117 ASP CA C 13 52.439 0.082 . 1 . 3779 . . 102 ASP CA . 25714 1 423 . 1 1 117 117 ASP CB C 13 42.266 0.023 . 1 . 3780 . . 102 ASP CB . 25714 1 424 . 1 1 117 117 ASP N N 15 121.537 0.104 . 1 . 3277 . . 102 ASP N . 25714 1 425 . 1 1 118 118 VAL H H 1 9.539 0.015 . 1 . 3202 . . 103 VAL H . 25714 1 426 . 1 1 118 118 VAL C C 13 175.396 0.013 . 1 . 4368 . . 103 VAL C . 25714 1 427 . 1 1 118 118 VAL CA C 13 59.613 0.032 . 1 . 3778 . . 103 VAL CA . 25714 1 428 . 1 1 118 118 VAL CB C 13 34.665 0.088 . 1 . 3781 . . 103 VAL CB . 25714 1 429 . 1 1 118 118 VAL N N 15 121.244 0.124 . 1 . 3203 . . 103 VAL N . 25714 1 430 . 1 1 119 119 GLY H H 1 8.549 0.015 . 1 . 4953 . . 104 GLY H . 25714 1 431 . 1 1 119 119 GLY CA C 13 44.210 . . 1 . 3857 . . 104 GLY CA . 25714 1 432 . 1 1 119 119 GLY N N 15 111.311 0.075 . 1 . 3171 . . 104 GLY N . 25714 1 433 . 1 1 120 120 PRO C C 13 176.908 0.012 . 1 . 4305 . . 105 PRO C . 25714 1 434 . 1 1 120 120 PRO CA C 13 64.464 . . 1 . 4078 . . 105 PRO CA . 25714 1 435 . 1 1 120 120 PRO CB C 13 31.161 . . 1 . 4079 . . 105 PRO CB . 25714 1 436 . 1 1 121 121 ASP H H 1 8.086 0.013 . 1 . 3420 . . 106 ASP H . 25714 1 437 . 1 1 121 121 ASP C C 13 177.377 0.002 . 1 . 4304 . . 106 ASP C . 25714 1 438 . 1 1 121 121 ASP CA C 13 52.707 0.036 . 1 . 3684 . . 106 ASP CA . 25714 1 439 . 1 1 121 121 ASP CB C 13 39.682 0.005 . 1 . 3685 . . 106 ASP CB . 25714 1 440 . 1 1 121 121 ASP N N 15 115.681 0.044 . 1 . 3421 . . 106 ASP N . 25714 1 441 . 1 1 122 122 GLY H H 1 8.414 0.01 . 1 . 3153 . . 107 GLY H . 25714 1 442 . 1 1 122 122 GLY C C 13 173.316 0.016 . 1 . 4319 . . 107 GLY C . 25714 1 443 . 1 1 122 122 GLY CA C 13 45.284 . . 1 . 4080 . . 107 GLY CA . 25714 1 444 . 1 1 122 122 GLY N N 15 108.787 0.05 . 1 . 3154 . . 107 GLY N . 25714 1 445 . 1 1 123 123 ARG H H 1 7.551 0.006 . 1 . 3439 . . 108 ARG H . 25714 1 446 . 1 1 123 123 ARG C C 13 176.407 0.006 . 1 . 4329 . . 108 ARG C . 25714 1 447 . 1 1 123 123 ARG CA C 13 54.701 0.006 . 1 . 4020 . . 108 ARG CA . 25714 1 448 . 1 1 123 123 ARG CB C 13 30.640 0.058 . 1 . 4003 . . 108 ARG CB . 25714 1 449 . 1 1 123 123 ARG N N 15 118.843 0.048 . 1 . 3440 . . 108 ARG N . 25714 1 450 . 1 1 124 124 LEU H H 1 8.717 0.005 . 1 . 3522 . . 109 LEU H . 25714 1 451 . 1 1 124 124 LEU C C 13 176.685 0.013 . 1 . 4293 . . 109 LEU C . 25714 1 452 . 1 1 124 124 LEU CA C 13 56.487 0.013 . 1 . 4045 . . 109 LEU CA . 25714 1 453 . 1 1 124 124 LEU CB C 13 41.396 0.047 . 1 . 3820 . . 109 LEU CB . 25714 1 454 . 1 1 124 124 LEU N N 15 122.720 0.048 . 1 . 3523 . . 109 LEU N . 25714 1 455 . 1 1 125 125 LEU H H 1 9.453 0.013 . 1 . 3226 . . 110 LEU H . 25714 1 456 . 1 1 125 125 LEU C C 13 177.415 0.003 . 1 . 4292 . . 110 LEU C . 25714 1 457 . 1 1 125 125 LEU CA C 13 55.756 . . 1 . 3919 . . 110 LEU CA . 25714 1 458 . 1 1 125 125 LEU CB C 13 43.056 0.096 . 1 . 3920 . . 110 LEU CB . 25714 1 459 . 1 1 125 125 LEU N N 15 129.978 0.062 . 1 . 3227 . . 110 LEU N . 25714 1 460 . 1 1 126 126 ARG H H 1 7.322 0.011 . 1 . 3433 . . 111 ARG H . 25714 1 461 . 1 1 126 126 ARG C C 13 174.164 0.005 . 1 . 4207 . . 111 ARG C . 25714 1 462 . 1 1 126 126 ARG N N 15 116.242 0.093 . 1 . 3434 . . 111 ARG N . 25714 1 463 . 1 1 127 127 GLY H H 1 8.663 0.063 . 1 . 3600 . . 112 GLY H . 25714 1 464 . 1 1 127 127 GLY C C 13 170.450 0.008 . 1 . 4369 . . 112 GLY C . 25714 1 465 . 1 1 127 127 GLY CA C 13 43.559 0.001 . 1 . 4060 . . 112 GLY CA . 25714 1 466 . 1 1 127 127 GLY N N 15 110.677 0.173 . 1 . 3601 . . 112 GLY N . 25714 1 467 . 1 1 128 128 TYR H H 1 8.519 0.007 . 1 . 3574 . . 113 TYR H . 25714 1 468 . 1 1 128 128 TYR C C 13 177.108 0.004 . 1 . 4353 . . 113 TYR C . 25714 1 469 . 1 1 128 128 TYR CA C 13 56.260 0.03 . 1 . 3674 . . 113 TYR CA . 25714 1 470 . 1 1 128 128 TYR CB C 13 41.936 0.014 . 1 . 3676 . . 113 TYR CB . 25714 1 471 . 1 1 128 128 TYR N N 15 117.023 0.158 . 1 . 3575 . . 113 TYR N . 25714 1 472 . 1 1 129 129 HIS H H 1 9.898 0.046 . 1 . 3544 . . 114 HIS H . 25714 1 473 . 1 1 129 129 HIS C C 13 173.729 0.014 . 1 . 4258 . . 114 HIS C . 25714 1 474 . 1 1 129 129 HIS CA C 13 59.093 0.041 . 1 . 4050 . . 114 HIS CA . 25714 1 475 . 1 1 129 129 HIS CB C 13 30.276 0.007 . 1 . 4051 . . 114 HIS CB . 25714 1 476 . 1 1 129 129 HIS N N 15 119.393 0.062 . 1 . 3545 . . 114 HIS N . 25714 1 477 . 1 1 130 130 GLN H H 1 9.864 0.019 . 1 . 3490 . . 115 GLN H . 25714 1 478 . 1 1 130 130 GLN C C 13 175.380 0.006 . 1 . 4326 . . 115 GLN C . 25714 1 479 . 1 1 130 130 GLN CA C 13 55.608 0.042 . 1 . 3881 . . 115 GLN CA . 25714 1 480 . 1 1 130 130 GLN CB C 13 32.564 0.079 . 1 . 3882 . . 115 GLN CB . 25714 1 481 . 1 1 130 130 GLN N N 15 125.943 0.424 . 1 . 3491 . . 115 GLN N . 25714 1 482 . 1 1 131 131 ASP H H 1 9.284 0.116 . 1 . 3556 . . 116 ASP H . 25714 1 483 . 1 1 131 131 ASP C C 13 175.746 0.011 . 1 . 4148 . . 116 ASP C . 25714 1 484 . 1 1 131 131 ASP CA C 13 54.127 0.029 . 1 . 3652 . . 116 ASP CA . 25714 1 485 . 1 1 131 131 ASP CB C 13 45.654 0.043 . 1 . 3653 . . 116 ASP CB . 25714 1 486 . 1 1 131 131 ASP N N 15 123.106 0.464 . 1 . 3557 . . 116 ASP N . 25714 1 487 . 1 1 132 132 ALA H H 1 9.049 0.101 . 1 . 3530 . . 117 ALA H . 25714 1 488 . 1 1 132 132 ALA C C 13 175.386 0.003 . 1 . 4149 . . 117 ALA C . 25714 1 489 . 1 1 132 132 ALA CA C 13 51.294 0.02 . 1 . 3711 . . 117 ALA CA . 25714 1 490 . 1 1 132 132 ALA CB C 13 19.307 0.042 . 1 . 3712 . . 117 ALA CB . 25714 1 491 . 1 1 132 132 ALA N N 15 125.403 0.403 . 1 . 3531 . . 117 ALA N . 25714 1 492 . 1 1 133 133 TYR H H 1 8.414 0.112 . 1 . 3554 . . 118 TYR H . 25714 1 493 . 1 1 133 133 TYR C C 13 175.070 0.005 . 1 . 4313 . . 118 TYR C . 25714 1 494 . 1 1 133 133 TYR CA C 13 54.252 0.031 . 1 . 3928 . . 118 TYR CA . 25714 1 495 . 1 1 133 133 TYR CB C 13 40.478 0.003 . 1 . 3946 . . 118 TYR CB . 25714 1 496 . 1 1 133 133 TYR N N 15 122.288 0.104 . 1 . 3555 . . 118 TYR N . 25714 1 497 . 1 1 134 134 ASP H H 1 9.738 0.017 . 1 . 3232 . . 119 ASP H . 25714 1 498 . 1 1 134 134 ASP C C 13 174.653 0.022 . 1 . 4314 . . 119 ASP C . 25714 1 499 . 1 1 134 134 ASP CA C 13 55.329 0.126 . 1 . 3945 . . 119 ASP CA . 25714 1 500 . 1 1 134 134 ASP CB C 13 38.203 0.094 . 1 . 3947 . . 119 ASP CB . 25714 1 501 . 1 1 134 134 ASP N N 15 129.403 0.05 . 1 . 3233 . . 119 ASP N . 25714 1 502 . 1 1 135 135 GLY H H 1 9.414 0.04 . 1 . 3135 . . 120 GLY H . 25714 1 503 . 1 1 135 135 GLY C C 13 171.959 0.028 . 1 . 4376 . . 120 GLY C . 25714 1 504 . 1 1 135 135 GLY CA C 13 44.288 0.013 . 1 . 3816 . . 120 GLY CA . 25714 1 505 . 1 1 135 135 GLY N N 15 102.480 0.174 . 1 . 3136 . . 120 GLY N . 25714 1 506 . 1 1 136 136 LYS H H 1 7.371 0.023 . 1 . 3437 . . 121 LYS H . 25714 1 507 . 1 1 136 136 LYS C C 13 174.904 0.002 . 1 . 4375 . . 121 LYS C . 25714 1 508 . 1 1 136 136 LYS CA C 13 53.631 0.036 . 1 . 3748 . . 121 LYS CA . 25714 1 509 . 1 1 136 136 LYS CB C 13 34.067 0.037 . 1 . 3749 . . 121 LYS CB . 25714 1 510 . 1 1 136 136 LYS N N 15 118.857 0.248 . 1 . 3438 . . 121 LYS N . 25714 1 511 . 1 1 137 137 ASP H H 1 8.465 0.017 . 1 . 3504 . . 122 ASP H . 25714 1 512 . 1 1 137 137 ASP C C 13 173.998 0.01 . 1 . 4186 . . 122 ASP C . 25714 1 513 . 1 1 137 137 ASP CA C 13 57.797 . . 1 . 3913 . . 122 ASP CA . 25714 1 514 . 1 1 137 137 ASP CB C 13 41.106 . . 1 . 3914 . . 122 ASP CB . 25714 1 515 . 1 1 137 137 ASP N N 15 121.713 0.217 . 1 . 3505 . . 122 ASP N . 25714 1 516 . 1 1 138 138 TYR H H 1 8.855 0.145 . 1 . 3540 . . 123 TYR H . 25714 1 517 . 1 1 138 138 TYR C C 13 172.155 0.004 . 1 . 4151 . . 123 TYR C . 25714 1 518 . 1 1 138 138 TYR CA C 13 60.276 0.029 . 1 . 4022 . . 123 TYR CA . 25714 1 519 . 1 1 138 138 TYR CB C 13 40.457 . . 1 . 4108 . . 123 TYR CB . 25714 1 520 . 1 1 138 138 TYR N N 15 120.765 1.296 . 1 . 3541 . . 123 TYR N . 25714 1 521 . 1 1 139 139 ILE H H 1 7.599 0.13 . 1 . 3580 . . 124 ILE H . 25714 1 522 . 1 1 139 139 ILE C C 13 173.693 0.024 . 1 . 4150 . . 124 ILE C . 25714 1 523 . 1 1 139 139 ILE CA C 13 60.303 . . 1 . 4081 . . 124 ILE CA . 25714 1 524 . 1 1 139 139 ILE CB C 13 41.096 0.039 . 1 . 4021 . . 124 ILE CB . 25714 1 525 . 1 1 139 139 ILE N N 15 114.562 0.089 . 1 . 3581 . . 124 ILE N . 25714 1 526 . 1 1 140 140 ALA H H 1 8.926 0.015 . 1 . 3236 . . 125 ALA H . 25714 1 527 . 1 1 140 140 ALA C C 13 175.613 0.082 . 1 . 