data_52079 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52079 _Entry.Title ; CIN85(163-333)-R227A/R229A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-08-15 _Entry.Accession_date 2023-08-15 _Entry.Last_release_date 2023-08-16 _Entry.Original_release_date 2023-08-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 ; Assigned NMR chemical shifts of the intrinsically disordered linker region between the SH3B and SH3C domain of the multidomain scaffold protein CIN85. This is the entry for the R227A/R229A mutant of the construct,in which the interaction of the SH3C domain to the adjacent linker is perturbed by the two R/A mutations. ; _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 Daniel Sieme . . . 0000-0001-9000-9938 52079 2 Christian Griesinger . . . 0000-0002-1266-4344 52079 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Griesinger group; MPI-NAT Gottingen' . 52079 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52079 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 489 52079 '15N chemical shifts' 170 52079 '1H chemical shifts' 710 52079 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 . . 2024-01-11 2023-08-15 update BMRB 'update entry citation' 52079 1 . . 2023-12-19 2023-08-15 original author 'original release' 52079 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52080 'Entry for the R229A mutant of the construct.' 52079 BMRB 52081 'Entry for the wild-type construct.' 52079 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52079 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38111344 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Autoinhibition in the Signal Transducer CIN85 Modulates B Cell Activation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 146 _Citation.Journal_issue 1 _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 399 _Citation.Page_last 409 _Citation.Year 2024 _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 Daniel Sieme . . . . 52079 1 2 Michael Engelke . . . . 52079 1 3 Nasrollah Rezaei-Ghaleh . . . . 52079 1 4 Stefan Becker . . . . 52079 1 5 Jurgen Wienands . . . . 52079 1 6 Christian Griesinger . . . . 52079 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52079 _Assembly.ID 1 _Assembly.Name 'CIN85 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CIN85(163-333)_R227A-R229A 1 $entity_1 . . yes 'partially disordered' no no . . . 52079 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52079 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSGISQDEQLSKSSLRETTG SESDGGDSSSTKSEGANGTV ATAAIQPKKVKGVGFGDIFK DKPIKLAPASIEVENDFLPV EKTIGKKLPATTATPDSSKT EMDSRTKSKDYCKVIFPYEA QNDDELTIKEGDIVTLINKD CIDVGWWEGELNGRRGVFPD NFVKLLPPDFEKE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 161,G 162,S 163,G ...... 331,E 332,K 333,E ; _Entity.Polymer_author_seq_details ; The first two amino acids (161 and 162) remain after cleaving the purification tag and do not appear in the original protein sequence. ; _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 173 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment CIN85(163-333) _Entity.Mutation 'R227A, R229A' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18718.85 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q96B97 . 'SH3 domain-containing kinase-binding protein 1 (SH3K1)' . . . . . . . . . . . . . . 52079 1 stop_ 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 1 161 GLY . 52079 1 2 162 SER . 52079 1 3 163 GLY . 52079 1 4 164 ILE . 52079 1 5 165 SER . 52079 1 6 166 GLN . 52079 1 7 167 ASP . 52079 1 8 168 GLU . 52079 1 9 169 GLN . 52079 1 10 170 LEU . 52079 1 11 171 SER . 52079 1 12 172 LYS . 52079 1 13 173 SER . 52079 1 14 174 SER . 52079 1 15 175 LEU . 52079 1 16 176 ARG . 52079 1 17 177 GLU . 52079 1 18 178 THR . 52079 1 19 179 THR . 52079 1 20 180 GLY . 52079 1 21 181 SER . 52079 1 22 182 GLU . 52079 1 23 183 SER . 52079 1 24 184 ASP . 52079 1 25 185 GLY . 52079 1 26 186 GLY . 52079 1 27 187 ASP . 52079 1 28 188 SER . 52079 1 29 189 SER . 52079 1 30 190 SER . 52079 1 31 191 THR . 52079 1 32 192 LYS . 52079 1 33 193 SER . 52079 1 34 194 GLU . 52079 1 35 195 GLY . 52079 1 36 196 ALA . 52079 1 37 197 ASN . 52079 1 38 198 GLY . 52079 1 39 199 THR . 52079 1 40 200 VAL . 52079 1 41 201 ALA . 52079 1 42 202 THR . 52079 1 43 203 ALA . 52079 1 44 204 ALA . 52079 1 45 205 ILE . 52079 1 46 206 GLN . 52079 1 47 207 PRO . 52079 1 48 208 LYS . 52079 1 49 209 LYS . 52079 1 50 210 VAL . 52079 1 51 211 LYS . 52079 1 52 212 GLY . 52079 1 53 213 VAL . 52079 1 54 214 GLY . 52079 1 55 215 PHE . 52079 1 56 216 GLY . 52079 1 57 217 ASP . 52079 1 58 218 ILE . 52079 1 59 219 PHE . 52079 1 60 220 LYS . 52079 1 61 221 ASP . 52079 1 62 222 LYS . 52079 1 63 223 PRO . 52079 1 64 224 ILE . 52079 1 65 225 LYS . 52079 1 66 226 LEU . 52079 1 67 227 ALA . 52079 1 68 228 PRO . 52079 1 69 229 ALA . 52079 1 70 230 SER . 52079 1 71 231 ILE . 52079 1 72 232 GLU . 52079 1 73 233 VAL . 52079 1 74 234 GLU . 52079 1 75 235 ASN . 52079 1 76 236 ASP . 52079 1 77 237 PHE . 52079 1 78 238 LEU . 52079 1 79 239 PRO . 52079 1 80 240 VAL . 52079 1 81 241 GLU . 52079 1 82 242 LYS . 52079 1 83 243 THR . 52079 1 84 244 ILE . 52079 1 85 245 GLY . 52079 1 86 246 LYS . 52079 1 87 247 LYS . 52079 1 88 248 LEU . 52079 1 89 249 PRO . 52079 1 90 250 ALA . 52079 1 91 251 THR . 52079 1 92 252 THR . 52079 1 93 253 ALA . 52079 1 94 254 THR . 52079 1 95 255 PRO . 52079 1 96 256 ASP . 52079 1 97 257 SER . 52079 1 98 258 SER . 52079 1 99 259 LYS . 52079 1 100 260 THR . 52079 1 101 261 GLU . 52079 1 102 262 MET . 52079 1 103 263 ASP . 52079 1 104 264 SER . 52079 1 105 265 ARG . 52079 1 106 266 THR . 52079 1 107 267 LYS . 52079 1 108 268 SER . 52079 1 109 269 LYS . 52079 1 110 270 ASP . 52079 1 111 271 TYR . 52079 1 112 272 CYS . 52079 1 113 273 LYS . 52079 1 114 274 VAL . 52079 1 115 275 ILE . 52079 1 116 276 PHE . 52079 1 117 277 PRO . 52079 1 118 278 TYR . 52079 1 119 279 GLU . 52079 1 120 280 ALA . 52079 1 121 281 GLN . 52079 1 122 282 ASN . 52079 1 123 283 ASP . 52079 1 124 284 ASP . 52079 1 125 285 GLU . 52079 1 126 286 LEU . 