data_25713 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25713 _Entry.Title ; Chemical shifts of the HLA-B2709 heavy chain in complex with the peptide pVIPR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-15 _Entry.Accession_date 2015-07-15 _Entry.Last_release_date 2015-12-02 _Entry.Original_release_date 2015-12-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Backbone H and NH, as well as CO, CA, CB and ILV methyl chemical shifts of the HLA-B2709 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.ORCID _Entry_author.Entry_ID 1 Martin Ballaschk . . . . 25713 2 Peter Schmieder . . . . 25713 3 Andreas Ziegler . . . . 25713 4 Anne Diehl . . . . 25713 5 Barbara Uchanska-Ziegler . . . . 25713 6 Jana Sticht . . . . 25713 7 Huan Lan . . . . 25713 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' . 25713 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 25713 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 806 25713 '15N chemical shifts' 268 25713 '1H chemical shifts' 408 25713 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 2 . . 2020-10-20 2015-07-15 update author 'update assignment, etc.' 25713 1 . . 2015-12-02 2015-07-15 original author 'original release' 25713 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25711 HLA-B2705_TIS 25713 BMRB 25714 HLA-B2705_pVIPR 25713 BMRB 25715 HLA-B2709_TIS 25713 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25713 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Martin Ballaschk . . . . 25713 1 2 Andreas Ziegler . . . . 25713 1 3 Barbara Uchanska-Ziegler . . . . 25713 1 4 Anne Diehl . . . . 25713 1 5 Peter Schmieder . . . . 25713 1 6 Jana Sticht . . . . 25713 1 7 Huan Lan . . . . 25713 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25713 _Assembly.ID 1 _Assembly.Name HLA-B2709_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 80621.0117 _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 09p.hc 1 $09p.hc A . yes native yes no . . . 25713 1 2 09p.b2m 2 $09p.b2m B . no native no no . . . 25713 1 3 09p.pVIPR 3 $09p.pVIPR C . no native no no . . . 25713 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_asym_ID_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_asym_ID_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 . . . . . . . . . . . . 25713 1 2 disulfide single . 1 . 1 CYS 218 218 SG . 1 . 1 CYS 274 274 SG . . . . . . . . . . . . 25713 1 3 disulfide single . 2 . 2 CYS 26 26 SG . 2 . 2 CYS 81 81 SG . . . . . . . . . . . . 25713 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_09p.hc _Entity.Sf_category entity _Entity.Sf_framecode 09p.hc _Entity.Entry_ID 25713 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 09p.hc _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAHHHHHHVDDDDKIGSHSM RYFHTSVSRPGRGEPRFITV GYVDDTLFVRFDSDAASPRE EPRAPWIEQEGPEYWDRETQ ICKAKAQTDREDLRTLLRYY NQSEAGSHTLQNMYGCDVGP DGRLLRGYHQHAYDGKDYIA LNEDLSSWTAADTAAQITQR KWEAARVAEQLRAYLEGECV EWLRRYLENGKETLQRADPP KTHVTHHPISDHEATLRCWA LGFYPAEITLTWQRDGEDQT QDTELVETRPAGDRTFQKWA AVVVPSGEEQRYTCHVQHEG LPKPLTLRWEPS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -14, M -13, A -12, H ...... -1, K 0, I 1, G ...... 275, E 276, P 277, S ; _Entity.Polymer_author_seq_details . _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 . _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 . 25713 1 2 -13 ALA . 25713 1 3 -12 HIS . 25713 1 4 -11 HIS . 25713 1 5 -10 HIS . 25713 1 6 -9 HIS . 25713 1 7 -8 HIS . 25713 1 8 -7 HIS . 25713 1 9 -6 VAL . 25713 1 10 -5 ASP . 25713 1 11 -4 ASP . 25713 1 12 -3 ASP . 25713 1 13 -2 ASP . 25713 1 14 -1 LYS . 25713 1 15 0 ILE . 25713 1 16 1 GLY . 25713 1 17 2 SER . 25713 1 18 3 HIS . 25713 1 19 4 SER . 25713 1 20 5 MET . 25713 1 21 6 ARG . 25713 1 22 7 TYR . 25713 1 23 8 PHE . 25713 1 24 9 HIS . 25713 1 25 10 THR . 25713 1 26 11 SER . 25713 1 27 12 VAL . 25713 1 28 13 SER . 25713 1 29 14 ARG . 25713 1 30 15 PRO . 25713 1 31 16 GLY . 25713 1 32 17 ARG . 25713 1 33 18 GLY . 25713 1 34 19 GLU . 25713 1 35 20 PRO . 25713 1 36 21 ARG . 25713 1 37 22 PHE . 25713 1 38 23 ILE . 25713 1 39 24 THR . 25713 1 40 25 VAL . 25713 1 41 26 GLY . 25713 1 42 27 TYR . 25713 1 43 28 VAL . 25713 1 44 29 ASP . 25713 1 45 30 ASP . 25713 1 46 31 THR . 25713 1 47 32 LEU . 25713 1 48 33 PHE . 25713 1 49 34 VAL . 25713 1 50 35 ARG . 25713 1 51 36 PHE . 25713 1 52 37 ASP . 25713 1 53 38 SER . 25713 1 54 39 ASP . 25713 1 55 40 ALA . 25713 1 56 41 ALA . 25713 1 57 42 SER . 25713 1 58 43 PRO . 25713 1 59 44 ARG . 25713 1 60 45 GLU . 25713 1 61 46 GLU . 25713 1 62 47 PRO . 25713 1 63 48 ARG . 25713 1 64 49 ALA . 25713 1 65 50 PRO . 25713 1 66 51 TRP . 25713 1 67 52 ILE . 25713 1 68 53 GLU . 25713 1 69 54 GLN . 25713 1 70 55 GLU . 25713 1 71 56 GLY . 25713 1 72 57 PRO . 25713 1 73 58 GLU . 25713 1 74 59 TYR . 25713 1 75 60 TRP . 25713 1 76 61 ASP . 25713 1 77 62 ARG . 25713 1 78 63 GLU . 25713 1 79 64 THR . 25713 1 80 65 GLN . 25713 1 81 66 ILE . 25713 1 82 67 CYS . 25713 1 83 68 LYS . 25713 1 84 69 ALA . 25713 1 85 70 LYS . 25713 1 86 71 ALA . 25713 1 87 72 GLN . 25713 1 88 73 THR . 25713 1 89 74 ASP . 25713 1 90 75 ARG . 25713 1 91 76 GLU . 25713 1 92 77 ASP . 25713 1 93 78 LEU . 25713 1 94 79 ARG . 25713 1 95 80 THR . 25713 1 96 81 LEU . 25713 1 97 82 LEU . 25713 1 98 83 ARG . 25713 1 99 84 TYR . 25713 1 100 85 TYR . 25713 1 101 86 ASN . 25713 1 102 87 GLN . 25713 1 103 88 SER . 25713 1 104 89 GLU . 25713 1 105 90 ALA . 25713 1 106 91 GLY . 25713 1 107 92 SER . 25713 1 108 93 HIS . 25713 1 109 94 THR . 25713 1 110 95 LEU . 25713 1 111 96 GLN . 25713 1 112 97 ASN . 25713 1 113 98 MET . 25713 1 114 99 TYR . 25713 1 115 100 GLY . 25713 1 116 101 CYS . 25713 1 117 102 ASP . 25713 1 118 103 VAL . 25713 1 119 104 GLY . 25713 1 120 105 PRO . 25713 1 121 106 ASP . 25713 1 122 107 GLY . 25713 1 123 108 ARG . 25713 1 124 109 LEU . 25713 1 125 110 LEU . 25713 1 126 111 ARG . 25713 1 127 112 GLY . 25713 1 128 113 TYR . 25713 1 129 114 HIS . 25713 1 130 115 GLN . 25713 1 131 116 HIS . 25713 1 132 117 ALA . 25713 1 133 118 TYR . 25713 1 134 119 ASP . 25713 1 135 120 GLY . 25713 1 136 121 LYS . 25713 1 137 122 ASP . 25713 1 138 123 TYR . 25713 1 139 124 ILE . 25713 1 140 125 ALA . 25713 1 141 126 LEU . 25713 1 142 127 ASN . 25713 1 143 128 GLU . 25713 1 144 129 ASP . 25713 1 145 130 LEU . 25713 1 146 131 SER . 25713 1 147 132 SER . 25713 1 148 133 TRP . 25713 1 149 134 THR . 25713 1 150 135 ALA . 25713 1 151 136 ALA . 25713 1 152 137 ASP . 25713 1 153 138 THR . 25713 1 154 139 ALA . 25713 1 155 140 ALA . 25713 1 156 141 GLN . 25713 1 157 142 ILE . 25713 1 158 143 THR . 25713 1 159 144 GLN . 25713 1 160 145 ARG . 25713 1 161 146 LYS . 25713 1 162 147 TRP . 25713 1 163 148 GLU . 25713 1 164 149 ALA . 25713 1 165 150 ALA . 25713 1 166 151 ARG . 25713 1 167 152 VAL . 25713 1 168 153 ALA . 25713 1 169 154 GLU . 25713 1 170 155 GLN . 25713 1 171 156 LEU . 25713 1 172 157 ARG . 25713 1 173 158 ALA . 25713 1 174 159 TYR . 25713 1 175 160 LEU . 25713 1 176 161 GLU . 25713 1 177 162 GLY . 25713 1 178 163 GLU . 25713 1 179 164 CYS . 25713 1 180 165 VAL . 25713 1 181 166 GLU . 25713 1 182 167 TRP . 25713 1 183 168 LEU . 25713 1 184 169 ARG . 25713 1 185 170 ARG . 25713 1 186 171 TYR . 25713 1 187 172 LEU . 25713 1 188 173 GLU . 25713 1 189 174 ASN . 25713 1 190 175 GLY . 25713 1 191 176 LYS . 25713 1 192 177 GLU . 25713 1 193 178 THR . 25713 1 194 179 LEU . 25713 1 195 180 GLN . 25713 1 196 181 ARG . 25713 1 197 182 ALA . 25713 1 198 183 ASP . 25713 1 199 184 PRO . 25713 1 200 185 PRO . 25713 1 201 186 LYS . 25713 1 202 187 THR . 25713 1 203 188 HIS . 25713 1 204 189 VAL . 25713 1 205 190 THR . 25713 1 206 191 HIS . 25713 1 207 192 HIS . 25713 1 208 193 PRO . 25713 1 209 194 ILE . 25713 1 210 195 SER . 25713 1 211 196 ASP . 25713 1 212 197 HIS . 25713 1 213 198 GLU . 25713 1 214 199 ALA . 25713 1 215 200 THR . 25713 1 216 201 LEU . 25713 1 217 202 ARG . 25713 1 218 203 CYS . 25713 1 219 204 TRP . 25713 1 220 205 ALA . 25713 1 221 206 LEU . 25713 1 222 207 GLY . 25713 1 223 208 PHE . 25713 1 224 209 TYR . 25713 1 225 210 PRO . 25713 1 226 211 ALA . 25713 1 227 212 GLU . 25713 1 228 213 ILE . 25713 1 229 214 THR . 25713 1 230 215 LEU . 25713 1 231 216 THR . 25713 1 232 217 TRP . 25713 1 233 218 GLN . 25713 1 234 219 ARG . 25713 1 235 220 ASP . 25713 1 236 221 GLY . 25713 1 237 222 GLU . 25713 1 238 223 ASP . 25713 1 239 224 GLN . 25713 1 240 225 THR . 25713 1 241 226 GLN . 25713 1 242 227 ASP . 25713 1 243 228 THR . 25713 1 244 229 GLU . 25713 1 245 230 LEU . 25713 1 246 231 VAL . 25713 1 247 232 GLU . 25713 1 248 233 THR . 25713 1 249 234 ARG . 25713 1 250 235 PRO . 25713 1 251 236 ALA . 25713 1 252 237 GLY . 25713 1 253 238 ASP . 25713 1 254 239 ARG . 25713 1 255 240 THR . 25713 1 256 241 PHE . 25713 1 257 242 GLN . 25713 1 258 243 LYS . 25713 1 259 244 TRP . 25713 1 260 245 ALA . 25713 1 261 246 ALA . 25713 1 262 247 VAL . 25713 1 263 248 VAL . 25713 1 264 249 VAL . 25713 1 265 250 PRO . 25713 1 266 251 SER . 25713 1 267 252 GLY . 25713 1 268 253 GLU . 25713 1 269 254 GLU . 25713 1 270 255 GLN . 25713 1 271 256 ARG . 25713 1 272 257 TYR . 25713 1 273 258 THR . 25713 1 274 259 CYS . 25713 1 275 260 HIS . 25713 1 276 261 VAL . 25713 1 277 262 GLN . 25713 1 278 263 HIS . 25713 1 279 264 GLU . 25713 1 280 265 GLY . 25713 1 281 266 LEU . 25713 1 282 267 PRO . 25713 1 283 268 LYS . 25713 1 284 269 PRO . 25713 1 285 270 LEU . 25713 1 286 271 THR . 25713 1 287 272 LEU . 25713 1 288 273 ARG . 25713 1 289 274 TRP . 25713 1 290 275 GLU . 25713 1 291 276 PRO . 25713 1 292 277 SER . 25713 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 25713 1 . ALA 2 2 25713 1 . HIS 3 3 25713 1 . HIS 4 4 25713 1 . HIS 5 5 25713 1 . HIS 6 6 25713 1 . HIS 7 7 25713 1 . HIS 8 8 25713 1 . VAL 9 9 25713 1 . ASP 10 10 25713 1 . ASP 11 11 25713 1 . ASP 12 12 25713 1 . ASP 13 13 25713 1 . LYS 14 14 25713 1 . ILE 15 15 25713 1 . GLY 16 16 25713 1 . SER 17 17 25713 1 . HIS 18 18 25713 1 . SER 19 19 25713 1 . MET 20 20 25713 1 . ARG 21 21 25713 1 . TYR 22 22 25713 1 . PHE 23 23 25713 1 . HIS 24 24 25713 1 . THR 25 25 25713 1 . SER 26 26 25713 1 . VAL 27 27 25713 1 . SER 28 28 25713 1 . ARG 29 29 25713 1 . PRO 30 30 25713 1 . GLY 31 31 25713 1 . ARG 32 32 25713 1 . GLY 33 33 25713 1 . GLU 34 34 25713 1 . PRO 35 35 25713 1 . ARG 36 36 25713 1 . PHE 37 37 25713 1 . ILE 38 38 25713 1 . THR 39 39 25713 1 . VAL 40 40 25713 1 . GLY 41 41 25713 1 . TYR 42 42 25713 1 . VAL 43 43 25713 1 . ASP 44 44 25713 1 . ASP 45 45 25713 1 . THR 46 46 25713 1 . LEU 47 47 25713 1 . PHE 48 48 25713 1 . VAL 49 49 25713 1 . ARG 50 50 25713 1 . PHE 51 51 25713 1 . ASP 52 52 25713 1 . SER 53 53 25713 1 . ASP 54 54 25713 1 . ALA 55 55 25713 1 . ALA 56 56 25713 1 . SER 57 57 25713 1 . PRO 58 58 25713 1 . ARG 59 59 25713 1 . GLU 60 60 25713 1 . GLU 61 61 25713 1 . PRO 62 62 25713 1 . ARG 63 63 25713 1 . ALA 64 64 25713 1 . PRO 65 65 25713 1 . TRP 66 66 25713 1 . ILE 67 67 25713 1 . GLU 68 68 25713 1 . GLN 69 69 25713 1 . GLU 70 70 25713 1 . GLY 71 71 25713 1 . PRO 72 72 25713 1 . GLU 73 73 25713 1 . TYR 74 74 25713 1 . TRP 75 75 25713 1 . ASP 76 76 25713 1 . ARG 77 77 25713 1 . GLU 78 78 25713 1 . THR 79 79 25713 1 . GLN 80 80 25713 1 . ILE 81 81 25713 1 . CYS 82 82 25713 1 . LYS 83 83 25713 1 . ALA 84 84 25713 1 . LYS 85 85 25713 1 . ALA 86 86 25713 1 . GLN 87 87 25713 1 . THR 88 88 25713 1 . ASP 89 89 25713 1 . ARG 90 90 25713 1 . GLU 91 91 25713 1 . ASP 92 92 25713 1 . LEU 93 93 25713 1 . ARG 94 94 25713 1 . THR 95 95 25713 1 . LEU 96 96 25713 1 . LEU 97 97 25713 1 . ARG 98 98 25713 1 . TYR 99 99 25713 1 . TYR 100 100 25713 1 . ASN 101 101 25713 1 . GLN 102 102 25713 1 . SER 103 103 25713 1 . GLU 104 104 25713 1 . ALA 105 105 25713 1 . GLY 106 106 25713 1 . SER 107 107 25713 1 . HIS 108 108 25713 1 . THR 109 109 25713 1 . LEU 110 110 25713 1 . GLN 111 111 25713 1 . ASN 112 112 25713 1 . MET 113 113 25713 1 . TYR 114 114 25713 1 . GLY 115 115 25713 1 . CYS 116 116 25713 1 . ASP 117 117 25713 1 . VAL 118 118 25713 1 . GLY 119 119 25713 1 . PRO 120 120 25713 1 . ASP 121 121 25713 1 . GLY 122 122 25713 1 . ARG 123 123 25713 1 . LEU 124 124 25713 1 . LEU 125 125 25713 1 . ARG 126 126 25713 1 . GLY 127 127 25713 1 . TYR 128 128 25713 1 . HIS 129 129 25713 1 . GLN 130 130 25713 1 . HIS 131 131 25713 1 . ALA 132 132 25713 1 . TYR 133 133 25713 1 . ASP 134 134 25713 1 . GLY 135 135 25713 1 . LYS 136 136 25713 1 . ASP 137 137 25713 1 . TYR 138 138 25713 1 . ILE 139 139 25713 1 . ALA 140 140 25713 1 . LEU 141 141 25713 1 . ASN 142 142 25713 1 . GLU 143 143 25713 1 . ASP 144 144 25713 1 . LEU 145 145 25713 1 . SER 146 146 25713 1 . SER 147 147 25713 1 . TRP 148 148 25713 1 . THR 149 149 25713 1 . ALA 150 150 25713 1 . ALA 151 151 25713 1 . ASP 152 152 25713 1 . THR 153 153 25713 1 . ALA 154 154 25713 1 . ALA 155 155 25713 1 . GLN 156 156 25713 1 . ILE 157 157 25713 1 . THR 158 158 25713 1 . GLN 159 159 25713 1 . ARG 160 160 25713 1 . LYS 161 161 25713 1 . TRP 162 162 25713 1 . GLU 163 163 25713 1 . ALA 164 164 25713 1 . ALA 165 165 25713 1 . ARG 166 166 25713 1 . VAL 167 167 25713 1 . ALA 168 168 25713 1 . GLU 169 169 25713 1 . GLN 170 170 25713 1 . LEU 171 171 25713 1 . ARG 172 172 25713 1 . ALA 173 173 25713 1 . TYR 174 174 25713 1 . LEU 175 175 25713 1 . GLU 176 176 25713 1 . GLY 177 177 25713 1 . GLU 178 178 25713 1 . CYS 179 179 25713 1 . VAL 180 180 25713 1 . GLU 181 181 25713 1 . TRP 182 182 25713 1 . LEU 183 183 25713 1 . ARG 184 184 25713 1 . ARG 185 185 25713 1 . TYR 186 186 25713 1 . LEU 187 187 25713 1 . GLU 188 188 25713 1 . ASN 189 189 25713 1 . GLY 190 190 25713 1 . LYS 191 191 25713 1 . GLU 192 192 25713 1 . THR 193 193 25713 1 . LEU 194 194 25713 1 . GLN 195 195 25713 1 . ARG 196 196 25713 1 . ALA 197 197 25713 1 . ASP 198 198 25713 1 . PRO 199 199 25713 1 . PRO 200 200 25713 1 . LYS 201 201 25713 1 . THR 202 202 25713 1 . HIS 203 203 25713 1 . VAL 204 204 25713 1 . THR 205 205 25713 1 . HIS 206 206 25713 1 . HIS 207 207 25713 1 . PRO 208 208 25713 1 . ILE 209 209 25713 1 . SER 210 210 25713 1 . ASP 211 211 25713 1 . HIS 212 212 25713 1 . GLU 213 213 25713 1 . ALA 214 214 25713 1 . THR 215 215 25713 1 . LEU 216 216 25713 1 . ARG 217 217 25713 1 . CYS 218 218 25713 1 . TRP 219 219 25713 1 . ALA 220 220 25713 1 . LEU 221 221 25713 1 . GLY 222 222 25713 1 . PHE 223 223 25713 1 . TYR 224 224 25713 1 . PRO 225 225 25713 1 . ALA 226 226 25713 1 . GLU 227 227 25713 1 . ILE 228 228 25713 1 . THR 229 229 25713 1 . LEU 230 230 25713 1 . THR 231 231 25713 1 . TRP 232 232 25713 1 . GLN 233 233 25713 1 . ARG 234 234 25713 1 . ASP 235 235 25713 1 . GLY 236 236 25713 1 . GLU 237 237 25713 1 . ASP 238 238 25713 1 . GLN 239 239 25713 1 . THR 240 240 25713 1 . GLN 241 241 25713 1 . ASP 242 242 25713 1 . THR 243 243 25713 1 . GLU 244 244 25713 1 . LEU 245 245 25713 1 . VAL 246 246 25713 1 . GLU 247 247 25713 1 . THR 248 248 25713 1 . ARG 249 249 25713 1 . PRO 250 250 25713 1 . ALA 251 251 25713 1 . GLY 252 252 25713 1 . ASP 253 253 25713 1 . ARG 254 254 25713 1 . THR 255 255 25713 1 . PHE 256 256 25713 1 . GLN 257 257 25713 1 . LYS 258 258 25713 1 . TRP 259 259 25713 1 . ALA 260 260 25713 1 . ALA 261 261 25713 1 . VAL 262 262 25713 1 . VAL 263 263 25713 1 . VAL 264 264 25713 1 . PRO 265 265 25713 1 . SER 266 266 25713 1 . GLY 267 267 25713 1 . GLU 268 268 25713 1 . GLU 269 269 25713 1 . GLN 270 270 25713 1 . ARG 271 271 25713 1 . TYR 272 272 25713 1 . THR 273 273 25713 1 . CYS 274 274 25713 1 . HIS 275 275 25713 1 . VAL 276 276 25713 1 . GLN 277 277 25713 1 . HIS 278 278 25713 1 . GLU 279 279 25713 1 . GLY 280 280 25713 1 . LEU 281 281 25713 1 . PRO 282 282 25713 1 . LYS 283 283 25713 1 . PRO 284 284 25713 1 . LEU 285 285 25713 1 . THR 286 286 25713 1 . LEU 287 287 25713 1 . ARG 288 288 25713 1 . TRP 289 289 25713 1 . GLU 290 290 25713 1 . PRO 291 291 25713 1 . SER 292 292 25713 1 stop_ save_ save_09p.b2m _Entity.Sf_category entity _Entity.Sf_framecode 09p.b2m _Entity.Entry_ID 25713 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 09p.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 . _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 . 25713 2 2 1 ILE . 25713 2 3 2 GLN . 25713 2 4 3 ARG . 25713 2 5 4 THR . 25713 2 6 5 PRO . 25713 2 7 6 LYS . 25713 2 8 7 ILE . 25713 2 9 8 GLN . 25713 2 10 9 VAL . 25713 2 11 10 TYR . 25713 2 12 11 SER . 25713 2 13 12 ARG . 25713 2 14 13 HIS . 25713 2 15 14 PRO . 25713 2 16 15 ALA . 25713 2 17 16 GLU . 25713 2 18 17 ASN . 25713 2 19 18 GLY . 25713 2 20 19 LYS . 25713 2 21 20 SER . 25713 2 22 21 ASN . 25713 2 23 22 PHE . 25713 2 24 23 LEU . 25713 2 25 24 ASN . 25713 2 26 25 CYS . 25713 2 27 26 TYR . 25713 2 28 27 VAL . 25713 2 29 28 SER . 25713 2 30 29 GLY . 25713 2 31 30 PHE . 25713 2 32 31 HIS . 25713 2 33 32 PRO . 25713 2 34 33 SER . 25713 2 35 34 ASP . 25713 2 36 35 ILE . 25713 2 37 36 GLU . 25713 2 38 37 VAL . 25713 2 39 38 ASP . 25713 2 40 39 LEU . 25713 2 41 40 LEU . 25713 2 42 41 LYS . 25713 2 43 42 ASN . 25713 2 44 43 GLY . 25713 2 45 44 GLU . 25713 2 46 45 ARG . 25713 2 47 46 ILE . 25713 2 48 47 GLU . 25713 2 49 48 LYS . 25713 2 50 49 VAL . 25713 2 51 50 GLU . 25713 2 52 51 HIS . 25713 2 53 52 SER . 25713 2 54 53 ASP . 25713 2 55 54 LEU . 25713 2 56 55 SER . 25713 2 57 56 PHE . 25713 2 58 57 SER . 25713 2 59 58 LYS . 25713 2 60 59 ASP . 25713 2 61 60 TRP . 25713 2 62 61 SER . 25713 2 63 62 PHE . 25713 2 64 63 TYR . 25713 2 65 64 LEU . 25713 2 66 65 LEU . 25713 2 67 66 TYR . 25713 2 68 67 TYR . 25713 2 69 68 THR . 25713 2 70 69 GLU . 25713 2 71 70 PHE . 25713 2 72 71 THR . 25713 2 73 72 PRO . 25713 2 74 73 THR . 25713 2 75 74 GLU . 25713 2 76 75 LYS . 25713 2 77 76 ASP . 25713 2 78 77 GLU . 25713 2 79 78 TYR . 25713 2 80 79 ALA . 25713 2 81 80 CYS . 25713 2 82 81 ARG . 25713 2 83 82 VAL . 25713 2 84 83 ASN . 25713 2 85 84 HIS . 25713 2 86 85 VAL . 25713 2 87 86 THR . 25713 2 88 87 LEU . 