4222 . . 125 ALA C . 25714 1 528 . 1 1 140 140 ALA CA C 13 51.384 0.103 . 1 . 3885 . . 125 ALA CA . 25714 1 529 . 1 1 140 140 ALA CB C 13 22.946 0.069 . 1 . 3886 . . 125 ALA CB . 25714 1 530 . 1 1 140 140 ALA N N 15 131.924 0.111 . 1 . 3237 . . 125 ALA N . 25714 1 531 . 1 1 141 141 LEU H H 1 9.208 0.086 . 1 . 3280 . . 126 LEU H . 25714 1 532 . 1 1 141 141 LEU C C 13 176.904 0.01 . 1 . 4338 . . 126 LEU C . 25714 1 533 . 1 1 141 141 LEU CA C 13 54.567 . . 1 . 3918 . . 126 LEU CA . 25714 1 534 . 1 1 141 141 LEU CB C 13 43.198 0.052 . 1 . 3847 . . 126 LEU CB . 25714 1 535 . 1 1 141 141 LEU N N 15 126.036 0.062 . 1 . 3281 . . 126 LEU N . 25714 1 536 . 1 1 142 142 ASN H H 1 8.802 0.077 . 1 . 3308 . . 127 ASN H . 25714 1 537 . 1 1 142 142 ASN C C 13 176.498 0.017 . 1 . 4291 . . 127 ASN C . 25714 1 538 . 1 1 142 142 ASN CA C 13 52.812 0.002 . 1 . 3803 . . 127 ASN CA . 25714 1 539 . 1 1 142 142 ASN CB C 13 37.609 0.029 . 1 . 3804 . . 127 ASN CB . 25714 1 540 . 1 1 142 142 ASN N N 15 126.802 0.808 . 1 . 3309 . . 127 ASN N . 25714 1 541 . 1 1 143 143 GLU H H 1 8.972 0.009 . 1 . 3274 . . 128 GLU H . 25714 1 542 . 1 1 143 143 GLU C C 13 176.564 0.015 . 1 . 4211 . . 128 GLU C . 25714 1 543 . 1 1 143 143 GLU CA C 13 59.000 0.085 . 1 . 3741 . . 128 GLU CA . 25714 1 544 . 1 1 143 143 GLU CB C 13 28.776 0.014 . 1 . 3744 . . 128 GLU CB . 25714 1 545 . 1 1 143 143 GLU N N 15 119.942 0.037 . 1 . 3275 . . 128 GLU N . 25714 1 546 . 1 1 144 144 ASP H H 1 7.509 0.007 . 1 . 3425 . . 129 ASP H . 25714 1 547 . 1 1 144 144 ASP C C 13 176.862 0.001 . 1 . 4210 . . 129 ASP C . 25714 1 548 . 1 1 144 144 ASP CA C 13 53.944 0.042 . 1 . 3742 . . 129 ASP CA . 25714 1 549 . 1 1 144 144 ASP CB C 13 39.263 0.002 . 1 . 3743 . . 129 ASP CB . 25714 1 550 . 1 1 144 144 ASP N N 15 116.277 0.056 . 1 . 3426 . . 129 ASP N . 25714 1 551 . 1 1 145 145 LEU H H 1 8.735 0.022 . 1 . 3482 . . 130 LEU H . 25714 1 552 . 1 1 145 145 LEU C C 13 175.382 0.012 . 1 . 4257 . . 130 LEU C . 25714 1 553 . 1 1 145 145 LEU CA C 13 55.413 0.086 . 1 . 3935 . . 130 LEU CA . 25714 1 554 . 1 1 145 145 LEU CB C 13 38.225 0.052 . 1 . 3936 . . 130 LEU CB . 25714 1 555 . 1 1 145 145 LEU N N 15 117.163 0.074 . 1 . 3483 . . 130 LEU N . 25714 1 556 . 1 1 146 146 SER H H 1 8.432 0.011 . 1 . 3155 . . 131 SER H . 25714 1 557 . 1 1 146 146 SER C C 13 172.520 0.006 . 1 . 4256 . . 131 SER C . 25714 1 558 . 1 1 146 146 SER CA C 13 57.744 0.092 . 1 . 3873 . . 131 SER CA . 25714 1 559 . 1 1 146 146 SER CB C 13 65.404 0.087 . 1 . 3872 . . 131 SER CB . 25714 1 560 . 1 1 146 146 SER N N 15 109.310 0.134 . 1 . 3156 . . 131 SER N . 25714 1 561 . 1 1 147 147 SER H H 1 8.151 0.018 . 1 . 3258 . . 132 SER H . 25714 1 562 . 1 1 147 147 SER C C 13 171.770 0.013 . 1 . 4271 . . 132 SER C . 25714 1 563 . 1 1 147 147 SER CA C 13 56.529 0.028 . 1 . 3718 . . 132 SER CA . 25714 1 564 . 1 1 147 147 SER CB C 13 65.871 0.049 . 1 . 3717 . . 132 SER CB . 25714 1 565 . 1 1 147 147 SER N N 15 117.139 0.046 . 1 . 3259 . . 132 SER N . 25714 1 566 . 1 1 148 148 TRP H H 1 8.549 0.03 . 1 . 3270 . . 133 TRP H . 25714 1 567 . 1 1 148 148 TRP C C 13 177.269 0.015 . 1 . 4264 . . 133 TRP C . 25714 1 568 . 1 1 148 148 TRP CA C 13 55.766 . . 1 . 4082 . . 133 TRP CA . 25714 1 569 . 1 1 148 148 TRP CB C 13 33.003 . . 1 . 4083 . . 133 TRP CB . 25714 1 570 . 1 1 148 148 TRP N N 15 119.492 0.04 . 1 . 3271 . . 133 TRP N . 25714 1 571 . 1 1 149 149 THR H H 1 9.652 0.023 . 1 . 3182 . . 134 THR H . 25714 1 572 . 1 1 149 149 THR C C 13 173.880 0.014 . 1 . 4265 . . 134 THR C . 25714 1 573 . 1 1 149 149 THR CA C 13 63.085 0.029 . 1 . 3978 . . 134 THR CA . 25714 1 574 . 1 1 149 149 THR CB C 13 70.055 0.092 . 1 . 4018 . . 134 THR CB . 25714 1 575 . 1 1 149 149 THR N N 15 118.438 0.053 . 1 . 3183 . . 134 THR N . 25714 1 576 . 1 1 150 150 ALA H H 1 9.201 0.016 . 1 . 3238 . . 135 ALA H . 25714 1 577 . 1 1 150 150 ALA C C 13 177.485 0.023 . 1 . 4354 . . 135 ALA C . 25714 1 578 . 1 1 150 150 ALA CA C 13 50.235 0.032 . 1 . 3967 . . 135 ALA CA . 25714 1 579 . 1 1 150 150 ALA CB C 13 19.550 0.081 . 1 . 4019 . . 135 ALA CB . 25714 1 580 . 1 1 150 150 ALA N N 15 134.047 0.051 . 1 . 3239 . . 135 ALA N . 25714 1 581 . 1 1 151 151 ALA H H 1 8.456 0.034 . 1 . 3396 . . 136 ALA H . 25714 1 582 . 1 1 151 151 ALA C C 13 177.156 0.002 . 1 . 4355 . . 136 ALA C . 25714 1 583 . 1 1 151 151 ALA CA C 13 54.588 0.057 . 1 . 3893 . . 136 ALA CA . 25714 1 584 . 1 1 151 151 ALA CB C 13 19.908 . . 1 . 3968 . . 136 ALA CB . 25714 1 585 . 1 1 151 151 ALA N N 15 125.349 0.064 . 1 . 3397 . . 136 ALA N . 25714 1 586 . 1 1 152 152 ASP H H 1 7.348 0.009 . 1 . 3464 . . 137 ASP H . 25714 1 587 . 1 1 152 152 ASP C C 13 176.206 0.02 . 1 . 4243 . . 137 ASP C . 25714 1 588 . 1 1 152 152 ASP CA C 13 52.638 . . 1 . 3894 . . 137 ASP CA . 25714 1 589 . 1 1 152 152 ASP CB C 13 41.373 . . 1 . 3895 . . 137 ASP CB . 25714 1 590 . 1 1 152 152 ASP N N 15 114.440 0.097 . 1 . 3465 . . 137 ASP N . 25714 1 591 . 1 1 153 153 THR H H 1 7.911 0.006 . 1 . 3558 . . 138 THR H . 25714 1 592 . 1 1 153 153 THR C C 13 176.762 0.01 . 1 . 4159 . . 138 THR C . 25714 1 593 . 1 1 153 153 THR CA C 13 65.250 . . 1 . 4112 . . 138 THR CA . 25714 1 594 . 1 1 153 153 THR CB C 13 68.347 0.056 . 1 . 4058 . . 138 THR CB . 25714 1 595 . 1 1 153 153 THR N N 15 109.974 0.099 . 1 . 3559 . . 138 THR N . 25714 1 596 . 1 1 154 154 ALA H H 1 7.776 0.009 . 1 . 3590 . . 139 ALA H . 25714 1 597 . 1 1 154 154 ALA C C 13 178.361 0.011 . 1 . 4403 . . 139 ALA C . 25714 1 598 . 1 1 154 154 ALA CA C 13 54.638 0.016 . 1 . 4053 . . 139 ALA CA . 25714 1 599 . 1 1 154 154 ALA CB C 13 16.791 0.063 . 1 . 4052 . . 139 ALA CB . 25714 1 600 . 1 1 154 154 ALA N N 15 127.979 0.054 . 1 . 3591 . . 139 ALA N . 25714 1 601 . 1 1 155 155 ALA H H 1 8.236 0.018 . 1 . 3478 . . 140 ALA H . 25714 1 602 . 1 1 155 155 ALA C C 13 179.920 0.018 . 1 . 4299 . . 140 ALA C . 25714 1 603 . 1 1 155 155 ALA CA C 13 53.984 0.077 . 1 . 3897 . . 140 ALA CA . 25714 1 604 . 1 1 155 155 ALA CB C 13 18.911 0.04 . 1 . 3898 . . 140 ALA CB . 25714 1 605 . 1 1 155 155 ALA N N 15 119.029 0.096 . 1 . 3479 . . 140 ALA N . 25714 1 606 . 1 1 156 156 GLN H H 1 7.579 0.033 . 1 . 3516 . . 141 GLN H . 25714 1 607 . 1 1 156 156 GLN C C 13 178.630 0.01 . 1 . 4224 . . 141 GLN C . 25714 1 608 . 1 1 156 156 GLN CA C 13 58.410 0.088 . 1 . 3692 . . 141 GLN CA . 25714 1 609 . 1 1 156 156 GLN CB C 13 27.643 0.036 . 1 . 3693 . . 141 GLN CB . 25714 1 610 . 1 1 156 156 GLN N N 15 117.098 0.181 . 1 . 3517 . . 141 GLN N . 25714 1 611 . 1 1 157 157 ILE H H 1 7.821 0.015 . 1 . 3552 . . 142 ILE H . 25714 1 612 . 1 1 157 157 ILE C C 13 179.880 0.014 . 1 . 4223 . . 142 ILE C . 25714 1 613 . 1 1 157 157 ILE CA C 13 65.543 . . 1 . 4103 . . 142 ILE CA . 25714 1 614 . 1 1 157 157 ILE CB C 13 36.111 . . 1 . 4115 . . 142 ILE CB . 25714 1 615 . 1 1 157 157 ILE N N 15 124.001 0.053 . 1 . 3553 . . 142 ILE N . 25714 1 616 . 1 1 158 158 THR H H 1 6.981 0.079 . 1 . 3520 . . 143 THR H . 25714 1 617 . 1 1 158 158 THR C C 13 174.713 0.005 . 1 . 4248 . . 143 THR C . 25714 1 618 . 1 1 158 158 THR CA C 13 66.601 0.014 . 1 . 4054 . . 143 THR CA . 25714 1 619 . 1 1 158 158 THR CB C 13 67.949 . . 1 . 3691 . . 143 THR CB . 25714 1 620 . 1 1 158 158 THR N N 15 118.091 0.133 . 1 . 3521 . . 143 THR N . 25714 1 621 . 1 1 159 159 GLN H H 1 8.652 0.083 . 1 . 3326 . . 144 GLN H . 25714 1 622 . 1 1 159 159 GLN C C 13 177.262 0.0 . 1 . 4247 . . 144 GLN C . 25714 1 623 . 1 1 159 159 GLN CA C 13 59.740 0.031 . 1 . 3792 . . 144 GLN CA . 25714 1 624 . 1 1 159 159 GLN CB C 13 27.219 0.022 . 1 . 3794 . . 144 GLN CB . 25714 1 625 . 1 1 159 159 GLN N N 15 120.921 0.274 . 1 . 3327 . . 144 GLN N . 25714 1 626 . 1 1 160 160 ARG H H 1 7.701 0.053 . 1 . 3514 . . 145 ARG H . 25714 1 627 . 1 1 160 160 ARG C C 13 180.503 0.01 . 1 . 4238 . . 145 ARG C . 25714 1 628 . 1 1 160 160 ARG CA C 13 59.248 0.033 . 1 . 3937 . . 145 ARG CA . 25714 1 629 . 1 1 160 160 ARG CB C 13 29.315 . . 1 . 3938 . . 145 ARG CB . 25714 1 630 . 1 1 160 160 ARG N N 15 117.807 0.086 . 1 . 3515 . . 145 ARG N . 25714 1 631 . 1 1 161 161 LYS H H 1 7.677 0.021 . 1 . 3408 . . 146 LYS H . 25714 1 632 . 1 1 161 161 LYS C C 13 180.165 0.003 . 1 . 4352 . . 146 LYS C . 25714 1 633 . 