52079 1 127 287 THR . 52079 1 128 288 ILE . 52079 1 129 289 LYS . 52079 1 130 290 GLU . 52079 1 131 291 GLY . 52079 1 132 292 ASP . 52079 1 133 293 ILE . 52079 1 134 294 VAL . 52079 1 135 295 THR . 52079 1 136 296 LEU . 52079 1 137 297 ILE . 52079 1 138 298 ASN . 52079 1 139 299 LYS . 52079 1 140 300 ASP . 52079 1 141 301 CYS . 52079 1 142 302 ILE . 52079 1 143 303 ASP . 52079 1 144 304 VAL . 52079 1 145 305 GLY . 52079 1 146 306 TRP . 52079 1 147 307 TRP . 52079 1 148 308 GLU . 52079 1 149 309 GLY . 52079 1 150 310 GLU . 52079 1 151 311 LEU . 52079 1 152 312 ASN . 52079 1 153 313 GLY . 52079 1 154 314 ARG . 52079 1 155 315 ARG . 52079 1 156 316 GLY . 52079 1 157 317 VAL . 52079 1 158 318 PHE . 52079 1 159 319 PRO . 52079 1 160 320 ASP . 52079 1 161 321 ASN . 52079 1 162 322 PHE . 52079 1 163 323 VAL . 52079 1 164 324 LYS . 52079 1 165 325 LEU . 52079 1 166 326 LEU . 52079 1 167 327 PRO . 52079 1 168 328 PRO . 52079 1 169 329 ASP . 52079 1 170 330 PHE . 52079 1 171 331 GLU . 52079 1 172 332 LYS . 52079 1 173 333 GLU . 52079 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 52079 1 . SER 2 2 52079 1 . GLY 3 3 52079 1 . ILE 4 4 52079 1 . SER 5 5 52079 1 . GLN 6 6 52079 1 . ASP 7 7 52079 1 . GLU 8 8 52079 1 . GLN 9 9 52079 1 . LEU 10 10 52079 1 . SER 11 11 52079 1 . LYS 12 12 52079 1 . SER 13 13 52079 1 . SER 14 14 52079 1 . LEU 15 15 52079 1 . ARG 16 16 52079 1 . GLU 17 17 52079 1 . THR 18 18 52079 1 . THR 19 19 52079 1 . GLY 20 20 52079 1 . SER 21 21 52079 1 . GLU 22 22 52079 1 . SER 23 23 52079 1 . ASP 24 24 52079 1 . GLY 25 25 52079 1 . GLY 26 26 52079 1 . ASP 27 27 52079 1 . SER 28 28 52079 1 . SER 29 29 52079 1 . SER 30 30 52079 1 . THR 31 31 52079 1 . LYS 32 32 52079 1 . SER 33 33 52079 1 . GLU 34 34 52079 1 . GLY 35 35 52079 1 . ALA 36 36 52079 1 . ASN 37 37 52079 1 . GLY 38 38 52079 1 . THR 39 39 52079 1 . VAL 40 40 52079 1 . ALA 41 41 52079 1 . THR 42 42 52079 1 . ALA 43 43 52079 1 . ALA 44 44 52079 1 . ILE 45 45 52079 1 . GLN 46 46 52079 1 . PRO 47 47 52079 1 . LYS 48 48 52079 1 . LYS 49 49 52079 1 . VAL 50 50 52079 1 . LYS 51 51 52079 1 . GLY 52 52 52079 1 . VAL 53 53 52079 1 . GLY 54 54 52079 1 . PHE 55 55 52079 1 . GLY 56 56 52079 1 . ASP 57 57 52079 1 . ILE 58 58 52079 1 . PHE 59 59 52079 1 . LYS 60 60 52079 1 . ASP 61 61 52079 1 . LYS 62 62 52079 1 . PRO 63 63 52079 1 . ILE 64 64 52079 1 . LYS 65 65 52079 1 . LEU 66 66 52079 1 . ALA 67 67 52079 1 . PRO 68 68 52079 1 . ALA 69 69 52079 1 . SER 70 70 52079 1 . ILE 71 71 52079 1 . GLU 72 72 52079 1 . VAL 73 73 52079 1 . GLU 74 74 52079 1 . ASN 75 75 52079 1 . ASP 76 76 52079 1 . PHE 77 77 52079 1 . LEU 78 78 52079 1 . PRO 79 79 52079 1 . VAL 80 80 52079 1 . GLU 81 81 52079 1 . LYS 82 82 52079 1 . THR 83 83 52079 1 . ILE 84 84 52079 1 . GLY 85 85 52079 1 . LYS 86 86 52079 1 . LYS 87 87 52079 1 . LEU 88 88 52079 1 . PRO 89 89 52079 1 . ALA 90 90 52079 1 . THR 91 91 52079 1 . THR 92 92 52079 1 . ALA 93 93 52079 1 . THR 94 94 52079 1 . PRO 95 95 52079 1 . ASP 96 96 52079 1 . SER 97 97 52079 1 . SER 98 98 52079 1 . LYS 99 99 52079 1 . THR 100 100 52079 1 . GLU 101 101 52079 1 . MET 102 102 52079 1 . ASP 103 103 52079 1 . SER 104 104 52079 1 . ARG 105 105 52079 1 . THR 106 106 52079 1 . LYS 107 107 52079 1 . SER 108 108 52079 1 . LYS 109 109 52079 1 . ASP 110 110 52079 1 . TYR 111 111 52079 1 . CYS 112 112 52079 1 . LYS 113 113 52079 1 . VAL 114 114 52079 1 . ILE 115 115 52079 1 . PHE 116 116 52079 1 . PRO 117 117 52079 1 . TYR 118 118 52079 1 . GLU 119 119 52079 1 . ALA 120 120 52079 1 . GLN 121 121 52079 1 . ASN 122 122 52079 1 . ASP 123 123 52079 1 . ASP 124 124 52079 1 . GLU 125 125 52079 1 . LEU 126 126 52079 1 . THR 127 127 52079 1 . ILE 128 128 52079 1 . LYS 129 129 52079 1 . GLU 130 130 52079 1 . GLY 131 131 52079 1 . ASP 132 132 52079 1 . ILE 133 133 52079 1 . VAL 134 134 52079 1 . THR 135 135 52079 1 . LEU 136 136 52079 1 . ILE 137 137 52079 1 . ASN 138 138 52079 1 . LYS 139 139 52079 1 . ASP 140 140 52079 1 . CYS 141 141 52079 1 . ILE 142 142 52079 1 . ASP 143 143 52079 1 . VAL 144 144 52079 1 . GLY 145 145 52079 1 . TRP 146 146 52079 1 . TRP 147 147 52079 1 . GLU 148 148 52079 1 . GLY 149 149 52079 1 . GLU 150 150 52079 1 . LEU 151 151 52079 1 . ASN 152 152 52079 1 . GLY 153 153 52079 1 . ARG 154 154 52079 1 . ARG 155 155 52079 1 . GLY 156 156 52079 1 . VAL 157 157 52079 1 . PHE 158 158 52079 1 . PRO 159 159 52079 1 . ASP 160 160 52079 1 . ASN 161 161 52079 1 . PHE 162 162 52079 1 . VAL 163 163 52079 1 . LYS 164 164 52079 1 . LEU 165 165 52079 1 . LEU 166 166 52079 1 . PRO 167 167 52079 1 . PRO 168 168 52079 1 . ASP 169 169 52079 1 . PHE 170 170 52079 1 . GLU 171 171 52079 1 . LYS 172 172 52079 1 . GLU 173 173 52079 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52079 _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 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21(DE3) . . . . . . . . . . . . 52079 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52079 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pGEX4-T . . . 52079 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52079 _Sample.ID 1 _Sample.Name '13C 15N sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MES 'natural abundance' . . . . . . 20 . . mM . . . . 52079 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 52079 1 3 'CIN85 monomer' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 52079 1 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 52079 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 52079 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . '% w/v' . . . . 52079 1 7 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 52079 1 8 D2O 'natural abundance' . . . . . . 5 . . '% v/v' . . . . 