25713 2 89 88 SER . 25713 2 90 89 GLN . 25713 2 91 90 PRO . 25713 2 92 91 LYS . 25713 2 93 92 ILE . 25713 2 94 93 VAL . 25713 2 95 94 LYS . 25713 2 96 95 TRP . 25713 2 97 96 ASP . 25713 2 98 97 ARG . 25713 2 99 98 ASP . 25713 2 100 99 MET . 25713 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 25713 2 . ILE 2 2 25713 2 . GLN 3 3 25713 2 . ARG 4 4 25713 2 . THR 5 5 25713 2 . PRO 6 6 25713 2 . LYS 7 7 25713 2 . ILE 8 8 25713 2 . GLN 9 9 25713 2 . VAL 10 10 25713 2 . TYR 11 11 25713 2 . SER 12 12 25713 2 . ARG 13 13 25713 2 . HIS 14 14 25713 2 . PRO 15 15 25713 2 . ALA 16 16 25713 2 . GLU 17 17 25713 2 . ASN 18 18 25713 2 . GLY 19 19 25713 2 . LYS 20 20 25713 2 . SER 21 21 25713 2 . ASN 22 22 25713 2 . PHE 23 23 25713 2 . LEU 24 24 25713 2 . ASN 25 25 25713 2 . CYS 26 26 25713 2 . TYR 27 27 25713 2 . VAL 28 28 25713 2 . SER 29 29 25713 2 . GLY 30 30 25713 2 . PHE 31 31 25713 2 . HIS 32 32 25713 2 . PRO 33 33 25713 2 . SER 34 34 25713 2 . ASP 35 35 25713 2 . ILE 36 36 25713 2 . GLU 37 37 25713 2 . VAL 38 38 25713 2 . ASP 39 39 25713 2 . LEU 40 40 25713 2 . LEU 41 41 25713 2 . LYS 42 42 25713 2 . ASN 43 43 25713 2 . GLY 44 44 25713 2 . GLU 45 45 25713 2 . ARG 46 46 25713 2 . ILE 47 47 25713 2 . GLU 48 48 25713 2 . LYS 49 49 25713 2 . VAL 50 50 25713 2 . GLU 51 51 25713 2 . HIS 52 52 25713 2 . SER 53 53 25713 2 . ASP 54 54 25713 2 . LEU 55 55 25713 2 . SER 56 56 25713 2 . PHE 57 57 25713 2 . SER 58 58 25713 2 . LYS 59 59 25713 2 . ASP 60 60 25713 2 . TRP 61 61 25713 2 . SER 62 62 25713 2 . PHE 63 63 25713 2 . TYR 64 64 25713 2 . LEU 65 65 25713 2 . LEU 66 66 25713 2 . TYR 67 67 25713 2 . TYR 68 68 25713 2 . THR 69 69 25713 2 . GLU 70 70 25713 2 . PHE 71 71 25713 2 . THR 72 72 25713 2 . PRO 73 73 25713 2 . THR 74 74 25713 2 . GLU 75 75 25713 2 . LYS 76 76 25713 2 . ASP 77 77 25713 2 . GLU 78 78 25713 2 . TYR 79 79 25713 2 . ALA 80 80 25713 2 . CYS 81 81 25713 2 . ARG 82 82 25713 2 . VAL 83 83 25713 2 . ASN 84 84 25713 2 . HIS 85 85 25713 2 . VAL 86 86 25713 2 . THR 87 87 25713 2 . LEU 88 88 25713 2 . SER 89 89 25713 2 . GLN 90 90 25713 2 . PRO 91 91 25713 2 . LYS 92 92 25713 2 . ILE 93 93 25713 2 . VAL 94 94 25713 2 . LYS 95 95 25713 2 . TRP 96 96 25713 2 . ASP 97 97 25713 2 . ARG 98 98 25713 2 . ASP 99 99 25713 2 . MET 100 100 25713 2 stop_ save_ save_09p.pVIPR _Entity.Sf_category entity _Entity.Sf_framecode 09p.pVIPR _Entity.Entry_ID 25713 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name 09p.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 . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1160.4475 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ARG . 25713 3 2 . ARG . 25713 3 3 . LYS . 25713 3 4 . TRP . 25713 3 5 . ARG . 25713 3 6 . ARG . 25713 3 7 . TRP . 25713 3 8 . HIS . 25713 3 9 . LEU . 25713 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 25713 3 . ARG 2 2 25713 3 . LYS 3 3 25713 3 . TRP 4 4 25713 3 . ARG 5 5 25713 3 . ARG 6 6 25713 3 . TRP 7 7 25713 3 . HIS 8 8 25713 3 . LEU 9 9 25713 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 25713 _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 $09p.hc . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25713 1 2 2 $09p.b2m . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25713 1 3 3 $09p.pVIPR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25713 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 25713 _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 $09p.hc . 'recombinant technology' undefined undefined . . . . . Rosetta2 . plasmid . . 'pET 46 Ek/LIC' . . . 25713 1 2 2 $09p.b2m . 'recombinant technology' undefined undefined . . . . . Xa90 . plasmid . . pHN1+ . . . 25713 1 3 3 $09p.pVIPR . 'chemical synthesis' undefined undefined . . . . . . . 'chemical synthesis' . . 'not applicable' . . . 25713 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25713 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 09p.pVIPR 'natural abundance' . . 3 $09p.pVIPR . . 0.33 . . mM . . . . 25713 1 2 09p.b2m 'natural abundance' . . 2 $09p.b2m . . 0.33 . . mM . . . . 25713 1 3 09p.hc '[U-13C; U-15N; U-2H]' . . 1 $09p.hc . . 0.33 . . mM . . . . 25713 1 4 'Sodium Phosphate' 'natural abundance' . . . . . . 10.00 . . mM . . . . 25713 1 5 'Sodium Chloride' 'natural abundance' . . . . . . 150.00 . . mM . . . . 25713 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25713 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25713 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 25713 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.160 . M 25713 1 pH 7.500 . pH 25713 1 pressure 1.000 . atm 25713 1 temperature 310.000 . K 25713 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25713 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _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 25713 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . assignments 25713 1 stop_ save_ save_Topspin _Software.Sf_category software _Software.Sf_framecode Topspin _Software.Entry_ID 25713 _Software.ID 2 _Software.Type . _Software.Name Topspin _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . http://www.bruker.com/ 25713 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'Spectrum processing' 25713 2 stop_ save_ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 25713 _Software.ID 3 _Software.Type . _Software.Name nmrDraw _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . http://spin.niddk.nih.gov/NMRPipe/ 25713 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'Spectrum analysis' 25713 3 . 'Spectrum display' 25713 3 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 25713 _Software.ID 4 _Software.Type . _Software.Name nmrPipe _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . http://spin.niddk.nih.gov/NMRPipe/ 25713 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'Spectrum processing' 25713 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 25713 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _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 25713 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25713 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 25713 _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 $sample_1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25713 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25713 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25713 1 4 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25713 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25713 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25713 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25713 1 8 1H-13C-ct-HMQC no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25713 1 9 HM[CG]CBCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25713 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 25713 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.2514495300 . . . . . 25713 1 H 1 DSS 'methyl protons' . . . . ppm 0 external indirect 1 . . . . . 25713 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.1013291180 . . . . . 25713 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 25713 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_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 $sample_1 isotropic 25713 1 2 '3D HN(CO)CA' 1 $sample_1 isotropic 25713 1 3 '3D HNCACB' 1 $sample_1 isotropic 25713 1 4 '3D HN(CO)CACB' 1 $sample_1 isotropic 25713 1 5 '3D HNCO' 1 $sample_1 . 25713 1 6 '3D HN(CA)CO' 1 $sample_1 . 25713 1 7 '2D 1H-15N HSQC' 1 $sample_1 . 25713 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 . . 25713 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 10 10 ASP H H 1 8.489 0.002 . 1 . . . . . -5 ASP H . 25713 1 2 . 1 . 1 10 10 ASP C C 13 176.262 0.001 . 1 . . . . . -5 ASP C . 25713 1 3 . 1 . 1 10 10 ASP CA C 13 54.385 0.000 . 1 . . . . . -5 ASP CA . 25713 1 4 . 1 . 1 10 10 ASP CB C 13 41.006 0.000 . 1 . . . . . -5 ASP CB . 25713 1 5 . 1 . 1 10 10 ASP N N 15 124.307 0.023 . 1 . . . . . -5 ASP N . 25713 1 6 . 1 . 1 11 11 ASP H H 1 8.278 0.001 . 1 . . . . . -4 ASP H . 25713 1 7 . 1 . 1 11 11 ASP N N 15 121.305 0.050 . 1 . . . . . -4 ASP N . 25713 1 8 . 1 . 1 12 12 ASP H H 1 8.330 0.003 . 1 . . . . . -3 ASP H . 25713 1 9 . 1 . 1 12 12 ASP C C 13 176.371 0.049 . 1 . . . . . -3 ASP C . 25713 1 10 . 1 . 1 12 12 ASP CA C 13 54.516 0.089 . 1 . . . . . -3 ASP CA . 25713 1 11 . 1 . 1 12 12 ASP CB C 13 40.811 0.020 . 1 . . . . . -3 ASP CB . 25713 1 12 . 1 . 1 12 12 ASP N N 15 121.068 0.012 . 1 . . . . . -3 ASP N . 25713 1 13 . 1 . 1 13 13 ASP H H 1 8.265 0.002 . 1 . . . . . -2 ASP H . 25713 1 14 . 1 . 1 13 13 ASP C C 13 176.459 0.009 . 1 . . . . . -2 ASP C . 25713 1 15 . 1 . 1 13 13 ASP CA C 13 54.284 0.028 . 1 . . . . . -2 ASP CA . 25713 1 16 . 1 . 1 13 13 ASP N N 15 121.037 0.030 . 1 . . . . . -2 ASP N . 25713 1 17 . 1 . 1 14 14 LYS H H 1 8.147 0.001 . 1 . . . . . -1 LYS H . 25713 1 18 . 1 . 1 14 14 LYS CA C 13 55.949 0.033 . 1 . . . . . -1 LYS CA . 25713 1 19 . 1 . 1 14 14 LYS CB C 13 31.955 0.005 . 1 . . . . . -1 LYS CB . 25713 1 20 . 1 . 1 14 14 LYS N N 15 121.508 0.010 . 1 . . . . . -1 LYS N . 25713 1 21 . 1 . 1 15 15 ILE H H 1 8.019 0.001 . 1 . . . . . 0 ILE H . 25713 1 22 . 1 . 1 15 15 ILE HD11 H 1 0.860 0.004 . 1 . . . . . 0 ILE HD11 . 25713 1 23 . 1 . 1 15 15 ILE HD12 H 1 0.860 0.004 . 1 . . . . . 0 ILE HD12 . 25713 1 24 . 1 . 1 15 15 ILE HD13 H 1 0.860 0.004 . 1 . . . . . 0 ILE HD13 . 25713 1 25 . 1 . 1 15 15 ILE C C 13 177.001 0.035 . 1 . . . . . 0 ILE C . 25713 1 26 . 1 . 1 15 15 ILE CA C 13 61.399 0.119 . 1 . . . . . 0 ILE CA . 25713 1 27 . 1 . 1 15 15 ILE CB C 13 37.734 0.074 . 1 . . . . . 0 ILE CB . 25713 1 28 . 1 . 1 15 15 ILE CD1 C 13 12.709 0.040 . 1 . . . . . 0 ILE CD1 . 25713 1 29 . 1 . 1 15 15 ILE N N 15 122.291 0.056 . 1 . . . . . 0 ILE N . 25713 1 30 . 1 . 1 16 16 GLY H H 1 8.509 0.003 . 1 . . . . . 1 GLY H . 25713 1 31 . 1 . 1 16 16 GLY C C 13 173.237 0.008 . 1 . . . . . 1 GLY C . 25713 1 32 . 1 . 1 16 16 GLY CA C 13 45.292 0.006 . 1 . . . . . 1 GLY CA . 25713 1 33 . 1 . 1 16 16 GLY N N 15 113.415 0.014 . 1 . . . . . 1 GLY N . 25713 1 34 . 1 . 1 17 17 SER H H 1 7.747 0.004 . 1 . . . . . 2 SER H . 25713 1 35 . 1 . 1 17 17 SER C C 13 173.750 0.020 . 1 . . . . . 2 SER C . 25713 1 36 . 1 . 1 17 17 SER CA C 13 57.436 0.071 . 1 . . . . . 2 SER CA . 25713 1 37 . 1 . 1 17 17 SER CB C 13 64.478 0.064 . 1 . . . . . 2 SER CB . 25713 1 38 . 1 . 1 17 17 SER N N 15 114.919 0.010 . 1 . . . . . 2 SER N . 25713 1 39 . 1 . 1 18 18 HIS H H 1 8.489 0.001 . 1 . . . . . 3 HIS H . 25713 1 40 . 1 . 1 18 18 HIS C C 13 173.700 0.004 . 1 . . . . . 3 HIS C . 25713 1 41 . 1 . 1 18 18 HIS CA C 13 54.648 0.021 . 1 . . . . . 3 HIS CA . 25713 1 42 . 1 . 1 18 18 HIS CB C 13 34.293 0.006 . 1 . . . . . 3 HIS CB . 25713 1 43 . 1 . 1 18 18 HIS N N 15 117.206 0.025 . 1 . . . . . 3 HIS N . 25713 1 44 . 1 . 1 19 19 SER H H 1 9.494 0.003 . 1 . . . . . 4 SER H . 25713 1 45 . 1 . 1 19 19 SER C C 13 173.161 0.001 . 1 . . . . . 4 SER C . 25713 1 46 . 1 . 1 19 19 SER CA C 13 56.895 0.046 . 1 . . . . . 4 SER CA . 25713 1 47 . 1 . 1 19 19 SER CB C 13 67.222 0.037 . 1 . . . . . 4 SER CB . 25713 1 48 . 1 . 1 19 19 SER N N 15 116.136 0.010 . 1 . . . . . 4 SER N . 25713 1 49 . 1 . 1 20 20 MET H H 1 9.204 0.003 . 1 . . . . . 5 MET H . 25713 1 50 . 1 . 1 20 20 MET CA C 13 54.913 0.001 . 1 . . . . . 5 MET CA . 25713 1 51 . 1 . 1 20 20 MET CB C 13 38.029 0.000 . 1 . . . . . 5 MET CB . 25713 1 52 . 1 . 1 20 20 MET N N 15 124.425 0.031 . 1 . . . . . 5 MET N . 25713 1 53 . 1 . 1 21 21 ARG H H 1 9.050 0.003 . 1 . . . . . 6 ARG H . 25713 1 54 . 1 . 1 21 21 ARG C C 13 173.699 0.018 . 1 . . . . . 6 ARG C . 25713 1 55 . 1 . 1 21 21 ARG CA C 13 54.035 0.052 . 1 . . . . . 6 ARG CA . 25713 1 56 . 1 . 1 21 21 ARG CB C 13 35.948 0.028 . 1 . . . . . 6 ARG CB . 25713 1 57 . 1 . 1 21 21 ARG N N 15 125.181 0.022 . 1 . . . . . 6 ARG N . 25713 1 58 . 1 . 1 22 22 TYR H H 1 8.622 0.003 . 1 . . . . . 7 TYR H . 25713 1 59 . 1 . 1 22 22 TYR C C 13 174.532 0.009 . 1 . . . . . 7 TYR C . 25713 1 60 . 1 . 1 22 22 TYR CA C 13 57.829 0.025 . 1 . . . . . 7 TYR CA . 25713 1 61 . 1 . 1 22 22 TYR CB C 13 40.558 0.040 . 1 . . . . . 7 TYR CB . 25713 1 62 . 1 . 1 22 22 TYR N N 15 119.010 0.036 . 1 . . . . . 7 TYR N . 25713 1 63 . 1 . 1 23 23 PHE H H 1 8.980 0.002 . 1 . . . . . 8 PHE H . 25713 1 64 . 1 . 1 23 23 PHE C C 13 177.480 0.008 . 1 . . . . . 8 PHE C . 25713 1 65 . 1 . 1 23 23 PHE CA C 13 56.591 0.037 . 1 . . . . . 8 PHE CA . 25713 1 66 . 1 . 1 23 23 PHE CB C 13 40.200 0.033 . 1 . . . . . 8 PHE CB . 25713 1 67 . 1 . 1 23 23 PHE N N 15 120.633 0.024 . 1 . . . . . 8 PHE N . 25713 1 68 . 1 . 1 24 24 HIS H H 1 9.466 0.003 . 1 . . . . . 9 HIS H . 25713 1 69 . 1 . 1 24 24 HIS C C 13 173.677 0.007 . 1 . . . . . 9 HIS C . 25713 1 70 . 1 . 1 24 24 HIS CA C 13 55.971 0.036 . 1 . . . . . 9 HIS CA . 25713 1 71 . 1 . 1 24 24 HIS CB C 13 31.651 0.027 . 1 . . . . . 9 HIS CB . 25713 1 72 . 1 . 1 24 24 HIS N N 15 123.414 0.027 . 1 . . . . . 9 HIS N . 25713 1 73 . 1 . 1 25 25 THR H H 1 9.075 0.003 . 1 . . . . . 10 THR H . 25713 1 74 . 1 . 1 25 25 THR C C 13 173.617 0.021 . 1 . . . . . 10 THR C . 25713 1 75 . 1 . 1 25 25 THR CA C 13 63.747 0.029 . 1 . . . . . 10 THR CA . 25713 1 76 . 1 . 1 25 25 THR CB C 13 71.185 0.028 . 1 . . . . . 10 THR CB . 25713 1 77 . 1 . 1 25 25 THR N N 15 122.884 0.036 . 1 . . . . . 10 THR N . 25713 1 78 . 1 . 1 26 26 SER H H 1 9.476 0.005 . 1 . . . . . 11 SER H . 25713 1 79 . 1 . 1 26 26 SER C C 13 173.771 0.041 . 1 . . . . . 11 SER C . 25713 1 80 . 1 . 1 26 26 SER CA C 13 58.619 0.030 . 1 . . . . . 11 SER CA . 25713 1 81 . 1 . 1 26 26 SER CB C 13 65.534 0.019 . 1 . . . . . 11 SER CB . 25713 1 82 . 1 . 1 26 26 SER N N 15 123.393 0.019 . 1 . . . . . 11 SER N . 25713 1 83 . 1 . 1 27 27 VAL H H 1 9.086 0.002 . 1 . . . . . 12 VAL H . 25713 1 84 . 1 . 1 27 27 VAL C C 13 177.152 0.018 . 1 . . . . . 12 VAL C . 25713 1 85 . 1 . 1 27 27 VAL CA C 13 59.897 0.023 . 1 . . . . . 12 VAL CA . 25713 1 86 . 1 . 1 27 27 VAL CB C 13 34.532 0.026 . 1 . . . . . 12 VAL CB . 25713 1 87 . 1 . 1 27 27 VAL N N 15 124.644 0.023 . 1 . . . . . 12 VAL N . 25713 1 88 . 1 . 1 28 28 SER H H 1 9.477 0.004 . 1 . . . . . 13 SER H . 25713 1 89 . 1 . 1 28 28 SER C C 13 173.724 0.011 . 1 . . . . . 13 SER C . 25713 1 90 . 1 . 1 28 28 SER CA C 13 57.273 0.050 . 1 . . . . . 13 SER CA . 25713 1 91 . 1 . 1 28 28 SER CB C 13 64.580 0.061 . 1 . . . . . 13 SER CB . 25713 1 92 . 1 . 1 28 28 SER N N 15 122.257 0.015 . 1 . . . . . 13 SER N . 25713 1 93 . 1 . 1 29 29 ARG H H 1 9.659 0.001 . 1 . . . . . 14 ARG H . 25713 1 94 . 1 . 1 29 29 ARG C C 13 172.659 0.000 . 1 . . . . . 14 ARG C . 25713 1 95 . 1 . 1 29 29 ARG CA C 13 52.861 0.000 . 1 . . . . . 14 ARG CA . 25713 1 96 . 1 . 1 29 29 ARG CB C 13 29.965 0.000 . 1 . . . . . 14 ARG CB . 25713 1 97 . 1 . 1 29 29 ARG N N 15 121.285 0.026 . 1 . . . . . 14 ARG N . 25713 1 98 . 1 . 1 30 30 PRO C C 13 176.022 0.000 . 1 . . . . . 15 PRO C . 25713 1 99 . 1 . 1 31 31 GLY H H 1 8.072 0.004 . 1 . . . . . 16 GLY H . 25713 1 100 . 1 . 1 31 31 GLY CA C 13 44.662 0.034 . 1 . . . . . 16 GLY CA . 25713 1 101 . 1 . 1 31 31 GLY N N 15 107.974 0.012 . 1 . . . . . 16 GLY N . 25713 1 102 . 1 . 1 32 32 ARG H H 1 8.479 0.004 . 1 . . . . . 17 ARG H . 25713 1 103 . 1 . 1 32 32 ARG C C 13 174.373 0.000 . 1 . . . . . 17 ARG C . 25713 1 104 . 1 . 1 32 32 ARG CA C 13 54.615 0.000 . 1 . . . . . 17 ARG CA . 25713 1 105 . 1 . 1 32 32 ARG CB C 13 28.096 0.000 . 1 . . . . . 17 ARG CB . 25713 1 106 . 1 . 1 32 32 ARG N N 15 121.813 0.031 . 1 . . . . . 17 ARG N . 25713 1 107 . 1 . 1 33 33 GLY H H 1 8.829 0.003 . 1 . . . . . 18 GLY H . 25713 1 108 . 1 . 1 33 33 GLY C C 13 173.324 0.000 . 1 . . . . . 18 GLY C . 25713 1 109 . 1 . 1 33 33 GLY CA C 13 45.377 0.000 . 1 . . . . . 18 GLY CA . 25713 1 110 . 1 . 1 33 33 GLY N N 15 104.623 0.076 . 1 . . . . . 18 GLY N . 25713 1 111 . 1 . 1 34 34 GLU H H 1 8.493 0.001 . 1 . . . . . 19 GLU H . 25713 1 112 . 1 . 1 34 34 GLU C C 13 176.039 0.000 . 1 . . . . . 19 GLU C . 25713 1 113 . 1 . 1 34 34 GLU CA C 13 55.207 0.000 . 1 . . . . . 19 GLU CA . 25713 1 114 . 1 . 1 34 34 GLU CB C 13 30.517 0.000 . 1 . . . . . 19 GLU CB . 25713 1 115 . 1 . 1 34 34 GLU N N 15 120.706 0.008 . 1 . . . . . 19 GLU N . 25713 1 116 . 1 . 1 35 35 PRO C C 13 176.745 0.001 . 1 . . . . . 20 PRO C . 25713 1 117 . 1 . 1 35 35 PRO CA C 13 63.713 0.007 . 1 . . . . . 20 PRO CA . 25713 1 118 . 1 . 1 35 35 PRO CB C 13 30.512 0.000 . 1 . . . . . 20 PRO CB . 25713 1 119 . 1 . 1 36 36 ARG H H 1 8.651 0.001 . 1 . . . . . 21 ARG H . 25713 1 120 . 1 . 1 36 36 ARG C C 13 174.887 0.002 . 1 . . . . . 21 ARG C . 25713 1 121 . 1 . 1 36 36 ARG CA C 13 55.796 0.042 . 1 . . . . . 21 ARG CA . 25713 1 122 . 1 . 1 36 36 ARG CB C 13 30.953 0.085 . 1 . . . . . 21 ARG CB . 25713 1 123 . 1 . 1 36 36 ARG N N 15 126.729 0.013 . 1 . . . . . 21 ARG N . 25713 1 124 . 1 . 1 37 37 PHE H H 1 9.206 0.002 . 1 . . . . . 22 PHE H . 25713 1 125 . 1 . 1 37 37 PHE C C 13 173.285 0.010 . 1 . . . . . 22 PHE C . 25713 1 126 . 1 . 1 37 37 PHE CA C 13 56.123 0.047 . 1 . . . . . 22 PHE CA . 25713 1 127 . 1 . 1 37 37 PHE CB C 13 41.915 0.005 . 1 . . . . . 22 PHE CB . 25713 1 128 . 1 . 1 37 37 PHE N N 15 130.577 0.019 . 1 . . . . . 22 PHE N . 25713 1 129 . 1 . 1 38 38 ILE H H 1 8.730 0.001 . 1 . . . . . 23 ILE H . 25713 1 130 . 1 . 1 38 38 ILE HD11 H 1 0.984 0.002 . 1 . . . . . 23 ILE HD11 . 25713 1 131 . 1 . 1 38 38 ILE HD12 H 1 0.984 0.002 . 1 . . . . . 23 ILE HD12 . 25713 1 132 . 1 . 1 38 38 ILE HD13 H 1 0.984 0.002 . 1 . . . . . 23 ILE HD13 . 25713 1 133 . 1 . 1 38 38 ILE C C 13 176.239 0.017 . 1 . . . . . 23 ILE C . 25713 1 134 . 1 . 1 38 38 ILE CA C 13 58.999 0.119 . 1 . . . . . 23 ILE CA . 25713 1 135 . 1 . 1 38 38 ILE CB C 13 41.828 0.051 . 1 . . . . . 23 ILE CB . 25713 1 136 . 1 . 1 38 38 ILE CD1 C 13 14.680 0.044 . 1 . . . . . 23 ILE CD1 . 