1 1 161 161 LYS CB C 13 31.329 . . 1 . 3998 . . 146 LYS CB . 25714 1 634 . 1 1 161 161 LYS N N 15 120.988 0.068 . 1 . 3409 . . 146 LYS N . 25714 1 635 . 1 1 162 162 TRP H H 1 9.217 0.049 . 1 . 3294 . . 147 TRP H . 25714 1 636 . 1 1 162 162 TRP C C 13 181.618 0.039 . 1 . 4128 . . 147 TRP C . 25714 1 637 . 1 1 162 162 TRP CA C 13 58.186 0.039 . 1 . 3651 . . 147 TRP CA . 25714 1 638 . 1 1 162 162 TRP CB C 13 27.430 0.007 . 1 . 3654 . . 147 TRP CB . 25714 1 639 . 1 1 162 162 TRP N N 15 123.192 0.185 . 1 . 3295 . . 147 TRP N . 25714 1 640 . 1 1 163 163 GLU H H 1 9.340 0.016 . 1 . 3528 . . 148 GLU H . 25714 1 641 . 1 1 163 163 GLU C C 13 180.252 0.008 . 1 . 4127 . . 148 GLU C . 25714 1 642 . 1 1 163 163 GLU CA C 13 59.951 0.033 . 1 . 3980 . . 148 GLU CA . 25714 1 643 . 1 1 163 163 GLU CB C 13 28.806 . . 1 . 4098 . . 148 GLU CB . 25714 1 644 . 1 1 163 163 GLU N N 15 126.358 0.104 . 1 . 3529 . . 148 GLU N . 25714 1 645 . 1 1 164 164 ALA H H 1 7.867 0.018 . 1 . 3542 . . 149 ALA H . 25714 1 646 . 1 1 164 164 ALA C C 13 179.307 . . 1 . 4401 . . 149 ALA C . 25714 1 647 . 1 1 164 164 ALA CA C 13 54.951 0.037 . 1 . 3805 . . 149 ALA CA . 25714 1 648 . 1 1 164 164 ALA CB C 13 17.338 0.065 . 1 . 3806 . . 149 ALA CB . 25714 1 649 . 1 1 164 164 ALA N N 15 123.955 0.068 . 1 . 3543 . . 149 ALA N . 25714 1 650 . 1 1 165 165 ALA H H 1 7.738 0.093 . 1 . 3423 . . 150 ALA H . 25714 1 651 . 1 1 165 165 ALA C C 13 176.089 0.015 . 1 . 4158 . . 150 ALA C . 25714 1 652 . 1 1 165 165 ALA CA C 13 51.555 0.039 . 1 . 3728 . . 150 ALA CA . 25714 1 653 . 1 1 165 165 ALA CB C 13 18.694 0.051 . 1 . 3729 . . 150 ALA CB . 25714 1 654 . 1 1 165 165 ALA N N 15 116.997 0.053 . 1 . 3424 . . 150 ALA N . 25714 1 655 . 1 1 166 166 ARG H H 1 7.817 0.033 . 1 . 3518 . . 151 ARG H . 25714 1 656 . 1 1 166 166 ARG C C 13 176.595 0.007 . 1 . 4157 . . 151 ARG C . 25714 1 657 . 1 1 166 166 ARG CA C 13 57.049 . . 1 . 3715 . . 151 ARG CA . 25714 1 658 . 1 1 166 166 ARG CB C 13 25.742 0.01 . 1 . 3716 . . 151 ARG CB . 25714 1 659 . 1 1 166 166 ARG N N 15 115.227 0.06 . 1 . 3519 . . 151 ARG N . 25714 1 660 . 1 1 167 167 VAL H H 1 7.932 0.068 . 1 . 3538 . . 152 VAL H . 25714 1 661 . 1 1 167 167 VAL C C 13 178.043 0.011 . 1 . 4346 . . 152 VAL C . 25714 1 662 . 1 1 167 167 VAL CA C 13 66.242 0.071 . 1 . 3762 . . 152 VAL CA . 25714 1 663 . 1 1 167 167 VAL N N 15 119.250 0.399 . 1 . 3539 . . 152 VAL N . 25714 1 664 . 1 1 168 168 ALA H H 1 9.501 0.088 . 1 . 3480 . . 153 ALA H . 25714 1 665 . 1 1 168 168 ALA C C 13 178.521 0.005 . 1 . 4315 . . 153 ALA C . 25714 1 666 . 1 1 168 168 ALA CA C 13 55.873 0.052 . 1 . 3891 . . 153 ALA CA . 25714 1 667 . 1 1 168 168 ALA CB C 13 15.879 . . 1 . 3892 . . 153 ALA CB . 25714 1 668 . 1 1 168 168 ALA N N 15 121.557 0.049 . 1 . 3481 . . 153 ALA N . 25714 1 669 . 1 1 169 169 GLU H H 1 8.023 0.028 . 1 . 3414 . . 154 GLU H . 25714 1 670 . 1 1 169 169 GLU C C 13 179.975 0.077 . 1 . 4268 . . 154 GLU C . 25714 1 671 . 1 1 169 169 GLU CA C 13 59.813 0.014 . 1 . 4001 . . 154 GLU CA . 25714 1 672 . 1 1 169 169 GLU CB C 13 28.803 0.016 . 1 . 4002 . . 154 GLU CB . 25714 1 673 . 1 1 169 169 GLU N N 15 116.965 0.338 . 1 . 3415 . . 154 GLU N . 25714 1 674 . 1 1 170 170 GLN H H 1 7.459 0.029 . 1 . 3550 . . 155 GLN H . 25714 1 675 . 1 1 170 170 GLN CB C 13 28.616 . . 1 . 3979 . . 155 GLN CB . 25714 1 676 . 1 1 170 170 GLN N N 15 119.919 0.303 . 1 . 3551 . . 155 GLN N . 25714 1 677 . 1 1 172 172 ARG H H 1 9.382 0.008 . 1 . 4821 . . 157 ARG H . 25714 1 678 . 1 1 172 172 ARG C C 13 177.171 . . 1 . 4281 . . 157 ARG C . 25714 1 679 . 1 1 172 172 ARG CA C 13 58.597 . . 1 . 4100 . . 157 ARG CA . 25714 1 680 . 1 1 172 172 ARG CB C 13 29.715 . . 1 . 4099 . . 157 ARG CB . 25714 1 681 . 1 1 172 172 ARG N N 15 121.255 0.049 . 1 . 4822 . . 157 ARG N . 25714 1 682 . 1 1 173 173 ALA H H 1 7.444 0.027 . 1 . 3512 . . 158 ALA H . 25714 1 683 . 1 1 173 173 ALA C C 13 182.179 0.003 . 1 . 4118 . . 158 ALA C . 25714 1 684 . 1 1 173 173 ALA CA C 13 54.868 0.083 . 1 . 3726 . . 158 ALA CA . 25714 1 685 . 1 1 173 173 ALA CB C 13 16.358 0.034 . 1 . 3727 . . 158 ALA CB . 25714 1 686 . 1 1 173 173 ALA N N 15 120.434 1.457 . 1 . 3513 . . 158 ALA N . 25714 1 687 . 1 1 174 174 TYR H H 1 7.522 0.013 . 1 . 3435 . . 159 TYR H . 25714 1 688 . 1 1 174 174 TYR C C 13 176.691 0.005 . 1 . 4377 . . 159 TYR C . 25714 1 689 . 1 1 174 174 TYR CA C 13 58.900 . . 1 . 4039 . . 159 TYR CA . 25714 1 690 . 1 1 174 174 TYR N N 15 118.527 0.587 . 1 . 3436 . . 159 TYR N . 25714 1 691 . 1 1 175 175 LEU CA C 13 57.924 . . 1 . 4116 . . 160 LEU CA . 25714 1 692 . 1 1 176 176 GLU H H 1 8.366 0.112 . 1 . 3596 . . 161 GLU H . 25714 1 693 . 1 1 176 176 GLU C C 13 177.034 0.002 . 1 . 4367 . . 161 GLU C . 25714 1 694 . 1 1 176 176 GLU CA C 13 57.105 0.135 . 1 . 4059 . . 161 GLU CA . 25714 1 695 . 1 1 176 176 GLU CB C 13 30.277 . . 1 . 4084 . . 161 GLU CB . 25714 1 696 . 1 1 176 176 GLU N N 15 109.984 0.278 . 1 . 3597 . . 161 GLU N . 25714 1 697 . 1 1 177 177 GLY H H 1 7.326 0.016 . 1 . 3147 . . 162 GLY H . 25714 1 698 . 1 1 177 177 GLY C C 13 173.332 0.003 . 1 . 4336 . . 162 GLY C . 25714 1 699 . 1 1 177 177 GLY CA C 13 45.543 0.007 . 1 . 3832 . . 162 GLY CA . 25714 1 700 . 1 1 177 177 GLY N N 15 108.081 0.057 . 1 . 3148 . . 162 GLY N . 25714 1 701 . 1 1 178 178 GLU H H 1 8.552 0.006 . 1 . 3324 . . 163 GLU H . 25714 1 702 . 1 1 178 178 GLU C C 13 177.298 0.009 . 1 . 4160 . . 163 GLU C . 25714 1 703 . 1 1 178 178 GLU CA C 13 60.590 0.093 . 1 . 3851 . . 163 GLU CA . 25714 1 704 . 1 1 178 178 GLU CB C 13 31.158 0.022 . 1 . 3852 . . 163 GLU CB . 25714 1 705 . 1 1 178 178 GLU N N 15 129.757 0.071 . 1 . 3325 . . 163 GLU N . 25714 1 706 . 1 1 179 179 CYS H H 1 8.930 0.107 . 1 . 3602 . . 164 CYS H . 25714 1 707 . 1 1 179 179 CYS C C 13 175.502 0.001 . 1 . 4312 . . 164 CYS C . 25714 1 708 . 1 1 179 179 CYS CA C 13 61.837 0.034 . 1 . 4028 . . 164 CYS CA . 25714 1 709 . 1 1 179 179 CYS CB C 13 41.730 0.09 . 1 . 4061 . . 164 CYS CB . 25714 1 710 . 1 1 179 179 CYS N N 15 118.147 0.201 . 1 . 3603 . . 164 CYS N . 25714 1 711 . 1 1 180 180 VAL H H 1 6.381 0.012 . 1 . 3459 . . 165 VAL H . 25714 1 712 . 1 1 180 180 VAL C C 13 178.028 0.008 . 1 . 4192 . . 165 VAL C . 25714 1 713 . 1 1 180 180 VAL CA C 13 65.473 0.055 . 1 . 3961 . . 165 VAL CA . 25714 1 714 . 1 1 180 180 VAL CB C 13 31.572 0.167 . 1 . 3962 . . 165 VAL CB . 25714 1 715 . 1 1 180 180 VAL N N 15 114.766 0.077 . 1 . 3460 . . 165 VAL N . 25714 1 716 . 1 1 181 181 GLU H H 1 8.347 0.016 . 1 . 3332 . . 166 GLU H . 25714 1 717 . 1 1 181 181 GLU C C 13 180.286 0.002 . 1 . 4320 . . 166 GLU C . 25714 1 718 . 1 1 181 181 GLU CA C 13 59.249 0.019 . 1 . 3956 . . 166 GLU CA . 25714 1 719 . 1 1 181 181 GLU CB C 13 29.248 0.08 . 1 . 3957 . . 166 GLU CB . 25714 1 720 . 1 1 181 181 GLU N N 15 120.496 0.081 . 1 . 3333 . . 166 GLU N . 25714 1 721 . 1 1 182 182 TRP H H 1 9.054 0.061 . 1 . 3582 . . 167 TRP H . 25714 1 722 . 1 1 182 182 TRP C C 13 176.035 0.019 . 1 . 4145 . . 167 TRP C . 25714 1 723 . 1 1 182 182 TRP CA C 13 61.364 . . 1 . 4114 . . 167 TRP CA . 25714 1 724 . 1 1 182 182 TRP CB C 13 26.416 . . 1 . 4113 . . 167 TRP CB . 25714 1 725 . 1 1 182 182 TRP N N 15 120.619 0.08 . 1 . 3583 . . 167 TRP N . 25714 1 726 . 1 1 183 183 LEU H H 1 7.934 0.014 . 1 . 3358 . . 168 LEU H . 25714 1 727 . 1 1 183 183 LEU C C 13 178.569 0.024 . 1 . 4308 . . 168 LEU C . 25714 1 728 . 1 1 183 183 LEU CA C 13 58.870 0.094 . 1 . 3733 . . 168 LEU CA . 25714 1 729 . 1 1 183 183 LEU CB C 13 39.853 0.052 . 1 . 3734 . . 168 LEU CB . 25714 1 730 . 1 1 183 183 LEU N N 15 121.005 0.066 . 1 . 3359 . . 168 LEU N . 25714 1 731 . 1 1 184 184 ARG H H 1 8.094 0.011 . 1 . 3418 . . 169 ARG H . 25714 1 732 . 1 1 184 184 ARG C C 13 178.943 . . 1 . 4405 . . 169 ARG C . 25714 1 733 . 1 1 184 184 ARG CA C 13 60.035 0.039 . 1 . 3814 . . 169 ARG CA . 25714 1 734 . 1 1 184 184 ARG CB C 13 28.754 0.011 . 1 . 3732 . . 169 ARG CB . 25714 1 735 . 1 1 184 184 ARG N N 15 116.689 0.078 . 1 . 3419 . . 169 ARG N . 25714 1 736 . 1 1 185 185 ARG H H 1 7.309 0.019 . 1 . 3376 . . 170 ARG H . 25714 1 737 . 1 1 185 185 ARG C C 13 178.509 0.029 . 1 . 4137 . . 170 ARG C . 25714 1 738 . 1 1 185 185 ARG CA C 13 58.742 0.126 . 1 . 4066 . . 170 ARG CA . 