52079 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52079 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Assignment Conditions' _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' 0.1 . M 52079 1 pH 6.0 . pH 52079 1 pressure 1 . atm 52079 1 temperature 298 . K 52079 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52079 _Software.ID 1 _Software.Type . _Software.Name POKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52079 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52079 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52079 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52079 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52079 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52079 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 700 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52079 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52079 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D (HACA)N(CA)CON' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 13C-detected 52079 1 2 '3D (H)CCCON' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 13C-detected 52079 1 3 '3D H(CC)CON' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 13C-detected 52079 1 4 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 13C-detected 52079 1 5 '2D (HACA)CON' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 13C-detected 52079 1 6 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52079 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52079 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52079 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52079 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52079 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52079 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'resonance assignment' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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 (HACA)N(CA)CON' . . . 52079 1 2 '3D (H)CCCON' . . . 52079 1 3 '3D H(CC)CON' . . . 52079 1 4 '3D HNCO' . . . 52079 1 5 '2D (HACA)CON' . . . 52079 1 6 '2D 1H-15N TROSY' . . . 52079 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 $software_1 . . 52079 1 2 $software_2 . . 52079 1 3 $software_3 . . 52079 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 1 1 GLY C C 13 170.442 0.000 . 1 . . . . . 161 G C . 52079 1 2 . 1 . 1 2 2 SER HA H 1 4.445 0.000 . 1 . . . . . 162 S HA . 52079 1 3 . 1 . 1 2 2 SER HB2 H 1 3.809 0.000 . 2 . . . . . 162 S HB* . 52079 1 4 . 1 . 1 2 2 SER HB3 H 1 3.809 0.000 . 2 . . . . . 162 S HB* . 52079 1 5 . 1 . 1 2 2 SER C C 13 174.913 0.004 . 1 . . . . . 162 S C . 52079 1 6 . 1 . 1 2 2 SER CA C 13 58.451 0.000 . 1 . . . . . 162 S CA . 52079 1 7 . 1 . 1 2 2 SER CB C 13 64.523 0.000 . 1 . . . . . 162 S CB . 52079 1 8 . 1 . 1 2 2 SER N N 15 115.805 0.008 . 1 . . . . . 162 S N . 52079 1 9 . 1 . 1 3 3 GLY H H 1 8.574 0.000 . 1 . . . . . 163 G H . 52079 1 10 . 1 . 1 3 3 GLY HA2 H 1 3.904 0.000 . 2 . . . . . 163 G HA* . 52079 1 11 . 1 . 1 3 3 GLY HA3 H 1 3.904 0.000 . 2 . . . . . 163 G HA* . 52079 1 12 . 1 . 1 3 3 GLY C C 13 173.994 0.005 . 1 . . . . . 163 G C . 52079 1 13 . 1 . 1 3 3 GLY CA C 13 45.278 0.000 . 1 . . . . . 163 G CA . 52079 1 14 . 1 . 1 3 3 GLY N N 15 111.270 0.013 . 1 . . . . . 163 G N . 52079 1 15 . 1 . 1 4 4 ILE H H 1 8.068 0.001 . 1 . . . . . 164 I H . 52079 1 16 . 1 . 1 4 4 ILE HA H 1 4.153 0.000 . 1 . . . . . 164 I HA . 52079 1 17 . 1 . 1 4 4 ILE HB H 1 1.780 0.000 . 1 . . . . . 164 I HB . 52079 1 18 . 1 . 1 4 4 ILE HG12 H 1 1.079 0.000 . 2 . . . . . 164 I HG12 . 52079 1 19 . 1 . 1 4 4 ILE HG13 H 1 1.349 0.000 . 2 . . . . . 164 I HG13 . 52079 1 20 . 1 . 1 4 4 ILE HG21 H 1 0.800 0.000 . 1 . . . . . 164 I HG2* . 52079 1 21 . 1 . 1 4 4 ILE HG22 H 1 0.800 0.000 . 1 . . . . . 164 I HG2* . 52079 1 22 . 1 . 1 4 4 ILE HG23 H 1 0.800 0.000 . 1 . . . . . 164 I HG2* . 52079 1 23 . 1 . 1 4 4 ILE C C 13 176.486 0.004 . 1 . . . . . 164 I C . 52079 1 24 . 1 . 1 4 4 ILE CA C 13 61.160 0.000 . 1 . . . . . 164 I CA . 52079 1 25 . 1 . 1 4 4 ILE CB C 13 38.877 0.000 . 1 . . . . . 164 I CB . 52079 1 26 . 1 . 1 4 4 ILE CG1 C 13 27.093 0.000 . 1 . . . . . 164 I CG1 . 52079 1 27 . 1 . 1 4 4 ILE CG2 C 13 17.498 0.000 . 1 . . . . . 164 I CG2 . 52079 1 28 . 1 . 1 4 4 ILE CD1 C 13 13.048 0.000 . 1 . . . . . 164 I CD1 . 52079 1 29 . 1 . 1 4 4 ILE N N 15 119.910 0.022 . 1 . . . . . 164 I N . 52079 1 30 . 1 . 1 5 5 SER H H 1 8.479 0.000 . 1 . . . . . 165 S H . 52079 1 31 . 1 . 1 5 5 SER HA H 1 4.364 0.000 . 1 . . . . . 165 S HA . 52079 1 32 . 1 . 1 5 5 SER HB2 H 1 3.802 0.000 . 2 . . . . . 165 S HB* . 52079 1 33 . 1 . 1 5 5 SER HB3 H 1 3.802 0.000 . 2 . . . . . 165 S HB* . 52079 1 34 . 1 . 1 5 5 SER C C 13 174.790 0.007 . 1 . . . . . 165 S C . 52079 1 35 . 1 . 1 5 5 SER CA C 13 58.370 0.000 . 1 . . . . . 165 S CA . 52079 1 36 . 1 . 1 5 5 SER CB C 13 64.267 0.000 . 1 . . . . . 165 S CB . 52079 1 37 . 1 . 1 5 5 SER N N 15 120.226 0.062 . 1 . . . . . 165 S N . 52079 1 38 . 1 . 1 6 6 GLN H H 1 8.564 0.000 . 1 . . . . . 166 Q H . 52079 1 39 . 1 . 1 6 6 GLN HA H 1 4.235 0.000 . 1 . . . . . 166 Q HA . 52079 1 40 . 1 . 1 6 6 GLN HB2 H 1 1.927 0.000 . 2 . . . . . 166 Q HB2 . 52079 1 41 . 1 . 1 6 6 GLN HB3 H 1 2.023 0.000 . 2 . . . . . 166 Q HB3 . 52079 1 42 . 1 . 1 6 6 GLN HG2 H 1 2.273 0.000 . 2 . . . . . 166 Q HG* . 52079 1 43 . 1 . 1 6 6 GLN HG3 H 1 2.273 0.000 . 2 . . . . . 166 Q HG* . 52079 1 44 . 1 . 1 6 6 GLN C C 13 176.014 0.004 . 1 . . . . . 166 Q C . 52079 1 45 . 1 . 1 6 6 GLN CA C 13 56.456 0.000 . 1 . . . . . 166 Q CA . 52079 1 46 . 1 . 1 6 6 GLN CB C 13 29.306 0.000 . 1 . . . . . 166 Q CB . 52079 1 47 . 1 . 1 6 6 GLN CG C 13 33.784 0.000 . 1 . . . . . 166 Q CG . 52079 1 48 . 1 . 1 6 6 GLN N N 15 122.735 0.028 . 1 . . . . . 166 Q N . 52079 1 49 . 1 . 1 7 7 ASP H H 1 8.327 0.000 . 1 . . . . . 167 D H . 52079 1 50 . 1 . 1 7 7 ASP HA H 1 4.457 0.000 . 1 . . . . . 167 D HA . 52079 1 51 . 1 . 1 7 7 ASP HB2 H 1 2.616 0.000 . 2 . . . . . 167 D HB2 . 52079 1 52 . 1 . 1 7 7 ASP HB3 H 1 2.520 0.000 . 2 . . . . . 167 D HB3 . 52079 1 53 . 1 . 1 7 7 ASP C C 13 176.860 0.004 . 1 . . . . . 167 D C . 52079 1 54 . 1 . 1 7 7 ASP CA C 13 55.038 0.000 . 1 . . . . . 167 D CA . 52079 1 55 . 1 . 1 7 7 ASP CB C 13 41.097 0.000 . 1 . . . . . 167 D CB . 52079 1 56 . 1 . 1 7 7 ASP N N 15 120.789 0.010 . 1 . . . . . 167 D N . 52079 1 57 . 1 . 1 8 8 GLU H H 1 8.332 0.001 . 1 . . . . . 168 E H . 52079 1 58 . 