25713 1 137 . 1 . 1 38 38 ILE N N 15 125.804 0.014 . 1 . . . . . 23 ILE N . 25713 1 138 . 1 . 1 39 39 THR H H 1 9.226 0.004 . 1 . . . . . 24 THR H . 25713 1 139 . 1 . 1 39 39 THR C C 13 170.977 0.011 . 1 . . . . . 24 THR C . 25713 1 140 . 1 . 1 39 39 THR CA C 13 56.989 0.051 . 1 . . . . . 24 THR CA . 25713 1 141 . 1 . 1 39 39 THR CB C 13 69.391 0.001 . 1 . . . . . 24 THR CB . 25713 1 142 . 1 . 1 39 39 THR N N 15 122.399 0.021 . 1 . . . . . 24 THR N . 25713 1 143 . 1 . 1 40 40 VAL H H 1 8.075 0.004 . 1 . . . . . 25 VAL H . 25713 1 144 . 1 . 1 40 40 VAL HG11 H 1 1.136 0.003 . 2 . . . . . 25 VAL HG11 . 25713 1 145 . 1 . 1 40 40 VAL HG12 H 1 1.136 0.003 . 2 . . . . . 25 VAL HG12 . 25713 1 146 . 1 . 1 40 40 VAL HG13 H 1 1.136 0.003 . 2 . . . . . 25 VAL HG13 . 25713 1 147 . 1 . 1 40 40 VAL HG21 H 1 1.019 0.007 . 2 . . . . . 25 VAL HG21 . 25713 1 148 . 1 . 1 40 40 VAL HG22 H 1 1.019 0.007 . 2 . . . . . 25 VAL HG22 . 25713 1 149 . 1 . 1 40 40 VAL HG23 H 1 1.019 0.007 . 2 . . . . . 25 VAL HG23 . 25713 1 150 . 1 . 1 40 40 VAL C C 13 174.274 0.002 . 1 . . . . . 25 VAL C . 25713 1 151 . 1 . 1 40 40 VAL CA C 13 58.059 0.076 . 1 . . . . . 25 VAL CA . 25713 1 152 . 1 . 1 40 40 VAL CB C 13 35.134 0.037 . 1 . . . . . 25 VAL CB . 25713 1 153 . 1 . 1 40 40 VAL CG1 C 13 19.148 0.045 . 2 . . . . . 25 VAL CG1 . 25713 1 154 . 1 . 1 40 40 VAL CG2 C 13 22.570 0.066 . 2 . . . . . 25 VAL CG2 . 25713 1 155 . 1 . 1 40 40 VAL N N 15 119.981 0.051 . 1 . . . . . 25 VAL N . 25713 1 156 . 1 . 1 41 41 GLY H H 1 8.017 0.002 . 1 . . . . . 26 GLY H . 25713 1 157 . 1 . 1 41 41 GLY C C 13 171.848 0.012 . 1 . . . . . 26 GLY C . 25713 1 158 . 1 . 1 41 41 GLY CA C 13 44.571 0.023 . 1 . . . . . 26 GLY CA . 25713 1 159 . 1 . 1 41 41 GLY N N 15 108.892 0.030 . 1 . . . . . 26 GLY N . 25713 1 160 . 1 . 1 42 42 TYR H H 1 9.543 0.005 . 1 . . . . . 27 TYR H . 25713 1 161 . 1 . 1 42 42 TYR C C 13 176.903 0.008 . 1 . . . . . 27 TYR C . 25713 1 162 . 1 . 1 42 42 TYR CA C 13 57.497 0.044 . 1 . . . . . 27 TYR CA . 25713 1 163 . 1 . 1 42 42 TYR CB C 13 43.509 0.009 . 1 . . . . . 27 TYR CB . 25713 1 164 . 1 . 1 42 42 TYR N N 15 124.278 0.022 . 1 . . . . . 27 TYR N . 25713 1 165 . 1 . 1 43 43 VAL H H 1 8.954 0.003 . 1 . . . . . 28 VAL H . 25713 1 166 . 1 . 1 43 43 VAL HG11 H 1 0.754 0.004 . 2 . . . . . 28 VAL HG11 . 25713 1 167 . 1 . 1 43 43 VAL HG12 H 1 0.754 0.004 . 2 . . . . . 28 VAL HG12 . 25713 1 168 . 1 . 1 43 43 VAL HG13 H 1 0.754 0.004 . 2 . . . . . 28 VAL HG13 . 25713 1 169 . 1 . 1 43 43 VAL HG21 H 1 0.867 0.004 . 2 . . . . . 28 VAL HG21 . 25713 1 170 . 1 . 1 43 43 VAL HG22 H 1 0.867 0.004 . 2 . . . . . 28 VAL HG22 . 25713 1 171 . 1 . 1 43 43 VAL HG23 H 1 0.867 0.004 . 2 . . . . . 28 VAL HG23 . 25713 1 172 . 1 . 1 43 43 VAL C C 13 176.361 0.005 . 1 . . . . . 28 VAL C . 25713 1 173 . 1 . 1 43 43 VAL CA C 13 61.927 0.124 . 1 . . . . . 28 VAL CA . 25713 1 174 . 1 . 1 43 43 VAL CB C 13 32.394 0.073 . 1 . . . . . 28 VAL CB . 25713 1 175 . 1 . 1 43 43 VAL CG1 C 13 22.330 0.055 . 2 . . . . . 28 VAL CG1 . 25713 1 176 . 1 . 1 43 43 VAL CG2 C 13 21.789 0.056 . 2 . . . . . 28 VAL CG2 . 25713 1 177 . 1 . 1 43 43 VAL N N 15 122.612 0.038 . 1 . . . . . 28 VAL N . 25713 1 178 . 1 . 1 44 44 ASP H H 1 9.812 0.003 . 1 . . . . . 29 ASP H . 25713 1 179 . 1 . 1 44 44 ASP C C 13 175.824 0.002 . 1 . . . . . 29 ASP C . 25713 1 180 . 1 . 1 44 44 ASP CA C 13 55.881 0.065 . 1 . . . . . 29 ASP CA . 25713 1 181 . 1 . 1 44 44 ASP CB C 13 37.386 0.007 . 1 . . . . . 29 ASP CB . 25713 1 182 . 1 . 1 44 44 ASP N N 15 127.735 0.021 . 1 . . . . . 29 ASP N . 25713 1 183 . 1 . 1 45 45 ASP H H 1 6.938 0.003 . 1 . . . . . 30 ASP H . 25713 1 184 . 1 . 1 45 45 ASP C C 13 176.435 0.014 . 1 . . . . . 30 ASP C . 25713 1 185 . 1 . 1 45 45 ASP CA C 13 54.730 0.009 . 1 . . . . . 30 ASP CA . 25713 1 186 . 1 . 1 45 45 ASP CB C 13 43.067 0.052 . 1 . . . . . 30 ASP CB . 25713 1 187 . 1 . 1 45 45 ASP N N 15 120.403 0.027 . 1 . . . . . 30 ASP N . 25713 1 188 . 1 . 1 46 46 THR H H 1 9.736 0.002 . 1 . . . . . 31 THR H . 25713 1 189 . 1 . 1 46 46 THR C C 13 172.646 0.012 . 1 . . . . . 31 THR C . 25713 1 190 . 1 . 1 46 46 THR CA C 13 63.683 0.019 . 1 . . . . . 31 THR CA . 25713 1 191 . 1 . 1 46 46 THR CB C 13 70.321 0.075 . 1 . . . . . 31 THR CB . 25713 1 192 . 1 . 1 46 46 THR N N 15 121.292 0.014 . 1 . . . . . 31 THR N . 25713 1 193 . 1 . 1 47 47 LEU H H 1 8.731 0.002 . 1 . . . . . 32 LEU H . 25713 1 194 . 1 . 1 47 47 LEU HD11 H 1 0.851 0.003 . 2 . . . . . 32 LEU HD11 . 25713 1 195 . 1 . 1 47 47 LEU HD12 H 1 0.851 0.003 . 2 . . . . . 32 LEU HD12 . 25713 1 196 . 1 . 1 47 47 LEU HD13 H 1 0.851 0.003 . 2 . . . . . 32 LEU HD13 . 25713 1 197 . 1 . 1 47 47 LEU HD21 H 1 0.839 0.003 . 2 . . . . . 32 LEU HD21 . 25713 1 198 . 1 . 1 47 47 LEU HD22 H 1 0.839 0.003 . 2 . . . . . 32 LEU HD22 . 25713 1 199 . 1 . 1 47 47 LEU HD23 H 1 0.839 0.003 . 2 . . . . . 32 LEU HD23 . 25713 1 200 . 1 . 1 47 47 LEU C C 13 176.741 0.004 . 1 . . . . . 32 LEU C . 25713 1 201 . 1 . 1 47 47 LEU CA C 13 55.468 0.100 . 1 . . . . . 32 LEU CA . 25713 1 202 . 1 . 1 47 47 LEU CB C 13 41.232 0.092 . 1 . . . . . 32 LEU CB . 25713 1 203 . 1 . 1 47 47 LEU CD1 C 13 24.863 0.049 . 2 . . . . . 32 LEU CD1 . 25713 1 204 . 1 . 1 47 47 LEU CD2 C 13 26.061 0.034 . 2 . . . . . 32 LEU CD2 . 25713 1 205 . 1 . 1 47 47 LEU N N 15 134.841 0.025 . 1 . . . . . 32 LEU N . 25713 1 206 . 1 . 1 48 48 PHE H H 1 9.288 0.003 . 1 . . . . . 33 PHE H . 25713 1 207 . 1 . 1 48 48 PHE C C 13 174.740 0.004 . 1 . . . . . 33 PHE C . 25713 1 208 . 1 . 1 48 48 PHE CA C 13 56.796 0.005 . 1 . . . . . 33 PHE CA . 25713 1 209 . 1 . 1 48 48 PHE CB C 13 43.906 0.063 . 1 . . . . . 33 PHE CB . 25713 1 210 . 1 . 1 48 48 PHE N N 15 122.387 0.035 . 1 . . . . . 33 PHE N . 25713 1 211 . 1 . 1 49 49 VAL H H 1 6.812 0.002 . 1 . . . . . 34 VAL H . 25713 1 212 . 1 . 1 49 49 VAL HG11 H 1 0.217 0.004 . 2 . . . . . 34 VAL HG11 . 25713 1 213 . 1 . 1 49 49 VAL HG12 H 1 0.217 0.004 . 2 . . . . . 34 VAL HG12 . 25713 1 214 . 1 . 1 49 49 VAL HG13 H 1 0.217 0.004 . 2 . . . . . 34 VAL HG13 . 25713 1 215 . 1 . 1 49 49 VAL HG21 H 1 1.228 0.003 . 2 . . . . . 34 VAL HG21 . 25713 1 216 . 1 . 1 49 49 VAL HG22 H 1 1.228 0.003 . 2 . . . . . 34 VAL HG22 . 25713 1 217 . 1 . 1 49 49 VAL HG23 H 1 1.228 0.003 . 2 . . . . . 34 VAL HG23 . 25713 1 218 . 1 . 1 49 49 VAL C C 13 174.906 0.023 . 1 . . . . . 34 VAL C . 25713 1 219 . 1 . 1 49 49 VAL CA C 13 59.637 0.108 . 1 . . . . . 34 VAL CA . 25713 1 220 . 1 . 1 49 49 VAL CB C 13 37.761 0.057 . 1 . . . . . 34 VAL CB . 25713 1 221 . 1 . 1 49 49 VAL CG1 C 13 15.504 0.052 . 2 . . . . . 34 VAL CG1 . 25713 1 222 . 1 . 1 49 49 VAL CG2 C 13 24.338 0.044 . 2 . . . . . 34 VAL CG2 . 25713 1 223 . 1 . 1 49 49 VAL N N 15 115.300 0.016 . 1 . . . . . 34 VAL N . 25713 1 224 . 1 . 1 50 50 ARG H H 1 8.389 0.002 . 1 . . . . . 35 ARG H . 25713 1 225 . 1 . 1 50 50 ARG C C 13 174.185 0.010 . 1 . . . . . 35 ARG C . 25713 1 226 . 1 . 1 50 50 ARG CA C 13 53.613 0.051 . 1 . . . . . 35 ARG CA . 25713 1 227 . 1 . 1 50 50 ARG CB C 13 32.674 0.011 . 1 . . . . . 35 ARG CB . 25713 1 228 . 1 . 1 50 50 ARG N N 15 114.393 0.021 . 1 . . . . . 35 ARG N . 25713 1 229 . 1 . 1 51 51 PHE H H 1 9.091 0.003 . 1 . . . . . 36 PHE H . 25713 1 230 . 1 . 1 51 51 PHE C C 13 172.306 0.011 . 1 . . . . . 36 PHE C . 25713 1 231 . 1 . 1 51 51 PHE CA C 13 57.773 0.037 . 1 . . . . . 36 PHE CA . 25713 1 232 . 1 . 1 51 51 PHE CB C 13 43.451 0.036 . 1 . . . . . 36 PHE CB . 25713 1 233 . 1 . 1 51 51 PHE N N 15 123.969 0.010 . 1 . . . . . 36 PHE N . 25713 1 234 . 1 . 1 52 52 ASP H H 1 7.994 0.003 . 1 . . . . . 37 ASP H . 25713 1 235 . 1 . 1 52 52 ASP C C 13 176.526 0.005 . 1 . . . . . 37 ASP C . 25713 1 236 . 1 . 1 52 52 ASP CA C 13 51.895 0.051 . 1 . . . . . 37 ASP CA . 25713 1 237 . 1 . 1 52 52 ASP CB C 13 43.373 0.020 . 1 . . . . . 37 ASP CB . 25713 1 238 . 1 . 1 52 52 ASP N N 15 129.439 0.030 . 1 . . . . . 37 ASP N . 25713 1 239 . 1 . 1 53 53 SER H H 1 9.777 0.005 . 1 . . . . . 38 SER H . 25713 1 240 . 1 . 1 53 53 SER C C 13 175.228 0.050 . 1 . . . . . 38 SER C . 25713 1 241 . 1 . 1 53 53 SER CA C 13 61.137 0.054 . 1 . . . . . 38 SER CA . 25713 1 242 . 1 . 1 53 53 SER CB C 13 62.906 0.049 . 1 . . . . . 38 SER CB . 25713 1 243 . 1 . 1 53 53 SER N N 15 123.002 0.016 . 1 . . . . . 38 SER N . 25713 1 244 . 1 . 1 54 54 ASP H H 1 8.793 0.005 . 1 . . . . . 39 ASP H . 25713 1 245 . 1 . 1 54 54 ASP C C 13 176.684 0.007 . 1 . . . . . 39 ASP C . 25713 1 246 . 1 . 1 54 54 ASP CA C 13 53.995 0.052 . 1 . . . . . 39 ASP CA . 25713 1 247 . 1 . 1 54 54 ASP CB C 13 39.602 0.011 . 1 . . . . . 39 ASP CB . 25713 1 248 . 1 . 1 54 54 ASP N N 15 123.600 0.015 . 1 . . . . . 39 ASP N . 25713 1 249 . 1 . 1 55 55 ALA H H 1 7.655 0.002 . 1 . . . . . 40 ALA H . 25713 1 250 . 1 . 1 55 55 ALA C C 13 176.722 0.000 . 1 . . . . . 40 ALA C . 25713 1 251 . 1 . 1 55 55 ALA CA C 13 51.530 0.000 . 1 . . . . . 40 ALA CA . 25713 1 252 . 1 . 1 55 55 ALA N N 15 124.455 0.062 . 1 . . . . . 40 ALA N . 25713 1 253 . 1 . 1 56 56 ALA H H 1 8.372 0.003 . 1 . . . . . 41 ALA H . 25713 1 254 . 1 . 1 56 56 ALA C C 13 179.144 0.038 . 1 . . . . . 41 ALA C . 25713 1 255 . 1 . 1 56 56 ALA CA C 13 54.083 0.002 . 1 . . . . . 41 ALA CA . 25713 1 256 . 1 . 1 56 56 ALA CB C 13 17.564 0.065 . 1 . . . . . 41 ALA CB . 25713 1 257 . 1 . 1 56 56 ALA N N 15 123.352 0.039 . 1 . . . . . 41 ALA N . 25713 1 258 . 1 . 1 57 57 SER H H 1 8.184 0.004 . 1 . . . . . 42 SER H . 25713 1 259 . 1 . 1 57 57 SER CA C 13 54.919 0.000 . 1 . . . . . 42 SER CA . 25713 1 260 . 1 . 1 57 57 SER CB C 13 62.613 0.000 . 1 . . . . . 42 SER CB . 25713 1 261 . 1 . 1 57 57 SER N N 15 112.080 0.023 . 1 . . . . . 42 SER N . 25713 1 262 . 1 . 1 62 62 PRO C C 13 178.930 0.009 . 1 . . . . . 47 PRO C . 25713 1 263 . 1 . 1 62 62 PRO CA C 13 61.672 0.035 . 1 . . . . . 47 PRO CA . 25713 1 264 . 1 . 1 62 62 PRO CB C 13 33.272 0.000 . 1 . . . . . 47 PRO CB . 25713 1 265 . 1 . 1 63 63 ARG H H 1 8.351 0.003 . 1 . . . . . 48 ARG H . 25713 1 266 . 1 . 1 63 63 ARG C C 13 173.765 0.017 . 1 . . . . . 48 ARG C . 25713 1 267 . 1 . 1 63 63 ARG CA C 13 52.859 0.073 . 1 . . . . . 48 ARG CA . 25713 1 268 . 1 . 1 63 63 ARG CB C 13 31.994 0.056 . 1 . . . . . 48 ARG CB . 25713 1 269 . 1 . 1 63 63 ARG N N 15 118.938 0.024 . 1 . . . . . 48 ARG N . 25713 1 270 . 1 . 1 64 64 ALA H H 1 7.040 0.002 . 1 . . . . . 49 ALA H . 25713 1 271 . 1 . 1 64 64 ALA C C 13 176.676 0.000 . 1 . . . . . 49 ALA C . 25713 1 272 . 1 . 1 64 64 ALA CA C 13 49.247 0.000 . 1 . . . . . 49 ALA CA . 25713 1 273 . 1 . 1 64 64 ALA CB C 13 19.127 0.000 . 1 . . . . . 49 ALA CB . 25713 1 274 . 1 . 1 64 64 ALA N N 15 120.260 0.018 . 1 . . . . . 49 ALA N . 25713 1 275 . 1 . 1 65 65 PRO C C 13 178.697 0.016 . 1 . . . . . 50 PRO C . 25713 1 276 . 1 . 1 65 65 PRO CA C 13 64.767 0.052 . 1 . . . . . 50 PRO CA . 25713 1 277 . 1 . 1 65 65 PRO CB C 13 31.099 0.057 . 1 . . . . . 50 PRO CB . 25713 1 278 . 1 . 1 66 66 TRP H H 1 6.575 0.003 . 1 . . . . . 51 TRP H . 25713 1 279 . 1 . 1 66 66 TRP C C 13 177.505 0.002 . 1 . . . . . 51 TRP C . 25713 1 280 . 1 . 1 66 66 TRP CA C 13 55.038 0.045 . 1 . . . . . 51 TRP CA . 25713 1 281 . 1 . 1 66 66 TRP CB C 13 27.704 0.010 . 1 . . . . . 51 TRP CB . 25713 1 282 . 1 . 1 66 66 TRP N N 15 111.751 0.034 . 1 . . . . . 51 TRP N . 25713 1 283 . 1 . 1 67 67 ILE H H 1 6.703 0.003 . 1 . . . . . 52 ILE H . 25713 1 284 . 1 . 1 67 67 ILE HD11 H 1 0.963 0.000 . 1 . . . . . 52 ILE HD11 . 25713 1 285 . 1 . 1 67 67 ILE HD12 H 1 0.963 0.000 . 1 . . . . . 52 ILE HD12 . 25713 1 286 . 1 . 1 67 67 ILE HD13 H 1 0.963 0.000 . 1 . . . . . 52 ILE HD13 . 25713 1 287 . 1 . 1 67 67 ILE C C 13 176.566 0.012 . 1 . . . . . 52 ILE C . 25713 1 288 . 1 . 1 67 67 ILE CA C 13 56.830 0.100 . 1 . . . . . 52 ILE CA . 25713 1 289 . 1 . 1 67 67 ILE CB C 13 39.831 0.051 . 1 . . . . . 52 ILE CB . 25713 1 290 . 1 . 1 67 67 ILE CD1 C 13 15.973 0.043 . 1 . . . . . 52 ILE CD1 . 25713 1 291 . 1 . 1 67 67 ILE N N 15 120.822 0.035 . 1 . . . . . 52 ILE N . 25713 1 292 . 1 . 1 68 68 GLU H H 1 7.382 0.001 . 1 . . . . . 53 GLU H . 25713 1 293 . 1 . 1 68 68 GLU C C 13 176.798 0.031 . 1 . . . . . 53 GLU C . 25713 1 294 . 1 . 1 68 68 GLU CA C 13 58.958 0.077 . 1 . . . . . 53 GLU CA . 25713 1 295 . 1 . 1 68 68 GLU CB C 13 29.065 0.042 . 1 . . . . . 53 GLU CB . 25713 1 296 . 1 . 1 68 68 GLU N N 15 122.274 0.017 . 1 . . . . . 53 GLU N . 25713 1 297 . 1 . 1 69 69 GLN H H 1 7.473 0.002 . 1 . . . . . 54 GLN H . 25713 1 298 . 1 . 1 69 69 GLN C C 13 177.313 0.005 . 1 . . . . . 54 GLN C . 25713 1 299 . 1 . 1 69 69 GLN CA C 13 56.131 0.030 . 1 . . . . . 54 GLN CA . 25713 1 300 . 1 . 1 69 69 GLN CB C 13 28.360 0.012 . 1 . . . . . 54 GLN CB . 25713 1 301 . 1 . 1 69 69 GLN N N 15 112.962 0.035 . 1 . . . . . 54 GLN N . 25713 1 302 . 1 . 1 70 70 GLU H H 1 7.744 0.002 . 1 . . . . . 55 GLU H . 25713 1 303 . 1 . 1 70 70 GLU C C 13 178.293 0.009 . 1 . . . . . 55 GLU C . 25713 1 304 . 1 . 1 70 70 GLU CA C 13 56.530 0.009 . 1 . . . . . 55 GLU CA . 25713 1 305 . 1 . 1 70 70 GLU CB C 13 28.545 0.020 . 1 . . . . . 55 GLU CB . 25713 1 306 . 1 . 1 70 70 GLU N N 15 120.991 0.020 . 1 . . . . . 55 GLU N . 25713 1 307 . 1 . 1 71 71 GLY H H 1 8.807 0.003 . 1 . . . . . 56 GLY H . 25713 1 308 . 1 . 1 71 71 GLY C C 13 172.717 0.000 . 1 . . . . . 56 GLY C . 25713 1 309 . 1 . 1 71 71 GLY CA C 13 45.006 0.000 . 1 . . . . . 56 GLY CA . 25713 1 310 . 1 . 1 71 71 GLY N N 15 109.207 0.034 . 1 . . . . . 56 GLY N . 25713 1 311 . 1 . 1 72 72 PRO C C 13 179.105 0.019 . 1 . . . . . 57 PRO C . 25713 1 312 . 1 . 1 72 72 PRO CA C 13 65.597 0.038 . 1 . . . . . 57 PRO CA . 25713 1 313 . 1 . 1 72 72 PRO CB C 13 31.367 0.000 . 1 . . . . . 57 PRO CB . 25713 1 314 . 1 . 1 73 73 GLU H H 1 9.381 0.002 . 1 . . . . . 58 GLU H . 25713 1 315 . 1 . 1 73 73 GLU C C 13 179.662 0.000 . 1 . . . . . 58 GLU C . 25713 1 316 . 1 . 1 73 73 GLU CA C 13 53.477 0.000 . 1 . . . . . 58 GLU CA . 25713 1 317 . 1 . 1 73 73 GLU CB C 13 27.589 0.000 . 1 . . . . . 58 GLU CB . 25713 1 318 . 1 . 1 73 73 GLU N N 15 118.074 0.050 . 1 . . . . . 58 GLU N . 25713 1 319 . 1 . 1 74 74 TYR H H 1 8.016 0.001 . 1 . . . . . 59 TYR H . 25713 1 320 . 1 . 1 74 74 TYR C C 13 177.614 0.005 . 1 . . . . . 59 TYR C . 25713 1 321 . 1 . 1 74 74 TYR CA C 13 60.891 0.052 . 1 . . . . . 59 TYR CA . 25713 1 322 . 1 . 1 74 74 TYR CB C 13 38.155 0.014 . 1 . . . . . 59 TYR CB . 25713 1 323 . 1 . 1 74 74 TYR N N 15 124.593 0.019 . 1 . . . . . 59 TYR N . 25713 1 324 . 1 . 1 75 75 TRP H H 1 7.138 0.004 . 1 . . . . . 60 TRP H . 25713 1 325 . 1 . 1 75 75 TRP C C 13 179.593 0.005 . 1 . . . . . 60 TRP C . 25713 1 326 . 1 . 1 75 75 TRP CA C 13 58.581 0.010 . 1 . . . . . 60 TRP CA . 25713 1 327 . 1 . 1 75 75 TRP CB C 13 28.996 0.024 . 1 . . . . . 60 TRP CB . 25713 1 328 . 1 . 1 75 75 TRP N N 15 120.954 0.022 . 1 . . . . . 60 TRP N . 25713 1 329 . 1 . 1 76 76 ASP H H 1 8.957 0.002 . 1 . . . . . 61 ASP H . 25713 1 330 . 1 . 1 76 76 ASP C C 13 178.462 0.045 . 1 . . . . . 61 ASP C . 25713 1 331 . 1 . 1 76 76 ASP CA C 13 57.541 0.041 . 1 . . . . . 61 ASP CA . 25713 1 332 . 1 . 1 76 76 ASP CB C 13 40.478 0.016 . 1 . . . . . 61 ASP CB . 25713 1 333 . 1 . 1 76 76 ASP N N 15 123.023 0.067 . 1 . . . . . 61 ASP N . 25713 1 334 . 1 . 1 77 77 ARG H H 1 7.702 0.002 . 1 . . . . . 62 ARG H . 25713 1 335 . 1 . 1 77 77 ARG C C 13 178.574 0.024 . 1 . . . . . 62 ARG C . 25713 1 336 . 1 . 1 77 77 ARG CA C 13 59.608 0.029 . 1 . . . . . 62 ARG CA . 25713 1 337 . 1 . 1 77 77 ARG CB C 13 28.981 0.027 . 1 . . . . . 62 ARG CB . 25713 1 338 . 1 . 1 77 77 ARG N N 15 122.554 0.021 . 1 . . . . . 62 ARG N . 25713 1 339 . 1 . 1 78 78 GLU H H 1 8.338 0.002 . 1 . . . . . 63 GLU H . 25713 1 340 . 1 . 1 78 78 GLU C C 13 179.556 0.011 . 1 . . . . . 63 GLU C . 25713 1 341 . 1 . 1 78 78 GLU CA C 13 58.557 0.002 . 1 . . . . . 63 GLU CA . 25713 1 342 . 1 . 1 78 78 GLU CB C 13 30.886 0.000 . 1 . . . . . 63 GLU CB . 25713 1 343 . 1 . 1 78 78 GLU N N 15 117.255 0.019 . 1 . . . . . 63 GLU N . 25713 1 344 . 1 . 1 79 79 THR H H 1 8.658 0.005 . 1 . . . . . 64 THR H . 25713 1 345 . 1 . 1 79 79 THR C C 13 175.650 0.000 . 1 . . . . . 64 THR C . 25713 1 346 . 1 . 1 79 79 THR CA C 13 68.595 0.025 . 1 . . . . . 64 THR CA . 25713 1 347 . 1 . 1 79 79 THR N N 15 118.140 0.020 . 1 . . . . . 64 THR N . 25713 1 348 . 1 . 1 80 80 GLN H H 1 8.301 0.001 . 1 . . . . . 65 GLN H . 25713 1 349 . 1 . 1 80 80 GLN C C 13 179.697 0.021 . 1 . . . . . 65 GLN C . 25713 1 350 . 1 . 1 80 80 GLN CA C 13 59.367 0.048 . 1 . . . . . 65 GLN CA . 25713 1 351 . 1 . 1 80 80 GLN CB C 13 27.569 0.023 . 1 . . . . . 65 GLN CB . 25713 1 352 . 1 . 1 80 80 GLN N N 15 122.123 0.020 . 1 . . . . . 65 GLN N . 25713 1 353 . 1 . 1 81 81 ILE H H 1 8.155 0.003 . 1 . . . . . 66 ILE H . 25713 1 354 . 1 . 1 81 81 ILE C C 13 177.416 0.015 . 1 . . . . . 66 ILE C . 25713 1 355 . 1 . 1 81 81 ILE CA C 13 65.470 0.053 . 1 . . . . . 66 ILE CA . 25713 1 356 . 1 . 1 81 81 ILE CB C 13 37.062 0.000 . 1 . . . . . 66 ILE CB . 25713 1 357 . 1 . 1 81 81 ILE N N 15 122.077 0.039 . 1 . . . . . 66 ILE N . 25713 1 358 . 1 . 1 82 82 CYS H H 1 8.173 0.005 . 1 . . . . . 67 CYS H . 25713 1 359 . 1 . 1 82 82 CYS C C 13 176.187 0.018 . 1 . . . . . 67 CYS C . 25713 1 360 . 1 . 1 82 82 CYS CA C 13 65.516 0.031 . 1 . . . . . 67 CYS CA . 25713 1 361 . 1 . 1 82 82 CYS CB C 13 25.302 0.046 . 1 . . . . . 67 CYS CB . 25713 1 362 . 1 . 1 82 82 CYS N N 15 118.364 0.033 . 1 . . . . . 67 CYS N . 25713 1 363 . 1 . 1 83 83 LYS H H 1 8.020 0.004 . 1 . . . . . 68 LYS H . 25713 1 364 . 1 . 1 83 83 LYS C C 13 179.448 0.018 . 1 . . . . . 68 LYS C . 25713 1 365 . 1 . 1 83 83 LYS CA C 13 59.601 0.013 . 1 . . . . . 68 LYS CA . 25713 1 366 . 1 . 1 83 83 LYS CB C 13 31.735 0.048 . 1 . . . . . 68 LYS CB . 25713 1 367 . 1 . 1 83 83 LYS N N 15 117.431 0.030 . 1 . . . . . 68 LYS N . 25713 1 368 . 1 . 1 84 84 ALA H H 1 8.040 0.001 . 1 . . . . . 69 ALA H . 25713 1 369 . 1 . 1 84 84 ALA C C 13 180.878 0.004 . 