25714 1 739 . 1 1 185 185 ARG CB C 13 28.838 0.024 . 1 . 3815 . . 170 ARG CB . 25714 1 740 . 1 1 185 185 ARG N N 15 122.168 0.051 . 1 . 3377 . . 170 ARG N . 25714 1 741 . 1 1 186 186 TYR H H 1 8.457 0.026 . 1 . 3502 . . 171 TYR H . 25714 1 742 . 1 1 186 186 TYR C C 13 178.464 0.009 . 1 . 4371 . . 171 TYR C . 25714 1 743 . 1 1 186 186 TYR CA C 13 57.191 . . 1 . 4057 . . 171 TYR CA . 25714 1 744 . 1 1 186 186 TYR CB C 13 35.786 . . 1 . 4063 . . 171 TYR CB . 25714 1 745 . 1 1 186 186 TYR N N 15 121.605 0.033 . 1 . 3503 . . 171 TYR N . 25714 1 746 . 1 1 187 187 LEU H H 1 8.435 0.018 . 1 . 3572 . . 172 LEU H . 25714 1 747 . 1 1 187 187 LEU C C 13 179.151 0.008 . 1 . 4370 . . 172 LEU C . 25714 1 748 . 1 1 187 187 LEU CA C 13 57.248 0.055 . 1 . 4418 . . 172 LEU CA . 25714 1 749 . 1 1 187 187 LEU CB C 13 40.672 0.046 . 1 . 4417 . . 172 LEU CB . 25714 1 750 . 1 1 187 187 LEU N N 15 117.279 0.057 . 1 . 3573 . . 172 LEU N . 25714 1 751 . 1 1 188 188 GLU H H 1 7.499 0.002 . 1 . 4239 . . 173 GLU H . 25714 1 752 . 1 1 188 188 GLU C C 13 179.698 0.004 . 1 . 4241 . . 173 GLU C . 25714 1 753 . 1 1 188 188 GLU CA C 13 58.085 . . 1 . 4415 . . 173 GLU CA . 25714 1 754 . 1 1 188 188 GLU CB C 13 28.517 . . 1 . 4416 . . 173 GLU CB . 25714 1 755 . 1 1 188 188 GLU N N 15 118.601 0.005 . 1 . 4240 . . 173 GLU N . 25714 1 756 . 1 1 189 189 ASN H H 1 8.763 0.003 . 1 . 4205 . . 174 ASN H . 25714 1 757 . 1 1 189 189 ASN C C 13 177.868 0.007 . 1 . 4206 . . 174 ASN C . 25714 1 758 . 1 1 189 189 ASN CA C 13 55.254 . . 1 . 4085 . . 174 ASN CA . 25714 1 759 . 1 1 189 189 ASN CB C 13 36.587 . . 1 . 4086 . . 174 ASN CB . 25714 1 760 . 1 1 189 189 ASN N N 15 121.192 0.113 . 1 . 4420 . . 174 ASN N . 25714 1 761 . 1 1 190 190 GLY H H 1 8.780 0.023 . 1 . 3159 . . 175 GLY H . 25714 1 762 . 1 1 190 190 GLY C C 13 175.085 0.018 . 1 . 4231 . . 175 GLY C . 25714 1 763 . 1 1 190 190 GLY CA C 13 44.660 0.054 . 1 . 3922 . . 175 GLY CA . 25714 1 764 . 1 1 190 190 GLY N N 15 108.837 0.085 . 1 . 3160 . . 175 GLY N . 25714 1 765 . 1 1 191 191 LYS H H 1 6.972 0.012 . 1 . 3378 . . 176 LYS H . 25714 1 766 . 1 1 191 191 LYS C C 13 177.534 0.002 . 1 . 4275 . . 176 LYS C . 25714 1 767 . 1 1 191 191 LYS CA C 13 60.917 . . 1 . 3921 . . 176 LYS CA . 25714 1 768 . 1 1 191 191 LYS CB C 13 31.718 0.082 . 1 . 3923 . . 176 LYS CB . 25714 1 769 . 1 1 191 191 LYS N N 15 122.871 0.05 . 1 . 3379 . . 176 LYS N . 25714 1 770 . 1 1 192 192 GLU H H 1 8.710 0.017 . 1 . 3246 . . 177 GLU H . 25714 1 771 . 1 1 192 192 GLU C C 13 176.468 0.011 . 1 . 4244 . . 177 GLU C . 25714 1 772 . 1 1 192 192 GLU CA C 13 58.922 . . 1 . 4087 . . 177 GLU CA . 25714 1 773 . 1 1 192 192 GLU CB C 13 28.899 0.06 . 1 . 4011 . . 177 GLU CB . 25714 1 774 . 1 1 192 192 GLU N N 15 116.883 2.636 . 1 . 3247 . . 177 GLU N . 25714 1 775 . 1 1 193 193 THR H H 1 7.661 0.012 . 1 . 3145 . . 178 THR H . 25714 1 776 . 1 1 193 193 THR C C 13 176.464 . . 1 . 4379 . . 178 THR C . 25714 1 777 . 1 1 193 193 THR CA C 13 61.880 0.031 . 1 . 4046 . . 178 THR CA . 25714 1 778 . 1 1 193 193 THR CB C 13 69.433 0.001 . 1 . 4047 . . 178 THR CB . 25714 1 779 . 1 1 193 193 THR N N 15 105.412 0.084 . 1 . 3146 . . 178 THR N . 25714 1 780 . 1 1 194 194 LEU H H 1 8.573 0.012 . 1 . 3330 . . 179 LEU H . 25714 1 781 . 1 1 194 194 LEU C C 13 179.464 0.003 . 1 . 4380 . . 179 LEU C . 25714 1 782 . 1 1 194 194 LEU CA C 13 55.936 6.301 . 1 . 3875 . . 179 LEU CA . 25714 1 783 . 1 1 194 194 LEU N N 15 120.515 0.055 . 1 . 3331 . . 179 LEU N . 25714 1 784 . 1 1 195 195 GLN H H 1 7.533 0.011 . 1 . 3466 . . 180 GLN H . 25714 1 785 . 1 1 195 195 GLN C C 13 174.120 0.005 . 1 . 4176 . . 180 GLN C . 25714 1 786 . 1 1 195 195 GLN CA C 13 55.256 . . 1 . 4088 . . 180 GLN CA . 25714 1 787 . 1 1 195 195 GLN CB C 13 28.210 0.013 . 1 . 4029 . . 180 GLN CB . 25714 1 788 . 1 1 195 195 GLN N N 15 113.425 0.081 . 1 . 3467 . . 180 GLN N . 25714 1 789 . 1 1 196 196 ARG H H 1 7.099 0.016 . 1 . 3447 . . 181 ARG H . 25714 1 790 . 1 1 196 196 ARG C C 13 174.322 0.001 . 1 . 4136 . . 181 ARG C . 25714 1 791 . 1 1 196 196 ARG CA C 13 54.782 0.03 . 1 . 3694 . . 181 ARG CA . 25714 1 792 . 1 1 196 196 ARG CB C 13 31.588 0.042 . 1 . 3696 . . 181 ARG CB . 25714 1 793 . 1 1 196 196 ARG N N 15 120.888 0.042 . 1 . 3448 . . 181 ARG N . 25714 1 794 . 1 1 197 197 ALA H H 1 8.639 0.01 . 1 . 3320 . . 182 ALA H . 25714 1 795 . 1 1 197 197 ALA C C 13 177.136 0.008 . 1 . 4262 . . 182 ALA C . 25714 1 796 . 1 1 197 197 ALA CA C 13 51.134 0.015 . 1 . 3695 . . 182 ALA CA . 25714 1 797 . 1 1 197 197 ALA CB C 13 19.130 0.079 . 1 . 3697 . . 182 ALA CB . 25714 1 798 . 1 1 197 197 ALA N N 15 128.461 0.039 . 1 . 3321 . . 182 ALA N . 25714 1 799 . 1 1 198 198 ASP H H 1 9.630 0.013 . 1 . 3210 . . 183 ASP H . 25714 1 800 . 1 1 198 198 ASP C C 13 173.866 . . 1 . 4263 . . 183 ASP C . 25714 1 801 . 1 1 198 198 ASP CB C 13 42.277 . . 1 . 3837 . . 183 ASP CB . 25714 1 802 . 1 1 198 198 ASP N N 15 126.061 0.056 . 1 . 3211 . . 183 ASP N . 25714 1 803 . 1 1 200 200 PRO C C 13 176.712 0.007 . 1 . 4332 . . 185 PRO C . 25714 1 804 . 1 1 200 200 PRO CA C 13 61.877 0.011 . 1 . 3835 . . 185 PRO CA . 25714 1 805 . 1 1 200 200 PRO CB C 13 31.058 0.039 . 1 . 3838 . . 185 PRO CB . 25714 1 806 . 1 1 201 201 LYS H H 1 9.662 0.007 . 1 . 3212 . . 186 LYS H . 25714 1 807 . 1 1 201 201 LYS C C 13 178.178 0.02 . 1 . 4331 . . 186 LYS C . 25714 1 808 . 1 1 201 201 LYS CA C 13 56.383 0.012 . 1 . 3836 . . 186 LYS CA . 25714 1 809 . 1 1 201 201 LYS CB C 13 31.221 0.032 . 1 . 4048 . . 186 LYS CB . 25714 1 810 . 1 1 201 201 LYS N N 15 125.754 0.038 . 1 . 3213 . . 186 LYS N . 25714 1 811 . 1 1 202 202 THR H H 1 8.464 0.009 . 1 . 3248 . . 187 THR H . 25714 1 812 . 1 1 202 202 THR C C 13 174.578 0.011 . 1 . 4366 . . 187 THR C . 25714 1 813 . 1 1 202 202 THR CA C 13 59.144 0.083 . 1 . 3764 . . 187 THR CA . 25714 1 814 . 1 1 202 202 THR CB C 13 71.568 0.098 . 1 . 3763 . . 187 THR CB . 25714 1 815 . 1 1 202 202 THR N N 15 116.897 0.169 . 1 . 3249 . . 187 THR N . 25714 1 816 . 1 1 203 203 HIS H H 1 8.233 0.01 . 1 . 3256 . . 188 HIS H . 25714 1 817 . 1 1 203 203 HIS C C 13 172.779 0.005 . 1 . 4139 . . 188 HIS C . 25714 1 818 . 1 1 203 203 HIS CA C 13 56.349 0.024 . 1 . 3765 . . 188 HIS CA . 25714 1 819 . 1 1 203 203 HIS CB C 13 31.898 0.033 . 1 . 3766 . . 188 HIS CB . 25714 1 820 . 1 1 203 203 HIS N N 15 116.677 0.044 . 1 . 3257 . . 188 HIS N . 25714 1 821 . 1 1 204 204 VAL H H 1 8.771 0.015 . 1 . 3474 . . 189 VAL H . 25714 1 822 . 1 1 204 204 VAL C C 13 176.536 0.007 . 1 . 4181 . . 189 VAL C . 25714 1 823 . 1 1 204 204 VAL CA C 13 60.569 0.024 . 1 . 4049 . . 189 VAL CA . 25714 1 824 . 1 1 204 204 VAL CB C 13 34.481 0.017 . 1 . 3775 . . 189 VAL CB . 25714 1 825 . 1 1 204 204 VAL N N 15 121.347 0.057 . 1 . 3475 . . 189 VAL N . 25714 1 826 . 1 1 205 205 THR H H 1 9.890 0.005 . 1 . 3194 . . 190 THR H . 25714 1 827 . 1 1 205 205 THR C C 13 171.955 0.024 . 1 . 4182 . . 190 THR C . 25714 1 828 . 1 1 205 205 THR CA C 13 60.464 0.02 . 1 . 3774 . . 190 THR CA . 25714 1 829 . 1 1 205 205 THR CB C 13 69.972 0.086 . 1 . 3773 . . 190 THR CB . 25714 1 830 . 1 1 205 205 THR N N 15 119.541 0.04 . 1 . 3195 . . 190 THR N . 25714 1 831 . 1 1 206 206 HIS H H 1 7.953 0.02 . 1 . 3366 . . 191 HIS H . 25714 1 832 . 1 1 206 206 HIS C C 13 174.535 0.013 . 1 . 4342 . . 191 HIS C . 25714 1 833 . 1 1 206 206 HIS CA C 13 55.228 0.07 . 1 . 3917 . . 191 HIS CA . 25714 1 834 . 1 1 206 206 HIS CB C 13 33.472 0.039 . 1 . 3755 . . 191 HIS CB . 25714 1 835 . 1 1 206 206 HIS N N 15 122.788 0.048 . 1 . 3367 . . 191 HIS N . 25714 1 836 . 1 1 207 207 HIS H H 1 8.410 0.009 . 1 . 3402 . . 192 HIS H . 25714 1 837 . 1 1 207 207 HIS C C 13 172.841 . . 1 . 4365 . . 192 HIS C . 25714 1 838 . 1 1 207 207 HIS CA C 13 51.891 . . 1 . 3753 . . 192 HIS CA . 25714 1 839 . 1 1 207 207 HIS CB C 13 29.426 . . 1 . 3756 . . 192 HIS CB . 25714 1 840 . 1 1 207 207 HIS N N 15 123.829 0.031 . 1 . 3403 . . 192 HIS N . 25714 1 841 . 1 1 208 208 PRO C C 13 177.054 . . 1 . 4394 . . 193 PRO C . 25714 1 842 . 1 1 208 208 PRO CA C 13 63.939 0.04 . 1 . 4032 . . 193 PRO CA . 25714 1 843 . 1 1 208 208 PRO CB C 13 31.524 0.005 . 1 . 4031 . . 193 PRO CB . 25714 1 844 . 1 1 209 209 ILE H H 1 8.587 0.006 . 1 . 