1 . 1 8 8 GLU HA H 1 4.126 0.000 . 1 . . . . . 168 E HA . 52079 1 59 . 1 . 1 8 8 GLU HB2 H 1 1.917 0.000 . 2 . . . . . 168 E HB* . 52079 1 60 . 1 . 1 8 8 GLU HB3 H 1 1.917 0.000 . 2 . . . . . 168 E HB* . 52079 1 61 . 1 . 1 8 8 GLU HG2 H 1 2.175 0.000 . 2 . . . . . 168 E HG* . 52079 1 62 . 1 . 1 8 8 GLU HG3 H 1 2.175 0.000 . 2 . . . . . 168 E HG* . 52079 1 63 . 1 . 1 8 8 GLU C C 13 177.069 0.005 . 1 . . . . . 168 E C . 52079 1 64 . 1 . 1 8 8 GLU CA C 13 57.426 0.000 . 1 . . . . . 168 E CA . 52079 1 65 . 1 . 1 8 8 GLU CB C 13 30.076 0.000 . 1 . . . . . 168 E CB . 52079 1 66 . 1 . 1 8 8 GLU CG C 13 36.290 0.000 . 1 . . . . . 168 E CG . 52079 1 67 . 1 . 1 8 8 GLU N N 15 121.650 0.018 . 1 . . . . . 168 E N . 52079 1 68 . 1 . 1 9 9 GLN H H 1 8.362 0.000 . 1 . . . . . 169 Q H . 52079 1 69 . 1 . 1 9 9 GLN HA H 1 4.157 0.000 . 1 . . . . . 169 Q HA . 52079 1 70 . 1 . 1 9 9 GLN HB2 H 1 1.982 0.000 . 2 . . . . . 169 Q HB* . 52079 1 71 . 1 . 1 9 9 GLN HB3 H 1 1.982 0.000 . 2 . . . . . 169 Q HB* . 52079 1 72 . 1 . 1 9 9 GLN HG2 H 1 2.282 0.000 . 2 . . . . . 169 Q HG* . 52079 1 73 . 1 . 1 9 9 GLN HG3 H 1 2.282 0.000 . 2 . . . . . 169 Q HG* . 52079 1 74 . 1 . 1 9 9 GLN C C 13 176.681 0.004 . 1 . . . . . 169 Q C . 52079 1 75 . 1 . 1 9 9 GLN CA C 13 56.623 0.000 . 1 . . . . . 169 Q CA . 52079 1 76 . 1 . 1 9 9 GLN CB C 13 28.983 0.000 . 1 . . . . . 169 Q CB . 52079 1 77 . 1 . 1 9 9 GLN CG C 13 33.856 0.000 . 1 . . . . . 169 Q CG . 52079 1 78 . 1 . 1 9 9 GLN N N 15 120.276 0.025 . 1 . . . . . 169 Q N . 52079 1 79 . 1 . 1 10 10 LEU H H 1 8.146 0.001 . 1 . . . . . 170 L H . 52079 1 80 . 1 . 1 10 10 LEU HA H 1 4.230 0.000 . 1 . . . . . 170 L HA . 52079 1 81 . 1 . 1 10 10 LEU HB2 H 1 1.556 0.000 . 2 . . . . . 170 L HB* . 52079 1 82 . 1 . 1 10 10 LEU HB3 H 1 1.556 0.000 . 2 . . . . . 170 L HB* . 52079 1 83 . 1 . 1 10 10 LEU HD11 H 1 0.812 0.000 . 2 . . . . . 170 L HD1* . 52079 1 84 . 1 . 1 10 10 LEU HD12 H 1 0.812 0.000 . 2 . . . . . 170 L HD1* . 52079 1 85 . 1 . 1 10 10 LEU HD13 H 1 0.812 0.000 . 2 . . . . . 170 L HD1* . 52079 1 86 . 1 . 1 10 10 LEU HD21 H 1 0.814 0.000 . 2 . . . . . 170 L HD2* . 52079 1 87 . 1 . 1 10 10 LEU HD22 H 1 0.814 0.000 . 2 . . . . . 170 L HD2* . 52079 1 88 . 1 . 1 10 10 LEU HD23 H 1 0.814 0.000 . 2 . . . . . 170 L HD2* . 52079 1 89 . 1 . 1 10 10 LEU C C 13 177.940 0.003 . 1 . . . . . 170 L C . 52079 1 90 . 1 . 1 10 10 LEU CA C 13 55.791 0.000 . 1 . . . . . 170 L CA . 52079 1 91 . 1 . 1 10 10 LEU CB C 13 42.218 0.000 . 1 . . . . . 170 L CB . 52079 1 92 . 1 . 1 10 10 LEU CG C 13 26.949 0.000 . 1 . . . . . 170 L CG . 52079 1 93 . 1 . 1 10 10 LEU CD1 C 13 23.353 0.000 . 2 . . . . . 170 L CD1 . 52079 1 94 . 1 . 1 10 10 LEU CD2 C 13 24.814 0.000 . 2 . . . . . 170 L CD2 . 52079 1 95 . 1 . 1 10 10 LEU N N 15 122.049 0.013 . 1 . . . . . 170 L N . 52079 1 96 . 1 . 1 11 11 SER H H 1 8.203 0.001 . 1 . . . . . 171 S H . 52079 1 97 . 1 . 1 11 11 SER HA H 1 4.313 0.000 . 1 . . . . . 171 S HA . 52079 1 98 . 1 . 1 11 11 SER C C 13 175.008 0.004 . 1 . . . . . 171 S C . 52079 1 99 . 1 . 1 11 11 SER CA C 13 58.784 0.000 . 1 . . . . . 171 S CA . 52079 1 100 . 1 . 1 11 11 SER CB C 13 63.966 0.000 . 1 . . . . . 171 S CB . 52079 1 101 . 1 . 1 11 11 SER N N 15 115.855 0.012 . 1 . . . . . 171 S N . 52079 1 102 . 1 . 1 12 12 LYS H H 1 8.246 0.000 . 1 . . . . . 172 K H . 52079 1 103 . 1 . 1 12 12 LYS HA H 1 4.257 0.000 . 1 . . . . . 172 K HA . 52079 1 104 . 1 . 1 12 12 LYS HB2 H 1 1.801 0.000 . 2 . . . . . 172 K HB* . 52079 1 105 . 1 . 1 12 12 LYS HB3 H 1 1.801 0.000 . 2 . . . . . 172 K HB* . 52079 1 106 . 1 . 1 12 12 LYS HG2 H 1 1.388 0.000 . 4 . . . . . 172 K HG* . 52079 1 107 . 1 . 1 12 12 LYS HG3 H 1 1.388 0.000 . 2 . . . . . 172 K HG* . 52079 1 108 . 1 . 1 12 12 LYS HD2 H 1 1.627 0.000 . 4 . . . . . 172 K HD* . 52079 1 109 . 1 . 1 12 12 LYS HD3 H 1 1.627 0.000 . 2 . . . . . 172 K HD* . 52079 1 110 . 1 . 1 12 12 LYS HE2 H 1 2.903 0.000 . 2 . . . . . 172 K HE* . 52079 1 111 . 1 . 1 12 12 LYS HE3 H 1 2.903 0.000 . 2 . . . . . 172 K HE* . 52079 1 112 . 1 . 1 12 12 LYS C C 13 177.027 0.004 . 1 . . . . . 172 K C . 52079 1 113 . 1 . 1 12 12 LYS CA C 13 56.781 0.000 . 1 . . . . . 172 K CA . 52079 1 114 . 1 . 1 12 12 LYS CB C 13 32.767 0.000 . 1 . . . . . 172 K CB . 52079 1 115 . 1 . 1 12 12 LYS CG C 13 24.743 0.000 . 1 . . . . . 172 K CG . 52079 1 116 . 1 . 1 12 12 LYS CD C 13 28.972 0.000 . 1 . . . . . 172 K CD . 52079 1 117 . 1 . 1 12 12 LYS CE C 13 42.201 0.000 . 1 . . . . . 172 K CE . 52079 1 118 . 1 . 1 12 12 LYS N N 15 122.803 0.029 . 1 . . . . . 172 K N . 52079 1 119 . 1 . 1 13 13 SER H H 1 8.259 0.000 . 1 . . . . . 173 S H . 52079 1 120 . 1 . 1 13 13 SER HA H 1 4.350 0.000 . 1 . . . . . 173 S HA . 52079 1 121 . 1 . 1 13 13 SER C C 13 169.014 17.608 . 1 . . . . . 173 S C . 52079 1 122 . 1 . 1 13 13 SER CA C 13 58.781 0.000 . 1 . . . . . 173 S CA . 52079 1 123 . 1 . 1 13 13 SER CB C 13 64.153 0.000 . 1 . . . . . 173 S CB . 52079 1 124 . 1 . 1 13 13 SER N N 15 116.209 0.012 . 1 . . . . . 173 S N . 52079 1 125 . 1 . 1 14 14 SER H H 1 8.292 0.001 . 1 . . . . . 174 S H . 52079 1 126 . 1 . 1 14 14 SER HA H 1 4.370 0.000 . 1 . . . . . 174 S HA . 52079 1 127 . 1 . 1 14 14 SER HB2 H 1 3.828 0.000 . 2 . . . . . 174 S HB* . 52079 1 128 . 1 . 1 14 14 SER HB3 H 1 3.828 0.000 . 2 . . . . . 174 S HB* . 52079 1 129 . 1 . 1 14 14 SER C C 13 174.542 0.006 . 1 . . . . . 174 S C . 52079 1 130 . 1 . 1 14 14 SER CA C 13 58.671 0.000 . 1 . . . . . 174 S CA . 52079 1 131 . 1 . 1 14 14 SER CB C 13 64.126 0.000 . 1 . . . . . 174 S CB . 52079 1 132 . 1 . 1 14 14 SER N N 15 117.913 0.040 . 1 . . . . . 174 S N . 52079 1 133 . 1 . 1 15 15 LEU H H 1 8.143 0.006 . 1 . . . . . 175 L H . 52079 1 134 . 1 . 1 15 15 LEU HA H 1 4.257 0.000 . 1 . . . . . 175 L HA . 52079 1 135 . 1 . 1 15 15 LEU HB2 H 1 1.541 0.000 . 2 . . . . . 175 L HB* . 52079 1 136 . 1 . 1 15 15 LEU HB3 H 1 1.541 0.000 . 2 . . . . . 175 L HB* . 52079 1 137 . 1 . 1 15 15 LEU HD11 H 1 0.805 0.012 . 2 . . . . . 175 L HD1* . 52079 1 138 . 1 . 1 15 15 LEU HD12 H 1 0.805 0.012 . 2 . . . . . 175 L HD1* . 52079 1 139 . 1 . 