1 . . . . . 69 ALA C . 25713 1 370 . 1 . 1 84 84 ALA CA C 13 54.379 0.001 . 1 . . . . . 69 ALA CA . 25713 1 371 . 1 . 1 84 84 ALA CB C 13 17.191 0.048 . 1 . . . . . 69 ALA CB . 25713 1 372 . 1 . 1 84 84 ALA N N 15 124.185 0.018 . 1 . . . . . 69 ALA N . 25713 1 373 . 1 . 1 85 85 LYS H H 1 8.938 0.002 . 1 . . . . . 70 LYS H . 25713 1 374 . 1 . 1 85 85 LYS CA C 13 57.536 0.007 . 1 . . . . . 70 LYS CA . 25713 1 375 . 1 . 1 85 85 LYS N N 15 123.578 0.024 . 1 . . . . . 70 LYS N . 25713 1 376 . 1 . 1 86 86 ALA H H 1 7.768 0.003 . 1 . . . . . 71 ALA H . 25713 1 377 . 1 . 1 86 86 ALA C C 13 181.117 0.009 . 1 . . . . . 71 ALA C . 25713 1 378 . 1 . 1 86 86 ALA CA C 13 54.957 0.011 . 1 . . . . . 71 ALA CA . 25713 1 379 . 1 . 1 86 86 ALA CB C 13 16.591 0.046 . 1 . . . . . 71 ALA CB . 25713 1 380 . 1 . 1 86 86 ALA N N 15 122.787 0.058 . 1 . . . . . 71 ALA N . 25713 1 381 . 1 . 1 87 87 GLN H H 1 7.470 0.003 . 1 . . . . . 72 GLN H . 25713 1 382 . 1 . 1 87 87 GLN C C 13 178.506 0.027 . 1 . . . . . 72 GLN C . 25713 1 383 . 1 . 1 87 87 GLN CA C 13 58.697 0.037 . 1 . . . . . 72 GLN CA . 25713 1 384 . 1 . 1 87 87 GLN CB C 13 27.400 0.029 . 1 . . . . . 72 GLN CB . 25713 1 385 . 1 . 1 87 87 GLN N N 15 117.302 0.022 . 1 . . . . . 72 GLN N . 25713 1 386 . 1 . 1 88 88 THR H H 1 8.388 0.003 . 1 . . . . . 73 THR H . 25713 1 387 . 1 . 1 88 88 THR C C 13 178.503 0.000 . 1 . . . . . 73 THR C . 25713 1 388 . 1 . 1 88 88 THR CA C 13 67.141 0.000 . 1 . . . . . 73 THR CA . 25713 1 389 . 1 . 1 88 88 THR CB C 13 68.129 0.000 . 1 . . . . . 73 THR CB . 25713 1 390 . 1 . 1 88 88 THR N N 15 119.701 0.035 . 1 . . . . . 73 THR N . 25713 1 391 . 1 . 1 89 89 ASP H H 1 8.656 0.005 . 1 . . . . . 74 ASP H . 25713 1 392 . 1 . 1 89 89 ASP C C 13 178.553 0.014 . 1 . . . . . 74 ASP C . 25713 1 393 . 1 . 1 89 89 ASP CA C 13 56.992 0.048 . 1 . . . . . 74 ASP CA . 25713 1 394 . 1 . 1 89 89 ASP CB C 13 39.466 0.019 . 1 . . . . . 74 ASP CB . 25713 1 395 . 1 . 1 89 89 ASP N N 15 122.467 0.012 . 1 . . . . . 74 ASP N . 25713 1 396 . 1 . 1 90 90 ARG H H 1 7.795 0.004 . 1 . . . . . 75 ARG H . 25713 1 397 . 1 . 1 90 90 ARG C C 13 179.549 0.010 . 1 . . . . . 75 ARG C . 25713 1 398 . 1 . 1 90 90 ARG CA C 13 60.236 0.022 . 1 . . . . . 75 ARG CA . 25713 1 399 . 1 . 1 90 90 ARG CB C 13 29.252 0.030 . 1 . . . . . 75 ARG CB . 25713 1 400 . 1 . 1 90 90 ARG N N 15 119.570 0.029 . 1 . . . . . 75 ARG N . 25713 1 401 . 1 . 1 91 91 GLU H H 1 7.606 0.003 . 1 . . . . . 76 GLU H . 25713 1 402 . 1 . 1 91 91 GLU C C 13 179.008 0.091 . 1 . . . . . 76 GLU C . 25713 1 403 . 1 . 1 91 91 GLU CA C 13 58.582 0.033 . 1 . . . . . 76 GLU CA . 25713 1 404 . 1 . 1 91 91 GLU CB C 13 28.492 0.008 . 1 . . . . . 76 GLU CB . 25713 1 405 . 1 . 1 91 91 GLU N N 15 120.599 0.041 . 1 . . . . . 76 GLU N . 25713 1 406 . 1 . 1 92 92 ASP H H 1 9.282 0.010 . 1 . . . . . 77 ASP H . 25713 1 407 . 1 . 1 92 92 ASP C C 13 178.709 0.017 . 1 . . . . . 77 ASP C . 25713 1 408 . 1 . 1 92 92 ASP CA C 13 57.479 0.043 . 1 . . . . . 77 ASP CA . 25713 1 409 . 1 . 1 92 92 ASP CB C 13 40.537 0.022 . 1 . . . . . 77 ASP CB . 25713 1 410 . 1 . 1 92 92 ASP N N 15 123.523 0.048 . 1 . . . . . 77 ASP N . 25713 1 411 . 1 . 1 93 93 LEU H H 1 8.824 0.002 . 1 . . . . . 78 LEU H . 25713 1 412 . 1 . 1 93 93 LEU HD11 H 1 1.143 0.003 . 1 . . . . . 78 LEU HD11 . 25713 1 413 . 1 . 1 93 93 LEU HD12 H 1 1.143 0.003 . 1 . . . . . 78 LEU HD12 . 25713 1 414 . 1 . 1 93 93 LEU HD13 H 1 1.143 0.003 . 1 . . . . . 78 LEU HD13 . 25713 1 415 . 1 . 1 93 93 LEU C C 13 180.285 0.003 . 1 . . . . . 78 LEU C . 25713 1 416 . 1 . 1 93 93 LEU CA C 13 58.424 0.146 . 1 . . . . . 78 LEU CA . 25713 1 417 . 1 . 1 93 93 LEU CB C 13 41.175 0.033 . 1 . . . . . 78 LEU CB . 25713 1 418 . 1 . 1 93 93 LEU CD1 C 13 24.268 0.040 . 1 . . . . . 78 LEU CD1 . 25713 1 419 . 1 . 1 93 93 LEU N N 15 120.520 0.029 . 1 . . . . . 78 LEU N . 25713 1 420 . 1 . 1 94 94 ARG H H 1 7.138 0.002 . 1 . . . . . 79 ARG H . 25713 1 421 . 1 . 1 94 94 ARG C C 13 179.510 0.001 . 1 . . . . . 79 ARG C . 25713 1 422 . 1 . 1 94 94 ARG CA C 13 59.175 0.015 . 1 . . . . . 79 ARG CA . 25713 1 423 . 1 . 1 94 94 ARG CB C 13 28.500 0.034 . 1 . . . . . 79 ARG CB . 25713 1 424 . 1 . 1 94 94 ARG N N 15 119.199 0.025 . 1 . . . . . 79 ARG N . 25713 1 425 . 1 . 1 95 95 THR H H 1 8.408 0.003 . 1 . . . . . 80 THR H . 25713 1 426 . 1 . 1 95 95 THR C C 13 176.132 0.011 . 1 . . . . . 80 THR C . 25713 1 427 . 1 . 1 95 95 THR CA C 13 65.536 0.010 . 1 . . . . . 80 THR CA . 25713 1 428 . 1 . 1 95 95 THR CB C 13 67.436 0.044 . 1 . . . . . 80 THR CB . 25713 1 429 . 1 . 1 95 95 THR N N 15 121.616 0.043 . 1 . . . . . 80 THR N . 25713 1 430 . 1 . 1 96 96 LEU H H 1 8.306 0.005 . 1 . . . . . 81 LEU H . 25713 1 431 . 1 . 1 96 96 LEU HD11 H 1 0.140 0.003 . 1 . . . . . 81 LEU HD11 . 25713 1 432 . 1 . 1 96 96 LEU HD12 H 1 0.140 0.003 . 1 . . . . . 81 LEU HD12 . 25713 1 433 . 1 . 1 96 96 LEU HD13 H 1 0.140 0.003 . 1 . . . . . 81 LEU HD13 . 25713 1 434 . 1 . 1 96 96 LEU C C 13 178.720 0.006 . 1 . . . . . 81 LEU C . 25713 1 435 . 1 . 1 96 96 LEU CA C 13 58.436 0.100 . 1 . . . . . 81 LEU CA . 25713 1 436 . 1 . 1 96 96 LEU CB C 13 39.827 0.069 . 1 . . . . . 81 LEU CB . 25713 1 437 . 1 . 1 96 96 LEU CD1 C 13 23.108 0.040 . 1 . . . . . 81 LEU CD1 . 25713 1 438 . 1 . 1 96 96 LEU N N 15 122.087 0.046 . 1 . . . . . 81 LEU N . 25713 1 439 . 1 . 1 97 97 LEU H H 1 7.167 0.002 . 1 . . . . . 82 LEU H . 25713 1 440 . 1 . 1 97 97 LEU HD11 H 1 0.713 0.002 . 1 . . . . . 82 LEU HD11 . 25713 1 441 . 1 . 1 97 97 LEU HD12 H 1 0.713 0.002 . 1 . . . . . 82 LEU HD12 . 25713 1 442 . 1 . 1 97 97 LEU HD13 H 1 0.713 0.002 . 1 . . . . . 82 LEU HD13 . 25713 1 443 . 1 . 1 97 97 LEU C C 13 180.603 0.006 . 1 . . . . . 82 LEU C . 25713 1 444 . 1 . 1 97 97 LEU CA C 13 57.978 0.015 . 1 . . . . . 82 LEU CA . 25713 1 445 . 1 . 1 97 97 LEU CB C 13 40.578 0.075 . 1 . . . . . 82 LEU CB . 25713 1 446 . 1 . 1 97 97 LEU CD1 C 13 23.074 0.033 . 2 . . . . . 82 LEU CD1 . 25713 1 447 . 1 . 1 97 97 LEU CD2 C 13 23.051 0.000 . 2 . . . . . 82 LEU CD2 . 25713 1 448 . 1 . 1 97 97 LEU N N 15 117.013 0.077 . 1 . . . . . 82 LEU N . 25713 1 449 . 1 . 1 98 98 ARG H H 1 7.196 0.003 . 1 . . . . . 83 ARG H . 25713 1 450 . 1 . 1 98 98 ARG C C 13 180.782 0.042 . 1 . . . . . 83 ARG C . 25713 1 451 . 1 . 1 98 98 ARG CA C 13 58.321 0.019 . 1 . . . . . 83 ARG CA . 25713 1 452 . 1 . 1 98 98 ARG CB C 13 28.712 0.004 . 1 . . . . . 83 ARG CB . 25713 1 453 . 1 . 1 98 98 ARG N N 15 117.402 0.023 . 1 . . . . . 83 ARG N . 25713 1 454 . 1 . 1 99 99 TYR H H 1 8.720 0.003 . 1 . . . . . 84 TYR H . 25713 1 455 . 1 . 1 99 99 TYR C C 13 179.245 0.006 . 1 . . . . . 84 TYR C . 25713 1 456 . 1 . 1 99 99 TYR CA C 13 57.153 0.058 . 1 . . . . . 84 TYR CA . 25713 1 457 . 1 . 1 99 99 TYR CB C 13 36.334 0.035 . 1 . . . . . 84 TYR CB . 25713 1 458 . 1 . 1 99 99 TYR N N 15 120.852 0.040 . 1 . . . . . 84 TYR N . 25713 1 459 . 1 . 1 100 100 TYR H H 1 8.104 0.003 . 1 . . . . . 85 TYR H . 25713 1 460 . 1 . 1 100 100 TYR C C 13 175.180 0.001 . 1 . . . . . 85 TYR C . 25713 1 461 . 1 . 1 100 100 TYR CA C 13 59.148 0.073 . 1 . . . . . 85 TYR CA . 25713 1 462 . 1 . 1 100 100 TYR CB C 13 37.394 0.004 . 1 . . . . . 85 TYR CB . 25713 1 463 . 1 . 1 100 100 TYR N N 15 113.469 0.027 . 1 . . . . . 85 TYR N . 25713 1 464 . 1 . 1 101 101 ASN H H 1 7.951 0.002 . 1 . . . . . 86 ASN H . 25713 1 465 . 1 . 1 101 101 ASN C C 13 174.897 0.010 . 1 . . . . . 86 ASN C . 25713 1 466 . 1 . 1 101 101 ASN CA C 13 54.279 0.008 . 1 . . . . . 86 ASN CA . 25713 1 467 . 1 . 1 101 101 ASN CB C 13 36.801 0.007 . 1 . . . . . 86 ASN CB . 25713 1 468 . 1 . 1 101 101 ASN N N 15 121.338 0.016 . 1 . . . . . 86 ASN N . 25713 1 469 . 1 . 1 102 102 GLN H H 1 8.962 0.001 . 1 . . . . . 87 GLN H . 25713 1 470 . 1 . 1 102 102 GLN N N 15 118.510 0.018 . 1 . . . . . 87 GLN N . 25713 1 471 . 1 . 1 105 105 ALA C C 13 178.018 0.000 . 1 . . . . . 90 ALA C . 25713 1 472 . 1 . 1 106 106 GLY H H 1 7.532 0.002 . 1 . . . . . 91 GLY H . 25713 1 473 . 1 . 1 106 106 GLY C C 13 172.470 0.001 . 1 . . . . . 91 GLY C . 25713 1 474 . 1 . 1 106 106 GLY CA C 13 44.003 0.041 . 1 . . . . . 91 GLY CA . 25713 1 475 . 1 . 1 106 106 GLY N N 15 105.789 0.008 . 1 . . . . . 91 GLY N . 25713 1 476 . 1 . 1 107 107 SER H H 1 8.038 0.003 . 1 . . . . . 92 SER H . 25713 1 477 . 1 . 1 107 107 SER C C 13 174.786 0.013 . 1 . . . . . 92 SER C . 25713 1 478 . 1 . 1 107 107 SER CA C 13 57.163 0.073 . 1 . . . . . 92 SER CA . 25713 1 479 . 1 . 1 107 107 SER CB C 13 63.592 0.050 . 1 . . . . . 92 SER CB . 25713 1 480 . 1 . 1 107 107 SER N N 15 115.261 0.032 . 1 . . . . . 92 SER N . 25713 1 481 . 1 . 1 108 108 HIS H H 1 8.543 0.002 . 1 . . . . . 93 HIS H . 25713 1 482 . 1 . 1 108 108 HIS C C 13 173.216 0.016 . 1 . . . . . 93 HIS C . 25713 1 483 . 1 . 1 108 108 HIS CA C 13 54.666 0.019 . 1 . . . . . 93 HIS CA . 25713 1 484 . 1 . 1 108 108 HIS CB C 13 33.147 0.005 . 1 . . . . . 93 HIS CB . 25713 1 485 . 1 . 1 108 108 HIS N N 15 124.348 0.023 . 1 . . . . . 93 HIS N . 25713 1 486 . 1 . 1 109 109 THR H H 1 8.632 0.003 . 1 . . . . . 94 THR H . 25713 1 487 . 1 . 1 109 109 THR CA C 13 61.719 0.040 . 1 . . . . . 94 THR CA . 25713 1 488 . 1 . 1 109 109 THR CB C 13 70.558 0.007 . 1 . . . . . 94 THR CB . 25713 1 489 . 1 . 1 109 109 THR N N 15 114.325 0.019 . 1 . . . . . 94 THR N . 25713 1 490 . 1 . 1 110 110 LEU H H 1 9.972 0.035 . 1 . . . . . 95 LEU H . 25713 1 491 . 1 . 1 110 110 LEU CA C 13 53.747 0.000 . 1 . . . . . 95 LEU CA . 25713 1 492 . 1 . 1 110 110 LEU CB C 13 45.871 0.000 . 1 . . . . . 95 LEU CB . 25713 1 493 . 1 . 1 110 110 LEU N N 15 131.166 0.221 . 1 . . . . . 95 LEU N . 25713 1 494 . 1 . 1 111 111 GLN H H 1 9.197 0.003 . 1 . . . . . 96 GLN H . 25713 1 495 . 1 . 1 111 111 GLN C C 13 174.934 0.066 . 1 . . . . . 96 GLN C . 25713 1 496 . 1 . 1 111 111 GLN CB C 13 36.270 0.059 . 1 . . . . . 96 GLN CB . 25713 1 497 . 1 . 1 111 111 GLN N N 15 125.337 0.043 . 1 . . . . . 96 GLN N . 25713 1 498 . 1 . 1 112 112 ASN H H 1 9.360 0.003 . 1 . . . . . 97 ASN H . 25713 1 499 . 1 . 1 112 112 ASN C C 13 174.794 0.011 . 1 . . . . . 97 ASN C . 25713 1 500 . 1 . 1 112 112 ASN CA C 13 52.284 0.047 . 1 . . . . . 97 ASN CA . 25713 1 501 . 1 . 1 112 112 ASN CB C 13 43.883 0.000 . 1 . . . . . 97 ASN CB . 25713 1 502 . 1 . 1 112 112 ASN N N 15 117.694 0.026 . 1 . . . . . 97 ASN N . 25713 1 503 . 1 . 1 113 113 MET H H 1 9.652 0.003 . 1 . . . . . 98 MET H . 25713 1 504 . 1 . 1 113 113 MET C C 13 174.255 0.003 . 1 . . . . . 98 MET C . 25713 1 505 . 1 . 1 113 113 MET CA C 13 53.888 0.015 . 1 . . . . . 98 MET CA . 25713 1 506 . 1 . 1 113 113 MET CB C 13 35.994 0.071 . 1 . . . . . 98 MET CB . 25713 1 507 . 1 . 1 113 113 MET N N 15 132.444 0.038 . 1 . . . . . 98 MET N . 25713 1 508 . 1 . 1 114 114 TYR H H 1 8.532 0.003 . 1 . . . . . 99 TYR H . 25713 1 509 . 1 . 1 114 114 TYR C C 13 173.169 0.020 . 1 . . . . . 99 TYR C . 25713 1 510 . 1 . 1 114 114 TYR CA C 13 57.544 0.067 . 1 . . . . . 99 TYR CA . 25713 1 511 . 1 . 1 114 114 TYR CB C 13 41.728 0.023 . 1 . . . . . 99 TYR CB . 25713 1 512 . 1 . 1 114 114 TYR N N 15 119.425 0.036 . 1 . . . . . 99 TYR N . 25713 1 513 . 1 . 1 115 115 GLY H H 1 8.733 0.003 . 1 . . . . . 100 GLY H . 25713 1 514 . 1 . 1 115 115 GLY C C 13 170.508 0.003 . 1 . . . . . 100 GLY C . 25713 1 515 . 1 . 1 115 115 GLY CA C 13 45.540 0.020 . 1 . . . . . 100 GLY CA . 25713 1 516 . 1 . 1 115 115 GLY N N 15 105.061 0.044 . 1 . . . . . 100 GLY N . 25713 1 517 . 1 . 1 116 116 CYS H H 1 8.936 0.003 . 1 . . . . . 101 CYS H . 25713 1 518 . 1 . 1 116 116 CYS C C 13 171.780 0.024 . 1 . . . . . 101 CYS C . 25713 1 519 . 1 . 1 116 116 CYS CA C 13 53.085 0.049 . 1 . . . . . 101 CYS CA . 25713 1 520 . 1 . 1 116 116 CYS CB C 13 48.937 0.023 . 1 . . . . . 101 CYS CB . 25713 1 521 . 1 . 1 116 116 CYS N N 15 111.718 0.018 . 1 . . . . . 101 CYS N . 25713 1 522 . 1 . 1 117 117 ASP H H 1 9.015 0.003 . 1 . . . . . 102 ASP H . 25713 1 523 . 1 . 1 117 117 ASP C C 13 176.253 0.005 . 1 . . . . . 102 ASP C . 25713 1 524 . 1 . 1 117 117 ASP CA C 13 52.359 0.023 . 1 . . . . . 102 ASP CA . 25713 1 525 . 1 . 1 117 117 ASP CB C 13 42.205 0.009 . 1 . . . . . 102 ASP CB . 25713 1 526 . 1 . 1 117 117 ASP N N 15 121.613 0.026 . 1 . . . . . 102 ASP N . 25713 1 527 . 1 . 1 118 118 VAL H H 1 9.530 0.005 . 1 . . . . . 103 VAL H . 25713 1 528 . 1 . 1 118 118 VAL HG11 H 1 0.983 0.005 . 2 . . . . . 103 VAL HG11 . 25713 1 529 . 1 . 1 118 118 VAL HG12 H 1 0.983 0.005 . 2 . . . . . 103 VAL HG12 . 25713 1 530 . 1 . 1 118 118 VAL HG13 H 1 0.983 0.005 . 2 . . . . . 103 VAL HG13 . 25713 1 531 . 1 . 1 118 118 VAL HG21 H 1 0.984 0.002 . 2 . . . . . 103 VAL HG21 . 25713 1 532 . 1 . 1 118 118 VAL HG22 H 1 0.984 0.002 . 2 . . . . . 103 VAL HG22 . 25713 1 533 . 1 . 1 118 118 VAL HG23 H 1 0.984 0.002 . 2 . . . . . 103 VAL HG23 . 25713 1 534 . 1 . 1 118 118 VAL C C 13 175.396 0.013 . 1 . . . . . 103 VAL C . 25713 1 535 . 1 . 1 118 118 VAL CA C 13 59.531 0.101 . 1 . . . . . 103 VAL CA . 25713 1 536 . 1 . 1 118 118 VAL CB C 13 34.677 0.043 . 1 . . . . . 103 VAL CB . 25713 1 537 . 1 . 1 118 118 VAL CG1 C 13 20.655 0.004 . 2 . . . . . 103 VAL CG1 . 25713 1 538 . 1 . 1 118 118 VAL CG2 C 13 21.267 0.043 . 2 . . . . . 103 VAL CG2 . 25713 1 539 . 1 . 1 118 118 VAL N N 15 121.265 0.078 . 1 . . . . . 103 VAL N . 25713 1 540 . 1 . 1 119 119 GLY H H 1 8.530 0.001 . 1 . . . . . 104 GLY H . 25713 1 541 . 1 . 1 119 119 GLY CA C 13 44.204 0.000 . 1 . . . . . 104 GLY CA . 25713 1 542 . 1 . 1 119 119 GLY N N 15 111.367 0.027 . 1 . . . . . 104 GLY N . 25713 1 543 . 1 . 1 120 120 PRO C C 13 176.908 0.012 . 1 . . . . . 105 PRO C . 25713 1 544 . 1 . 1 120 120 PRO CA C 13 64.519 0.037 . 1 . . . . . 105 PRO CA . 25713 1 545 . 1 . 1 120 120 PRO CB C 13 31.045 0.045 . 1 . . . . . 105 PRO CB . 25713 1 546 . 1 . 1 121 121 ASP H H 1 8.075 0.001 . 1 . . . . . 106 ASP H . 25713 1 547 . 1 . 1 121 121 ASP C C 13 177.377 0.002 . 1 . . . . . 106 ASP C . 25713 1 548 . 1 . 1 121 121 ASP CA C 13 52.651 0.000 . 1 . . . . . 106 ASP CA . 25713 1 549 . 1 . 1 121 121 ASP CB C 13 39.644 0.000 . 1 . . . . . 106 ASP CB . 25713 1 550 . 1 . 1 121 121 ASP N N 15 115.684 0.014 . 1 . . . . . 106 ASP N . 25713 1 551 . 1 . 1 122 122 GLY H H 1 8.406 0.002 . 1 . . . . . 107 GLY H . 25713 1 552 . 1 . 1 122 122 GLY C C 13 173.316 0.016 . 1 . . . . . 107 GLY C . 25713 1 553 . 1 . 1 122 122 GLY CA C 13 45.232 0.019 . 1 . . . . . 107 GLY CA . 25713 1 554 . 1 . 1 122 122 GLY N N 15 108.766 0.024 . 1 . . . . . 107 GLY N . 25713 1 555 . 1 . 1 123 123 ARG H H 1 7.546 0.001 . 1 . . . . . 108 ARG H . 25713 1 556 . 1 . 1 123 123 ARG C C 13 176.407 0.006 . 1 . . . . . 108 ARG C . 25713 1 557 . 1 . 1 123 123 ARG CA C 13 54.644 0.011 . 1 . . . . . 108 ARG CA . 25713 1 558 . 1 . 1 123 123 ARG CB C 13 30.638 0.012 . 1 . . . . . 108 ARG CB . 25713 1 559 . 1 . 1 123 123 ARG N N 15 118.835 0.006 . 1 . . . . . 108 ARG N . 25713 1 560 . 1 . 1 124 124 LEU H H 1 8.714 0.003 . 1 . . . . . 109 LEU H . 25713 1 561 . 1 . 1 124 124 LEU C C 13 176.685 0.013 . 1 . . . . . 109 LEU C . 25713 1 562 . 1 . 1 124 124 LEU CB C 13 41.328 0.016 . 1 . . . . . 109 LEU CB . 25713 1 563 . 1 . 1 124 124 LEU N N 15 122.673 0.011 . 1 . . . . . 109 LEU N . 25713 1 564 . 1 . 1 125 125 LEU H H 1 9.436 0.002 . 1 . . . . . 110 LEU H . 25713 1 565 . 1 . 1 125 125 LEU C C 13 177.415 0.003 . 1 . . . . . 110 LEU C . 25713 1 566 . 1 . 1 125 125 LEU CA C 13 55.439 0.041 . 1 . . . . . 110 LEU CA . 25713 1 567 . 1 . 1 125 125 LEU CB C 13 43.251 0.002 . 1 . . . . . 110 LEU CB . 25713 1 568 . 1 . 1 125 125 LEU N N 15 130.054 0.021 . 1 . . . . . 110 LEU N . 25713 1 569 . 1 . 1 126 126 ARG H H 1 7.313 0.004 . 1 . . . . . 111 ARG H . 25713 1 570 . 1 . 1 126 126 ARG C C 13 174.164 0.005 . 1 . . . . . 111 ARG C . 25713 1 571 . 1 . 1 126 126 ARG CB C 13 33.146 0.024 . 1 . . . . . 111 ARG CB . 25713 1 572 . 1 . 1 126 126 ARG N N 15 116.350 0.031 . 1 . . . . . 111 ARG N . 25713 1 573 . 1 . 1 127 127 GLY H H 1 8.575 0.003 . 1 . . . . . 112 GLY H . 25713 1 574 . 1 . 1 127 127 GLY C C 13 170.450 0.008 . 1 . . . . . 112 GLY C . 25713 1 575 . 1 . 1 127 127 GLY CA C 13 43.501 0.016 . 1 . . . . . 112 GLY CA . 25713 1 576 . 1 . 1 127 127 GLY N N 15 110.452 0.018 . 1 . . . . . 112 GLY N . 25713 1 577 . 1 . 1 128 128 TYR H H 1 8.521 0.002 . 1 . . . . . 113 TYR H . 25713 1 578 . 1 . 1 128 128 TYR C C 13 177.108 0.004 . 1 . . . . . 113 TYR C . 25713 1 579 . 1 . 1 128 128 TYR CA C 13 56.341 0.042 . 1 . . . . . 113 TYR CA . 25713 1 580 . 1 . 1 128 128 TYR CB C 13 42.261 0.035 . 1 . . . . . 113 TYR CB . 25713 1 581 . 1 . 1 128 128 TYR N N 15 116.783 0.033 . 1 . . . . . 113 TYR N . 25713 1 582 . 1 . 1 129 129 HIS H H 1 9.973 0.003 . 1 . . . . . 114 HIS H . 25713 1 583 . 1 . 1 129 129 HIS C C 13 173.729 0.014 . 1 . . . . . 114 HIS C . 25713 1 584 . 1 . 1 129 129 HIS CA C 13 58.941 0.077 . 1 . . . . . 114 HIS CA . 25713 1 585 . 1 . 1 129 129 HIS CB C 13 29.907 0.085 . 1 . . . . . 114 HIS CB . 25713 1 586 . 1 . 1 129 129 HIS N N 15 119.413 0.041 . 1 . . . . . 114 HIS N . 25713 1 587 . 1 . 1 130 130 GLN H H 1 9.843 0.005 . 1 . . . . . 115 GLN H . 25713 1 588 . 1 . 1 130 130 GLN C C 13 175.380 0.006 . 1 . . . . . 115 GLN C . 25713 1 589 . 1 . 1 130 130 GLN CA C 13 55.647 0.000 . 1 . . . . . 115 GLN CA . 25713 1 590 . 1 . 1 130 130 GLN N N 15 125.330 0.031 . 1 . . . . . 115 GLN N . 25713 1 591 . 1 . 1 131 131 HIS H H 1 9.565 0.004 . 1 . . . . . 116 HIS H . 25713 1 592 . 1 . 1 131 131 HIS C C 13 175.746 0.011 . 1 . . . . . 116 HIS C . 25713 1 593 . 1 . 1 131 131 HIS CA C 13 56.946 0.052 . 1 . . . . . 116 HIS CA . 25713 1 594 . 1 . 1 131 131 HIS CB C 13 37.607 0.035 . 1 . . . . . 116 HIS CB . 25713 1 595 . 1 . 1 131 131 HIS N N 15 124.240 0.043 . 1 . . . . . 116 HIS N . 25713 1 596 . 1 . 1 132 132 ALA H H 1 8.896 0.003 . 1 . . . . . 117 ALA H . 25713 1 597 . 1 . 1 132 132 ALA C C 13 175.386 0.003 . 1 . . . . . 117 ALA C . 25713 1 598 . 1 . 1 132 132 ALA CA C 13 51.171 0.042 . 