3392 . . 194 ILE H . 25714 1 845 . 1 1 209 209 ILE C C 13 175.499 0.005 . 1 . 4261 . . 194 ILE C . 25714 1 846 . 1 1 209 209 ILE CA C 13 62.125 0.024 . 1 . 3880 . . 194 ILE CA . 25714 1 847 . 1 1 209 209 ILE CB C 13 39.450 0.01 . 1 . 4030 . . 194 ILE CB . 25714 1 848 . 1 1 209 209 ILE N N 15 123.773 0.132 . 1 . 3393 . . 194 ILE N . 25714 1 849 . 1 1 210 210 SER H H 1 8.359 0.012 . 1 . 3250 . . 195 SER H . 25714 1 850 . 1 1 210 210 SER C C 13 174.036 . . 1 . 4327 . . 195 SER C . 25714 1 851 . 1 1 210 210 SER CA C 13 56.472 . . 1 . 3994 . . 195 SER CA . 25714 1 852 . 1 1 210 210 SER CB C 13 64.840 . . 1 . 3993 . . 195 SER CB . 25714 1 853 . 1 1 210 210 SER N N 15 116.306 0.062 . 1 . 3251 . . 195 SER N . 25714 1 854 . 1 1 211 211 ASP C C 13 176.663 . . 1 . 4388 . . 196 ASP C . 25714 1 855 . 1 1 211 211 ASP CB C 13 39.928 . . 1 . 4110 . . 196 ASP CB . 25714 1 856 . 1 1 212 212 HIS H H 1 8.240 0.014 . 1 . 3176 . . 197 HIS H . 25714 1 857 . 1 1 212 212 HIS C C 13 175.973 0.028 . 1 . 4121 . . 197 HIS C . 25714 1 858 . 1 1 212 212 HIS CA C 13 56.062 . . 1 . 4090 . . 197 HIS CA . 25714 1 859 . 1 1 212 212 HIS CB C 13 31.431 0.036 . 1 . 3788 . . 197 HIS CB . 25714 1 860 . 1 1 212 212 HIS N N 15 114.226 0.059 . 1 . 3177 . . 197 HIS N . 25714 1 861 . 1 1 213 213 GLU H H 1 7.474 0.012 . 1 . 3441 . . 198 GLU H . 25714 1 862 . 1 1 213 213 GLU C C 13 174.577 0.005 . 1 . 4122 . . 198 GLU C . 25714 1 863 . 1 1 213 213 GLU CA C 13 55.325 0.069 . 1 . 3720 . . 198 GLU CA . 25714 1 864 . 1 1 213 213 GLU CB C 13 34.526 0.022 . 1 . 3787 . . 198 GLU CB . 25714 1 865 . 1 1 213 213 GLU N N 15 120.863 0.078 . 1 . 3442 . . 198 GLU N . 25714 1 866 . 1 1 214 214 ALA H H 1 9.045 0.014 . 1 . 3292 . . 199 ALA H . 25714 1 867 . 1 1 214 214 ALA C C 13 174.453 . . 1 . 4246 . . 199 ALA C . 25714 1 868 . 1 1 214 214 ALA CA C 13 50.681 0.034 . 1 . 3722 . . 199 ALA CA . 25714 1 869 . 1 1 214 214 ALA CB C 13 21.979 0.013 . 1 . 3725 . . 199 ALA CB . 25714 1 870 . 1 1 214 214 ALA N N 15 123.713 0.073 . 1 . 3293 . . 199 ALA N . 25714 1 871 . 1 1 215 215 THR H H 1 8.548 0.016 . 1 . 3262 . . 200 THR H . 25714 1 872 . 1 1 215 215 THR C C 13 174.582 0.082 . 1 . 4251 . . 200 THR C . 25714 1 873 . 1 1 215 215 THR CA C 13 61.876 0.016 . 1 . 3901 . . 200 THR CA . 25714 1 874 . 1 1 215 215 THR CB C 13 69.587 0.078 . 1 . 3846 . . 200 THR CB . 25714 1 875 . 1 1 215 215 THR N N 15 118.695 0.042 . 1 . 3263 . . 200 THR N . 25714 1 876 . 1 1 216 216 LEU H H 1 8.771 0.009 . 1 . 3310 . . 201 LEU H . 25714 1 877 . 1 1 216 216 LEU C C 13 175.371 0.004 . 1 . 4294 . . 201 LEU C . 25714 1 878 . 1 1 216 216 LEU CB C 13 43.100 0.016 . 1 . 4027 . . 201 LEU CB . 25714 1 879 . 1 1 216 216 LEU N N 15 127.025 0.062 . 1 . 3311 . . 201 LEU N . 25714 1 880 . 1 1 217 217 ARG H H 1 9.205 0.006 . 1 . 3286 . . 202 ARG H . 25714 1 881 . 1 1 217 217 ARG C C 13 173.020 0.014 . 1 . 4227 . . 202 ARG C . 25714 1 882 . 1 1 217 217 ARG CA C 13 55.068 0.014 . 1 . 3746 . . 202 ARG CA . 25714 1 883 . 1 1 217 217 ARG CB C 13 31.646 0.036 . 1 . 3809 . . 202 ARG CB . 25714 1 884 . 1 1 217 217 ARG N N 15 124.414 0.04 . 1 . 3287 . . 202 ARG N . 25714 1 885 . 1 1 218 218 CYS H H 1 9.913 0.012 . 1 . 3218 . . 203 CYS H . 25714 1 886 . 1 1 218 218 CYS C C 13 172.450 0.005 . 1 . 4228 . . 203 CYS C . 25714 1 887 . 1 1 218 218 CYS CA C 13 53.573 . . 1 . 3807 . . 203 CYS CA . 25714 1 888 . 1 1 218 218 CYS CB C 13 40.967 0.008 . 1 . 3808 . . 203 CYS CB . 25714 1 889 . 1 1 218 218 CYS N N 15 128.810 0.039 . 1 . 3219 . . 203 CYS N . 25714 1 890 . 1 1 219 219 TRP H H 1 9.429 0.008 . 1 . 3216 . . 204 TRP H . 25714 1 891 . 1 1 219 219 TRP C C 13 175.137 0.723 . 1 . 4347 . . 204 TRP C . 25714 1 892 . 1 1 219 219 TRP CA C 13 57.209 . . 1 . 4091 . . 204 TRP CA . 25714 1 893 . 1 1 219 219 TRP CB C 13 31.413 0.042 . 1 . 3650 . . 204 TRP CB . 25714 1 894 . 1 1 219 219 TRP N N 15 127.089 0.079 . 1 . 3217 . . 204 TRP N . 25714 1 895 . 1 1 220 220 ALA H H 1 9.025 0.012 . 1 . 3486 . . 205 ALA H . 25714 1 896 . 1 1 220 220 ALA C C 13 175.462 0.007 . 1 . 4250 . . 205 ALA C . 25714 1 897 . 1 1 220 220 ALA CA C 13 50.749 0.028 . 1 . 3658 . . 205 ALA CA . 25714 1 898 . 1 1 220 220 ALA CB C 13 21.834 0.058 . 1 . 3661 . . 205 ALA CB . 25714 1 899 . 1 1 220 220 ALA N N 15 121.060 0.045 . 1 . 3487 . . 205 ALA N . 25714 1 900 . 1 1 221 221 LEU H H 1 9.336 0.009 . 1 . 3300 . . 206 LEU H . 25714 1 901 . 1 1 221 221 LEU C C 13 177.890 0.017 . 1 . 4249 . . 206 LEU C . 25714 1 902 . 1 1 221 221 LEU CA C 13 54.002 0.068 . 1 . 3657 . . 206 LEU CA . 25714 1 903 . 1 1 221 221 LEU CB C 13 45.418 0.005 . 1 . 3659 . . 206 LEU CB . 25714 1 904 . 1 1 221 221 LEU N N 15 122.414 0.038 . 1 . 3301 . . 206 LEU N . 25714 1 905 . 1 1 222 222 GLY H H 1 8.643 0.011 . 1 . 3169 . . 207 GLY H . 25714 1 906 . 1 1 222 222 GLY C C 13 174.149 0.002 . 1 . 4279 . . 207 GLY C . 25714 1 907 . 1 1 222 222 GLY CA C 13 46.858 0.027 . 1 . 3868 . . 207 GLY CA . 25714 1 908 . 1 1 222 222 GLY N N 15 111.478 0.052 . 1 . 3170 . . 207 GLY N . 25714 1 909 . 1 1 223 223 PHE H H 1 7.547 0.01 . 1 . 3470 . . 208 PHE H . 25714 1 910 . 1 1 223 223 PHE C C 13 174.986 0.025 . 1 . 4330 . . 208 PHE C . 25714 1 911 . 1 1 223 223 PHE CA C 13 53.864 0.057 . 1 . 3867 . . 208 PHE CA . 25714 1 912 . 1 1 223 223 PHE CB C 13 40.650 0.033 . 1 . 3869 . . 208 PHE CB . 25714 1 913 . 1 1 223 223 PHE N N 15 112.795 0.082 . 1 . 3471 . . 208 PHE N . 25714 1 914 . 1 1 224 224 TYR H H 1 9.104 0.009 . 1 . 3484 . . 209 TYR H . 25714 1 915 . 1 1 224 224 TYR CA C 13 58.181 . . 1 . 3943 . . 209 TYR CA . 25714 1 916 . 1 1 224 224 TYR CB C 13 41.980 . . 1 . 3944 . . 209 TYR CB . 25714 1 917 . 1 1 224 224 TYR N N 15 120.823 0.053 . 1 . 3485 . . 209 TYR N . 25714 1 918 . 1 1 225 225 PRO C C 13 175.212 . . 1 . 4384 . . 210 PRO C . 25714 1 919 . 1 1 225 225 PRO CA C 13 62.213 0.014 . 1 . 3662 . . 210 PRO CA . 25714 1 920 . 1 1 225 225 PRO CB C 13 33.831 0.063 . 1 . 3666 . . 210 PRO CB . 25714 1 921 . 1 1 226 226 ALA H H 1 8.254 0.016 . 1 . 3350 . . 211 ALA H . 25714 1 922 . 1 1 226 226 ALA C C 13 175.222 . . 1 . 4117 . . 211 ALA C . 25714 1 923 . 1 1 226 226 ALA CA C 13 54.609 0.036 . 1 . 3664 . . 211 ALA CA . 25714 1 924 . 1 1 226 226 ALA CB C 13 16.706 0.066 . 1 . 3668 . . 211 ALA CB . 25714 1 925 . 1 1 226 226 ALA N N 15 119.796 0.09 . 1 . 3351 . . 211 ALA N . 25714 1 926 . 1 1 227 227 GLU H H 1 7.406 0.007 . 1 . 3472 . . 212 GLU H . 25714 1 927 . 1 1 227 227 GLU C C 13 173.979 . . 1 . 4395 . . 212 GLU C . 25714 1 928 . 1 1 227 227 GLU CA C 13 57.497 0.073 . 1 . 3736 . . 212 GLU CA . 25714 1 929 . 1 1 227 227 GLU CB C 13 28.510 0.012 . 1 . 3738 . . 212 GLU CB . 25714 1 930 . 1 1 227 227 GLU N N 15 119.236 0.049 . 1 . 3473 . . 212 GLU N . 25714 1 931 . 1 1 228 228 ILE H H 1 7.518 0.01 . 1 . 3380 . . 213 ILE H . 25714 1 932 . 1 1 228 228 ILE C C 13 172.909 0.009 . 1 . 4280 . . 213 ILE C . 25714 1 933 . 1 1 228 228 ILE CA C 13 60.594 0.004 . 1 . 3735 . . 213 ILE CA . 25714 1 934 . 1 1 228 228 ILE CB C 13 39.346 0.02 . 1 . 3737 . . 213 ILE CB . 25714 1 935 . 1 1 228 228 ILE N N 15 124.786 0.04 . 1 . 3381 . . 213 ILE N . 25714 1 936 . 1 1 229 229 THR H H 1 8.254 0.01 . 1 . 3338 . . 214 THR H . 25714 1 937 . 1 1 229 229 THR C C 13 172.499 0.012 . 1 . 4120 . . 214 THR C . 25714 1 938 . 1 1 229 229 THR CA C 13 62.077 0.051 . 1 . 3769 . . 214 THR CA . 25714 1 939 . 1 1 229 229 THR CB C 13 70.632 0.083 . 1 . 4015 . . 214 THR CB . 25714 1 940 . 1 1 229 229 THR N N 15 120.877 0.037 . 1 . 3339 . . 214 THR N . 25714 1 941 . 1 1 230 230 LEU H H 1 8.670 0.013 . 1 . 3318 . . 215 LEU H . 25714 1 942 . 1 1 230 230 LEU C C 13 175.617 0.008 . 1 . 4119 . . 215 LEU C . 25714 1 943 . 1 1 230 230 LEU CA C 13 53.722 0.052 . 1 . 3954 . . 215 LEU CA . 25714 1 944 . 1 1 230 230 LEU CB C 13 44.923 0.059 . 1 . 3955 . . 215 LEU CB . 25714 1 945 . 1 1 230 230 LEU N N 15 128.641 0.1 . 1 . 3319 . . 215 LEU N . 25714 1 946 . 1 1 231 231 THR H H 1 8.638 0.011 . 1 . 3242 . . 216 THR H . 25714 1 947 . 1 1 231 231 THR C C 13 173.289 0.014 . 1 . 4295 . . 216 THR C . 25714 1 948 . 1 1 231 231 THR CA C 13 60.288 0.06 . 1 . 3888 . . 216 THR CA . 25714 1 949 . 1 1 231 231 THR CB C 13 71.874 0.075 . 1 . 3953 . . 216 THR CB . 25714 1 950 . 