1 15 15 LEU HD13 H 1 0.805 0.012 . 2 . . . . . 175 L HD1* . 52079 1 140 . 1 . 1 15 15 LEU C C 13 177.351 0.003 . 1 . . . . . 175 L C . 52079 1 141 . 1 . 1 15 15 LEU CA C 13 55.561 0.000 . 1 . . . . . 175 L CA . 52079 1 142 . 1 . 1 15 15 LEU CB C 13 46.654 0.000 . 1 . . . . . 175 L CB . 52079 1 143 . 1 . 1 15 15 LEU CG C 13 26.904 0.000 . 1 . . . . . 175 L CG . 52079 1 144 . 1 . 1 15 15 LEU CD1 C 13 24.860 0.000 . 2 . . . . . 175 L CD1 . 52079 1 145 . 1 . 1 15 15 LEU CD2 C 13 23.443 0.000 . 2 . . . . . 175 L CD2 . 52079 1 146 . 1 . 1 15 15 LEU N N 15 123.621 0.029 . 1 . . . . . 175 L N . 52079 1 147 . 1 . 1 16 16 ARG H H 1 8.226 0.001 . 1 . . . . . 176 R H . 52079 1 148 . 1 . 1 16 16 ARG HA H 1 4.242 0.000 . 1 . . . . . 176 R HA . 52079 1 149 . 1 . 1 16 16 ARG HB2 H 1 1.719 0.000 . 2 . . . . . 176 R HB* . 52079 1 150 . 1 . 1 16 16 ARG HB3 H 1 1.719 0.000 . 2 . . . . . 176 R HB* . 52079 1 151 . 1 . 1 16 16 ARG HG2 H 1 1.597 0.000 . 2 . . . . . 176 R HG* . 52079 1 152 . 1 . 1 16 16 ARG HG3 H 1 1.597 0.000 . 2 . . . . . 176 R HG* . 52079 1 153 . 1 . 1 16 16 ARG HD2 H 1 3.100 0.000 . 2 . . . . . 176 R HD* . 52079 1 154 . 1 . 1 16 16 ARG HD3 H 1 3.100 0.000 . 2 . . . . . 176 R HD* . 52079 1 155 . 1 . 1 16 16 ARG HE H 1 7.206 0.000 . 1 . . . . . 176 R HE . 52079 1 156 . 1 . 1 16 16 ARG C C 13 176.280 0.003 . 1 . . . . . 176 R C . 52079 1 157 . 1 . 1 16 16 ARG CA C 13 56.241 0.000 . 1 . . . . . 176 R CA . 52079 1 158 . 1 . 1 16 16 ARG CB C 13 30.761 0.000 . 1 . . . . . 176 R CB . 52079 1 159 . 1 . 1 16 16 ARG CG C 13 27.233 0.000 . 1 . . . . . 176 R CG . 52079 1 160 . 1 . 1 16 16 ARG CD C 13 43.305 0.000 . 1 . . . . . 176 R CD . 52079 1 161 . 1 . 1 16 16 ARG N N 15 121.561 0.024 . 1 . . . . . 176 R N . 52079 1 162 . 1 . 1 16 16 ARG NE N 15 84.731 0.000 . 1 . . . . . 176 R NE . 52079 1 163 . 1 . 1 17 17 GLU H H 1 8.453 0.001 . 1 . . . . . 177 E H . 52079 1 164 . 1 . 1 17 17 GLU HA H 1 4.268 0.000 . 1 . . . . . 177 E HA . 52079 1 165 . 1 . 1 17 17 GLU HB2 H 1 1.923 0.000 . 2 . . . . . 177 E HB* . 52079 1 166 . 1 . 1 17 17 GLU HB3 H 1 1.923 0.000 . 2 . . . . . 177 E HB* . 52079 1 167 . 1 . 1 17 17 GLU HG2 H 1 2.192 0.000 . 2 . . . . . 177 E HG* . 52079 1 168 . 1 . 1 17 17 GLU HG3 H 1 2.192 0.000 . 2 . . . . . 177 E HG* . 52079 1 169 . 1 . 1 17 17 GLU C C 13 176.744 0.004 . 1 . . . . . 177 E C . 52079 1 170 . 1 . 1 17 17 GLU CA C 13 56.721 0.000 . 1 . . . . . 177 E CA . 52079 1 171 . 1 . 1 17 17 GLU CB C 13 30.346 0.000 . 1 . . . . . 177 E CB . 52079 1 172 . 1 . 1 17 17 GLU CG C 13 36.255 0.000 . 1 . . . . . 177 E CG . 52079 1 173 . 1 . 1 17 17 GLU N N 15 122.050 0.013 . 1 . . . . . 177 E N . 52079 1 174 . 1 . 1 18 18 THR H H 1 8.262 0.000 . 1 . . . . . 178 T H . 52079 1 175 . 1 . 1 18 18 THR HA H 1 4.363 0.000 . 1 . . . . . 178 T HA . 52079 1 176 . 1 . 1 18 18 THR HB H 1 4.178 0.000 . 1 . . . . . 178 T HB . 52079 1 177 . 1 . 1 18 18 THR HG21 H 1 1.119 0.000 . 1 . . . . . 178 T HG2* . 52079 1 178 . 1 . 1 18 18 THR HG22 H 1 1.119 0.000 . 1 . . . . . 178 T HG2* . 52079 1 179 . 1 . 1 18 18 THR HG23 H 1 1.119 0.000 . 1 . . . . . 178 T HG2* . 52079 1 180 . 1 . 1 18 18 THR C C 13 174.877 0.005 . 1 . . . . . 178 T C . 52079 1 181 . 1 . 1 18 18 THR CA C 13 61.743 0.000 . 1 . . . . . 178 T CA . 52079 1 182 . 1 . 1 18 18 THR CB C 13 69.824 0.000 . 1 . . . . . 178 T CB . 52079 1 183 . 1 . 1 18 18 THR CG2 C 13 21.505 0.000 . 1 . . . . . 178 T CG2 . 52079 1 184 . 1 . 1 18 18 THR N N 15 114.922 0.010 . 1 . . . . . 178 T N . 52079 1 185 . 1 . 1 19 19 THR H H 1 8.309 0.005 . 1 . . . . . 179 T H . 52079 1 186 . 1 . 1 19 19 THR HA H 1 4.313 0.000 . 1 . . . . . 179 T HA . 52079 1 187 . 1 . 1 19 19 THR HG21 H 1 1.134 0.000 . 1 . . . . . 179 T HG2* . 52079 1 188 . 1 . 1 19 19 THR HG22 H 1 1.134 0.000 . 1 . . . . . 179 T HG2* . 52079 1 189 . 1 . 1 19 19 THR HG23 H 1 1.134 0.000 . 1 . . . . . 179 T HG2* . 52079 1 190 . 1 . 1 19 19 THR C C 13 175.254 0.005 . 1 . . . . . 179 T C . 52079 1 191 . 1 . 1 19 19 THR N N 15 115.990 0.010 . 1 . . . . . 179 T N . 52079 1 192 . 1 . 1 20 20 GLY H H 1 8.527 0.000 . 1 . . . . . 180 G H . 52079 1 193 . 1 . 1 20 20 GLY HA2 H 1 3.957 0.000 . 2 . . . . . 180 G HA* . 52079 1 194 . 1 . 1 20 20 GLY HA3 H 1 3.957 0.000 . 2 . . . . . 180 G HA* . 52079 1 195 . 1 . 1 20 20 GLY C C 13 174.300 0.004 . 1 . . . . . 180 G C . 52079 1 196 . 1 . 1 20 20 GLY CA C 13 45.396 0.000 . 1 . . . . . 180 G CA . 52079 1 197 . 1 . 1 20 20 GLY N N 15 111.613 0.010 . 1 . . . . . 180 G N . 52079 1 198 . 1 . 1 21 21 SER H H 1 8.287 0.000 . 1 . . . . . 181 S H . 52079 1 199 . 1 . 1 21 21 SER HA H 1 4.415 0.000 . 1 . . . . . 181 S HA . 52079 1 200 . 1 . 1 21 21 SER HB2 H 1 3.790 0.000 . 2 . . . . . 181 S HB* . 52079 1 201 . 1 . 1 21 21 SER HB3 H 1 3.790 0.000 . 2 . . . . . 181 S HB* . 52079 1 202 . 1 . 1 21 21 SER C C 13 174.856 0.005 . 1 . . . . . 181 S C . 52079 1 203 . 1 . 1 21 21 SER CA C 13 58.397 0.000 . 1 . . . . . 181 S CA . 52079 1 204 . 1 . 1 21 21 SER CB C 13 64.557 0.000 . 1 . . . . . 181 S CB . 52079 1 205 . 1 . 1 21 21 SER N N 15 115.773 0.013 . 1 . . . . . 181 S N . 52079 1 206 . 1 . 1 22 22 GLU H H 1 8.671 0.002 . 1 . . . . . 182 E H . 52079 1 207 . 1 . 1 22 22 GLU HA H 1 4.236 0.000 . 1 . . . . . 182 E HA . 52079 1 208 . 1 . 1 22 22 GLU HB2 H 1 1.896 0.000 . 2 . . . . . 182 E HB2 . 52079 1 209 . 1 . 1 22 22 GLU HB3 H 1 1.953 0.000 . 2 . . . . . 182 E HB3 . 52079 1 210 . 1 . 1 22 22 GLU HG2 H 1 2.028 0.000 . 2 . . . . . 182 E HG2 . 52079 1 211 . 1 . 1 22 22 GLU HG3 H 1 2.215 0.000 . 2 . . . . . 182 E HG3 . 52079 1 212 . 1 . 1 22 22 GLU C C 13 176.804 0.004 . 1 . . . . . 182 E C . 52079 1 213 . 1 . 1 22 22 GLU CA C 13 57.096 0.000 . 1 . . . . . 182 E CA . 52079 1 214 . 1 . 1 22 22 GLU CB C 13 29.879 0.000 . 1 . . . . . 182 E CB . 52079 1 215 . 1 . 1 22 22 GLU CG C 13 36.174 0.000 . 1 . . . . . 182 E CG . 52079 1 216 . 1 . 1 22 22 GLU N N 15 122.813 0.011 . 1 . . . . . 182 E N . 52079 1 217 . 1 . 1 23 23 SER H H 1 8.323 0.000 . 1 . . . . . 183 S H . 52079 1 218 . 1 . 1 23 23 SER HA H 1 4.380 0.000 . 1 . . . . . 183 S HA . 52079 1 219 . 1 . 1 23 23 SER HB2 H 1 3.778 0.000 . 