1 . . . . . 117 ALA CA . 25713 1 599 . 1 . 1 132 132 ALA CB C 13 19.523 0.044 . 1 . . . . . 117 ALA CB . 25713 1 600 . 1 . 1 132 132 ALA N N 15 124.792 0.017 . 1 . . . . . 117 ALA N . 25713 1 601 . 1 . 1 133 133 TYR H H 1 8.609 0.006 . 1 . . . . . 118 TYR H . 25713 1 602 . 1 . 1 133 133 TYR C C 13 175.070 0.005 . 1 . . . . . 118 TYR C . 25713 1 603 . 1 . 1 133 133 TYR CA C 13 54.561 0.024 . 1 . . . . . 118 TYR CA . 25713 1 604 . 1 . 1 133 133 TYR CB C 13 40.367 0.005 . 1 . . . . . 118 TYR CB . 25713 1 605 . 1 . 1 133 133 TYR N N 15 122.452 0.075 . 1 . . . . . 118 TYR N . 25713 1 606 . 1 . 1 134 134 ASP H H 1 9.715 0.003 . 1 . . . . . 119 ASP H . 25713 1 607 . 1 . 1 134 134 ASP C C 13 174.653 0.022 . 1 . . . . . 119 ASP C . 25713 1 608 . 1 . 1 134 134 ASP CB C 13 38.388 0.003 . 1 . . . . . 119 ASP CB . 25713 1 609 . 1 . 1 134 134 ASP N N 15 129.438 0.035 . 1 . . . . . 119 ASP N . 25713 1 610 . 1 . 1 135 135 GLY H H 1 9.326 0.002 . 1 . . . . . 120 GLY H . 25713 1 611 . 1 . 1 135 135 GLY C C 13 171.959 0.028 . 1 . . . . . 120 GLY C . 25713 1 612 . 1 . 1 135 135 GLY CA C 13 44.045 0.030 . 1 . . . . . 120 GLY CA . 25713 1 613 . 1 . 1 135 135 GLY N N 15 102.266 0.028 . 1 . . . . . 120 GLY N . 25713 1 614 . 1 . 1 136 136 LYS H H 1 7.403 0.004 . 1 . . . . . 121 LYS H . 25713 1 615 . 1 . 1 136 136 LYS C C 13 174.904 0.002 . 1 . . . . . 121 LYS C . 25713 1 616 . 1 . 1 136 136 LYS CA C 13 53.660 0.046 . 1 . . . . . 121 LYS CA . 25713 1 617 . 1 . 1 136 136 LYS CB C 13 34.139 0.011 . 1 . . . . . 121 LYS CB . 25713 1 618 . 1 . 1 136 136 LYS N N 15 119.174 0.017 . 1 . . . . . 121 LYS N . 25713 1 619 . 1 . 1 137 137 ASP H H 1 8.489 0.001 . 1 . . . . . 122 ASP H . 25713 1 620 . 1 . 1 137 137 ASP C C 13 173.998 0.010 . 1 . . . . . 122 ASP C . 25713 1 621 . 1 . 1 137 137 ASP CA C 13 54.641 0.000 . 1 . . . . . 122 ASP CA . 25713 1 622 . 1 . 1 137 137 ASP CB C 13 41.257 0.042 . 1 . . . . . 122 ASP CB . 25713 1 623 . 1 . 1 137 137 ASP N N 15 122.043 0.018 . 1 . . . . . 122 ASP N . 25713 1 624 . 1 . 1 138 138 TYR H H 1 8.632 0.003 . 1 . . . . . 123 TYR H . 25713 1 625 . 1 . 1 138 138 TYR C C 13 172.155 0.004 . 1 . . . . . 123 TYR C . 25713 1 626 . 1 . 1 138 138 TYR CA C 13 60.050 0.066 . 1 . . . . . 123 TYR CA . 25713 1 627 . 1 . 1 138 138 TYR CB C 13 40.725 0.065 . 1 . . . . . 123 TYR CB . 25713 1 628 . 1 . 1 138 138 TYR N N 15 122.751 0.034 . 1 . . . . . 123 TYR N . 25713 1 629 . 1 . 1 139 139 ILE H H 1 7.413 0.003 . 1 . . . . . 124 ILE H . 25713 1 630 . 1 . 1 139 139 ILE C C 13 173.693 0.024 . 1 . . . . . 124 ILE C . 25713 1 631 . 1 . 1 139 139 ILE N N 15 114.469 0.041 . 1 . . . . . 124 ILE N . 25713 1 632 . 1 . 1 140 140 ALA H H 1 8.942 0.003 . 1 . . . . . 125 ALA H . 25713 1 633 . 1 . 1 140 140 ALA C C 13 175.613 0.082 . 1 . . . . . 125 ALA C . 25713 1 634 . 1 . 1 140 140 ALA CA C 13 51.498 0.075 . 1 . . . . . 125 ALA CA . 25713 1 635 . 1 . 1 140 140 ALA CB C 13 22.991 0.040 . 1 . . . . . 125 ALA CB . 25713 1 636 . 1 . 1 140 140 ALA N N 15 132.073 0.054 . 1 . . . . . 125 ALA N . 25713 1 637 . 1 . 1 141 141 LEU H H 1 9.162 0.108 . 1 . . . . . 126 LEU H . 25713 1 638 . 1 . 1 141 141 LEU C C 13 176.904 0.010 . 1 . . . . . 126 LEU C . 25713 1 639 . 1 . 1 141 141 LEU CA C 13 54.696 0.029 . 1 . . . . . 126 LEU CA . 25713 1 640 . 1 . 1 141 141 LEU CB C 13 43.246 0.006 . 1 . . . . . 126 LEU CB . 25713 1 641 . 1 . 1 141 141 LEU N N 15 125.978 0.055 . 1 . . . . . 126 LEU N . 25713 1 642 . 1 . 1 142 142 ASN H H 1 8.789 0.002 . 1 . . . . . 127 ASN H . 25713 1 643 . 1 . 1 142 142 ASN C C 13 176.498 0.017 . 1 . . . . . 127 ASN C . 25713 1 644 . 1 . 1 142 142 ASN CA C 13 52.880 0.014 . 1 . . . . . 127 ASN CA . 25713 1 645 . 1 . 1 142 142 ASN CB C 13 37.612 0.018 . 1 . . . . . 127 ASN CB . 25713 1 646 . 1 . 1 142 142 ASN N N 15 127.278 0.048 . 1 . . . . . 127 ASN N . 25713 1 647 . 1 . 1 143 143 GLU H H 1 8.979 0.001 . 1 . . . . . 128 GLU H . 25713 1 648 . 1 . 1 143 143 GLU C C 13 176.564 0.015 . 1 . . . . . 128 GLU C . 25713 1 649 . 1 . 1 143 143 GLU CA C 13 58.944 0.062 . 1 . . . . . 128 GLU CA . 25713 1 650 . 1 . 1 143 143 GLU CB C 13 28.714 0.025 . 1 . . . . . 128 GLU CB . 25713 1 651 . 1 . 1 143 143 GLU N N 15 119.911 0.031 . 1 . . . . . 128 GLU N . 25713 1 652 . 1 . 1 144 144 ASP H H 1 7.504 0.002 . 1 . . . . . 129 ASP H . 25713 1 653 . 1 . 1 144 144 ASP C C 13 176.862 0.001 . 1 . . . . . 129 ASP C . 25713 1 654 . 1 . 1 144 144 ASP CA C 13 53.930 0.025 . 1 . . . . . 129 ASP CA . 25713 1 655 . 1 . 1 144 144 ASP CB C 13 39.246 0.036 . 1 . . . . . 129 ASP CB . 25713 1 656 . 1 . 1 144 144 ASP N N 15 116.342 0.018 . 1 . . . . . 129 ASP N . 25713 1 657 . 1 . 1 145 145 LEU H H 1 8.705 0.002 . 1 . . . . . 130 LEU H . 25713 1 658 . 1 . 1 145 145 LEU HD11 H 1 0.801 0.004 . 1 . . . . . 130 LEU HD11 . 25713 1 659 . 1 . 1 145 145 LEU HD12 H 1 0.801 0.004 . 1 . . . . . 130 LEU HD12 . 25713 1 660 . 1 . 1 145 145 LEU HD13 H 1 0.801 0.004 . 1 . . . . . 130 LEU HD13 . 25713 1 661 . 1 . 1 145 145 LEU C C 13 175.382 0.012 . 1 . . . . . 130 LEU C . 25713 1 662 . 1 . 1 145 145 LEU CA C 13 55.499 0.088 . 1 . . . . . 130 LEU CA . 25713 1 663 . 1 . 1 145 145 LEU CB C 13 38.218 0.023 . 1 . . . . . 130 LEU CB . 25713 1 664 . 1 . 1 145 145 LEU CD1 C 13 22.438 0.066 . 1 . . . . . 130 LEU CD1 . 25713 1 665 . 1 . 1 145 145 LEU N N 15 117.076 0.015 . 1 . . . . . 130 LEU N . 25713 1 666 . 1 . 1 146 146 SER H H 1 8.443 0.004 . 1 . . . . . 131 SER H . 25713 1 667 . 1 . 1 146 146 SER C C 13 172.520 0.006 . 1 . . . . . 131 SER C . 25713 1 668 . 1 . 1 146 146 SER CA C 13 57.731 0.062 . 1 . . . . . 131 SER CA . 25713 1 669 . 1 . 1 146 146 SER CB C 13 65.338 0.032 . 1 . . . . . 131 SER CB . 25713 1 670 . 1 . 1 146 146 SER N N 15 109.447 0.037 . 1 . . . . . 131 SER N . 25713 1 671 . 1 . 1 147 147 SER H H 1 8.165 0.021 . 1 . . . . . 132 SER H . 25713 1 672 . 1 . 1 147 147 SER C C 13 171.770 0.013 . 1 . . . . . 132 SER C . 25713 1 673 . 1 . 1 147 147 SER CA C 13 56.538 0.023 . 1 . . . . . 132 SER CA . 25713 1 674 . 1 . 1 147 147 SER CB C 13 65.932 0.052 . 1 . . . . . 132 SER CB . 25713 1 675 . 1 . 1 147 147 SER N N 15 117.149 0.014 . 1 . . . . . 132 SER N . 25713 1 676 . 1 . 1 148 148 TRP H H 1 8.581 0.001 . 1 . . . . . 133 TRP H . 25713 1 677 . 1 . 1 148 148 TRP C C 13 177.269 0.015 . 1 . . . . . 133 TRP C . 25713 1 678 . 1 . 1 148 148 TRP CA C 13 55.727 0.031 . 1 . . . . . 133 TRP CA . 25713 1 679 . 1 . 1 148 148 TRP CB C 13 32.901 0.010 . 1 . . . . . 133 TRP CB . 25713 1 680 . 1 . 1 148 148 TRP N N 15 119.496 0.008 . 1 . . . . . 133 TRP N . 25713 1 681 . 1 . 1 149 149 THR H H 1 9.628 0.004 . 1 . . . . . 134 THR H . 25713 1 682 . 1 . 1 149 149 THR C C 13 173.880 0.014 . 1 . . . . . 134 THR C . 25713 1 683 . 1 . 1 149 149 THR CA C 13 63.037 0.069 . 1 . . . . . 134 THR CA . 25713 1 684 . 1 . 1 149 149 THR CB C 13 70.002 0.073 . 1 . . . . . 134 THR CB . 25713 1 685 . 1 . 1 149 149 THR N N 15 118.415 0.015 . 1 . . . . . 134 THR N . 25713 1 686 . 1 . 1 150 150 ALA H H 1 9.222 0.007 . 1 . . . . . 135 ALA H . 25713 1 687 . 1 . 1 150 150 ALA C C 13 177.490 0.022 . 1 . . . . . 135 ALA C . 25713 1 688 . 1 . 1 150 150 ALA CA C 13 50.193 0.046 . 1 . . . . . 135 ALA CA . 25713 1 689 . 1 . 1 150 150 ALA CB C 13 19.500 0.014 . 1 . . . . . 135 ALA CB . 25713 1 690 . 1 . 1 150 150 ALA N N 15 134.043 0.075 . 1 . . . . . 135 ALA N . 25713 1 691 . 1 . 1 151 151 ALA H H 1 8.414 0.039 . 1 . . . . . 136 ALA H . 25713 1 692 . 1 . 1 151 151 ALA C C 13 177.162 0.009 . 1 . . . . . 136 ALA C . 25713 1 693 . 1 . 1 151 151 ALA CA C 13 54.474 0.021 . 1 . . . . . 136 ALA CA . 25713 1 694 . 1 . 1 151 151 ALA CB C 13 20.209 0.040 . 1 . . . . . 136 ALA CB . 25713 1 695 . 1 . 1 151 151 ALA N N 15 125.284 0.080 . 1 . . . . . 136 ALA N . 25713 1 696 . 1 . 1 152 152 ASP H H 1 7.336 0.001 . 1 . . . . . 137 ASP H . 25713 1 697 . 1 . 1 152 152 ASP C C 13 176.206 0.020 . 1 . . . . . 137 ASP C . 25713 1 698 . 1 . 1 152 152 ASP N N 15 114.282 0.026 . 1 . . . . . 137 ASP N . 25713 1 699 . 1 . 1 153 153 THR H H 1 7.920 0.001 . 1 . . . . . 138 THR H . 25713 1 700 . 1 . 1 153 153 THR C C 13 176.762 0.010 . 1 . . . . . 138 THR C . 25713 1 701 . 1 . 1 153 153 THR CA C 13 65.046 0.023 . 1 . . . . . 138 THR CA . 25713 1 702 . 1 . 1 153 153 THR CB C 13 68.349 0.067 . 1 . . . . . 138 THR CB . 25713 1 703 . 1 . 1 153 153 THR N N 15 109.838 0.009 . 1 . . . . . 138 THR N . 25713 1 704 . 1 . 1 154 154 ALA H H 1 7.772 0.002 . 1 . . . . . 139 ALA H . 25713 1 705 . 1 . 1 154 154 ALA C C 13 178.372 0.020 . 1 . . . . . 139 ALA C . 25713 1 706 . 1 . 1 154 154 ALA CA C 13 54.523 0.031 . 1 . . . . . 139 ALA CA . 25713 1 707 . 1 . 1 154 154 ALA CB C 13 16.909 0.041 . 1 . . . . . 139 ALA CB . 25713 1 708 . 1 . 1 154 154 ALA N N 15 128.039 0.013 . 1 . . . . . 139 ALA N . 25713 1 709 . 1 . 1 155 155 ALA H H 1 8.241 0.023 . 1 . . . . . 140 ALA H . 25713 1 710 . 1 . 1 155 155 ALA C C 13 179.913 0.020 . 1 . . . . . 140 ALA C . 25713 1 711 . 1 . 1 155 155 ALA CA C 13 53.766 0.081 . 1 . . . . . 140 ALA CA . 25713 1 712 . 1 . 1 155 155 ALA CB C 13 18.835 0.069 . 1 . . . . . 140 ALA CB . 25713 1 713 . 1 . 1 155 155 ALA N N 15 118.977 0.027 . 1 . . . . . 140 ALA N . 25713 1 714 . 1 . 1 156 156 GLN H H 1 7.535 0.002 . 1 . . . . . 141 GLN H . 25713 1 715 . 1 . 1 156 156 GLN C C 13 178.630 0.010 . 1 . . . . . 141 GLN C . 25713 1 716 . 1 . 1 156 156 GLN CA C 13 58.326 0.027 . 1 . . . . . 141 GLN CA . 25713 1 717 . 1 . 1 156 156 GLN CB C 13 27.596 0.053 . 1 . . . . . 141 GLN CB . 25713 1 718 . 1 . 1 156 156 GLN N N 15 116.843 0.025 . 1 . . . . . 141 GLN N . 25713 1 719 . 1 . 1 157 157 ILE H H 1 7.836 0.002 . 1 . . . . . 142 ILE H . 25713 1 720 . 1 . 1 157 157 ILE HD11 H 1 0.294 0.002 . 1 . . . . . 142 ILE HD11 . 25713 1 721 . 1 . 1 157 157 ILE HD12 H 1 0.294 0.002 . 1 . . . . . 142 ILE HD12 . 25713 1 722 . 1 . 1 157 157 ILE HD13 H 1 0.294 0.002 . 1 . . . . . 142 ILE HD13 . 25713 1 723 . 1 . 1 157 157 ILE C C 13 179.880 0.014 . 1 . . . . . 142 ILE C . 25713 1 724 . 1 . 1 157 157 ILE CA C 13 65.378 0.111 . 1 . . . . . 142 ILE CA . 25713 1 725 . 1 . 1 157 157 ILE CB C 13 36.104 0.071 . 1 . . . . . 142 ILE CB . 25713 1 726 . 1 . 1 157 157 ILE CD1 C 13 12.421 0.026 . 1 . . . . . 142 ILE CD1 . 25713 1 727 . 1 . 1 157 157 ILE N N 15 123.926 0.024 . 1 . . . . . 142 ILE N . 25713 1 728 . 1 . 1 158 158 THR H H 1 6.789 0.003 . 1 . . . . . 143 THR H . 25713 1 729 . 1 . 1 158 158 THR C C 13 174.713 0.005 . 1 . . . . . 143 THR C . 25713 1 730 . 1 . 1 158 158 THR CA C 13 66.561 0.044 . 1 . . . . . 143 THR CA . 25713 1 731 . 1 . 1 158 158 THR CB C 13 67.562 0.346 . 1 . . . . . 143 THR CB . 25713 1 732 . 1 . 1 158 158 THR N N 15 117.772 0.019 . 1 . . . . . 143 THR N . 25713 1 733 . 1 . 1 159 159 GLN H H 1 8.551 0.003 . 1 . . . . . 144 GLN H . 25713 1 734 . 1 . 1 159 159 GLN C C 13 177.262 0.000 . 1 . . . . . 144 GLN C . 25713 1 735 . 1 . 1 159 159 GLN CA C 13 59.666 0.053 . 1 . . . . . 144 GLN CA . 25713 1 736 . 1 . 1 159 159 GLN CB C 13 27.323 0.019 . 1 . . . . . 144 GLN CB . 25713 1 737 . 1 . 1 159 159 GLN N N 15 120.642 0.044 . 1 . . . . . 144 GLN N . 25713 1 738 . 1 . 1 160 160 ARG H H 1 7.772 0.002 . 1 . . . . . 145 ARG H . 25713 1 739 . 1 . 1 160 160 ARG C C 13 180.503 0.010 . 1 . . . . . 145 ARG C . 25713 1 740 . 1 . 1 160 160 ARG CA C 13 59.346 0.042 . 1 . . . . . 145 ARG CA . 25713 1 741 . 1 . 1 160 160 ARG CB C 13 29.228 0.000 . 1 . . . . . 145 ARG CB . 25713 1 742 . 1 . 1 160 160 ARG N N 15 117.872 0.025 . 1 . . . . . 145 ARG N . 25713 1 743 . 1 . 1 161 161 LYS H H 1 7.652 0.004 . 1 . . . . . 146 LYS H . 25713 1 744 . 1 . 1 161 161 LYS C C 13 180.165 0.003 . 1 . . . . . 146 LYS C . 25713 1 745 . 1 . 1 161 161 LYS CA C 13 59.709 0.000 . 1 . . . . . 146 LYS CA . 25713 1 746 . 1 . 1 161 161 LYS CB C 13 31.401 0.031 . 1 . . . . . 146 LYS CB . 25713 1 747 . 1 . 1 161 161 LYS N N 15 120.905 0.033 . 1 . . . . . 146 LYS N . 25713 1 748 . 1 . 1 162 162 TRP H H 1 9.134 0.002 . 1 . . . . . 147 TRP H . 25713 1 749 . 1 . 1 162 162 TRP C C 13 181.618 0.039 . 1 . . . . . 147 TRP C . 25713 1 750 . 1 . 1 162 162 TRP CA C 13 57.691 0.062 . 1 . . . . . 147 TRP CA . 25713 1 751 . 1 . 1 162 162 TRP CB C 13 27.346 0.041 . 1 . . . . . 147 TRP CB . 25713 1 752 . 1 . 1 162 162 TRP N N 15 122.885 0.017 . 1 . . . . . 147 TRP N . 25713 1 753 . 1 . 1 163 163 GLU H H 1 9.358 0.003 . 1 . . . . . 148 GLU H . 25713 1 754 . 1 . 1 163 163 GLU C C 13 180.252 0.008 . 1 . . . . . 148 GLU C . 25713 1 755 . 1 . 1 163 163 GLU CA C 13 59.888 0.003 . 1 . . . . . 148 GLU CA . 25713 1 756 . 1 . 1 163 163 GLU CB C 13 28.703 0.021 . 1 . . . . . 148 GLU CB . 25713 1 757 . 1 . 1 163 163 GLU N N 15 126.248 0.024 . 1 . . . . . 148 GLU N . 25713 1 758 . 1 . 1 164 164 ALA H H 1 7.899 0.002 . 1 . . . . . 149 ALA H . 25713 1 759 . 1 . 1 164 164 ALA C C 13 179.329 0.029 . 1 . . . . . 149 ALA C . 25713 1 760 . 1 . 1 164 164 ALA CA C 13 54.923 0.023 . 1 . . . . . 149 ALA CA . 25713 1 761 . 1 . 1 164 164 ALA CB C 13 17.288 0.036 . 1 . . . . . 149 ALA CB . 25713 1 762 . 1 . 1 164 164 ALA N N 15 124.022 0.025 . 1 . . . . . 149 ALA N . 25713 1 763 . 1 . 1 165 165 ALA H H 1 7.606 0.003 . 1 . . . . . 150 ALA H . 25713 1 764 . 1 . 1 165 165 ALA C C 13 176.089 0.015 . 1 . . . . . 150 ALA C . 25713 1 765 . 1 . 1 165 165 ALA CA C 13 51.439 0.036 . 1 . . . . . 150 ALA CA . 25713 1 766 . 1 . 1 165 165 ALA CB C 13 18.525 0.042 . 1 . . . . . 150 ALA CB . 25713 1 767 . 1 . 1 165 165 ALA N N 15 116.960 0.019 . 1 . . . . . 150 ALA N . 25713 1 768 . 1 . 1 166 166 ARG H H 1 7.771 0.001 . 1 . . . . . 151 ARG H . 25713 1 769 . 1 . 1 166 166 ARG C C 13 176.595 0.007 . 1 . . . . . 151 ARG C . 25713 1 770 . 1 . 1 166 166 ARG CA C 13 57.015 0.060 . 1 . . . . . 151 ARG CA . 25713 1 771 . 1 . 1 166 166 ARG CB C 13 25.642 0.037 . 1 . . . . . 151 ARG CB . 25713 1 772 . 1 . 1 166 166 ARG N N 15 115.172 0.021 . 1 . . . . . 151 ARG N . 25713 1 773 . 1 . 1 167 167 VAL H H 1 7.838 0.002 . 1 . . . . . 152 VAL H . 25713 1 774 . 1 . 1 167 167 VAL C C 13 178.043 0.011 . 1 . . . . . 152 VAL C . 25713 1 775 . 1 . 1 167 167 VAL CA C 13 66.047 0.030 . 1 . . . . . 152 VAL CA . 25713 1 776 . 1 . 1 167 167 VAL CB C 13 31.446 0.052 . 1 . . . . . 152 VAL CB . 25713 1 777 . 1 . 1 167 167 VAL N N 15 118.705 0.034 . 1 . . . . . 152 VAL N . 25713 1 778 . 1 . 1 168 168 ALA H H 1 9.389 0.003 . 1 . . . . . 153 ALA H . 25713 1 779 . 1 . 1 168 168 ALA C C 13 178.521 0.005 . 1 . . . . . 153 ALA C . 25713 1 780 . 1 . 1 168 168 ALA CA C 13 56.017 0.036 . 1 . . . . . 153 ALA CA . 25713 1 781 . 1 . 1 168 168 ALA CB C 13 15.925 0.034 . 1 . . . . . 153 ALA CB . 25713 1 782 . 1 . 1 168 168 ALA N N 15 121.517 0.011 . 1 . . . . . 153 ALA N . 25713 1 783 . 1 . 1 169 169 GLU H H 1 8.062 0.004 . 1 . . . . . 154 GLU H . 25713 1 784 . 1 . 1 169 169 GLU C C 13 179.975 0.077 . 1 . . . . . 154 GLU C . 25713 1 785 . 1 . 1 169 169 GLU CA C 13 59.498 0.000 . 1 . . . . . 154 GLU CA . 25713 1 786 . 1 . 1 169 169 GLU CB C 13 28.822 0.029 . 1 . . . . . 154 GLU CB . 25713 1 787 . 1 . 1 169 169 GLU N N 15 116.493 0.020 . 1 . . . . . 154 GLU N . 25713 1 788 . 1 . 1 170 170 GLN H H 1 7.410 0.002 . 1 . . . . . 155 GLN H . 25713 1 789 . 1 . 1 170 170 GLN CA C 13 58.519 0.001 . 1 . . . . . 155 GLN CA . 25713 1 790 . 1 . 1 170 170 GLN CB C 13 29.295 0.004 . 1 . . . . . 155 GLN CB . 25713 1 791 . 1 . 1 170 170 GLN N N 15 120.424 0.034 . 1 . . . . . 155 GLN N . 25713 1 792 . 1 . 1 171 171 LEU H H 1 8.738 0.005 . 1 . . . . . 156 LEU H . 25713 1 793 . 1 . 1 171 171 LEU HD11 H 1 0.933 0.002 . 1 . . . . . 156 LEU HD11 . 25713 1 794 . 1 . 1 171 171 LEU HD12 H 1 0.933 0.002 . 1 . . . . . 156 LEU HD12 . 25713 1 795 . 1 . 1 171 171 LEU HD13 H 1 0.933 0.002 . 1 . . . . . 156 LEU HD13 . 25713 1 796 . 1 . 1 171 171 LEU C C 13 179.094 0.009 . 1 . . . . . 156 LEU C . 25713 1 797 . 1 . 1 171 171 LEU CA C 13 57.197 0.139 . 1 . . . . . 156 LEU CA . 25713 1 798 . 1 . 1 171 171 LEU CB C 13 41.230 0.179 . 1 . . . . . 156 LEU CB . 25713 1 799 . 1 . 1 171 171 LEU CD1 C 13 26.203 0.045 . 1 . . . . . 156 LEU CD1 . 25713 1 800 . 1 . 1 171 171 LEU N N 15 123.010 0.027 . 1 . . . . . 156 LEU N . 25713 1 801 . 1 . 1 172 172 ARG H H 1 9.320 0.003 . 1 . . . . . 157 ARG H . 25713 1 802 . 1 . 1 172 172 ARG C C 13 177.176 0.006 . 1 . . . . . 157 ARG C . 25713 1 803 . 1 . 1 172 172 ARG CA C 13 60.597 0.063 . 1 . . . . . 157 ARG CA . 25713 1 804 . 1 . 1 172 172 ARG CB C 13 28.559 0.004 . 1 . . . . . 157 ARG CB . 25713 1 805 . 1 . 1 172 172 ARG N N 15 121.812 0.027 . 1 . . . . . 157 ARG N . 25713 1 806 . 1 . 1 173 173 ALA H H 1 7.407 0.003 . 1 . . . . . 158 ALA H . 25713 1 807 . 1 . 1 173 173 ALA C C 13 182.179 0.003 . 1 . . . . . 158 ALA C . 25713 1 808 . 1 . 1 173 173 ALA CA C 13 54.816 0.008 . 1 . . . . . 158 ALA CA . 25713 1 809 . 1 . 1 173 173 ALA CB C 13 17.353 0.047 . 1 . . . . . 158 ALA CB . 25713 1 810 . 1 . 1 173 173 ALA N N 15 118.506 0.063 . 1 . . . . . 158 ALA N . 25713 1 811 . 1 . 1 174 174 TYR H H 1 7.526 0.006 . 1 . . . . . 159 TYR H . 25713 1 812 . 1 . 1 174 174 TYR C C 13 176.691 0.005 . 1 . . . . . 159 TYR C . 25713 1 813 . 1 . 1 174 174 TYR CA C 13 61.322 0.057 . 1 . . . . . 159 TYR CA . 25713 1 814 . 1 . 1 174 174 TYR CB C 13 37.549 0.026 . 1 . . . . . 159 TYR CB . 25713 1 815 . 1 . 1 174 174 TYR N N 15 119.331 0.053 . 1 . . . . . 159 TYR N . 25713 1 816 . 1 . 1 175 175 LEU H H 1 9.127 0.003 . 1 . . . . . 160 LEU H . 25713 1 817 . 1 . 1 175 175 LEU HD11 H 1 1.534 0.002 . 1 . . . . . 160 LEU HD11 . 25713 1 818 . 1 . 1 175 175 LEU HD12 H 1 1.534 0.002 . 1 . . . . . 160 LEU HD12 . 25713 1 819 . 1 . 1 175 175 LEU HD13 H 1 1.534 0.002 . 1 . . . . . 160 LEU HD13 . 25713 1 820 . 1 . 1 175 175 LEU C C 13 176.397 0.006 . 1 . . . . . 160 LEU C . 25713 1 821 . 1 . 1 175 175 LEU CA C 13 57.834 0.082 . 1 . . . . . 160 LEU CA . 25713 1 822 . 1 . 1 175 175 LEU CB C 13 41.696 0.043 . 1 . . . . . 160 LEU CB . 25713 1 823 . 1 . 