1 1 231 231 THR N N 15 116.021 0.041 . 1 . 3243 . . 216 THR N . 25714 1 951 . 1 1 232 232 TRP H H 1 9.126 0.007 . 1 . 3298 . . 217 TRP H . 25714 1 952 . 1 1 232 232 TRP C C 13 176.128 0.009 . 1 . 4208 . . 217 TRP C . 25714 1 953 . 1 1 232 232 TRP CA C 13 56.722 0.01 . 1 . 3889 . . 217 TRP CA . 25714 1 954 . 1 1 232 232 TRP CB C 13 32.013 0.033 . 1 . 3890 . . 217 TRP CB . 25714 1 955 . 1 1 232 232 TRP N N 15 122.974 0.046 . 1 . 3299 . . 217 TRP N . 25714 1 956 . 1 1 233 233 GLN H H 1 9.983 0.006 . 1 . 3192 . . 218 GLN H . 25714 1 957 . 1 1 233 233 GLN C C 13 175.120 0.003 . 1 . 4209 . . 218 GLN C . 25714 1 958 . 1 1 233 233 GLN CA C 13 53.962 0.033 . 1 . 3972 . . 218 GLN CA . 25714 1 959 . 1 1 233 233 GLN CB C 13 31.712 0.059 . 1 . 3731 . . 218 GLN CB . 25714 1 960 . 1 1 233 233 GLN N N 15 119.881 0.044 . 1 . 3193 . . 218 GLN N . 25714 1 961 . 1 1 234 234 ARG H H 1 8.645 0.011 . 1 . 3278 . . 219 ARG H . 25714 1 962 . 1 1 234 234 ARG C C 13 176.620 0.016 . 1 . 4146 . . 219 ARG C . 25714 1 963 . 1 1 234 234 ARG CA C 13 54.364 0.095 . 1 . 3730 . . 219 ARG CA . 25714 1 964 . 1 1 234 234 ARG CB C 13 31.683 0.031 . 1 . 3927 . . 219 ARG CB . 25714 1 965 . 1 1 234 234 ARG N N 15 121.626 0.069 . 1 . 3279 . . 219 ARG N . 25714 1 966 . 1 1 235 235 ASP H H 1 9.366 0.005 . 1 . 3228 . . 220 ASP H . 25714 1 967 . 1 1 235 235 ASP C C 13 176.260 0.008 . 1 . 4147 . . 220 ASP C . 25714 1 968 . 1 1 235 235 ASP CA C 13 55.490 0.065 . 1 . 3925 . . 220 ASP CA . 25714 1 969 . 1 1 235 235 ASP CB C 13 39.431 0.012 . 1 . 3926 . . 220 ASP CB . 25714 1 970 . 1 1 235 235 ASP N N 15 129.716 0.042 . 1 . 3229 . . 220 ASP N . 25714 1 971 . 1 1 236 236 GLY H H 1 8.603 0.009 . 1 . 3141 . . 221 GLY H . 25714 1 972 . 1 1 236 236 GLY C C 13 173.735 0.014 . 1 . 4298 . . 221 GLY C . 25714 1 973 . 1 1 236 236 GLY CA C 13 45.299 0.013 . 1 . 3907 . . 221 GLY CA . 25714 1 974 . 1 1 236 236 GLY N N 15 104.021 0.095 . 1 . 3142 . . 221 GLY N . 25714 1 975 . 1 1 237 237 GLU H H 1 7.964 0.009 . 1 . 3356 . . 222 GLU H . 25714 1 976 . 1 1 237 237 GLU C C 13 177.229 . . 1 . 4356 . . 222 GLU C . 25714 1 977 . 1 1 237 237 GLU N N 15 120.211 0.054 . 1 . 3357 . . 222 GLU N . 25714 1 978 . 1 1 241 241 GLN C C 13 176.277 0.009 . 1 . 4131 . . 226 GLN C . 25714 1 979 . 1 1 241 241 GLN CA C 13 57.534 0.077 . 1 . 3680 . . 226 GLN CA . 25714 1 980 . 1 1 241 241 GLN CB C 13 28.061 0.07 . 1 . 3683 . . 226 GLN CB . 25714 1 981 . 1 1 242 242 ASP H H 1 8.020 0.016 . 1 . 3412 . . 227 ASP H . 25714 1 982 . 1 1 242 242 ASP C C 13 175.591 . . 1 . 4130 . . 227 ASP C . 25714 1 983 . 1 1 242 242 ASP CA C 13 54.418 0.043 . 1 . 3681 . . 227 ASP CA . 25714 1 984 . 1 1 242 242 ASP CB C 13 41.586 0.042 . 1 . 3682 . . 227 ASP CB . 25714 1 985 . 1 1 242 242 ASP N N 15 118.340 0.056 . 1 . 3413 . . 227 ASP N . 25714 1 986 . 1 1 243 243 THR H H 1 7.670 0.011 . 1 . 3427 . . 228 THR H . 25714 1 987 . 1 1 243 243 THR C C 13 173.960 0.006 . 1 . 4161 . . 228 THR C . 25714 1 988 . 1 1 243 243 THR CA C 13 62.439 0.039 . 1 . 3708 . . 228 THR CA . 25714 1 989 . 1 1 243 243 THR CB C 13 70.279 0.084 . 1 . 3707 . . 228 THR CB . 25714 1 990 . 1 1 243 243 THR N N 15 116.240 0.035 . 1 . 3428 . . 228 THR N . 25714 1 991 . 1 1 244 244 GLU H H 1 9.533 0.005 . 1 . 3230 . . 229 GLU H . 25714 1 992 . 1 1 244 244 GLU C C 13 174.595 0.002 . 1 . 4357 . . 229 GLU C . 25714 1 993 . 1 1 244 244 GLU CA C 13 55.228 0.038 . 1 . 3709 . . 229 GLU CA . 25714 1 994 . 1 1 244 244 GLU CB C 13 30.880 0.017 . 1 . 3710 . . 229 GLU CB . 25714 1 995 . 1 1 244 244 GLU N N 15 129.409 0.045 . 1 . 3231 . . 229 GLU N . 25714 1 996 . 1 1 245 245 LEU H H 1 8.793 0.004 . 1 . 3322 . . 230 LEU H . 25714 1 997 . 1 1 245 245 LEU C C 13 175.800 1.773 . 1 . 4225 . . 230 LEU C . 25714 1 998 . 1 1 245 245 LEU CA C 13 53.731 0.08 . 1 . 3713 . . 230 LEU CA . 25714 1 999 . 1 1 245 245 LEU CB C 13 44.360 0.054 . 1 . 3714 . . 230 LEU CB . 25714 1 1000 . 1 1 245 245 LEU N N 15 128.230 0.04 . 1 . 3323 . . 230 LEU N . 25714 1 1001 . 1 1 246 246 VAL H H 1 6.857 0.547 . 1 . 3453 . . 231 VAL H . 25714 1 1002 . 1 1 246 246 VAL C C 13 175.882 0.0 . 1 . 4138 . . 231 VAL C . 25714 1 1003 . 1 1 246 246 VAL CA C 13 59.057 0.06 . 1 . 3839 . . 231 VAL CA . 25714 1 1004 . 1 1 246 246 VAL CB C 13 31.928 0.056 . 1 . 3840 . . 231 VAL CB . 25714 1 1005 . 1 1 246 246 VAL N N 15 117.180 2.58 . 1 . 3454 . . 231 VAL N . 25714 1 1006 . 1 1 247 247 GLU H H 1 8.320 0.008 . 1 . 3400 . . 232 GLU H . 25714 1 1007 . 1 1 247 247 GLU C C 13 176.005 . . 1 . 4230 . . 232 GLU C . 25714 1 1008 . 1 1 247 247 GLU CA C 13 56.432 0.065 . 1 . 3819 . . 232 GLU CA . 25714 1 1009 . 1 1 247 247 GLU CB C 13 29.063 0.042 . 1 . 3821 . . 232 GLU CB . 25714 1 1010 . 1 1 247 247 GLU N N 15 124.198 0.042 . 1 . 3401 . . 232 GLU N . 25714 1 1011 . 1 1 248 248 THR H H 1 8.710 0.007 . 1 . 3524 . . 233 THR H . 25714 1 1012 . 1 1 248 248 THR C C 13 174.019 . . 1 . 4402 . . 233 THR C . 25714 1 1013 . 1 1 248 248 THR CA C 13 64.319 0.061 . 1 . 3818 . . 233 THR CA . 25714 1 1014 . 1 1 248 248 THR CB C 13 68.523 . . 1 . 3817 . . 233 THR CB . 25714 1 1015 . 1 1 248 248 THR N N 15 122.638 0.055 . 1 . 3525 . . 233 THR N . 25714 1 1016 . 1 1 249 249 ARG H H 1 8.975 0.006 . 1 . 3284 . . 234 ARG H . 25714 1 1017 . 1 1 249 249 ARG C C 13 172.664 . . 1 . 4361 . . 234 ARG C . 25714 1 1018 . 1 1 249 249 ARG CA C 13 50.581 . . 1 . 3767 . . 234 ARG CA . 25714 1 1019 . 1 1 249 249 ARG CB C 13 29.985 . . 1 . 3768 . . 234 ARG CB . 25714 1 1020 . 1 1 249 249 ARG N N 15 125.100 0.042 . 1 . 3285 . . 234 ARG N . 25714 1 1021 . 1 1 250 250 PRO C C 13 177.603 0.015 . 1 . 4344 . . 235 PRO C . 25714 1 1022 . 1 1 250 250 PRO CA C 13 61.212 . . 1 . 4092 . . 235 PRO CA . 25714 1 1023 . 1 1 250 250 PRO CB C 13 31.046 0.039 . 1 . 3996 . . 235 PRO CB . 25714 1 1024 . 1 1 251 251 ALA H H 1 9.032 0.01 . 1 . 3282 . . 236 ALA H . 25714 1 1025 . 1 1 251 251 ALA C C 13 178.277 0.003 . 1 . 4203 . . 236 ALA C . 25714 1 1026 . 1 1 251 251 ALA CA C 13 53.346 0.097 . 1 . 3995 . . 236 ALA CA . 25714 1 1027 . 1 1 251 251 ALA CB C 13 19.375 0.074 . 1 . 3997 . . 236 ALA CB . 25714 1 1028 . 1 1 251 251 ALA N N 15 125.764 0.036 . 1 . 3283 . . 236 ALA N . 25714 1 1029 . 1 1 252 252 GLY H H 1 8.616 0.008 . 1 . 3137 . . 237 GLY H . 25714 1 1030 . 1 1 252 252 GLY C C 13 172.645 0.011 . 1 . 4204 . . 237 GLY C . 25714 1 1031 . 1 1 252 252 GLY CA C 13 44.008 0.027 . 1 . 3828 . . 237 GLY CA . 25714 1 1032 . 1 1 252 252 GLY N N 15 106.347 0.063 . 1 . 3138 . . 237 GLY N . 25714 1 1033 . 1 1 253 253 ASP H H 1 7.466 0.015 . 1 . 3548 . . 238 ASP H . 25714 1 1034 . 1 1 253 253 ASP C C 13 175.566 0.033 . 1 . 4216 . . 238 ASP C . 25714 1 1035 . 1 1 253 253 ASP CA C 13 52.118 . . 1 . 3827 . . 238 ASP CA . 25714 1 1036 . 1 1 253 253 ASP CB C 13 39.920 0.032 . 1 . 3829 . . 238 ASP CB . 25714 1 1037 . 1 1 253 253 ASP N N 15 120.207 0.073 . 1 . 3549 . . 238 ASP N . 25714 1 1038 . 1 1 254 254 ARG H H 1 7.972 0.009 . 1 . 3588 . . 239 ARG H . 25714 1 1039 . 1 1 254 254 ARG C C 13 175.887 0.046 . 1 . 4215 . . 239 ARG C . 25714 1 1040 . 1 1 254 254 ARG CA C 13 59.052 . . 1 . 4093 . . 239 ARG CA . 25714 1 1041 . 1 1 254 254 ARG CB C 13 28.910 . . 1 . 4094 . . 239 ARG CB . 25714 1 1042 . 1 1 254 254 ARG N N 15 116.523 0.088 . 1 . 3589 . . 239 ARG N . 25714 1 1043 . 1 1 255 255 THR H H 1 7.761 0.012 . 1 . 3151 . . 240 THR H . 25714 1 1044 . 1 1 255 255 THR CA C 13 61.080 . . 1 . 3900 . . 240 THR CA . 25714 1 1045 . 1 1 255 255 THR CB C 13 71.713 . . 1 . 3899 . . 240 THR CB . 25714 1 1046 . 1 1 255 255 THR N N 15 108.882 0.087 . 1 . 3152 . . 240 THR N . 25714 1 1047 . 1 1 256 256 PHE H H 1 8.751 0.007 . 1 . 3328 . . 241 PHE H . 25714 1 1048 . 1 1 256 256 PHE C C 13 172.432 0.014 . 1 . 4134 . . 241 PHE C . 25714 1 1049 . 1 1 256 256 PHE CA C 13 57.293 . . 1 . 4095 . . 241 PHE CA . 25714 1 1050 . 1 1 256 256 PHE CB C 13 43.239 0.063 . 1 . 3974 . . 241 PHE CB . 25714 1 1051 . 1 1 256 256 PHE N N 15 120.008 0.042 . 1 . 3329 . . 241 PHE N . 25714 1 1052 . 1 1 257 257 GLN H H 1 8.703 0.012 . 1 . 3167 . . 242 GLN H . 25714 1 1053 . 1 1 257 257 GLN C C 13 175.841 0.007 . 1 . 4133 . . 242 GLN C . 25714 1 1054 . 1 1 257 257 GLN CA C 13 53.002 0.006 . 1 . 3973 . . 242 GLN CA . 25714 1 1055 . 