2 . . . . . 183 S HB* . 52079 1 220 . 1 . 1 23 23 SER HB3 H 1 3.778 0.000 . 2 . . . . . 183 S HB* . 52079 1 221 . 1 . 1 23 23 SER C C 13 174.472 0.003 . 1 . . . . . 183 S C . 52079 1 222 . 1 . 1 23 23 SER CA C 13 58.422 0.000 . 1 . . . . . 183 S CA . 52079 1 223 . 1 . 1 23 23 SER CB C 13 64.372 0.000 . 1 . . . . . 183 S CB . 52079 1 224 . 1 . 1 23 23 SER N N 15 116.117 0.012 . 1 . . . . . 183 S N . 52079 1 225 . 1 . 1 24 24 ASP H H 1 8.324 0.001 . 1 . . . . . 184 D H . 52079 1 226 . 1 . 1 24 24 ASP HA H 1 4.551 0.000 . 1 . . . . . 184 D HA . 52079 1 227 . 1 . 1 24 24 ASP HB2 H 1 2.635 0.000 . 2 . . . . . 184 D HB* . 52079 1 228 . 1 . 1 24 24 ASP HB3 H 1 2.635 0.000 . 2 . . . . . 184 D HB* . 52079 1 229 . 1 . 1 24 24 ASP C C 13 176.855 0.004 . 1 . . . . . 184 D C . 52079 1 230 . 1 . 1 24 24 ASP CA C 13 54.504 0.000 . 1 . . . . . 184 D CA . 52079 1 231 . 1 . 1 24 24 ASP CB C 13 41.195 0.000 . 1 . . . . . 184 D CB . 52079 1 232 . 1 . 1 24 24 ASP N N 15 122.538 0.019 . 1 . . . . . 184 D N . 52079 1 233 . 1 . 1 25 25 GLY H H 1 8.379 0.000 . 1 . . . . . 185 G H . 52079 1 234 . 1 . 1 25 25 GLY HA2 H 1 3.888 0.000 . 2 . . . . . 185 G HA* . 52079 1 235 . 1 . 1 25 25 GLY HA3 H 1 3.888 0.000 . 2 . . . . . 185 G HA* . 52079 1 236 . 1 . 1 25 25 GLY C C 13 175.030 0.005 . 1 . . . . . 185 G C . 52079 1 237 . 1 . 1 25 25 GLY CA C 13 45.580 0.000 . 1 . . . . . 185 G CA . 52079 1 238 . 1 . 1 25 25 GLY N N 15 109.373 0.016 . 1 . . . . . 185 G N . 52079 1 239 . 1 . 1 26 26 GLY H H 1 8.324 0.000 . 1 . . . . . 186 G H . 52079 1 240 . 1 . 1 26 26 GLY HA2 H 1 3.883 0.000 . 2 . . . . . 186 G HA* . 52079 1 241 . 1 . 1 26 26 GLY HA3 H 1 3.883 0.000 . 2 . . . . . 186 G HA* . 52079 1 242 . 1 . 1 26 26 GLY C C 13 174.072 0.004 . 1 . . . . . 186 G C . 52079 1 243 . 1 . 1 26 26 GLY CA C 13 45.335 0.000 . 1 . . . . . 186 G CA . 52079 1 244 . 1 . 1 26 26 GLY N N 15 108.921 0.036 . 1 . . . . . 186 G N . 52079 1 245 . 1 . 1 27 27 ASP H H 1 8.331 0.000 . 1 . . . . . 187 D H . 52079 1 246 . 1 . 1 27 27 ASP HA H 1 4.581 0.000 . 1 . . . . . 187 D HA . 52079 1 247 . 1 . 1 27 27 ASP HB2 H 1 2.625 0.000 . 2 . . . . . 187 D HB* . 52079 1 248 . 1 . 1 27 27 ASP HB3 H 1 2.625 0.000 . 2 . . . . . 187 D HB* . 52079 1 249 . 1 . 1 27 27 ASP C C 13 176.799 0.003 . 1 . . . . . 187 D C . 52079 1 250 . 1 . 1 27 27 ASP CA C 13 54.323 0.000 . 1 . . . . . 187 D CA . 52079 1 251 . 1 . 1 27 27 ASP CB C 13 41.278 0.000 . 1 . . . . . 187 D CB . 52079 1 252 . 1 . 1 27 27 ASP N N 15 120.517 0.010 . 1 . . . . . 187 D N . 52079 1 253 . 1 . 1 28 28 SER H H 1 8.439 0.001 . 1 . . . . . 188 S H . 52079 1 254 . 1 . 1 28 28 SER HA H 1 4.368 0.000 . 1 . . . . . 188 S HA . 52079 1 255 . 1 . 1 28 28 SER C C 13 175.102 0.004 . 1 . . . . . 188 S C . 52079 1 256 . 1 . 1 28 28 SER CA C 13 58.782 0.000 . 1 . . . . . 188 S CA . 52079 1 257 . 1 . 1 28 28 SER CB C 13 63.987 0.000 . 1 . . . . . 188 S CB . 52079 1 258 . 1 . 1 28 28 SER N N 15 116.955 0.018 . 1 . . . . . 188 S N . 52079 1 259 . 1 . 1 29 29 SER H H 1 8.420 0.000 . 1 . . . . . 189 S H . 52079 1 260 . 1 . 1 29 29 SER HA H 1 4.367 0.000 . 1 . . . . . 189 S HA . 52079 1 261 . 1 . 1 29 29 SER C C 13 175.007 0.004 . 1 . . . . . 189 S C . 52079 1 262 . 1 . 1 29 29 SER CA C 13 59.034 0.000 . 1 . . . . . 189 S CA . 52079 1 263 . 1 . 1 29 29 SER CB C 13 64.049 0.000 . 1 . . . . . 189 S CB . 52079 1 264 . 1 . 1 29 29 SER N N 15 117.762 0.020 . 1 . . . . . 189 S N . 52079 1 265 . 1 . 1 30 30 SER H H 1 8.288 0.001 . 1 . . . . . 190 S H . 52079 1 266 . 1 . 1 30 30 SER HA H 1 4.431 0.000 . 1 . . . . . 190 S HA . 52079 1 267 . 1 . 1 30 30 SER HB2 H 1 3.862 0.000 . 2 . . . . . 190 S HB* . 52079 1 268 . 1 . 1 30 30 SER HB3 H 1 3.862 0.000 . 2 . . . . . 190 S HB* . 52079 1 269 . 1 . 1 30 30 SER C C 13 174.964 0.004 . 1 . . . . . 190 S C . 52079 1 270 . 1 . 1 30 30 SER CA C 13 58.764 0.000 . 1 . . . . . 190 S CA . 52079 1 271 . 1 . 1 30 30 SER CB C 13 64.157 0.000 . 1 . . . . . 190 S CB . 52079 1 272 . 1 . 1 30 30 SER N N 15 117.555 0.018 . 1 . . . . . 190 S N . 52079 1 273 . 1 . 1 31 31 THR H H 1 8.125 0.001 . 1 . . . . . 191 T H . 52079 1 274 . 1 . 1 31 31 THR HA H 1 4.249 0.000 . 1 . . . . . 191 T HA . 52079 1 275 . 1 . 1 31 31 THR HG21 H 1 1.118 0.000 . 1 . . . . . 191 T HG2* . 52079 1 276 . 1 . 1 31 31 THR HG22 H 1 1.118 0.000 . 1 . . . . . 191 T HG2* . 52079 1 277 . 1 . 1 31 31 THR HG23 H 1 1.118 0.000 . 1 . . . . . 191 T HG2* . 52079 1 278 . 1 . 1 31 31 THR C C 13 174.660 0.004 . 1 . . . . . 191 T C . 52079 1 279 . 1 . 1 31 31 THR CA C 13 62.174 0.000 . 1 . . . . . 191 T CA . 52079 1 280 . 1 . 1 31 31 THR CB C 13 69.708 0.000 . 1 . . . . . 191 T CB . 52079 1 281 . 1 . 1 31 31 THR CG2 C 13 21.559 0.000 . 1 . . . . . 191 T CG2 . 52079 1 282 . 1 . 1 31 31 THR N N 15 115.847 0.016 . 1 . . . . . 191 T N . 52079 1 283 . 1 . 1 32 32 LYS H H 1 8.273 0.000 . 1 . . . . . 192 K H . 52079 1 284 . 1 . 1 32 32 LYS HA H 1 4.297 0.000 . 1 . . . . . 192 K HA . 52079 1 285 . 1 . 1 32 32 LYS HB2 H 1 1.781 0.000 . 2 . . . . . 192 K HB* . 52079 1 286 . 1 . 1 32 32 LYS HB3 H 1 1.781 0.000 . 2 . . . . . 192 K HB* . 52079 1 287 . 1 . 1 32 32 LYS HG2 H 1 1.348 0.000 . 4 . . . . . 192 K HG* . 52079 1 288 . 1 . 1 32 32 LYS HG3 H 1 1.348 0.000 . 2 . . . . . 192 K HG* . 52079 1 289 . 1 . 1 32 32 LYS HD2 H 1 1.624 0.000 . 4 . . . . . 192 K HD* . 52079 1 290 . 1 . 1 32 32 LYS HD3 H 1 1.624 0.000 . 2 . . . . . 192 K HD* . 52079 1 291 . 1 . 1 32 32 LYS HE2 H 1 2.897 0.000 . 2 . . . . . 192 K HE* . 52079 1 292 . 1 . 1 32 32 LYS HE3 H 1 2.897 0.000 . 2 . . . . . 192 K HE* . 52079 1 293 . 1 . 1 32 32 LYS C C 13 176.585 0.004 . 1 . . . . . 192 K C . 52079 1 294 . 1 . 1 32 32 LYS CA C 13 56.400 0.000 . 1 . . . . . 192 K CA . 52079 1 295 . 1 . 1 32 32 LYS CB C 13 32.984 0.000 . 1 . . . . . 192 K CB . 52079 1 296 . 1 . 1 32 32 LYS CG C 13 24.584 0.000 . 1 . . . . . 192 K CG . 52079 1 297 . 1 . 1 32 32 LYS CD C 13 28.960 0.000 . 1 . . . . . 192 K CD . 52079 1 298 . 1 . 1 32 32 LYS CE C 13 42.154 0.000 . 1 . . . . . 192 K CE . 52079 1 299 . 1 . 1 32 32 LYS N N 15 123.826 0.023 . 1 . . . . . 192 K N . 