1 175 175 LEU CD1 C 13 23.311 0.036 . 1 . . . . . 160 LEU CD1 . 25713 1 824 . 1 . 1 175 175 LEU N N 15 121.535 0.044 . 1 . . . . . 160 LEU N . 25713 1 825 . 1 . 1 176 176 GLU H H 1 8.509 0.006 . 1 . . . . . 161 GLU H . 25713 1 826 . 1 . 1 176 176 GLU C C 13 177.034 0.002 . 1 . . . . . 161 GLU C . 25713 1 827 . 1 . 1 176 176 GLU CA C 13 56.963 0.018 . 1 . . . . . 161 GLU CA . 25713 1 828 . 1 . 1 176 176 GLU CB C 13 30.238 0.010 . 1 . . . . . 161 GLU CB . 25713 1 829 . 1 . 1 176 176 GLU N N 15 110.344 0.058 . 1 . . . . . 161 GLU N . 25713 1 830 . 1 . 1 177 177 GLY H H 1 7.308 0.002 . 1 . . . . . 162 GLY H . 25713 1 831 . 1 . 1 177 177 GLY C C 13 173.332 0.003 . 1 . . . . . 162 GLY C . 25713 1 832 . 1 . 1 177 177 GLY CA C 13 45.463 0.019 . 1 . . . . . 162 GLY CA . 25713 1 833 . 1 . 1 177 177 GLY N N 15 108.062 0.037 . 1 . . . . . 162 GLY N . 25713 1 834 . 1 . 1 178 178 GLU H H 1 8.546 0.006 . 1 . . . . . 163 GLU H . 25713 1 835 . 1 . 1 178 178 GLU C C 13 177.298 0.009 . 1 . . . . . 163 GLU C . 25713 1 836 . 1 . 1 178 178 GLU CA C 13 60.556 0.031 . 1 . . . . . 163 GLU CA . 25713 1 837 . 1 . 1 178 178 GLU CB C 13 31.120 0.035 . 1 . . . . . 163 GLU CB . 25713 1 838 . 1 . 1 178 178 GLU N N 15 129.790 0.074 . 1 . . . . . 163 GLU N . 25713 1 839 . 1 . 1 179 179 CYS H H 1 8.782 0.002 . 1 . . . . . 164 CYS H . 25713 1 840 . 1 . 1 179 179 CYS C C 13 175.502 0.001 . 1 . . . . . 164 CYS C . 25713 1 841 . 1 . 1 179 179 CYS CA C 13 61.724 0.002 . 1 . . . . . 164 CYS CA . 25713 1 842 . 1 . 1 179 179 CYS CB C 13 41.559 0.003 . 1 . . . . . 164 CYS CB . 25713 1 843 . 1 . 1 179 179 CYS N N 15 117.879 0.011 . 1 . . . . . 164 CYS N . 25713 1 844 . 1 . 1 180 180 VAL H H 1 6.367 0.003 . 1 . . . . . 165 VAL H . 25713 1 845 . 1 . 1 180 180 VAL HG11 H 1 1.197 0.003 . 2 . . . . . 165 VAL HG11 . 25713 1 846 . 1 . 1 180 180 VAL HG12 H 1 1.197 0.003 . 2 . . . . . 165 VAL HG12 . 25713 1 847 . 1 . 1 180 180 VAL HG13 H 1 1.197 0.003 . 2 . . . . . 165 VAL HG13 . 25713 1 848 . 1 . 1 180 180 VAL HG21 H 1 1.028 0.004 . 2 . . . . . 165 VAL HG21 . 25713 1 849 . 1 . 1 180 180 VAL HG22 H 1 1.028 0.004 . 2 . . . . . 165 VAL HG22 . 25713 1 850 . 1 . 1 180 180 VAL HG23 H 1 1.028 0.004 . 2 . . . . . 165 VAL HG23 . 25713 1 851 . 1 . 1 180 180 VAL C C 13 178.028 0.008 . 1 . . . . . 165 VAL C . 25713 1 852 . 1 . 1 180 180 VAL CA C 13 65.319 0.094 . 1 . . . . . 165 VAL CA . 25713 1 853 . 1 . 1 180 180 VAL CB C 13 31.612 0.072 . 1 . . . . . 165 VAL CB . 25713 1 854 . 1 . 1 180 180 VAL CG1 C 13 22.526 0.034 . 2 . . . . . 165 VAL CG1 . 25713 1 855 . 1 . 1 180 180 VAL CG2 C 13 22.239 0.046 . 2 . . . . . 165 VAL CG2 . 25713 1 856 . 1 . 1 180 180 VAL N N 15 114.811 0.028 . 1 . . . . . 165 VAL N . 25713 1 857 . 1 . 1 181 181 GLU H H 1 8.366 0.002 . 1 . . . . . 166 GLU H . 25713 1 858 . 1 . 1 181 181 GLU C C 13 180.286 0.002 . 1 . . . . . 166 GLU C . 25713 1 859 . 1 . 1 181 181 GLU CA C 13 59.074 0.052 . 1 . . . . . 166 GLU CA . 25713 1 860 . 1 . 1 181 181 GLU CB C 13 29.245 0.026 . 1 . . . . . 166 GLU CB . 25713 1 861 . 1 . 1 181 181 GLU N N 15 120.469 0.012 . 1 . . . . . 166 GLU N . 25713 1 862 . 1 . 1 182 182 TRP H H 1 8.991 0.006 . 1 . . . . . 167 TRP H . 25713 1 863 . 1 . 1 182 182 TRP C C 13 176.035 0.019 . 1 . . . . . 167 TRP C . 25713 1 864 . 1 . 1 182 182 TRP CA C 13 61.484 0.017 . 1 . . . . . 167 TRP CA . 25713 1 865 . 1 . 1 182 182 TRP CB C 13 26.562 0.052 . 1 . . . . . 167 TRP CB . 25713 1 866 . 1 . 1 182 182 TRP N N 15 120.576 0.046 . 1 . . . . . 167 TRP N . 25713 1 867 . 1 . 1 183 183 LEU H H 1 7.927 0.006 . 1 . . . . . 168 LEU H . 25713 1 868 . 1 . 1 183 183 LEU HD11 H 1 1.090 0.006 . 1 . . . . . 168 LEU HD11 . 25713 1 869 . 1 . 1 183 183 LEU HD12 H 1 1.090 0.006 . 1 . . . . . 168 LEU HD12 . 25713 1 870 . 1 . 1 183 183 LEU HD13 H 1 1.090 0.006 . 1 . . . . . 168 LEU HD13 . 25713 1 871 . 1 . 1 183 183 LEU C C 13 178.569 0.024 . 1 . . . . . 168 LEU C . 25713 1 872 . 1 . 1 183 183 LEU CA C 13 58.767 0.110 . 1 . . . . . 168 LEU CA . 25713 1 873 . 1 . 1 183 183 LEU CB C 13 39.838 0.020 . 1 . . . . . 168 LEU CB . 25713 1 874 . 1 . 1 183 183 LEU CD1 C 13 23.882 0.038 . 1 . . . . . 168 LEU CD1 . 25713 1 875 . 1 . 1 183 183 LEU N N 15 121.034 0.053 . 1 . . . . . 168 LEU N . 25713 1 876 . 1 . 1 184 184 ARG H H 1 8.097 0.004 . 1 . . . . . 169 ARG H . 25713 1 877 . 1 . 1 184 184 ARG C C 13 178.944 0.001 . 1 . . . . . 169 ARG C . 25713 1 878 . 1 . 1 184 184 ARG CA C 13 59.935 0.022 . 1 . . . . . 169 ARG CA . 25713 1 879 . 1 . 1 184 184 ARG CB C 13 28.839 0.005 . 1 . . . . . 169 ARG CB . 25713 1 880 . 1 . 1 184 184 ARG N N 15 116.618 0.057 . 1 . . . . . 169 ARG N . 25713 1 881 . 1 . 1 185 185 ARG H H 1 7.287 0.002 . 1 . . . . . 170 ARG H . 25713 1 882 . 1 . 1 185 185 ARG C C 13 178.509 0.029 . 1 . . . . . 170 ARG C . 25713 1 883 . 1 . 1 185 185 ARG CA C 13 58.707 0.024 . 1 . . . . . 170 ARG CA . 25713 1 884 . 1 . 1 185 185 ARG CB C 13 28.629 0.000 . 1 . . . . . 170 ARG CB . 25713 1 885 . 1 . 1 185 185 ARG N N 15 122.149 0.014 . 1 . . . . . 170 ARG N . 25713 1 886 . 1 . 1 186 186 TYR H H 1 8.418 0.005 . 1 . . . . . 171 TYR H . 25713 1 887 . 1 . 1 186 186 TYR C C 13 178.464 0.009 . 1 . . . . . 171 TYR C . 25713 1 888 . 1 . 1 186 186 TYR CA C 13 57.800 0.026 . 1 . . . . . 171 TYR CA . 25713 1 889 . 1 . 1 186 186 TYR CB C 13 35.835 0.033 . 1 . . . . . 171 TYR CB . 25713 1 890 . 1 . 1 186 186 TYR N N 15 121.613 0.034 . 1 . . . . . 171 TYR N . 25713 1 891 . 1 . 1 187 187 LEU H H 1 8.413 0.004 . 1 . . . . . 172 LEU H . 25713 1 892 . 1 . 1 187 187 LEU C C 13 179.151 0.008 . 1 . . . . . 172 LEU C . 25713 1 893 . 1 . 1 187 187 LEU CA C 13 57.249 0.032 . 1 . . . . . 172 LEU CA . 25713 1 894 . 1 . 1 187 187 LEU CB C 13 40.658 0.044 . 1 . . . . . 172 LEU CB . 25713 1 895 . 1 . 1 187 187 LEU N N 15 117.269 0.020 . 1 . . . . . 172 LEU N . 25713 1 896 . 1 . 1 188 188 GLU H H 1 7.498 0.001 . 1 . . . . . 173 GLU H . 25713 1 897 . 1 . 1 188 188 GLU C C 13 179.698 0.004 . 1 . . . . . 173 GLU C . 25713 1 898 . 1 . 1 188 188 GLU CA C 13 58.225 0.048 . 1 . . . . . 173 GLU CA . 25713 1 899 . 1 . 1 188 188 GLU CB C 13 28.541 0.016 . 1 . . . . . 173 GLU CB . 25713 1 900 . 1 . 1 188 188 GLU N N 15 118.607 0.011 . 1 . . . . . 173 GLU N . 25713 1 901 . 1 . 1 189 189 ASN H H 1 8.763 0.002 . 1 . . . . . 174 ASN H . 25713 1 902 . 1 . 1 189 189 ASN C C 13 177.868 0.007 . 1 . . . . . 174 ASN C . 25713 1 903 . 1 . 1 189 189 ASN CA C 13 55.284 0.031 . 1 . . . . . 174 ASN CA . 25713 1 904 . 1 . 1 189 189 ASN CB C 13 36.605 0.010 . 1 . . . . . 174 ASN CB . 25713 1 905 . 1 . 1 189 189 ASN N N 15 121.284 0.025 . 1 . . . . . 174 ASN N . 25713 1 906 . 1 . 1 190 190 GLY H H 1 8.810 0.002 . 1 . . . . . 175 GLY H . 25713 1 907 . 1 . 1 190 190 GLY C C 13 175.085 0.018 . 1 . . . . . 175 GLY C . 25713 1 908 . 1 . 1 190 190 GLY CA C 13 44.581 0.013 . 1 . . . . . 175 GLY CA . 25713 1 909 . 1 . 1 190 190 GLY N N 15 108.838 0.051 . 1 . . . . . 175 GLY N . 25713 1 910 . 1 . 1 191 191 LYS H H 1 6.963 0.002 . 1 . . . . . 176 LYS H . 25713 1 911 . 1 . 1 191 191 LYS C C 13 177.534 0.002 . 1 . . . . . 176 LYS C . 25713 1 912 . 1 . 1 191 191 LYS CA C 13 60.858 0.051 . 1 . . . . . 176 LYS CA . 25713 1 913 . 1 . 1 191 191 LYS CB C 13 31.858 0.029 . 1 . . . . . 176 LYS CB . 25713 1 914 . 1 . 1 191 191 LYS N N 15 122.880 0.012 . 1 . . . . . 176 LYS N . 25713 1 915 . 1 . 1 192 192 GLU H H 1 8.698 0.001 . 1 . . . . . 177 GLU H . 25713 1 916 . 1 . 1 192 192 GLU C C 13 176.468 0.011 . 1 . . . . . 177 GLU C . 25713 1 917 . 1 . 1 192 192 GLU CA C 13 58.947 0.074 . 1 . . . . . 177 GLU CA . 25713 1 918 . 1 . 1 192 192 GLU CB C 13 28.955 0.040 . 1 . . . . . 177 GLU CB . 25713 1 919 . 1 . 1 192 192 GLU N N 15 117.671 0.062 . 1 . . . . . 177 GLU N . 25713 1 920 . 1 . 1 193 193 THR H H 1 7.651 0.003 . 1 . . . . . 178 THR H . 25713 1 921 . 1 . 1 193 193 THR C C 13 176.464 0.000 . 1 . . . . . 178 THR C . 25713 1 922 . 1 . 1 193 193 THR CA C 13 61.949 0.033 . 1 . . . . . 178 THR CA . 25713 1 923 . 1 . 1 193 193 THR CB C 13 69.450 0.026 . 1 . . . . . 178 THR CB . 25713 1 924 . 1 . 1 193 193 THR N N 15 105.346 0.039 . 1 . . . . . 178 THR N . 25713 1 925 . 1 . 1 194 194 LEU H H 1 8.562 0.004 . 1 . . . . . 179 LEU H . 25713 1 926 . 1 . 1 194 194 LEU C C 13 179.464 0.003 . 1 . . . . . 179 LEU C . 25713 1 927 . 1 . 1 194 194 LEU CA C 13 55.948 0.036 . 1 . . . . . 179 LEU CA . 25713 1 928 . 1 . 1 194 194 LEU CB C 13 43.277 0.005 . 1 . . . . . 179 LEU CB . 25713 1 929 . 1 . 1 194 194 LEU N N 15 120.508 0.042 . 1 . . . . . 179 LEU N . 25713 1 930 . 1 . 1 195 195 GLN H H 1 7.524 0.002 . 1 . . . . . 180 GLN H . 25713 1 931 . 1 . 1 195 195 GLN C C 13 174.120 0.005 . 1 . . . . . 180 GLN C . 25713 1 932 . 1 . 1 195 195 GLN CA C 13 55.313 0.054 . 1 . . . . . 180 GLN CA . 25713 1 933 . 1 . 1 195 195 GLN CB C 13 28.216 0.037 . 1 . . . . . 180 GLN CB . 25713 1 934 . 1 . 1 195 195 GLN N N 15 113.368 0.027 . 1 . . . . . 180 GLN N . 25713 1 935 . 1 . 1 196 196 ARG H H 1 7.078 0.002 . 1 . . . . . 181 ARG H . 25713 1 936 . 1 . 1 196 196 ARG C C 13 174.322 0.001 . 1 . . . . . 181 ARG C . 25713 1 937 . 1 . 1 196 196 ARG CA C 13 54.772 0.045 . 1 . . . . . 181 ARG CA . 25713 1 938 . 1 . 1 196 196 ARG CB C 13 31.557 0.008 . 1 . . . . . 181 ARG CB . 25713 1 939 . 1 . 1 196 196 ARG N N 15 120.929 0.018 . 1 . . . . . 181 ARG N . 25713 1 940 . 1 . 1 197 197 ALA H H 1 8.627 0.002 . 1 . . . . . 182 ALA H . 25713 1 941 . 1 . 1 197 197 ALA C C 13 177.136 0.008 . 1 . . . . . 182 ALA C . 25713 1 942 . 1 . 1 197 197 ALA CA C 13 51.155 0.063 . 1 . . . . . 182 ALA CA . 25713 1 943 . 1 . 1 197 197 ALA CB C 13 19.042 0.030 . 1 . . . . . 182 ALA CB . 25713 1 944 . 1 . 1 197 197 ALA N N 15 128.489 0.041 . 1 . . . . . 182 ALA N . 25713 1 945 . 1 . 1 198 198 ASP H H 1 9.618 0.003 . 1 . . . . . 183 ASP H . 25713 1 946 . 1 . 1 198 198 ASP C C 13 173.866 0.000 . 1 . . . . . 183 ASP C . 25713 1 947 . 1 . 1 198 198 ASP CB C 13 42.241 0.000 . 1 . . . . . 183 ASP CB . 25713 1 948 . 1 . 1 198 198 ASP N N 15 126.115 0.023 . 1 . . . . . 183 ASP N . 25713 1 949 . 1 . 1 200 200 PRO C C 13 176.712 0.007 . 1 . . . . . 185 PRO C . 25713 1 950 . 1 . 1 200 200 PRO CA C 13 61.764 0.006 . 1 . . . . . 185 PRO CA . 25713 1 951 . 1 . 1 201 201 LYS H H 1 9.657 0.002 . 1 . . . . . 186 LYS H . 25713 1 952 . 1 . 1 201 201 LYS C C 13 178.178 0.020 . 1 . . . . . 186 LYS C . 25713 1 953 . 1 . 1 201 201 LYS CA C 13 56.337 0.011 . 1 . . . . . 186 LYS CA . 25713 1 954 . 1 . 1 201 201 LYS CB C 13 31.100 0.028 . 1 . . . . . 186 LYS CB . 25713 1 955 . 1 . 1 201 201 LYS N N 15 125.784 0.020 . 1 . . . . . 186 LYS N . 25713 1 956 . 1 . 1 202 202 THR H H 1 8.460 0.002 . 1 . . . . . 187 THR H . 25713 1 957 . 1 . 1 202 202 THR C C 13 174.578 0.011 . 1 . . . . . 187 THR C . 25713 1 958 . 1 . 1 202 202 THR CA C 13 59.109 0.075 . 1 . . . . . 187 THR CA . 25713 1 959 . 1 . 1 202 202 THR CB C 13 71.576 0.061 . 1 . . . . . 187 THR CB . 25713 1 960 . 1 . 1 202 202 THR N N 15 116.869 0.013 . 1 . . . . . 187 THR N . 25713 1 961 . 1 . 1 203 203 HIS H H 1 8.219 0.002 . 1 . . . . . 188 HIS H . 25713 1 962 . 1 . 1 203 203 HIS C C 13 172.779 0.005 . 1 . . . . . 188 HIS C . 25713 1 963 . 1 . 1 203 203 HIS CA C 13 59.194 0.000 . 1 . . . . . 188 HIS CA . 25713 1 964 . 1 . 1 203 203 HIS CB C 13 31.908 0.007 . 1 . . . . . 188 HIS CB . 25713 1 965 . 1 . 1 203 203 HIS N N 15 116.691 0.025 . 1 . . . . . 188 HIS N . 25713 1 966 . 1 . 1 204 204 VAL H H 1 8.757 0.006 . 1 . . . . . 189 VAL H . 25713 1 967 . 1 . 1 204 204 VAL HG11 H 1 1.140 0.002 . 2 . . . . . 189 VAL HG11 . 25713 1 968 . 1 . 1 204 204 VAL HG12 H 1 1.140 0.002 . 2 . . . . . 189 VAL HG12 . 25713 1 969 . 1 . 1 204 204 VAL HG13 H 1 1.140 0.002 . 2 . . . . . 189 VAL HG13 . 25713 1 970 . 1 . 1 204 204 VAL HG21 H 1 1.448 0.002 . 2 . . . . . 189 VAL HG21 . 25713 1 971 . 1 . 1 204 204 VAL HG22 H 1 1.448 0.002 . 2 . . . . . 189 VAL HG22 . 25713 1 972 . 1 . 1 204 204 VAL HG23 H 1 1.448 0.002 . 2 . . . . . 189 VAL HG23 . 25713 1 973 . 1 . 1 204 204 VAL C C 13 176.536 0.007 . 1 . . . . . 189 VAL C . 25713 1 974 . 1 . 1 204 204 VAL CA C 13 60.506 0.086 . 1 . . . . . 189 VAL CA . 25713 1 975 . 1 . 1 204 204 VAL CB C 13 34.484 0.066 . 1 . . . . . 189 VAL CB . 25713 1 976 . 1 . 1 204 204 VAL CG1 C 13 22.829 0.043 . 2 . . . . . 189 VAL CG1 . 25713 1 977 . 1 . 1 204 204 VAL CG2 C 13 23.043 0.052 . 2 . . . . . 189 VAL CG2 . 25713 1 978 . 1 . 1 204 204 VAL N N 15 121.297 0.026 . 1 . . . . . 189 VAL N . 25713 1 979 . 1 . 1 205 205 THR H H 1 9.888 0.002 . 1 . . . . . 190 THR H . 25713 1 980 . 1 . 1 205 205 THR C C 13 171.955 0.024 . 1 . . . . . 190 THR C . 25713 1 981 . 1 . 1 205 205 THR CA C 13 60.439 0.029 . 1 . . . . . 190 THR CA . 25713 1 982 . 1 . 1 205 205 THR CB C 13 69.951 0.047 . 1 . . . . . 190 THR CB . 25713 1 983 . 1 . 1 205 205 THR N N 15 119.581 0.014 . 1 . . . . . 190 THR N . 25713 1 984 . 1 . 1 206 206 HIS H H 1 7.931 0.006 . 1 . . . . . 191 HIS H . 25713 1 985 . 1 . 1 206 206 HIS C C 13 174.535 0.013 . 1 . . . . . 191 HIS C . 25713 1 986 . 1 . 1 206 206 HIS CA C 13 55.282 0.070 . 1 . . . . . 191 HIS CA . 25713 1 987 . 1 . 1 206 206 HIS CB C 13 33.604 0.028 . 1 . . . . . 191 HIS CB . 25713 1 988 . 1 . 1 206 206 HIS N N 15 122.824 0.028 . 1 . . . . . 191 HIS N . 25713 1 989 . 1 . 1 207 207 HIS H H 1 8.400 0.001 . 1 . . . . . 192 HIS H . 25713 1 990 . 1 . 1 207 207 HIS C C 13 172.841 0.000 . 1 . . . . . 192 HIS C . 25713 1 991 . 1 . 1 207 207 HIS CA C 13 51.773 0.000 . 1 . . . . . 192 HIS CA . 25713 1 992 . 1 . 1 207 207 HIS CB C 13 29.356 0.000 . 1 . . . . . 192 HIS CB . 25713 1 993 . 1 . 1 207 207 HIS N N 15 123.832 0.015 . 1 . . . . . 192 HIS N . 25713 1 994 . 1 . 1 208 208 PRO C C 13 177.054 0.000 . 1 . . . . . 193 PRO C . 25713 1 995 . 1 . 1 208 208 PRO CA C 13 63.895 0.006 . 1 . . . . . 193 PRO CA . 25713 1 996 . 1 . 1 208 208 PRO CB C 13 31.430 0.010 . 1 . . . . . 193 PRO CB . 25713 1 997 . 1 . 1 209 209 ILE H H 1 8.584 0.002 . 1 . . . . . 194 ILE H . 25713 1 998 . 1 . 1 209 209 ILE HD11 H 1 0.748 0.004 . 1 . . . . . 194 ILE HD11 . 25713 1 999 . 1 . 1 209 209 ILE HD12 H 1 0.748 0.004 . 1 . . . . . 194 ILE HD12 . 25713 1 1000 . 1 . 1 209 209 ILE HD13 H 1 0.748 0.004 . 1 . . . . . 194 ILE HD13 . 25713 1 1001 . 1 . 1 209 209 ILE C C 13 175.499 0.005 . 1 . . . . . 194 ILE C . 25713 1 1002 . 1 . 1 209 209 ILE CA C 13 62.035 0.149 . 1 . . . . . 194 ILE CA . 25713 1 1003 . 1 . 1 209 209 ILE CB C 13 39.411 0.082 . 1 . . . . . 194 ILE CB . 25713 1 1004 . 1 . 1 209 209 ILE CD1 C 13 14.228 0.055 . 1 . . . . . 194 ILE CD1 . 25713 1 1005 . 1 . 1 209 209 ILE N N 15 123.846 0.039 . 1 . . . . . 194 ILE N . 25713 1 1006 . 1 . 1 210 210 SER H H 1 8.351 0.004 . 1 . . . . . 195 SER H . 25713 1 1007 . 1 . 1 210 210 SER C C 13 174.036 0.000 . 1 . . . . . 195 SER C . 25713 1 1008 . 1 . 1 210 210 SER CA C 13 56.479 0.000 . 1 . . . . . 195 SER CA . 25713 1 1009 . 1 . 1 210 210 SER CB C 13 64.808 0.000 . 1 . . . . . 195 SER CB . 25713 1 1010 . 1 . 1 210 210 SER N N 15 116.284 0.032 . 1 . . . . . 195 SER N . 25713 1 1011 . 1 . 1 211 211 ASP C C 13 176.663 0.000 . 1 . . . . . 196 ASP C . 25713 1 1012 . 1 . 1 211 211 ASP CA C 13 58.249 0.000 . 1 . . . . . 196 ASP CA . 25713 1 1013 . 1 . 1 212 212 HIS H H 1 8.229 0.013 . 1 . . . . . 197 HIS H . 25713 1 1014 . 1 . 1 212 212 HIS C C 13 175.973 0.028 . 1 . . . . . 197 HIS C . 25713 1 1015 . 1 . 1 212 212 HIS CA C 13 56.114 0.049 . 1 . . . . . 197 HIS CA . 25713 1 1016 . 1 . 1 212 212 HIS CB C 13 31.618 0.035 . 1 . . . . . 197 HIS CB . 25713 1 1017 . 1 . 1 212 212 HIS N N 15 114.262 0.042 . 1 . . . . . 197 HIS N . 25713 1 1018 . 1 . 1 213 213 GLU H H 1 7.463 0.003 . 1 . . . . . 198 GLU H . 25713 1 1019 . 1 . 1 213 213 GLU C C 13 174.577 0.005 . 1 . . . . . 198 GLU C . 25713 1 1020 . 1 . 1 213 213 GLU CA C 13 55.254 0.043 . 1 . . . . . 198 GLU CA . 25713 1 1021 . 1 . 1 213 213 GLU CB C 13 34.512 0.011 . 1 . . . . . 198 GLU CB . 25713 1 1022 . 1 . 1 213 213 GLU N N 15 120.822 0.024 . 1 . . . . . 198 GLU N . 25713 1 1023 . 1 . 1 214 214 ALA H H 1 9.030 0.002 . 1 . . . . . 199 ALA H . 25713 1 1024 . 1 . 1 214 214 ALA C C 13 174.453 0.000 . 1 . . . . . 199 ALA C . 25713 1 1025 . 1 . 1 214 214 ALA CA C 13 50.634 0.013 . 1 . . . . . 199 ALA CA . 25713 1 1026 . 1 . 1 214 214 ALA CB C 13 21.963 0.022 . 1 . . . . . 199 ALA CB . 25713 1 1027 . 1 . 1 214 214 ALA N N 15 123.701 0.013 . 1 . . . . . 199 ALA N . 25713 1 1028 . 1 . 1 215 215 THR H H 1 8.531 0.003 . 1 . . . . . 200 THR H . 25713 1 1029 . 1 . 1 215 215 THR C C 13 174.582 0.082 . 1 . . . . . 200 THR C . 25713 1 1030 . 1 . 1 215 215 THR CA C 13 61.862 0.007 . 1 . . . . . 200 THR CA . 25713 1 1031 . 1 . 1 215 215 THR CB C 13 69.550 0.062 . 1 . . . . . 200 THR CB . 25713 1 1032 . 1 . 1 215 215 THR N N 15 118.725 0.011 . 1 . . . . . 200 THR N . 25713 1 1033 . 1 . 1 216 216 LEU H H 1 8.766 0.005 . 1 . . . . . 201 LEU H . 25713 1 1034 . 1 . 1 216 216 LEU HD11 H 1 0.590 0.000 . 2 . . . . . 201 LEU HD11 . 25713 1 1035 . 1 . 1 216 216 LEU HD12 H 1 0.590 0.000 . 2 . . . . . 201 LEU HD12 . 25713 1 1036 . 1 . 1 216 216 LEU HD13 H 1 0.590 0.000 . 2 . . . . . 201 LEU HD13 . 25713 1 1037 . 1 . 1 216 216 LEU HD21 H 1 0.557 0.002 . 2 . . . . . 201 LEU HD21 . 25713 1 1038 . 1 . 1 216 216 LEU HD22 H 1 0.557 0.002 . 2 . . . . . 201 LEU HD22 . 25713 1 1039 . 1 . 1 216 216 LEU HD23 H 1 0.557 0.002 . 2 . . . . . 201 LEU HD23 . 25713 1 1040 . 1 . 1 216 216 LEU C C 13 175.371 0.004 . 1 . . . . . 201 LEU C . 25713 1 1041 . 1 . 1 216 216 LEU CA C 13 52.574 0.087 . 1 . . . . . 201 LEU CA . 25713 1 1042 . 1 . 1 216 216 LEU CB C 13 43.041 0.031 . 1 . . . . . 201 LEU CB . 25713 1 1043 . 1 . 1 216 216 LEU CD1 C 13 24.336 0.034 . 2 . . . . . 201 LEU CD1 . 25713 1 1044 . 1 . 1 216 216 LEU CD2 C 13 26.390 0.044 . 2 . . . . . 201 LEU CD2 . 25713 1 1045 . 1 . 1 216 216 LEU N N 15 126.983 0.016 . 1 . . . . . 201 LEU N . 25713 1 1046 . 1 . 1 217 217 ARG H H 1 9.206 0.005 . 