1 1 257 257 GLN N N 15 112.228 0.057 . 1 . 3168 . . 242 GLN N . 25714 1 1056 . 1 1 258 258 LYS H H 1 9.663 0.008 . 1 . 3200 . . 243 LYS H . 25714 1 1057 . 1 1 258 258 LYS C C 13 172.338 0.007 . 1 . 4132 . . 243 LYS C . 25714 1 1058 . 1 1 258 258 LYS CA C 13 57.302 0.08 . 1 . 3883 . . 243 LYS CA . 25714 1 1059 . 1 1 258 258 LYS CB C 13 38.056 0.012 . 1 . 3884 . . 243 LYS CB . 25714 1 1060 . 1 1 258 258 LYS N N 15 120.964 0.05 . 1 . 3201 . . 243 LYS N . 25714 1 1061 . 1 1 259 259 TRP H H 1 6.312 0.011 . 1 . 3457 . . 244 TRP H . 25714 1 1062 . 1 1 259 259 TRP C C 13 174.301 0.007 . 1 . 4185 . . 244 TRP C . 25714 1 1063 . 1 1 259 259 TRP CA C 13 54.942 0.071 . 1 . 3939 . . 244 TRP CA . 25714 1 1064 . 1 1 259 259 TRP CB C 13 33.346 0.056 . 1 . 3941 . . 244 TRP CB . 25714 1 1065 . 1 1 259 259 TRP N N 15 116.624 0.028 . 1 . 3458 . . 244 TRP N . 25714 1 1066 . 1 1 260 260 ALA H H 1 8.785 0.006 . 1 . 3268 . . 245 ALA H . 25714 1 1067 . 1 1 260 260 ALA C C 13 177.777 0.021 . 1 . 4269 . . 245 ALA C . 25714 1 1068 . 1 1 260 260 ALA CA C 13 50.482 0.005 . 1 . 3940 . . 245 ALA CA . 25714 1 1069 . 1 1 260 260 ALA CB C 13 23.100 0.056 . 1 . 3942 . . 245 ALA CB . 25714 1 1070 . 1 1 260 260 ALA N N 15 119.520 0.059 . 1 . 3269 . . 245 ALA N . 25714 1 1071 . 1 1 261 261 ALA H H 1 10.777 0.009 . 1 . 3222 . . 246 ALA H . 25714 1 1072 . 1 1 261 261 ALA C C 13 174.946 0.011 . 1 . 4270 . . 246 ALA C . 25714 1 1073 . 1 1 261 261 ALA CA C 13 50.957 0.073 . 1 . 3825 . . 246 ALA CA . 25714 1 1074 . 1 1 261 261 ALA CB C 13 23.785 0.022 . 1 . 3826 . . 246 ALA CB . 25714 1 1075 . 1 1 261 261 ALA N N 15 131.744 0.041 . 1 . 3223 . . 246 ALA N . 25714 1 1076 . 1 1 262 262 VAL H H 1 8.367 0.016 . 1 . 3252 . . 247 VAL H . 25714 1 1077 . 1 1 262 262 VAL C C 13 172.722 0.007 . 1 . 4325 . . 247 VAL C . 25714 1 1078 . 1 1 262 262 VAL CA C 13 59.218 . . 1 . 3824 . . 247 VAL CA . 25714 1 1079 . 1 1 262 262 VAL CB C 13 34.93 . . 1 . 3822 . . 247 VAL CB . 25714 1 1080 . 1 1 262 262 VAL N N 15 117.848 0.09 . 1 . 3253 . . 247 VAL N . 25714 1 1081 . 1 1 263 263 VAL H H 1 8.184 0.009 . 1 . 3388 . . 248 VAL H . 25714 1 1082 . 1 1 263 263 VAL C C 13 176.144 0.008 . 1 . 4234 . . 248 VAL C . 25714 1 1083 . 1 1 263 263 VAL CA C 13 61.927 0.059 . 1 . 3915 . . 248 VAL CA . 25714 1 1084 . 1 1 263 263 VAL CB C 13 31.032 0.013 . 1 . 3916 . . 248 VAL CB . 25714 1 1085 . 1 1 263 263 VAL N N 15 126.037 0.037 . 1 . 3389 . . 248 VAL N . 25714 1 1086 . 1 1 264 264 VAL H H 1 9.238 0.01 . 1 . 3288 . . 249 VAL H . 25714 1 1087 . 1 1 264 264 VAL C C 13 172.553 . . 1 . 4235 . . 249 VAL C . 25714 1 1088 . 1 1 264 264 VAL CA C 13 61.951 . . 1 . 3745 . . 249 VAL CA . 25714 1 1089 . 1 1 264 264 VAL CB C 13 31.022 . . 1 . 3747 . . 249 VAL CB . 25714 1 1090 . 1 1 264 264 VAL N N 15 124.183 0.078 . 1 . 3289 . . 249 VAL N . 25714 1 1091 . 1 1 265 265 PRO C C 13 177.827 0.015 . 1 . 4195 . . 250 PRO C . 25714 1 1092 . 1 1 265 265 PRO CA C 13 61.224 0.054 . 1 . 3904 . . 250 PRO CA . 25714 1 1093 . 1 1 265 265 PRO CB C 13 31.076 0.016 . 1 . 3906 . . 250 PRO CB . 25714 1 1094 . 1 1 266 266 SER H H 1 8.097 0.014 . 1 . 3352 . . 251 SER H . 25714 1 1095 . 1 1 266 266 SER C C 13 176.351 0.021 . 1 . 4193 . . 251 SER C . 25714 1 1096 . 1 1 266 266 SER CA C 13 59.530 0.088 . 1 . 3905 . . 251 SER CA . 25714 1 1097 . 1 1 266 266 SER CB C 13 62.431 0.076 . 1 . 3903 . . 251 SER CB . 25714 1 1098 . 1 1 266 266 SER N N 15 120.362 0.084 . 1 . 3353 . . 251 SER N . 25714 1 1099 . 1 1 267 267 GLY H H 1 9.580 0.013 . 1 . 3186 . . 252 GLY H . 25714 1 1100 . 1 1 267 267 GLY C C 13 175.781 0.009 . 1 . 4194 . . 252 GLY C . 25714 1 1101 . 1 1 267 267 GLY CA C 13 45.206 0.014 . 1 . 3665 . . 252 GLY CA . 25714 1 1102 . 1 1 267 267 GLY N N 15 117.828 0.034 . 1 . 3187 . . 252 GLY N . 25714 1 1103 . 1 1 268 268 GLU H H 1 8.217 0.01 . 1 . 3346 . . 253 GLU H . 25714 1 1104 . 1 1 268 268 GLU C C 13 177.594 0.002 . 1 . 4229 . . 253 GLU C . 25714 1 1105 . 1 1 268 268 GLU CA C 13 55.752 . . 1 . 3663 . . 253 GLU CA . 25714 1 1106 . 1 1 268 268 GLU CB C 13 29.219 . . 1 . 3667 . . 253 GLU CB . 25714 1 1107 . 1 1 268 268 GLU N N 15 119.938 0.037 . 1 . 3347 . . 253 GLU N . 25714 1 1108 . 1 1 269 269 GLU H H 1 10.444 0.013 . 1 . 3208 . . 254 GLU H . 25714 1 1109 . 1 1 269 269 GLU C C 13 179.086 0.013 . 1 . 4255 . . 254 GLU C . 25714 1 1110 . 1 1 269 269 GLU CA C 13 62.245 0.003 . 1 . 3861 . . 254 GLU CA . 25714 1 1111 . 1 1 269 269 GLU CB C 13 29.217 . . 1 . 4096 . . 254 GLU CB . 25714 1 1112 . 1 1 269 269 GLU N N 15 121.371 0.056 . 1 . 3209 . . 254 GLU N . 25714 1 1113 . 1 1 270 270 GLN H H 1 9.076 0.008 . 1 . 3163 . . 255 GLN H . 25714 1 1114 . 1 1 270 270 GLN C C 13 177.156 0.005 . 1 . 4337 . . 255 GLN C . 25714 1 1115 . 1 1 270 270 GLN CA C 13 57.629 0.072 . 1 . 3862 . . 255 GLN CA . 25714 1 1116 . 1 1 270 270 GLN CB C 13 27.138 0.05 . 1 . 3863 . . 255 GLN CB . 25714 1 1117 . 1 1 270 270 GLN N N 15 114.634 0.055 . 1 . 3164 . . 255 GLN N . 25714 1 1118 . 1 1 271 271 ARG H H 1 8.344 0.013 . 1 . 3272 . . 256 ARG H . 25714 1 1119 . 1 1 271 271 ARG C C 13 176.362 0.034 . 1 . 4274 . . 256 ARG C . 25714 1 1120 . 1 1 271 271 ARG CA C 13 56.884 0.051 . 1 . 3870 . . 256 ARG CA . 25714 1 1121 . 1 1 271 271 ARG CB C 13 29.982 0.076 . 1 . 3871 . . 256 ARG CB . 25714 1 1122 . 1 1 271 271 ARG N N 15 118.721 0.04 . 1 . 3273 . . 256 ARG N . 25714 1 1123 . 1 1 272 272 TYR H H 1 8.071 0.011 . 1 . 3354 . . 257 TYR H . 25714 1 1124 . 1 1 272 272 TYR CA C 13 57.434 0.088 . 1 . 3848 . . 257 TYR CA . 25714 1 1125 . 1 1 272 272 TYR CB C 13 39.635 0.013 . 1 . 3772 . . 257 TYR CB . 25714 1 1126 . 1 1 272 272 TYR N N 15 120.795 0.085 . 1 . 3355 . . 257 TYR N . 25714 1 1127 . 1 1 273 273 THR H H 1 9.438 0.008 . 1 . 3165 . . 258 THR H . 25714 1 1128 . 1 1 273 273 THR C C 13 172.368 0.027 . 1 . 4135 . . 258 THR C . 25714 1 1129 . 1 1 273 273 THR CA C 13 59.129 0.087 . 1 . 3771 . . 258 THR CA . 25714 1 1130 . 1 1 273 273 THR CB C 13 70.976 0.049 . 1 . 3770 . . 258 THR CB . 25714 1 1131 . 1 1 273 273 THR N N 15 113.872 0.04 . 1 . 3166 . . 258 THR N . 25714 1 1132 . 1 1 274 274 CYS H H 1 9.204 0.011 . 1 . 3532 . . 259 CYS H . 25714 1 1133 . 1 1 274 274 CYS CA C 13 51.778 . . 1 . 3975 . . 259 CYS CA . 25714 1 1134 . 1 1 274 274 CYS CB C 13 40.273 . . 1 . 3976 . . 259 CYS CB . 25714 1 1135 . 1 1 274 274 CYS N N 15 125.488 0.047 . 1 . 3533 . . 259 CYS N . 25714 1 1136 . 1 1 275 275 HIS H H 1 9.299 0.011 . 1 . 3234 . . 260 HIS H . 25714 1 1137 . 1 1 275 275 HIS C C 13 174.919 0.018 . 1 . 4245 . . 260 HIS C . 25714 1 1138 . 1 1 275 275 HIS CA C 13 54.516 0.05 . 1 . 3876 . . 260 HIS CA . 25714 1 1139 . 1 1 275 275 HIS CB C 13 30.756 0.029 . 1 . 3877 . . 260 HIS CB . 25714 1 1140 . 1 1 275 275 HIS N N 15 129.234 0.035 . 1 . 3235 . . 260 HIS N . 25714 1 1141 . 1 1 276 276 VAL H H 1 8.565 0.011 . 1 . 3394 . . 261 VAL H . 25714 1 1142 . 1 1 276 276 VAL CA C 13 60.629 . . 1 . 3801 . . 261 VAL CA . 25714 1 1143 . 1 1 276 276 VAL CB C 13 33.65 . . 1 . 3802 . . 261 VAL CB . 25714 1 1144 . 1 1 276 276 VAL N N 15 125.404 0.1 . 1 . 3395 . . 261 VAL N . 25714 1 1145 . 1 1 277 277 GLN H H 1 8.575 0.011 . 1 . 3398 . . 262 GLN H . 25714 1 1146 . 1 1 277 277 GLN C C 13 173.932 0.007 . 1 . 4129 . . 262 GLN C . 25714 1 1147 . 1 1 277 277 GLN CA C 13 54.138 0.034 . 1 . 4009 . . 262 GLN CA . 25714 1 1148 . 1 1 277 277 GLN CB C 13 31.152 0.055 . 1 . 3912 . . 262 GLN CB . 25714 1 1149 . 1 1 277 277 GLN N N 15 124.991 0.045 . 1 . 3399 . . 262 GLN N . 25714 1 1150 . 1 1 278 278 HIS H H 1 8.140 0.007 . 1 . 3510 . . 263 HIS H . 25714 1 1151 . 1 1 278 278 HIS C C 13 175.302 0.008 . 1 . 4189 . . 263 HIS C . 25714 1 1152 . 1 1 278 278 HIS CA C 13 57.974 . . 1 . 4008 . . 263 HIS CA . 25714 1 1153 . 1 1 278 278 HIS CB C 13 35.741 . . 1 . 4010 . . 263 HIS CB . 25714 1 1154 . 1 1 278 278 HIS N N 15 123.326 0.05 . 1 . 3511 . . 263 HIS N . 25714 1 1155 . 1 1 279 279 GLU H H 1 8.402 0.011 . 1 . 3316 . . 264 GLU H . 25714 1 1156 . 1 1 279 279 GLU C C 13 177.092 0.007 . 1 . 4188 . . 264 GLU C . 25714 1 1157 . 1 1 279 279 GLU CA C 13 58.664 . . 1 . 4097 . . 264 GLU CA . 25714 1 1158 . 1 1 279 279 GLU CB C 13 29.356 0.05 . 1 . 3798 . . 264 GLU CB . 25714 1 1159 . 1 1 279 279 GLU N N 15 127.445 0.037 . 1 . 3317 . . 