52079 1 300 . 1 . 1 33 33 SER H H 1 8.351 0.000 . 1 . . . . . 193 S H . 52079 1 301 . 1 . 1 33 33 SER HA H 1 4.370 0.000 . 1 . . . . . 193 S HA . 52079 1 302 . 1 . 1 33 33 SER HB2 H 1 3.770 0.000 . 2 . . . . . 193 S HB* . 52079 1 303 . 1 . 1 33 33 SER HB3 H 1 3.770 0.000 . 2 . . . . . 193 S HB* . 52079 1 304 . 1 . 1 33 33 SER C C 13 174.668 0.004 . 1 . . . . . 193 S C . 52079 1 305 . 1 . 1 33 33 SER CA C 13 58.401 0.000 . 1 . . . . . 193 S CA . 52079 1 306 . 1 . 1 33 33 SER CB C 13 64.312 0.000 . 1 . . . . . 193 S CB . 52079 1 307 . 1 . 1 33 33 SER N N 15 117.346 0.026 . 1 . . . . . 193 S N . 52079 1 308 . 1 . 1 34 34 GLU H H 1 8.512 0.002 . 1 . . . . . 194 E H . 52079 1 309 . 1 . 1 34 34 GLU HA H 1 4.235 0.000 . 1 . . . . . 194 E HA . 52079 1 310 . 1 . 1 34 34 GLU HB2 H 1 1.990 0.000 . 2 . . . . . 194 E HB2 . 52079 1 311 . 1 . 1 34 34 GLU HB3 H 1 1.930 0.000 . 2 . . . . . 194 E HB3 . 52079 1 312 . 1 . 1 34 34 GLU HG2 H 1 2.186 0.000 . 2 . . . . . 194 E HG* . 52079 1 313 . 1 . 1 34 34 GLU HG3 H 1 2.186 0.000 . 2 . . . . . 194 E HG* . 52079 1 314 . 1 . 1 34 34 GLU C C 13 177.034 0.004 . 1 . . . . . 194 E C . 52079 1 315 . 1 . 1 34 34 GLU CA C 13 56.851 0.000 . 1 . . . . . 194 E CA . 52079 1 316 . 1 . 1 34 34 GLU CB C 13 30.284 0.000 . 1 . . . . . 194 E CB . 52079 1 317 . 1 . 1 34 34 GLU CG C 13 36.119 0.000 . 1 . . . . . 194 E CG . 52079 1 318 . 1 . 1 34 34 GLU N N 15 123.131 0.011 . 1 . . . . . 194 E N . 52079 1 319 . 1 . 1 35 35 GLY H H 1 8.410 0.000 . 1 . . . . . 195 G H . 52079 1 320 . 1 . 1 35 35 GLY HA2 H 1 3.865 0.000 . 2 . . . . . 195 G HA* . 52079 1 321 . 1 . 1 35 35 GLY HA3 H 1 3.865 0.000 . 2 . . . . . 195 G HA* . 52079 1 322 . 1 . 1 35 35 GLY C C 13 174.143 0.005 . 1 . . . . . 195 G C . 52079 1 323 . 1 . 1 35 35 GLY CA C 13 45.325 0.000 . 1 . . . . . 195 G CA . 52079 1 324 . 1 . 1 35 35 GLY N N 15 109.856 0.012 . 1 . . . . . 195 G N . 52079 1 325 . 1 . 1 36 36 ALA H H 1 8.210 0.000 . 1 . . . . . 196 A H . 52079 1 326 . 1 . 1 36 36 ALA HA H 1 4.241 0.000 . 1 . . . . . 196 A HA . 52079 1 327 . 1 . 1 36 36 ALA HB1 H 1 1.299 0.000 . 1 . . . . . 196 A HB* . 52079 1 328 . 1 . 1 36 36 ALA HB2 H 1 1.299 0.000 . 1 . . . . . 196 A HB* . 52079 1 329 . 1 . 1 36 36 ALA HB3 H 1 1.299 0.000 . 1 . . . . . 196 A HB* . 52079 1 330 . 1 . 1 36 36 ALA C C 13 177.811 0.005 . 1 . . . . . 196 A C . 52079 1 331 . 1 . 1 36 36 ALA CA C 13 52.835 0.000 . 1 . . . . . 196 A CA . 52079 1 332 . 1 . 1 36 36 ALA CB C 13 19.133 0.000 . 1 . . . . . 196 A CB . 52079 1 333 . 1 . 1 36 36 ALA N N 15 123.812 0.019 . 1 . . . . . 196 A N . 52079 1 334 . 1 . 1 37 37 ASN H H 1 8.465 0.000 . 1 . . . . . 197 N H . 52079 1 335 . 1 . 1 37 37 ASN HA H 1 4.624 0.000 . 1 . . . . . 197 N HA . 52079 1 336 . 1 . 1 37 37 ASN HB2 H 1 2.739 0.000 . 2 . . . . . 197 N HB* . 52079 1 337 . 1 . 1 37 37 ASN HB3 H 1 2.739 0.000 . 2 . . . . . 197 N HB* . 52079 1 338 . 1 . 1 37 37 ASN C C 13 175.789 0.003 . 1 . . . . . 197 N C . 52079 1 339 . 1 . 1 37 37 ASN CA C 13 53.446 0.000 . 1 . . . . . 197 N CA . 52079 1 340 . 1 . 1 37 37 ASN CB C 13 39.081 0.000 . 1 . . . . . 197 N CB . 52079 1 341 . 1 . 1 37 37 ASN N N 15 117.662 0.012 . 1 . . . . . 197 N N . 52079 1 342 . 1 . 1 38 38 GLY H H 1 8.318 0.000 . 1 . . . . . 198 G H . 52079 1 343 . 1 . 1 38 38 GLY HA2 H 1 3.907 0.000 . 2 . . . . . 198 G HA* . 52079 1 344 . 1 . 1 38 38 GLY HA3 H 1 3.907 0.000 . 2 . . . . . 198 G HA* . 52079 1 345 . 1 . 1 38 38 GLY C C 13 174.348 0.004 . 1 . . . . . 198 G C . 52079 1 346 . 1 . 1 38 38 GLY CA C 13 45.531 0.000 . 1 . . . . . 198 G CA . 52079 1 347 . 1 . 1 38 38 GLY N N 15 109.035 0.009 . 1 . . . . . 198 G N . 52079 1 348 . 1 . 1 39 39 THR H H 1 8.066 0.002 . 1 . . . . . 199 T H . 52079 1 349 . 1 . 1 39 39 THR HA H 1 4.275 0.000 . 1 . . . . . 199 T HA . 52079 1 350 . 1 . 1 39 39 THR HG21 H 1 1.099 0.000 . 1 . . . . . 199 T HG2* . 52079 1 351 . 1 . 1 39 39 THR HG22 H 1 1.099 0.000 . 1 . . . . . 199 T HG2* . 52079 1 352 . 1 . 1 39 39 THR HG23 H 1 1.099 0.000 . 1 . . . . . 199 T HG2* . 52079 1 353 . 1 . 1 39 39 THR C C 13 174.644 0.004 . 1 . . . . . 199 T C . 52079 1 354 . 1 . 1 39 39 THR CA C 13 62.059 0.000 . 1 . . . . . 199 T CA . 52079 1 355 . 1 . 1 39 39 THR CB C 13 70.073 0.000 . 1 . . . . . 199 T CB . 52079 1 356 . 1 . 1 39 39 THR CG2 C 13 21.569 0.000 . 1 . . . . . 199 T CG2 . 52079 1 357 . 1 . 1 39 39 THR N N 15 114.205 0.011 . 1 . . . . . 199 T N . 52079 1 358 . 1 . 1 40 40 VAL H H 1 8.178 0.000 . 1 . . . . . 200 V H . 52079 1 359 . 1 . 1 40 40 VAL HA H 1 4.040 0.000 . 1 . . . . . 200 V HA . 52079 1 360 . 1 . 1 40 40 VAL HB H 1 1.985 0.000 . 1 . . . . . 200 V HB . 52079 1 361 . 1 . 1 40 40 VAL HG11 H 1 0.852 0.000 . 2 . . . . . 200 V HG1* . 52079 1 362 . 1 . 1 40 40 VAL HG12 H 1 0.852 0.000 . 2 . . . . . 200 V HG1* . 52079 1 363 . 1 . 1 40 40 VAL HG13 H 1 0.852 0.000 . 2 . . . . . 200 V HG1* . 52079 1 364 . 1 . 1 40 40 VAL C C 13 175.944 0.004 . 1 . . . . . 200 V C . 52079 1 365 . 1 . 1 40 40 VAL CA C 13 62.327 0.000 . 1 . . . . . 200 V CA . 52079 1 366 . 1 . 1 40 40 VAL CB C 13 32.722 0.000 . 1 . . . . . 200 V CB . 52079 1 367 . 1 . 1 40 40 VAL CG1 C 13 20.848 0.000 . 1 . . . . . 200 V CG1 . 52079 1 368 . 1 . 1 40 40 VAL CG2 C 13 20.848 0.000 . 1 . . . . . 200 V CG2 . 52079 1 369 . 1 . 1 40 40 VAL N N 15 122.821 0.033 . 1 . . . . . 200 V N . 52079 1 370 . 1 . 1 41 41 ALA H H 1 8.438 0.000 . 1 . . . . . 201 A H . 52079 1 371 . 1 . 1 41 41 ALA HA H 1 4.286 0.000 . 1 . . . . . 201 A HA . 52079 1 372 . 1 . 1 41 41 ALA HB1 H 1 1.309 0.000 . 1 . . . . . 201 A HB* . 52079 1 373 . 1 . 1 41 41 ALA HB2 H 1 1.309 0.000 . 1 . . . . . 201 A HB* . 52079 1 374 . 1 . 1 41 41 ALA HB3 H 1 1.309 0.000 . 1 . . . . . 201 A HB* . 52079 1 375 . 1 . 1 41 41 ALA C C 13 177.924 0.004 . 1 . . . . . 201 A C . 52079 1 376 . 1 . 1 41 41 ALA CA C 13 52.824 0.000 . 1 . . . . . 201 A CA . 52079 1 377 . 1 . 1 41 41 ALA CB C 13 19.191 0.000 . 1 . . . . . 201 A CB . 52079 1 378 . 1 . 1 41 41 ALA N N 15 128.073 0.012 . 1 . . . . . 201 A N . 52079 1 379 . 1 . 1 42 42 THR H H 1 8.056 0.001 . 1 . . . . . 202 T H . 52079 1 380 . 1 . 