1 . . . . . 202 ARG H . 25713 1 1047 . 1 . 1 217 217 ARG C C 13 173.020 0.014 . 1 . . . . . 202 ARG C . 25713 1 1048 . 1 . 1 217 217 ARG CA C 13 55.019 0.016 . 1 . . . . . 202 ARG CA . 25713 1 1049 . 1 . 1 217 217 ARG CB C 13 31.633 0.030 . 1 . . . . . 202 ARG CB . 25713 1 1050 . 1 . 1 217 217 ARG N N 15 124.445 0.014 . 1 . . . . . 202 ARG N . 25713 1 1051 . 1 . 1 218 218 CYS H H 1 9.901 0.001 . 1 . . . . . 203 CYS H . 25713 1 1052 . 1 . 1 218 218 CYS C C 13 172.450 0.005 . 1 . . . . . 203 CYS C . 25713 1 1053 . 1 . 1 218 218 CYS CA C 13 53.427 0.045 . 1 . . . . . 203 CYS CA . 25713 1 1054 . 1 . 1 218 218 CYS CB C 13 40.931 0.003 . 1 . . . . . 203 CYS CB . 25713 1 1055 . 1 . 1 218 218 CYS N N 15 128.832 0.021 . 1 . . . . . 203 CYS N . 25713 1 1056 . 1 . 1 219 219 TRP H H 1 9.421 0.004 . 1 . . . . . 204 TRP H . 25713 1 1057 . 1 . 1 219 219 TRP C C 13 175.137 0.723 . 1 . . . . . 204 TRP C . 25713 1 1058 . 1 . 1 219 219 TRP CA C 13 57.241 0.053 . 1 . . . . . 204 TRP CA . 25713 1 1059 . 1 . 1 219 219 TRP CB C 13 31.394 0.020 . 1 . . . . . 204 TRP CB . 25713 1 1060 . 1 . 1 219 219 TRP N N 15 127.099 0.063 . 1 . . . . . 204 TRP N . 25713 1 1061 . 1 . 1 220 220 ALA H H 1 9.012 0.001 . 1 . . . . . 205 ALA H . 25713 1 1062 . 1 . 1 220 220 ALA C C 13 175.462 0.007 . 1 . . . . . 205 ALA C . 25713 1 1063 . 1 . 1 220 220 ALA CA C 13 50.737 0.012 . 1 . . . . . 205 ALA CA . 25713 1 1064 . 1 . 1 220 220 ALA CB C 13 21.816 0.009 . 1 . . . . . 205 ALA CB . 25713 1 1065 . 1 . 1 220 220 ALA N N 15 121.056 0.015 . 1 . . . . . 205 ALA N . 25713 1 1066 . 1 . 1 221 221 LEU H H 1 9.326 0.001 . 1 . . . . . 206 LEU H . 25713 1 1067 . 1 . 1 221 221 LEU HD11 H 1 1.303 0.004 . 2 . . . . . 206 LEU HD11 . 25713 1 1068 . 1 . 1 221 221 LEU HD12 H 1 1.303 0.004 . 2 . . . . . 206 LEU HD12 . 25713 1 1069 . 1 . 1 221 221 LEU HD13 H 1 1.303 0.004 . 2 . . . . . 206 LEU HD13 . 25713 1 1070 . 1 . 1 221 221 LEU HD21 H 1 1.087 0.003 . 2 . . . . . 206 LEU HD21 . 25713 1 1071 . 1 . 1 221 221 LEU HD22 H 1 1.087 0.003 . 2 . . . . . 206 LEU HD22 . 25713 1 1072 . 1 . 1 221 221 LEU HD23 H 1 1.087 0.003 . 2 . . . . . 206 LEU HD23 . 25713 1 1073 . 1 . 1 221 221 LEU C C 13 177.890 0.017 . 1 . . . . . 206 LEU C . 25713 1 1074 . 1 . 1 221 221 LEU CA C 13 53.818 0.117 . 1 . . . . . 206 LEU CA . 25713 1 1075 . 1 . 1 221 221 LEU CB C 13 45.354 0.035 . 1 . . . . . 206 LEU CB . 25713 1 1076 . 1 . 1 221 221 LEU CD1 C 13 24.087 0.026 . 2 . . . . . 206 LEU CD1 . 25713 1 1077 . 1 . 1 221 221 LEU CD2 C 13 25.636 0.058 . 2 . . . . . 206 LEU CD2 . 25713 1 1078 . 1 . 1 221 221 LEU N N 15 122.399 0.015 . 1 . . . . . 206 LEU N . 25713 1 1079 . 1 . 1 222 222 GLY H H 1 8.630 0.004 . 1 . . . . . 207 GLY H . 25713 1 1080 . 1 . 1 222 222 GLY C C 13 174.149 0.002 . 1 . . . . . 207 GLY C . 25713 1 1081 . 1 . 1 222 222 GLY CA C 13 46.869 0.012 . 1 . . . . . 207 GLY CA . 25713 1 1082 . 1 . 1 222 222 GLY N N 15 111.477 0.025 . 1 . . . . . 207 GLY N . 25713 1 1083 . 1 . 1 223 223 PHE H H 1 7.544 0.001 . 1 . . . . . 208 PHE H . 25713 1 1084 . 1 . 1 223 223 PHE C C 13 174.986 0.025 . 1 . . . . . 208 PHE C . 25713 1 1085 . 1 . 1 223 223 PHE CA C 13 53.794 0.058 . 1 . . . . . 208 PHE CA . 25713 1 1086 . 1 . 1 223 223 PHE CB C 13 40.593 0.020 . 1 . . . . . 208 PHE CB . 25713 1 1087 . 1 . 1 223 223 PHE N N 15 112.780 0.067 . 1 . . . . . 208 PHE N . 25713 1 1088 . 1 . 1 224 224 TYR H H 1 9.092 0.002 . 1 . . . . . 209 TYR H . 25713 1 1089 . 1 . 1 224 224 TYR CA C 13 58.088 0.000 . 1 . . . . . 209 TYR CA . 25713 1 1090 . 1 . 1 224 224 TYR CB C 13 41.987 0.000 . 1 . . . . . 209 TYR CB . 25713 1 1091 . 1 . 1 224 224 TYR N N 15 120.802 0.014 . 1 . . . . . 209 TYR N . 25713 1 1092 . 1 . 1 225 225 PRO C C 13 175.212 0.000 . 1 . . . . . 210 PRO C . 25713 1 1093 . 1 . 1 225 225 PRO CA C 13 62.180 0.006 . 1 . . . . . 210 PRO CA . 25713 1 1094 . 1 . 1 225 225 PRO CB C 13 33.808 0.009 . 1 . . . . . 210 PRO CB . 25713 1 1095 . 1 . 1 226 226 ALA H H 1 8.234 0.005 . 1 . . . . . 211 ALA H . 25713 1 1096 . 1 . 1 226 226 ALA C C 13 175.222 0.000 . 1 . . . . . 211 ALA C . 25713 1 1097 . 1 . 1 226 226 ALA CA C 13 54.582 0.008 . 1 . . . . . 211 ALA CA . 25713 1 1098 . 1 . 1 226 226 ALA CB C 13 16.654 0.014 . 1 . . . . . 211 ALA CB . 25713 1 1099 . 1 . 1 226 226 ALA N N 15 119.771 0.058 . 1 . . . . . 211 ALA N . 25713 1 1100 . 1 . 1 227 227 GLU H H 1 7.405 0.003 . 1 . . . . . 212 GLU H . 25713 1 1101 . 1 . 1 227 227 GLU C C 13 173.994 0.012 . 1 . . . . . 212 GLU C . 25713 1 1102 . 1 . 1 227 227 GLU CA C 13 57.457 0.079 . 1 . . . . . 212 GLU CA . 25713 1 1103 . 1 . 1 227 227 GLU CB C 13 28.474 0.001 . 1 . . . . . 212 GLU CB . 25713 1 1104 . 1 . 1 227 227 GLU N N 15 119.244 0.012 . 1 . . . . . 212 GLU N . 25713 1 1105 . 1 . 1 228 228 ILE H H 1 7.505 0.001 . 1 . . . . . 213 ILE H . 25713 1 1106 . 1 . 1 228 228 ILE HD11 H 1 -0.516 0.002 . 1 . . . . . 213 ILE HD11 . 25713 1 1107 . 1 . 1 228 228 ILE HD12 H 1 -0.516 0.002 . 1 . . . . . 213 ILE HD12 . 25713 1 1108 . 1 . 1 228 228 ILE HD13 H 1 -0.516 0.002 . 1 . . . . . 213 ILE HD13 . 25713 1 1109 . 1 . 1 228 228 ILE C C 13 172.909 0.009 . 1 . . . . . 213 ILE C . 25713 1 1110 . 1 . 1 228 228 ILE CA C 13 60.515 0.094 . 1 . . . . . 213 ILE CA . 25713 1 1111 . 1 . 1 228 228 ILE CB C 13 39.338 0.011 . 1 . . . . . 213 ILE CB . 25713 1 1112 . 1 . 1 228 228 ILE CD1 C 13 12.804 0.047 . 1 . . . . . 213 ILE CD1 . 25713 1 1113 . 1 . 1 228 228 ILE N N 15 124.787 0.016 . 1 . . . . . 213 ILE N . 25713 1 1114 . 1 . 1 229 229 THR H H 1 8.242 0.003 . 1 . . . . . 214 THR H . 25713 1 1115 . 1 . 1 229 229 THR C C 13 172.499 0.012 . 1 . . . . . 214 THR C . 25713 1 1116 . 1 . 1 229 229 THR CA C 13 62.025 0.009 . 1 . . . . . 214 THR CA . 25713 1 1117 . 1 . 1 229 229 THR CB C 13 70.628 0.061 . 1 . . . . . 214 THR CB . 25713 1 1118 . 1 . 1 229 229 THR N N 15 120.832 0.029 . 1 . . . . . 214 THR N . 25713 1 1119 . 1 . 1 230 230 LEU H H 1 8.668 0.001 . 1 . . . . . 215 LEU H . 25713 1 1120 . 1 . 1 230 230 LEU HD11 H 1 0.727 0.002 . 1 . . . . . 215 LEU HD11 . 25713 1 1121 . 1 . 1 230 230 LEU HD12 H 1 0.727 0.002 . 1 . . . . . 215 LEU HD12 . 25713 1 1122 . 1 . 1 230 230 LEU HD13 H 1 0.727 0.002 . 1 . . . . . 215 LEU HD13 . 25713 1 1123 . 1 . 1 230 230 LEU C C 13 175.617 0.008 . 1 . . . . . 215 LEU C . 25713 1 1124 . 1 . 1 230 230 LEU CA C 13 53.664 0.078 . 1 . . . . . 215 LEU CA . 25713 1 1125 . 1 . 1 230 230 LEU CB C 13 44.853 0.031 . 1 . . . . . 215 LEU CB . 25713 1 1126 . 1 . 1 230 230 LEU CD1 C 13 25.835 0.025 . 1 . . . . . 215 LEU CD1 . 25713 1 1127 . 1 . 1 230 230 LEU N N 15 128.662 0.019 . 1 . . . . . 215 LEU N . 25713 1 1128 . 1 . 1 231 231 THR H H 1 8.627 0.003 . 1 . . . . . 216 THR H . 25713 1 1129 . 1 . 1 231 231 THR C C 13 173.289 0.014 . 1 . . . . . 216 THR C . 25713 1 1130 . 1 . 1 231 231 THR CA C 13 60.221 0.027 . 1 . . . . . 216 THR CA . 25713 1 1131 . 1 . 1 231 231 THR CB C 13 71.912 0.075 . 1 . . . . . 216 THR CB . 25713 1 1132 . 1 . 1 231 231 THR N N 15 115.984 0.054 . 1 . . . . . 216 THR N . 25713 1 1133 . 1 . 1 232 232 TRP H H 1 9.118 0.004 . 1 . . . . . 217 TRP H . 25713 1 1134 . 1 . 1 232 232 TRP C C 13 176.128 0.009 . 1 . . . . . 217 TRP C . 25713 1 1135 . 1 . 1 232 232 TRP CA C 13 56.704 0.004 . 1 . . . . . 217 TRP CA . 25713 1 1136 . 1 . 1 232 232 TRP CB C 13 32.002 0.001 . 1 . . . . . 217 TRP CB . 25713 1 1137 . 1 . 1 232 232 TRP N N 15 122.935 0.017 . 1 . . . . . 217 TRP N . 25713 1 1138 . 1 . 1 233 233 GLN H H 1 9.979 0.003 . 1 . . . . . 218 GLN H . 25713 1 1139 . 1 . 1 233 233 GLN C C 13 175.120 0.003 . 1 . . . . . 218 GLN C . 25713 1 1140 . 1 . 1 233 233 GLN CA C 13 53.905 0.033 . 1 . . . . . 218 GLN CA . 25713 1 1141 . 1 . 1 233 233 GLN CB C 13 31.670 0.037 . 1 . . . . . 218 GLN CB . 25713 1 1142 . 1 . 1 233 233 GLN N N 15 119.857 0.010 . 1 . . . . . 218 GLN N . 25713 1 1143 . 1 . 1 234 234 ARG H H 1 8.636 0.001 . 1 . . . . . 219 ARG H . 25713 1 1144 . 1 . 1 234 234 ARG C C 13 176.620 0.016 . 1 . . . . . 219 ARG C . 25713 1 1145 . 1 . 1 234 234 ARG CA C 13 54.325 0.068 . 1 . . . . . 219 ARG CA . 25713 1 1146 . 1 . 1 234 234 ARG CB C 13 31.662 0.000 . 1 . . . . . 219 ARG CB . 25713 1 1147 . 1 . 1 234 234 ARG N N 15 121.594 0.010 . 1 . . . . . 219 ARG N . 25713 1 1148 . 1 . 1 235 235 ASP H H 1 9.362 0.002 . 1 . . . . . 220 ASP H . 25713 1 1149 . 1 . 1 235 235 ASP C C 13 176.260 0.008 . 1 . . . . . 220 ASP C . 25713 1 1150 . 1 . 1 235 235 ASP CA C 13 55.444 0.075 . 1 . . . . . 220 ASP CA . 25713 1 1151 . 1 . 1 235 235 ASP CB C 13 39.416 0.007 . 1 . . . . . 220 ASP CB . 25713 1 1152 . 1 . 1 235 235 ASP N N 15 129.740 0.052 . 1 . . . . . 220 ASP N . 25713 1 1153 . 1 . 1 236 236 GLY H H 1 8.599 0.003 . 1 . . . . . 221 GLY H . 25713 1 1154 . 1 . 1 236 236 GLY C C 13 173.735 0.014 . 1 . . . . . 221 GLY C . 25713 1 1155 . 1 . 1 236 236 GLY CA C 13 45.276 0.007 . 1 . . . . . 221 GLY CA . 25713 1 1156 . 1 . 1 236 236 GLY N N 15 103.987 0.053 . 1 . . . . . 221 GLY N . 25713 1 1157 . 1 . 1 237 237 GLU H H 1 7.957 0.002 . 1 . . . . . 222 GLU H . 25713 1 1158 . 1 . 1 237 237 GLU C C 13 177.229 0.000 . 1 . . . . . 222 GLU C . 25713 1 1159 . 1 . 1 237 237 GLU CA C 13 54.467 0.000 . 1 . . . . . 222 GLU CA . 25713 1 1160 . 1 . 1 237 237 GLU CB C 13 30.600 0.000 . 1 . . . . . 222 GLU CB . 25713 1 1161 . 1 . 1 237 237 GLU N N 15 120.192 0.011 . 1 . . . . . 222 GLU N . 25713 1 1162 . 1 . 1 241 241 GLN C C 13 176.277 0.009 . 1 . . . . . 226 GLN C . 25713 1 1163 . 1 . 1 241 241 GLN CA C 13 57.490 0.056 . 1 . . . . . 226 GLN CA . 25713 1 1164 . 1 . 1 241 241 GLN CB C 13 28.028 0.020 . 1 . . . . . 226 GLN CB . 25713 1 1165 . 1 . 1 242 242 ASP H H 1 8.002 0.001 . 1 . . . . . 227 ASP H . 25713 1 1166 . 1 . 1 242 242 ASP C C 13 175.591 0.000 . 1 . . . . . 227 ASP C . 25713 1 1167 . 1 . 1 242 242 ASP CA C 13 54.425 0.007 . 1 . . . . . 227 ASP CA . 25713 1 1168 . 1 . 1 242 242 ASP CB C 13 41.558 0.010 . 1 . . . . . 227 ASP CB . 25713 1 1169 . 1 . 1 242 242 ASP N N 15 118.314 0.012 . 1 . . . . . 227 ASP N . 25713 1 1170 . 1 . 1 243 243 THR H H 1 7.659 0.001 . 1 . . . . . 228 THR H . 25713 1 1171 . 1 . 1 243 243 THR C C 13 173.960 0.006 . 1 . . . . . 228 THR C . 25713 1 1172 . 1 . 1 243 243 THR CA C 13 62.436 0.007 . 1 . . . . . 228 THR CA . 25713 1 1173 . 1 . 1 243 243 THR CB C 13 70.200 0.067 . 1 . . . . . 228 THR CB . 25713 1 1174 . 1 . 1 243 243 THR N N 15 116.236 0.029 . 1 . . . . . 228 THR N . 25713 1 1175 . 1 . 1 244 244 GLU H H 1 9.529 0.001 . 1 . . . . . 229 GLU H . 25713 1 1176 . 1 . 1 244 244 GLU C C 13 174.595 0.002 . 1 . . . . . 229 GLU C . 25713 1 1177 . 1 . 1 244 244 GLU CA C 13 55.192 0.029 . 1 . . . . . 229 GLU CA . 25713 1 1178 . 1 . 1 244 244 GLU CB C 13 30.875 0.005 . 1 . . . . . 229 GLU CB . 25713 1 1179 . 1 . 1 244 244 GLU N N 15 129.437 0.014 . 1 . . . . . 229 GLU N . 25713 1 1180 . 1 . 1 245 245 LEU H H 1 8.789 0.002 . 1 . . . . . 230 LEU H . 25713 1 1181 . 1 . 1 245 245 LEU HD11 H 1 1.074 0.003 . 1 . . . . . 230 LEU HD11 . 25713 1 1182 . 1 . 1 245 245 LEU HD12 H 1 1.074 0.003 . 1 . . . . . 230 LEU HD12 . 25713 1 1183 . 1 . 1 245 245 LEU HD13 H 1 1.074 0.003 . 1 . . . . . 230 LEU HD13 . 25713 1 1184 . 1 . 1 245 245 LEU C C 13 177.054 0.004 . 1 . . . . . 230 LEU C . 25713 1 1185 . 1 . 1 245 245 LEU CA C 13 53.572 0.086 . 1 . . . . . 230 LEU CA . 25713 1 1186 . 1 . 1 245 245 LEU CB C 13 44.339 0.043 . 1 . . . . . 230 LEU CB . 25713 1 1187 . 1 . 1 245 245 LEU CD1 C 13 25.275 0.043 . 1 . . . . . 230 LEU CD1 . 25713 1 1188 . 1 . 1 245 245 LEU N N 15 128.258 0.021 . 1 . . . . . 230 LEU N . 25713 1 1189 . 1 . 1 246 246 VAL H H 1 6.681 0.001 . 1 . . . . . 231 VAL H . 25713 1 1190 . 1 . 1 246 246 VAL HG11 H 1 0.041 0.002 . 2 . . . . . 231 VAL HG11 . 25713 1 1191 . 1 . 1 246 246 VAL HG12 H 1 0.041 0.002 . 2 . . . . . 231 VAL HG12 . 25713 1 1192 . 1 . 1 246 246 VAL HG13 H 1 0.041 0.002 . 2 . . . . . 231 VAL HG13 . 25713 1 1193 . 1 . 1 246 246 VAL HG21 H 1 -0.232 0.000 . 2 . . . . . 231 VAL HG21 . 25713 1 1194 . 1 . 1 246 246 VAL HG22 H 1 -0.232 0.000 . 2 . . . . . 231 VAL HG22 . 25713 1 1195 . 1 . 1 246 246 VAL HG23 H 1 -0.232 0.000 . 2 . . . . . 231 VAL HG23 . 25713 1 1196 . 1 . 1 246 246 VAL C C 13 175.882 0.000 . 1 . . . . . 231 VAL C . 25713 1 1197 . 1 . 1 246 246 VAL CA C 13 58.947 0.095 . 1 . . . . . 231 VAL CA . 25713 1 1198 . 1 . 1 246 246 VAL CB C 13 31.986 0.085 . 1 . . . . . 231 VAL CB . 25713 1 1199 . 1 . 1 246 246 VAL CG1 C 13 17.413 0.000 . 2 . . . . . 231 VAL CG1 . 25713 1 1200 . 1 . 1 246 246 VAL CG2 C 13 20.872 0.038 . 2 . . . . . 231 VAL CG2 . 25713 1 1201 . 1 . 1 246 246 VAL N N 15 116.352 0.018 . 1 . . . . . 231 VAL N . 25713 1 1202 . 1 . 1 247 247 GLU H H 1 8.311 0.001 . 1 . . . . . 232 GLU H . 25713 1 1203 . 1 . 1 247 247 GLU C C 13 176.005 0.000 . 1 . . . . . 232 GLU C . 25713 1 1204 . 1 . 1 247 247 GLU CA C 13 56.386 0.020 . 1 . . . . . 232 GLU CA . 25713 1 1205 . 1 . 1 247 247 GLU CB C 13 29.014 0.006 . 1 . . . . . 232 GLU CB . 25713 1 1206 . 1 . 1 247 247 GLU N N 15 124.174 0.012 . 1 . . . . . 232 GLU N . 25713 1 1207 . 1 . 1 248 248 THR H H 1 8.700 0.003 . 1 . . . . . 233 THR H . 25713 1 1208 . 1 . 1 248 248 THR C C 13 174.023 0.004 . 1 . . . . . 233 THR C . 25713 1 1209 . 1 . 1 248 248 THR CA C 13 64.325 0.041 . 1 . . . . . 233 THR CA . 25713 1 1210 . 1 . 1 248 248 THR CB C 13 68.342 0.086 . 1 . . . . . 233 THR CB . 25713 1 1211 . 1 . 1 248 248 THR N N 15 122.661 0.011 . 1 . . . . . 233 THR N . 25713 1 1212 . 1 . 1 249 249 ARG H H 1 8.972 0.002 . 1 . . . . . 234 ARG H . 25713 1 1213 . 1 . 1 249 249 ARG C C 13 172.664 0.000 . 1 . . . . . 234 ARG C . 25713 1 1214 . 1 . 1 249 249 ARG CA C 13 50.574 0.000 . 1 . . . . . 234 ARG CA . 25713 1 1215 . 1 . 1 249 249 ARG CB C 13 29.915 0.000 . 1 . . . . . 234 ARG CB . 25713 1 1216 . 1 . 1 249 249 ARG N N 15 125.107 0.014 . 1 . . . . . 234 ARG N . 25713 1 1217 . 1 . 1 250 250 PRO C C 13 177.603 0.015 . 1 . . . . . 235 PRO C . 25713 1 1218 . 1 . 1 250 250 PRO CA C 13 61.254 0.058 . 1 . . . . . 235 PRO CA . 25713 1 1219 . 1 . 1 250 250 PRO CB C 13 31.068 0.003 . 1 . . . . . 235 PRO CB . 25713 1 1220 . 1 . 1 251 251 ALA H H 1 9.027 0.002 . 1 . . . . . 236 ALA H . 25713 1 1221 . 1 . 1 251 251 ALA C C 13 178.277 0.003 . 1 . . . . . 236 ALA C . 25713 1 1222 . 1 . 1 251 251 ALA CA C 13 53.338 0.033 . 1 . . . . . 236 ALA CA . 25713 1 1223 . 1 . 1 251 251 ALA CB C 13 19.355 0.021 . 1 . . . . . 236 ALA CB . 25713 1 1224 . 1 . 1 251 251 ALA N N 15 125.783 0.022 . 1 . . . . . 236 ALA N . 25713 1 1225 . 1 . 1 252 252 GLY H H 1 8.615 0.003 . 1 . . . . . 237 GLY H . 25713 1 1226 . 1 . 1 252 252 GLY C C 13 172.645 0.011 . 1 . . . . . 237 GLY C . 25713 1 1227 . 1 . 1 252 252 GLY CA C 13 43.994 0.026 . 1 . . . . . 237 GLY CA . 25713 1 1228 . 1 . 1 252 252 GLY N N 15 106.331 0.050 . 1 . . . . . 237 GLY N . 25713 1 1229 . 1 . 1 253 253 ASP H H 1 7.454 0.004 . 1 . . . . . 238 ASP H . 25713 1 1230 . 1 . 1 253 253 ASP C C 13 175.566 0.033 . 1 . . . . . 238 ASP C . 25713 1 1231 . 1 . 1 253 253 ASP CA C 13 52.103 0.000 . 1 . . . . . 238 ASP CA . 25713 1 1232 . 1 . 1 253 253 ASP CB C 13 39.980 0.000 . 1 . . . . . 238 ASP CB . 25713 1 1233 . 1 . 1 253 253 ASP N N 15 120.189 0.040 . 1 . . . . . 238 ASP N . 25713 1 1234 . 1 . 1 254 254 ARG H H 1 7.971 0.004 . 1 . . . . . 239 ARG H . 25713 1 1235 . 1 . 1 254 254 ARG C C 13 175.887 0.046 . 1 . . . . . 239 ARG C . 25713 1 1236 . 1 . 1 254 254 ARG CA C 13 59.139 0.009 . 1 . . . . . 239 ARG CA . 25713 1 1237 . 1 . 1 254 254 ARG CB C 13 28.759 0.026 . 1 . . . . . 239 ARG CB . 25713 1 1238 . 1 . 1 254 254 ARG N N 15 116.547 0.073 . 1 . . . . . 239 ARG N . 25713 1 1239 . 1 . 1 255 255 THR H H 1 7.755 0.006 . 1 . . . . . 240 THR H . 25713 1 1240 . 1 . 1 255 255 THR CA C 13 60.978 0.079 . 1 . . . . . 240 THR CA . 25713 1 1241 . 1 . 1 255 255 THR CB C 13 71.596 0.061 . 1 . . . . . 240 THR CB . 25713 1 1242 . 1 . 1 255 255 THR N N 15 108.880 0.089 . 1 . . . . . 240 THR N . 25713 1 1243 . 1 . 1 256 256 PHE H H 1 8.755 0.003 . 1 . . . . . 241 PHE H . 25713 1 1244 . 1 . 1 256 256 PHE C C 13 172.432 0.014 . 1 . . . . . 241 PHE C . 25713 1 1245 . 1 . 1 256 256 PHE CA C 13 61.118 0.000 . 1 . . . . . 241 PHE CA . 25713 1 1246 . 1 . 1 256 256 PHE CB C 13 43.261 0.016 . 1 . . . . . 241 PHE CB . 25713 1 1247 . 1 . 1 256 256 PHE N N 15 120.012 0.038 . 1 . . . . . 241 PHE N . 25713 1 1248 . 1 . 1 257 257 GLN H H 1 8.696 0.001 . 1 . . . . . 242 GLN H . 25713 1 1249 . 1 . 1 257 257 GLN C C 13 175.841 0.007 . 1 . . . . . 242 GLN C . 25713 1 1250 . 1 . 1 257 257 GLN CA C 13 52.953 0.036 . 1 . . . . . 242 GLN CA . 25713 1 1251 . 1 . 1 257 257 GLN CB C 13 32.605 0.009 . 1 . . . . . 242 GLN CB . 25713 1 1252 . 1 . 1 257 257 GLN N N 15 112.208 0.025 . 1 . . . . . 242 GLN N . 25713 1 1253 . 1 . 1 258 258 LYS H H 1 9.661 0.002 . 1 . . . . . 243 LYS H . 25713 1 1254 . 1 . 1 258 258 LYS C C 13 172.338 0.007 . 1 . . . . . 243 LYS C . 25713 1 1255 . 1 . 1 258 258 LYS CA C 13 57.253 0.037 . 1 . . . . . 243 LYS CA . 25713 1 1256 . 1 . 1 258 258 LYS CB C 13 38.046 0.028 . 1 . . . . . 243 LYS CB . 25713 1 1257 . 1 . 1 258 258 LYS N N 15 120.994 0.058 . 1 . . . . . 243 LYS N . 25713 1 1258 . 1 . 1 259 259 TRP H H 1 6.302 0.002 . 1 . . . . . 244 TRP H . 25713 1 1259 . 1 . 1 259 259 TRP C C 13 174.301 0.007 . 1 . . . . . 244 TRP C . 25713 1 1260 . 1 . 1 259 259 TRP CA C 13 54.918 0.028 . 1 . . . . . 244 TRP CA . 25713 1 1261 . 1 . 1 259 259 TRP CB C 13 33.370 0.024 . 1 . . . . . 244 TRP CB . 25713 1 1262 . 1 . 1 259 259 TRP N N 15 116.595 0.015 . 1 . . . . . 244 TRP N . 25713 1 1263 . 1 . 1 260 260 ALA H H 1 8.779 0.002 . 1 . . . . . 245 ALA H . 25713 1 1264 . 1 . 1 260 260 ALA C C 13 177.777 0.021 . 1 . . . . . 245 ALA C . 25713 1 1265 . 1 . 1 260 260 ALA CA C 13 50.406 0.028 . 1 . . . . . 245 ALA CA . 25713 1 1266 . 1 . 1 260 260 ALA CB C 13 23.128 0.039 . 1 . . . . . 245 ALA CB . 25713 1 1267 . 1 . 1 260 260 ALA N N 15 119.528 0.017 . 1 . . . . . 