264 GLU N . 25714 1 1160 . 1 1 280 280 GLY H H 1 10.718 0.011 . 1 . 3143 . . 265 GLY H . 25714 1 1161 . 1 1 280 280 GLY C C 13 173.437 0.012 . 1 . 4335 . . 265 GLY C . 25714 1 1162 . 1 1 280 280 GLY CA C 13 44.979 0.066 . 1 . 3670 . . 265 GLY CA . 25714 1 1163 . 1 1 280 280 GLY N N 15 110.988 0.029 . 1 . 3144 . . 265 GLY N . 25714 1 1164 . 1 1 281 281 LEU H H 1 8.128 0.008 . 1 . 3364 . . 266 LEU H . 25714 1 1165 . 1 1 281 281 LEU C C 13 175.717 . . 1 . 4334 . . 266 LEU C . 25714 1 1166 . 1 1 281 281 LEU CA C 13 51.253 . . 1 . 3669 . . 266 LEU CA . 25714 1 1167 . 1 1 281 281 LEU N N 15 122.352 0.061 . 1 . 3365 . . 266 LEU N . 25714 1 1168 . 1 1 282 282 PRO C C 13 175.933 0.013 . 1 . 4318 . . 267 PRO C . 25714 1 1169 . 1 1 282 282 PRO CA C 13 63.419 0.007 . 1 . 3810 . . 267 PRO CA . 25714 1 1170 . 1 1 282 282 PRO CB C 13 30.915 0.065 . 1 . 3813 . . 267 PRO CB . 25714 1 1171 . 1 1 283 283 LYS H H 1 8.001 0.011 . 1 . 3362 . . 268 LYS H . 25714 1 1172 . 1 1 283 283 LYS CA C 13 54.082 . . 1 . 3812 . . 268 LYS CA . 25714 1 1173 . 1 1 283 283 LYS N N 15 121.268 0.056 . 1 . 3363 . . 268 LYS N . 25714 1 1174 . 1 1 284 284 PRO C C 13 176.901 0.044 . 1 . 4259 . . 269 PRO C . 25714 1 1175 . 1 1 284 284 PRO CA C 13 63.152 0.018 . 1 . 3751 . . 269 PRO CA . 25714 1 1176 . 1 1 284 284 PRO CB C 13 31.721 . . 1 . 4089 . . 269 PRO CB . 25714 1 1177 . 1 1 285 285 LEU H H 1 8.424 0.008 . 1 . 3404 . . 270 LEU H . 25714 1 1178 . 1 1 285 285 LEU C C 13 176.837 0.009 . 1 . 4219 . . 270 LEU C . 25714 1 1179 . 1 1 285 285 LEU CA C 13 53.707 0.038 . 1 . 3752 . . 270 LEU CA . 25714 1 1180 . 1 1 285 285 LEU CB C 13 44.622 0.04 . 1 . 3754 . . 270 LEU CB . 25714 1 1181 . 1 1 285 285 LEU N N 15 123.735 0.053 . 1 . 3405 . . 270 LEU N . 25714 1 1182 . 1 1 286 286 THR H H 1 8.338 0.007 . 1 . 3254 . . 271 THR H . 25714 1 1183 . 1 1 286 286 THR C C 13 173.911 0.005 . 1 . 4374 . . 271 THR C . 25714 1 1184 . 1 1 286 286 THR CA C 13 61.051 0.126 . 1 . 3823 . . 271 THR CA . 25714 1 1185 . 1 1 286 286 THR CB C 13 69.975 0.07 . 1 . 3985 . . 271 THR CB . 25714 1 1186 . 1 1 286 286 THR N N 15 117.647 0.035 . 1 . 3255 . . 271 THR N . 25714 1 1187 . 1 1 287 287 LEU H H 1 9.520 0.009 . 1 . 3214 . . 272 LEU H . 25714 1 1188 . 1 1 287 287 LEU C C 13 175.106 0.019 . 1 . 4317 . . 272 LEU C . 25714 1 1189 . 1 1 287 287 LEU CA C 13 54.505 . . 1 . 3986 . . 272 LEU CA . 25714 1 1190 . 1 1 287 287 LEU CB C 13 44.563 . . 1 . 3987 . . 272 LEU CB . 25714 1 1191 . 1 1 287 287 LEU N N 15 127.378 0.044 . 1 . 3215 . . 272 LEU N . 25714 1 1192 . 1 1 288 288 ARG H H 1 8.468 0.012 . 1 . 3264 . . 273 ARG H . 25714 1 1193 . 1 1 288 288 ARG C C 13 175.396 0.006 . 1 . 4316 . . 273 ARG C . 25714 1 1194 . 1 1 288 288 ARG CA C 13 54.343 0.003 . 1 . 3909 . . 273 ARG CA . 25714 1 1195 . 1 1 288 288 ARG CB C 13 33.694 0.028 . 1 . 3910 . . 273 ARG CB . 25714 1 1196 . 1 1 288 288 ARG N N 15 118.692 0.136 . 1 . 3265 . . 273 ARG N . 25714 1 1197 . 1 1 289 289 TRP H H 1 9.803 0.011 . 1 . 3204 . . 274 TRP H . 25714 1 1198 . 1 1 289 289 TRP C C 13 174.869 0.007 . 1 . 4253 . . 274 TRP C . 25714 1 1199 . 1 1 289 289 TRP CA C 13 58.134 0.012 . 1 . 3908 . . 274 TRP CA . 25714 1 1200 . 1 1 289 289 TRP CB C 13 28.820 0.023 . 1 . 3911 . . 274 TRP CB . 25714 1 1201 . 1 1 289 289 TRP N N 15 123.877 0.034 . 1 . 3205 . . 274 TRP N . 25714 1 1202 . 1 1 290 290 GLU H H 1 7.686 0.003 . 1 . 3386 . . 275 GLU H . 25714 1 1203 . 1 1 290 290 GLU C C 13 172.790 . . 1 . 4254 . . 275 GLU C . 25714 1 1204 . 1 1 290 290 GLU CA C 13 52.526 . . 1 . 3951 . . 275 GLU CA . 25714 1 1205 . 1 1 290 290 GLU CB C 13 30.205 . . 1 . 3952 . . 275 GLU CB . 25714 1 1206 . 1 1 290 290 GLU N N 15 128.422 0.044 . 1 . 3387 . . 275 GLU N . 25714 1 1207 . 1 1 291 291 PRO C C 13 176.365 0.004 . 1 . 4237 . . 276 PRO C . 25714 1 1208 . 1 1 291 291 PRO CB C 13 31.129 0.024 . 1 . 3791 . . 276 PRO CB . 25714 1 1209 . 1 1 292 292 SER H H 1 7.775 0.005 . 1 . 3372 . . 277 SER H . 25714 1 1210 . 1 1 292 292 SER C C 13 178.935 . . 1 . 4236 . . 277 SER C . 25714 1 1211 . 1 1 292 292 SER CA C 13 59.707 . . 1 . 3790 . . 277 SER CA . 25714 1 1212 . 1 1 292 292 SER CB C 13 67.014 . . 1 . 3789 . . 277 SER CB . 25714 1 1213 . 1 1 292 292 SER N N 15 121.928 0.052 . 1 . 3373 . . 277 SER N . 25714 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 25714 _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 25714 2 2 '3D HN(CO)CA' 1 $1 isotropic 25714 2 3 '3D HN(COCA)CB' 1 $1 isotropic 25714 2 4 '3D HNCACB' 1 $1 isotropic 25714 2 5 '3D HNCO' 1 $1 isotropic 25714 2 6 '3D HN(CA)CO' 1 $1 isotropic 25714 2 7 '2D 1H-15N HSQC' . . . 25714 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 . . 25714 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 22 22 TYR H H 1 8.604 . . 1 . 480 . . 7 TYR H . 25714 2 2 . 1 1 22 22 TYR N N 15 119.438 . . 1 . 481 . . 7 TYR N . 25714 2 3 . 1 1 27 27 VAL H H 1 8.979 . . 1 . 470 . . 12 VAL H . 25714 2 4 . 1 1 27 27 VAL N N 15 123.715 . . 1 . 471 . . 12 VAL N . 25714 2 5 . 1 1 28 28 SER H H 1 9.559 . . 1 . 478 . . 13 SER H . 25714 2 6 . 1 1 28 28 SER N N 15 122.575 . . 1 . 479 . . 13 SER N . 25714 2 7 . 1 1 37 37 PHE H H 1 9.225 . . 1 . 482 . . 22 PHE H . 25714 2 8 . 1 1 37 37 PHE N N 15 130.809 . . 1 . 483 . . 22 PHE N . 25714 2 9 . 1 1 41 41 GLY H H 1 7.985 . . 1 . 484 . . 26 GLY H . 25714 2 10 . 1 1 41 41 GLY N N 15 108.643 . . 1 . 485 . . 26 GLY N . 25714 2 11 . 1 1 45 45 ASP H H 1 6.885 . . 1 . 486 . . 30 ASP H . 25714 2 12 . 1 1 45 45 ASP N N 15 120.441 . . 1 . 487 . . 30 ASP N . 25714 2 13 . 1 1 52 52 ASP H H 1 7.974 . . 1 . 488 . . 37 ASP H . 25714 2 14 . 1 1 52 52 ASP N N 15 129.393 . . 1 . 489 . . 37 ASP N . 25714 2 15 . 1 1 94 94 ARG H H 1 7.111 . . 1 . 490 . . 79 ARG H . 25714 2 16 . 1 1 94 94 ARG N N 15 118.916 . . 1 . 491 . . 79 ARG N . 25714 2 17 . 1 1 97 97 LEU H H 1 7.143 . . 1 . 492 . . 82 LEU H . 25714 2 18 . 1 1 97 97 LEU N N 15 116.877 . . 1 . 493 . . 82 LEU N . 25714 2 19 . 1 1 99 99 TYR H H 1 8.683 . . 1 . 472 . . 84 TYR H . 25714 2 20 . 1 1 99 99 TYR N N 15 120.969 . . 1 . 473 . . 84 TYR N . 25714 2 21 . 1 1 109 109 THR H H 1 8.521 . . 1 . 494 . . 94 THR H . 25714 2 22 . 1 1 109 109 THR N N 15 114.466 . . 1 . 495 . . 94 THR N . 25714 2 23 . 1 1 110 110 LEU H H 1 9.845 . . 1 . 476 . . 95 LEU H . 25714 2 24 . 1 1 110 110 LEU N N 15 130.871 . . 1 . 477 . . 95 LEU N . 25714 2 25 . 1 1 115 115 GLY H H 1 8.749 . . 1 . 496 . . 100 GLY H . 25714 2 26 . 1 1 115 115 GLY N N 15 104.652 . . 1 . 497 . . 100 GLY N . 25714 2 27 . 1 1 116 116 CYS H H 1 8.863 . . 1 . 498 . . 101 CYS H . 25714 2 28 . 1 1 116 116 CYS N N 15 111.219 . . 1 . 499 . . 101 CYS N . 25714 2 29 . 1 1 127 127 GLY H H 1 8.639 . . 1 . 500 . . 112 GLY H . 25714 2 30 . 1 1 127 127 GLY N N 15 110.777 . . 1 . 501 . . 112 GLY N . 25714 2 31 . 1 1 130 130 GLN H H 1 9.893 . . 1 . 502 . . 115 GLN H . 25714 2 32 . 1 1 130 130 GLN N N 15 126.295 . . 1 . 503 . . 115 GLN N . 25714 2 33 . 1 1 134 134 ASP H H 1 9.794 . . 1 . 504 . . 119 ASP H . 25714 2 34 . 1 1 134 134 ASP N N 15 129.456 . . 1 . 505 . . 119 ASP N . 25714 2 35 . 1 1 135 135 GLY H H 1 9.475 . . 1 . 506 . . 120 GLY H . 25714 2 36 . 1 1 135 135 GLY N N 15 102.739 . . 1 . 507 . . 120 GLY N . 25714 2 37 . 1 1 136 136 LYS H H 1 7.325 . . 1 . 508 . . 121 LYS H . 25714 2 38 . 1 1 136 136 LYS N N 15 118.678 . . 1 . 509 . . 121 LYS N . 25714 2 39 . 1 1 138 138 TYR H H 1 8.865 . . 1 . 510 . . 123 TYR H . 25714 2 40 . 1 1 138 138 TYR N N 15 119.609 . . 1 . 511 . . 123 TYR N . 25714 2 41 . 1 1 141 141 LEU H H 1 9.334 0.002 . 1 . 1293 . . 126 LEU H . 25714 2 42 . 1 1 141 141 LEU N N 15 126.164 0.052 . 1 . 1294 . . 126 LEU N . 25714 2 43 . 1 1 153 153 THR H H 1 7.865 . . 1 . 512 . . 138 THR H . 25714 2 44 . 1 1 153 153 THR N N 15 109.916 . . 1 . 513 . . 138 THR N . 25714 2 45 . 1 1 158 158 THR H H 1 6.851 . . 1 . 514 . . 143 THR H . 25714 2 46 . 1 1 158 158 THR N N 15 118.187 . . 1 . 515 . . 143 THR N . 25714 2 47 . 1 1 160 160 ARG H H 1 7.748 . . 1 . 474 . . 145 ARG H . 25714 2 48 . 1 1 160 160 ARG N N 15 117.806 . . 1 . 475 . . 145 ARG N . 25714 2 49 . 1 1 182 182 TRP H H 1 9.123 . . 1 . 1270 . . 167 TRP H . 25714 2 50 . 1 1 182 182 TRP N N 15 120.685 . . 1 . 1269 . . 167 TRP N . 25714 2 stop_ save_