245 ALA N . 25713 1 1268 . 1 . 1 261 261 ALA H H 1 10.771 0.003 . 1 . . . . . 246 ALA H . 25713 1 1269 . 1 . 1 261 261 ALA C C 13 174.946 0.011 . 1 . . . . . 246 ALA C . 25713 1 1270 . 1 . 1 261 261 ALA CA C 13 50.878 0.029 . 1 . . . . . 246 ALA CA . 25713 1 1271 . 1 . 1 261 261 ALA CB C 13 23.884 0.018 . 1 . . . . . 246 ALA CB . 25713 1 1272 . 1 . 1 261 261 ALA N N 15 131.743 0.030 . 1 . . . . . 246 ALA N . 25713 1 1273 . 1 . 1 262 262 VAL H H 1 8.361 0.004 . 1 . . . . . 247 VAL H . 25713 1 1274 . 1 . 1 262 262 VAL HG11 H 1 0.106 0.001 . 2 . . . . . 247 VAL HG11 . 25713 1 1275 . 1 . 1 262 262 VAL HG12 H 1 0.106 0.001 . 2 . . . . . 247 VAL HG12 . 25713 1 1276 . 1 . 1 262 262 VAL HG13 H 1 0.106 0.001 . 2 . . . . . 247 VAL HG13 . 25713 1 1277 . 1 . 1 262 262 VAL HG21 H 1 0.046 0.003 . 2 . . . . . 247 VAL HG21 . 25713 1 1278 . 1 . 1 262 262 VAL HG22 H 1 0.046 0.003 . 2 . . . . . 247 VAL HG22 . 25713 1 1279 . 1 . 1 262 262 VAL HG23 H 1 0.046 0.003 . 2 . . . . . 247 VAL HG23 . 25713 1 1280 . 1 . 1 262 262 VAL C C 13 172.722 0.007 . 1 . . . . . 247 VAL C . 25713 1 1281 . 1 . 1 262 262 VAL CA C 13 59.045 0.087 . 1 . . . . . 247 VAL CA . 25713 1 1282 . 1 . 1 262 262 VAL CB C 13 34.938 0.046 . 1 . . . . . 247 VAL CB . 25713 1 1283 . 1 . 1 262 262 VAL CG1 C 13 19.034 0.033 . 2 . . . . . 247 VAL CG1 . 25713 1 1284 . 1 . 1 262 262 VAL CG2 C 13 20.286 0.040 . 2 . . . . . 247 VAL CG2 . 25713 1 1285 . 1 . 1 262 262 VAL N N 15 117.856 0.008 . 1 . . . . . 247 VAL N . 25713 1 1286 . 1 . 1 263 263 VAL H H 1 8.177 0.001 . 1 . . . . . 248 VAL H . 25713 1 1287 . 1 . 1 263 263 VAL HG11 H 1 0.660 0.001 . 2 . . . . . 248 VAL HG11 . 25713 1 1288 . 1 . 1 263 263 VAL HG12 H 1 0.660 0.001 . 2 . . . . . 248 VAL HG12 . 25713 1 1289 . 1 . 1 263 263 VAL HG13 H 1 0.660 0.001 . 2 . . . . . 248 VAL HG13 . 25713 1 1290 . 1 . 1 263 263 VAL HG21 H 1 0.849 0.003 . 2 . . . . . 248 VAL HG21 . 25713 1 1291 . 1 . 1 263 263 VAL HG22 H 1 0.849 0.003 . 2 . . . . . 248 VAL HG22 . 25713 1 1292 . 1 . 1 263 263 VAL HG23 H 1 0.849 0.003 . 2 . . . . . 248 VAL HG23 . 25713 1 1293 . 1 . 1 263 263 VAL C C 13 176.144 0.008 . 1 . . . . . 248 VAL C . 25713 1 1294 . 1 . 1 263 263 VAL CA C 13 61.846 0.084 . 1 . . . . . 248 VAL CA . 25713 1 1295 . 1 . 1 263 263 VAL CB C 13 30.907 0.021 . 1 . . . . . 248 VAL CB . 25713 1 1296 . 1 . 1 263 263 VAL CG1 C 13 21.300 0.034 . 2 . . . . . 248 VAL CG1 . 25713 1 1297 . 1 . 1 263 263 VAL CG2 C 13 21.061 0.069 . 2 . . . . . 248 VAL CG2 . 25713 1 1298 . 1 . 1 263 263 VAL N N 15 126.030 0.016 . 1 . . . . . 248 VAL N . 25713 1 1299 . 1 . 1 264 264 VAL H H 1 9.237 0.002 . 1 . . . . . 249 VAL H . 25713 1 1300 . 1 . 1 264 264 VAL HG11 H 1 0.313 0.003 . 2 . . . . . 249 VAL HG11 . 25713 1 1301 . 1 . 1 264 264 VAL HG12 H 1 0.313 0.003 . 2 . . . . . 249 VAL HG12 . 25713 1 1302 . 1 . 1 264 264 VAL HG13 H 1 0.313 0.003 . 2 . . . . . 249 VAL HG13 . 25713 1 1303 . 1 . 1 264 264 VAL HG21 H 1 -0.284 0.004 . 2 . . . . . 249 VAL HG21 . 25713 1 1304 . 1 . 1 264 264 VAL HG22 H 1 -0.284 0.004 . 2 . . . . . 249 VAL HG22 . 25713 1 1305 . 1 . 1 264 264 VAL HG23 H 1 -0.284 0.004 . 2 . . . . . 249 VAL HG23 . 25713 1 1306 . 1 . 1 264 264 VAL C C 13 172.553 0.000 . 1 . . . . . 249 VAL C . 25713 1 1307 . 1 . 1 264 264 VAL CA C 13 56.551 0.075 . 1 . . . . . 249 VAL CA . 25713 1 1308 . 1 . 1 264 264 VAL CB C 13 32.082 0.058 . 1 . . . . . 249 VAL CB . 25713 1 1309 . 1 . 1 264 264 VAL CG1 C 13 18.270 0.048 . 2 . . . . . 249 VAL CG1 . 25713 1 1310 . 1 . 1 264 264 VAL CG2 C 13 20.458 0.031 . 2 . . . . . 249 VAL CG2 . 25713 1 1311 . 1 . 1 264 264 VAL N N 15 124.270 0.116 . 1 . . . . . 249 VAL N . 25713 1 1312 . 1 . 1 265 265 PRO C C 13 177.827 0.015 . 1 . . . . . 250 PRO C . 25713 1 1313 . 1 . 1 265 265 PRO CA C 13 61.185 0.071 . 1 . . . . . 250 PRO CA . 25713 1 1314 . 1 . 1 265 265 PRO CB C 13 31.071 0.005 . 1 . . . . . 250 PRO CB . 25713 1 1315 . 1 . 1 266 266 SER H H 1 8.085 0.002 . 1 . . . . . 251 SER H . 25713 1 1316 . 1 . 1 266 266 SER C C 13 176.351 0.021 . 1 . . . . . 251 SER C . 25713 1 1317 . 1 . 1 266 266 SER CA C 13 59.415 0.058 . 1 . . . . . 251 SER CA . 25713 1 1318 . 1 . 1 266 266 SER CB C 13 62.458 0.113 . 1 . . . . . 251 SER CB . 25713 1 1319 . 1 . 1 266 266 SER N N 15 120.332 0.009 . 1 . . . . . 251 SER N . 25713 1 1320 . 1 . 1 267 267 GLY H H 1 9.568 0.003 . 1 . . . . . 252 GLY H . 25713 1 1321 . 1 . 1 267 267 GLY C C 13 175.781 0.009 . 1 . . . . . 252 GLY C . 25713 1 1322 . 1 . 1 267 267 GLY CA C 13 45.180 0.012 . 1 . . . . . 252 GLY CA . 25713 1 1323 . 1 . 1 267 267 GLY N N 15 117.831 0.007 . 1 . . . . . 252 GLY N . 25713 1 1324 . 1 . 1 268 268 GLU H H 1 8.210 0.002 . 1 . . . . . 253 GLU H . 25713 1 1325 . 1 . 1 268 268 GLU C C 13 177.594 0.002 . 1 . . . . . 253 GLU C . 25713 1 1326 . 1 . 1 268 268 GLU CA C 13 55.634 0.080 . 1 . . . . . 253 GLU CA . 25713 1 1327 . 1 . 1 268 268 GLU CB C 13 29.196 0.056 . 1 . . . . . 253 GLU CB . 25713 1 1328 . 1 . 1 268 268 GLU N N 15 119.943 0.015 . 1 . . . . . 253 GLU N . 25713 1 1329 . 1 . 1 269 269 GLU H H 1 10.433 0.003 . 1 . . . . . 254 GLU H . 25713 1 1330 . 1 . 1 269 269 GLU C C 13 179.086 0.013 . 1 . . . . . 254 GLU C . 25713 1 1331 . 1 . 1 269 269 GLU CA C 13 62.228 0.007 . 1 . . . . . 254 GLU CA . 25713 1 1332 . 1 . 1 269 269 GLU CB C 13 29.088 0.020 . 1 . . . . . 254 GLU CB . 25713 1 1333 . 1 . 1 269 269 GLU N N 15 121.348 0.024 . 1 . . . . . 254 GLU N . 25713 1 1334 . 1 . 1 270 270 GLN H H 1 9.069 0.003 . 1 . . . . . 255 GLN H . 25713 1 1335 . 1 . 1 270 270 GLN C C 13 177.156 0.005 . 1 . . . . . 255 GLN C . 25713 1 1336 . 1 . 1 270 270 GLN CA C 13 57.525 0.078 . 1 . . . . . 255 GLN CA . 25713 1 1337 . 1 . 1 270 270 GLN CB C 13 27.088 0.028 . 1 . . . . . 255 GLN CB . 25713 1 1338 . 1 . 1 270 270 GLN N N 15 114.626 0.031 . 1 . . . . . 255 GLN N . 25713 1 1339 . 1 . 1 271 271 ARG H H 1 8.332 0.002 . 1 . . . . . 256 ARG H . 25713 1 1340 . 1 . 1 271 271 ARG C C 13 176.362 0.034 . 1 . . . . . 256 ARG C . 25713 1 1341 . 1 . 1 271 271 ARG CA C 13 56.895 0.064 . 1 . . . . . 256 ARG CA . 25713 1 1342 . 1 . 1 271 271 ARG CB C 13 30.023 0.017 . 1 . . . . . 256 ARG CB . 25713 1 1343 . 1 . 1 271 271 ARG N N 15 118.730 0.012 . 1 . . . . . 256 ARG N . 25713 1 1344 . 1 . 1 272 272 TYR H H 1 8.063 0.004 . 1 . . . . . 257 TYR H . 25713 1 1345 . 1 . 1 272 272 TYR CA C 13 57.382 0.069 . 1 . . . . . 257 TYR CA . 25713 1 1346 . 1 . 1 272 272 TYR CB C 13 39.548 0.012 . 1 . . . . . 257 TYR CB . 25713 1 1347 . 1 . 1 272 272 TYR N N 15 120.778 0.072 . 1 . . . . . 257 TYR N . 25713 1 1348 . 1 . 1 273 273 THR H H 1 9.431 0.001 . 1 . . . . . 258 THR H . 25713 1 1349 . 1 . 1 273 273 THR C C 13 172.368 0.027 . 1 . . . . . 258 THR C . 25713 1 1350 . 1 . 1 273 273 THR CA C 13 59.102 0.069 . 1 . . . . . 258 THR CA . 25713 1 1351 . 1 . 1 273 273 THR CB C 13 70.903 0.044 . 1 . . . . . 258 THR CB . 25713 1 1352 . 1 . 1 273 273 THR N N 15 113.888 0.022 . 1 . . . . . 258 THR N . 25713 1 1353 . 1 . 1 274 274 CYS H H 1 9.191 0.002 . 1 . . . . . 259 CYS H . 25713 1 1354 . 1 . 1 274 274 CYS CA C 13 51.719 0.064 . 1 . . . . . 259 CYS CA . 25713 1 1355 . 1 . 1 274 274 CYS CB C 13 40.245 0.022 . 1 . . . . . 259 CYS CB . 25713 1 1356 . 1 . 1 274 274 CYS N N 15 125.446 0.009 . 1 . . . . . 259 CYS N . 25713 1 1357 . 1 . 1 275 275 HIS H H 1 9.288 0.002 . 1 . . . . . 260 HIS H . 25713 1 1358 . 1 . 1 275 275 HIS C C 13 174.919 0.018 . 1 . . . . . 260 HIS C . 25713 1 1359 . 1 . 1 275 275 HIS CA C 13 54.430 0.017 . 1 . . . . . 260 HIS CA . 25713 1 1360 . 1 . 1 275 275 HIS CB C 13 30.730 0.007 . 1 . . . . . 260 HIS CB . 25713 1 1361 . 1 . 1 275 275 HIS N N 15 129.227 0.021 . 1 . . . . . 260 HIS N . 25713 1 1362 . 1 . 1 276 276 VAL H H 1 8.558 0.002 . 1 . . . . . 261 VAL H . 25713 1 1363 . 1 . 1 276 276 VAL HG11 H 1 0.664 0.002 . 2 . . . . . 261 VAL HG11 . 25713 1 1364 . 1 . 1 276 276 VAL HG12 H 1 0.664 0.002 . 2 . . . . . 261 VAL HG12 . 25713 1 1365 . 1 . 1 276 276 VAL HG13 H 1 0.664 0.002 . 2 . . . . . 261 VAL HG13 . 25713 1 1366 . 1 . 1 276 276 VAL HG21 H 1 0.721 0.003 . 2 . . . . . 261 VAL HG21 . 25713 1 1367 . 1 . 1 276 276 VAL HG22 H 1 0.721 0.003 . 2 . . . . . 261 VAL HG22 . 25713 1 1368 . 1 . 1 276 276 VAL HG23 H 1 0.721 0.003 . 2 . . . . . 261 VAL HG23 . 25713 1 1369 . 1 . 1 276 276 VAL CA C 13 60.442 0.110 . 1 . . . . . 261 VAL CA . 25713 1 1370 . 1 . 1 276 276 VAL CB C 13 33.795 0.027 . 1 . . . . . 261 VAL CB . 25713 1 1371 . 1 . 1 276 276 VAL CG1 C 13 20.847 0.037 . 2 . . . . . 261 VAL CG1 . 25713 1 1372 . 1 . 1 276 276 VAL CG2 C 13 20.314 0.026 . 2 . . . . . 261 VAL CG2 . 25713 1 1373 . 1 . 1 276 276 VAL N N 15 125.388 0.051 . 1 . . . . . 261 VAL N . 25713 1 1374 . 1 . 1 277 277 GLN H H 1 8.568 0.002 . 1 . . . . . 262 GLN H . 25713 1 1375 . 1 . 1 277 277 GLN C C 13 173.932 0.007 . 1 . . . . . 262 GLN C . 25713 1 1376 . 1 . 1 277 277 GLN CB C 13 31.113 0.014 . 1 . . . . . 262 GLN CB . 25713 1 1377 . 1 . 1 277 277 GLN N N 15 125.002 0.030 . 1 . . . . . 262 GLN N . 25713 1 1378 . 1 . 1 278 278 HIS H H 1 8.133 0.002 . 1 . . . . . 263 HIS H . 25713 1 1379 . 1 . 1 278 278 HIS C C 13 175.302 0.008 . 1 . . . . . 263 HIS C . 25713 1 1380 . 1 . 1 278 278 HIS CA C 13 57.877 0.028 . 1 . . . . . 263 HIS CA . 25713 1 1381 . 1 . 1 278 278 HIS CB C 13 35.672 0.026 . 1 . . . . . 263 HIS CB . 25713 1 1382 . 1 . 1 278 278 HIS N N 15 123.306 0.013 . 1 . . . . . 263 HIS N . 25713 1 1383 . 1 . 1 279 279 GLU H H 1 8.391 0.001 . 1 . . . . . 264 GLU H . 25713 1 1384 . 1 . 1 279 279 GLU C C 13 177.092 0.007 . 1 . . . . . 264 GLU C . 25713 1 1385 . 1 . 1 279 279 GLU CA C 13 58.665 0.035 . 1 . . . . . 264 GLU CA . 25713 1 1386 . 1 . 1 279 279 GLU CB C 13 29.369 0.000 . 1 . . . . . 264 GLU CB . 25713 1 1387 . 1 . 1 279 279 GLU N N 15 127.445 0.022 . 1 . . . . . 264 GLU N . 25713 1 1388 . 1 . 1 280 280 GLY H H 1 10.711 0.002 . 1 . . . . . 265 GLY H . 25713 1 1389 . 1 . 1 280 280 GLY C C 13 173.437 0.012 . 1 . . . . . 265 GLY C . 25713 1 1390 . 1 . 1 280 280 GLY CA C 13 44.990 0.020 . 1 . . . . . 265 GLY CA . 25713 1 1391 . 1 . 1 280 280 GLY N N 15 110.973 0.036 . 1 . . . . . 265 GLY N . 25713 1 1392 . 1 . 1 281 281 LEU H H 1 8.119 0.002 . 1 . . . . . 266 LEU H . 25713 1 1393 . 1 . 1 281 281 LEU HD11 H 1 1.147 0.002 . 1 . . . . . 266 LEU HD11 . 25713 1 1394 . 1 . 1 281 281 LEU HD12 H 1 1.147 0.002 . 1 . . . . . 266 LEU HD12 . 25713 1 1395 . 1 . 1 281 281 LEU HD13 H 1 1.147 0.002 . 1 . . . . . 266 LEU HD13 . 25713 1 1396 . 1 . 1 281 281 LEU C C 13 175.717 0.000 . 1 . . . . . 266 LEU C . 25713 1 1397 . 1 . 1 281 281 LEU CA C 13 51.103 0.109 . 1 . . . . . 266 LEU CA . 25713 1 1398 . 1 . 1 281 281 LEU CB C 13 41.534 0.011 . 1 . . . . . 266 LEU CB . 25713 1 1399 . 1 . 1 281 281 LEU CD1 C 13 23.410 0.045 . 1 . . . . . 266 LEU CD1 . 25713 1 1400 . 1 . 1 281 281 LEU N N 15 122.358 0.012 . 1 . . . . . 266 LEU N . 25713 1 1401 . 1 . 1 282 282 PRO C C 13 175.933 0.013 . 1 . . . . . 267 PRO C . 25713 1 1402 . 1 . 1 282 282 PRO CA C 13 63.388 0.034 . 1 . . . . . 267 PRO CA . 25713 1 1403 . 1 . 1 282 282 PRO CB C 13 30.888 0.005 . 1 . . . . . 267 PRO CB . 25713 1 1404 . 1 . 1 283 283 LYS H H 1 8.013 0.003 . 1 . . . . . 268 LYS H . 25713 1 1405 . 1 . 1 283 283 LYS CA C 13 54.037 0.000 . 1 . . . . . 268 LYS CA . 25713 1 1406 . 1 . 1 283 283 LYS CB C 13 32.043 0.000 . 1 . . . . . 268 LYS CB . 25713 1 1407 . 1 . 1 283 283 LYS N N 15 121.249 0.031 . 1 . . . . . 268 LYS N . 25713 1 1408 . 1 . 1 284 284 PRO C C 13 176.901 0.044 . 1 . . . . . 269 PRO C . 25713 1 1409 . 1 . 1 284 284 PRO CA C 13 63.123 0.075 . 1 . . . . . 269 PRO CA . 25713 1 1410 . 1 . 1 284 284 PRO CB C 13 31.650 0.016 . 1 . . . . . 269 PRO CB . 25713 1 1411 . 1 . 1 285 285 LEU H H 1 8.415 0.001 . 1 . . . . . 270 LEU H . 25713 1 1412 . 1 . 1 285 285 LEU HD11 H 1 0.717 0.003 . 1 . . . . . 270 LEU HD11 . 25713 1 1413 . 1 . 1 285 285 LEU HD12 H 1 0.717 0.003 . 1 . . . . . 270 LEU HD12 . 25713 1 1414 . 1 . 1 285 285 LEU HD13 H 1 0.717 0.003 . 1 . . . . . 270 LEU HD13 . 25713 1 1415 . 1 . 1 285 285 LEU C C 13 176.837 0.009 . 1 . . . . . 270 LEU C . 25713 1 1416 . 1 . 1 285 285 LEU CA C 13 53.635 0.076 . 1 . . . . . 270 LEU CA . 25713 1 1417 . 1 . 1 285 285 LEU CB C 13 44.654 0.072 . 1 . . . . . 270 LEU CB . 25713 1 1418 . 1 . 1 285 285 LEU CD1 C 13 25.409 0.027 . 1 . . . . . 270 LEU CD1 . 25713 1 1419 . 1 . 1 285 285 LEU N N 15 123.755 0.029 . 1 . . . . . 270 LEU N . 25713 1 1420 . 1 . 1 286 286 THR H H 1 8.332 0.002 . 1 . . . . . 271 THR H . 25713 1 1421 . 1 . 1 286 286 THR C C 13 173.911 0.005 . 1 . . . . . 271 THR C . 25713 1 1422 . 1 . 1 286 286 THR CA C 13 61.043 0.082 . 1 . . . . . 271 THR CA . 25713 1 1423 . 1 . 1 286 286 THR CB C 13 70.007 0.066 . 1 . . . . . 271 THR CB . 25713 1 1424 . 1 . 1 286 286 THR N N 15 117.685 0.055 . 1 . . . . . 271 THR N . 25713 1 1425 . 1 . 1 287 287 LEU H H 1 9.515 0.003 . 1 . . . . . 272 LEU H . 25713 1 1426 . 1 . 1 287 287 LEU HD11 H 1 0.903 0.001 . 2 . . . . . 272 LEU HD11 . 25713 1 1427 . 1 . 1 287 287 LEU HD12 H 1 0.903 0.001 . 2 . . . . . 272 LEU HD12 . 25713 1 1428 . 1 . 1 287 287 LEU HD13 H 1 0.903 0.001 . 2 . . . . . 272 LEU HD13 . 25713 1 1429 . 1 . 1 287 287 LEU HD21 H 1 0.867 0.001 . 2 . . . . . 272 LEU HD21 . 25713 1 1430 . 1 . 1 287 287 LEU HD22 H 1 0.867 0.001 . 2 . . . . . 272 LEU HD22 . 25713 1 1431 . 1 . 1 287 287 LEU HD23 H 1 0.867 0.001 . 2 . . . . . 272 LEU HD23 . 25713 1 1432 . 1 . 1 287 287 LEU C C 13 175.106 0.019 . 1 . . . . . 272 LEU C . 25713 1 1433 . 1 . 1 287 287 LEU CA C 13 54.417 0.121 . 1 . . . . . 272 LEU CA . 25713 1 1434 . 1 . 1 287 287 LEU CB C 13 44.500 0.044 . 1 . . . . . 272 LEU CB . 25713 1 1435 . 1 . 1 287 287 LEU CD1 C 13 24.501 0.049 . 2 . . . . . 272 LEU CD1 . 25713 1 1436 . 1 . 1 287 287 LEU CD2 C 13 26.023 0.055 . 2 . . . . . 272 LEU CD2 . 25713 1 1437 . 1 . 1 287 287 LEU N N 15 127.394 0.027 . 1 . . . . . 272 LEU N . 25713 1 1438 . 1 . 1 288 288 ARG H H 1 8.459 0.002 . 1 . . . . . 273 ARG H . 25713 1 1439 . 1 . 1 288 288 ARG C C 13 175.396 0.006 . 1 . . . . . 273 ARG C . 25713 1 1440 . 1 . 1 288 288 ARG CA C 13 54.251 0.020 . 1 . . . . . 273 ARG CA . 25713 1 1441 . 1 . 1 288 288 ARG CB C 13 33.677 0.012 . 1 . . . . . 273 ARG CB . 25713 1 1442 . 1 . 1 288 288 ARG N N 15 118.715 0.012 . 1 . . . . . 273 ARG N . 25713 1 1443 . 1 . 1 289 289 TRP H H 1 9.792 0.002 . 1 . . . . . 274 TRP H . 25713 1 1444 . 1 . 1 289 289 TRP C C 13 174.869 0.007 . 1 . . . . . 274 TRP C . 25713 1 1445 . 1 . 1 289 289 TRP CA C 13 58.110 0.012 . 1 . . . . . 274 TRP CA . 25713 1 1446 . 1 . 1 289 289 TRP CB C 13 28.814 0.008 . 1 . . . . . 274 TRP CB . 25713 1 1447 . 1 . 1 289 289 TRP N N 15 123.855 0.009 . 1 . . . . . 274 TRP N . 25713 1 1448 . 1 . 1 290 290 GLU H H 1 7.686 0.001 . 1 . . . . . 275 GLU H . 25713 1 1449 . 1 . 1 290 290 GLU C C 13 172.790 0.000 . 1 . . . . . 275 GLU C . 25713 1 1450 . 1 . 1 290 290 GLU CA C 13 52.523 0.000 . 1 . . . . . 275 GLU CA . 25713 1 1451 . 1 . 1 290 290 GLU CB C 13 30.310 0.000 . 1 . . . . . 275 GLU CB . 25713 1 1452 . 1 . 1 290 290 GLU N N 15 128.452 0.011 . 1 . . . . . 275 GLU N . 25713 1 1453 . 1 . 1 291 291 PRO C C 13 176.365 0.004 . 1 . . . . . 276 PRO C . 25713 1 1454 . 1 . 1 291 291 PRO CB C 13 31.125 0.000 . 1 . . . . . 276 PRO CB . 25713 1 1455 . 1 . 1 292 292 SER H H 1 7.772 0.001 . 1 . . . . . 277 SER H . 25713 1 1456 . 1 . 1 292 292 SER C C 13 178.935 0.000 . 1 . . . . . 277 SER C . 25713 1 1457 . 1 . 1 292 292 SER CA C 13 59.632 0.000 . 1 . . . . . 277 SER CA . 25713 1 1458 . 1 . 1 292 292 SER CB C 13 64.561 0.000 . 1 . . . . . 277 SER CB . 25713 1 1459 . 1 . 1 292 292 SER N N 15 121.927 0.006 . 1 . . . . . 277 SER N . 25713 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 25713 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _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 $sample_1 isotropic 25713 2 2 '3D HN(CO)CA' 1 $sample_1 isotropic 25713 2 3 '3D HNCACB' 1 $sample_1 isotropic 25713 2 4 '3D HN(CO)CACB' 1 $sample_1 isotropic 25713 2 5 '3D HNCO' 1 $sample_1 . 25713 2 6 '3D HN(CA)CO' 1 $sample_1 . 25713 2 7 '2D 1H-15N HSQC' 1 $sample_1 . 25713 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 . . 25713 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 28 28 SER H H 1 9.504 . . 1 . . 3304 . . 13 SER H . 25713 2 2 . 1 . 1 28 28 SER N N 15 122.276 . . 1 . . 3305 . . 13 SER N . 25713 2 3 . 1 . 1 37 37 PHE H H 1 9.228 . . 1 . . 3224 . . 22 PHE H . 25713 2 4 . 1 . 1 37 37 PHE N N 15 130.787 . . 1 . . 3225 . . 22 PHE N . 25713 2 5 . 1 . 1 50 50 ARG H H 1 8.332 . . 1 . . 3174 . . 35 ARG H . 25713 2 6 . 1 . 1 50 50 ARG N N 15 114.121 . . 1 . . 3175 . . 35 ARG N . 25713 2 7 . 1 . 1 52 52 ASP H H 1 7.975 . . 1 . . 3384 . . 37 ASP H . 25713 2 8 . 1 . 1 52 52 ASP N N 15 129.391 . . 1 . . 3385 . . 37 ASP N . 25713 2 9 . 1 . 1 53 53 SER H H 1 9.745 . . 1 . . 3206 . . 38 SER H . 25713 2 10 . 1 . 1 53 53 SER N N 15 122.813 . . 1 . . 3207 . . 38 SER N . 25713 2 11 . 1 . 1 126 126 ARG H H 1 7.263 . . 1 . . 3433 . . 111 ARG H . 25713 2 12 . 1 . 1 126 126 ARG N N 15 116.034 . . 1 . . 3434 . . 111 ARG N . 25713 2 13 . 1 . 1 135 135 GLY H H 1 9.37 . . 1 . . 3135 . . 120 GLY H . 25713 2 14 . 1 . 1 135 135 GLY N N 15 102.32 . . 1 . . 3136 . . 120 GLY N . 25713 2 15 . 1 . 1 141 141 LEU H H 1 9.17 . . 1 . . 3280 . . 126 LEU H . 25713 2 16 . 1 . 1 141 141 LEU N N 15 125.886 . . 1 . . 3281 . . 126 LEU N . 25713 2 17 . 1 . 1 145 145 LEU H H 1 8.697 . . 1 . . 3482 . . 130 LEU H . 25713 2 18 . 1 . 1 145 145 LEU N N 15 117.112 . . 1 . . 3483 . . 130 LEU N . 25713 2 19 . 1 . 1 150 150 ALA H H 1 9.179 . . 1 . . 3238 . . 135 ALA H . 25713 2 20 . 1 . 1 150 150 ALA N N 15 134.035 . . 1 . . 3239 . . 135 ALA N . 25713 2 21 . 1 . 1 157 157 ILE H H 1 7.75 . . 1 . . 3552 . . 142 ILE H . 25713 2 22 . 1 . 1 157 157 ILE N N 15 123.939 . . 1 . . 3553 . . 142 ILE N . 25713 2 23 . 1 . 1 246 246 VAL N N 15 116.359 . . 1 . . 4861 . . 231 VAL N . 25713 2 stop_ save_