1 42 42 THR HA H 1 4.165 0.000 . 1 . . . . . 202 T HA . 52079 1 381 . 1 . 1 42 42 THR HG21 H 1 1.123 0.000 . 1 . . . . . 202 T HG2* . 52079 1 382 . 1 . 1 42 42 THR HG22 H 1 1.123 0.000 . 1 . . . . . 202 T HG2* . 52079 1 383 . 1 . 1 42 42 THR HG23 H 1 1.123 0.000 . 1 . . . . . 202 T HG2* . 52079 1 384 . 1 . 1 42 42 THR C C 13 174.342 0.003 . 1 . . . . . 202 T C . 52079 1 385 . 1 . 1 42 42 THR CA C 13 61.924 0.000 . 1 . . . . . 202 T CA . 52079 1 386 . 1 . 1 42 42 THR CB C 13 69.785 0.000 . 1 . . . . . 202 T CB . 52079 1 387 . 1 . 1 42 42 THR CG2 C 13 21.549 0.000 . 1 . . . . . 202 T CG2 . 52079 1 388 . 1 . 1 42 42 THR N N 15 113.639 0.009 . 1 . . . . . 202 T N . 52079 1 389 . 1 . 1 43 43 ALA H H 1 8.210 0.000 . 1 . . . . . 203 A H . 52079 1 390 . 1 . 1 43 43 ALA HA H 1 4.213 0.000 . 1 . . . . . 203 A HA . 52079 1 391 . 1 . 1 43 43 ALA HB1 H 1 1.284 0.000 . 1 . . . . . 203 A HB* . 52079 1 392 . 1 . 1 43 43 ALA HB2 H 1 1.284 0.000 . 1 . . . . . 203 A HB* . 52079 1 393 . 1 . 1 43 43 ALA HB3 H 1 1.284 0.000 . 1 . . . . . 203 A HB* . 52079 1 394 . 1 . 1 43 43 ALA C C 13 177.294 0.004 . 1 . . . . . 203 A C . 52079 1 395 . 1 . 1 43 43 ALA CA C 13 52.662 0.000 . 1 . . . . . 203 A CA . 52079 1 396 . 1 . 1 43 43 ALA CB C 13 19.230 0.000 . 1 . . . . . 203 A CB . 52079 1 397 . 1 . 1 43 43 ALA N N 15 126.271 0.013 . 1 . . . . . 203 A N . 52079 1 398 . 1 . 1 44 44 ALA H H 1 8.191 0.000 . 1 . . . . . 204 A H . 52079 1 399 . 1 . 1 44 44 ALA HA H 1 4.209 0.000 . 1 . . . . . 204 A HA . 52079 1 400 . 1 . 1 44 44 ALA HB1 H 1 1.269 0.000 . 1 . . . . . 204 A HB* . 52079 1 401 . 1 . 1 44 44 ALA HB2 H 1 1.269 0.000 . 1 . . . . . 204 A HB* . 52079 1 402 . 1 . 1 44 44 ALA HB3 H 1 1.269 0.000 . 1 . . . . . 204 A HB* . 52079 1 403 . 1 . 1 44 44 ALA C C 13 177.600 0.003 . 1 . . . . . 204 A C . 52079 1 404 . 1 . 1 44 44 ALA CA C 13 52.486 0.000 . 1 . . . . . 204 A CA . 52079 1 405 . 1 . 1 44 44 ALA CB C 13 19.112 0.000 . 1 . . . . . 204 A CB . 52079 1 406 . 1 . 1 44 44 ALA N N 15 123.254 0.010 . 1 . . . . . 204 A N . 52079 1 407 . 1 . 1 45 45 ILE H H 1 8.032 0.003 . 1 . . . . . 205 I H . 52079 1 408 . 1 . 1 45 45 ILE HA H 1 4.035 0.000 . 1 . . . . . 205 I HA . 52079 1 409 . 1 . 1 45 45 ILE HB H 1 1.730 0.000 . 1 . . . . . 205 I HB . 52079 1 410 . 1 . 1 45 45 ILE HG12 H 1 1.073 0.000 . 2 . . . . . 205 I HG1* . 52079 1 411 . 1 . 1 45 45 ILE HG13 H 1 1.073 0.000 . 2 . . . . . 205 I HG1* . 52079 1 412 . 1 . 1 45 45 ILE HG21 H 1 1.379 0.000 . 1 . . . . . 205 I HG2* . 52079 1 413 . 1 . 1 45 45 ILE HG22 H 1 1.379 0.000 . 1 . . . . . 205 I HG2* . 52079 1 414 . 1 . 1 45 45 ILE HG23 H 1 1.379 0.000 . 1 . . . . . 205 I HG2* . 52079 1 415 . 1 . 1 45 45 ILE HD11 H 1 0.775 0.000 . 1 . . . . . 205 I HD1* . 52079 1 416 . 1 . 1 45 45 ILE HD12 H 1 0.775 0.000 . 1 . . . . . 205 I HD1* . 52079 1 417 . 1 . 1 45 45 ILE HD13 H 1 0.775 0.000 . 1 . . . . . 205 I HD1* . 52079 1 418 . 1 . 1 45 45 ILE C C 13 176.130 0.004 . 1 . . . . . 205 I C . 52079 1 419 . 1 . 1 45 45 ILE CA C 13 60.917 0.000 . 1 . . . . . 205 I CA . 52079 1 420 . 1 . 1 45 45 ILE CB C 13 38.611 0.000 . 1 . . . . . 205 I CB . 52079 1 421 . 1 . 1 45 45 ILE CG1 C 13 27.243 0.000 . 1 . . . . . 205 I CG1 . 52079 1 422 . 1 . 1 45 45 ILE CG2 C 13 17.515 0.000 . 1 . . . . . 205 I CG2 . 52079 1 423 . 1 . 1 45 45 ILE CD1 C 13 12.884 0.000 . 1 . . . . . 205 I CD1 . 52079 1 424 . 1 . 1 45 45 ILE N N 15 120.146 0.009 . 1 . . . . . 205 I N . 52079 1 425 . 1 . 1 46 46 GLN H H 1 8.425 0.001 . 1 . . . . . 206 Q H . 52079 1 426 . 1 . 1 46 46 GLN HA H 1 4.529 0.000 . 1 . . . . . 206 Q HA . 52079 1 427 . 1 . 1 46 46 GLN HB2 H 1 2.004 0.000 . 2 . . . . . 206 Q HB2 . 52079 1 428 . 1 . 1 46 46 GLN HB3 H 1 1.836 0.000 . 2 . . . . . 206 Q HB3 . 52079 1 429 . 1 . 1 46 46 GLN HG2 H 1 2.300 0.000 . 2 . . . . . 206 Q HG* . 52079 1 430 . 1 . 1 46 46 GLN HG3 H 1 2.300 0.000 . 2 . . . . . 206 Q HG* . 52079 1 431 . 1 . 1 46 46 GLN C C 13 173.858 0.003 . 1 . . . . . 206 Q C . 52079 1 432 . 1 . 1 46 46 GLN CA C 13 53.518 0.000 . 1 . . . . . 206 Q CA . 52079 1 433 . 1 . 1 46 46 GLN CB C 13 28.965 0.000 . 1 . . . . . 206 Q CB . 52079 1 434 . 1 . 1 46 46 GLN CG C 13 33.467 0.000 . 1 . . . . . 206 Q CG . 52079 1 435 . 1 . 1 46 46 GLN N N 15 125.895 0.015 . 1 . . . . . 206 Q N . 52079 1 436 . 1 . 1 47 47 PRO HA H 1 4.321 0.000 . 1 . . . . . 207 P HA . 52079 1 437 . 1 . 1 47 47 PRO HB2 H 1 2.197 0.000 . 2 . . . . . 207 P HB* . 52079 1 438 . 1 . 1 47 47 PRO HB3 H 1 2.197 0.000 . 2 . . . . . 207 P HB* . 52079 1 439 . 1 . 1 47 47 PRO HG2 H 1 1.920 0.000 . 2 . . . . . 207 P HG2 . 52079 1 440 . 1 . 1 47 47 PRO HG3 H 1 1.798 0.000 . 2 . . . . . 207 P HG3 . 52079 1 441 . 1 . 1 47 47 PRO HD2 H 1 3.739 0.000 . 2 . . . . . 207 P HD2 . 52079 1 442 . 1 . 1 47 47 PRO HD3 H 1 3.577 0.000 . 2 . . . . . 207 P HD3 . 52079 1 443 . 1 . 1 47 47 PRO C C 13 176.754 0.005 . 1 . . . . . 207 P C . 52079 1 444 . 1 . 1 47 47 PRO CA C 13 63.073 0.000 . 1 . . . . . 207 P CA . 52079 1 445 . 1 . 1 47 47 PRO CB C 13 32.162 0.000 . 1 . . . . . 207 P CB . 52079 1 446 . 1 . 1 47 47 PRO CG C 13 27.493 0.000 . 1 . . . . . 207 P CG . 52079 1 447 . 1 . 1 47 47 PRO CD C 13 50.762 0.000 . 1 . . . . . 207 P CD . 52079 1 448 . 1 . 1 47 47 PRO N N 15 136.975 0.013 . 1 . . . . . 207 P N . 52079 1 449 . 1 . 1 48 48 LYS H H 1 8.380 0.002 . 1 . . . . . 208 K H . 52079 1 450 . 1 . 1 48 48 LYS HA H 1 4.179 0.000 . 1 . . . . . 208 K HA . 52079 1 451 . 1 . 1 48 48 LYS HB2 H 1 1.625 0.000 . 2 . . . . . 208 K HB* . 52079 1 452 . 1 . 1 48 48 LYS HB3 H 1 1.625 0.000 . 2 . . . . . 208 K HB* . 52079 1 453 . 1 . 1 48 48 LYS HG2 H 1 1.320 0.000 . 4 . . . . . 208 K HG* . 52079 1 454 . 1 . 1 48 48 LYS HG3 H 1 1.320 0.000 . 2 . . . . . 208 K HG* . 52079 1 455 . 1 . 1 48 48 LYS HD2 H 1 1.544 0.000 . 4 . . . . . 208 K HD* . 52079 1 456 . 1 . 1 48 48 LYS HD3 H 1 1.544 0.000 . 2 . . . . . 208 K HD* . 52079 1 457 . 1 . 1 48 48 LYS HE2 H 1 2.864 0.000 . 2 . . . . . 208 K HE* . 52079 1 458 . 1 . 1 48 48 LYS HE3 H 1 2.864 0.000 . 2 . . . . . 208 K HE* . 52079 1 459 . 1 . 1 48 48 LYS C C 13 176.564 0.003 . 1 . . . . . 208 K C . 52079 1 460 . 1 . 1 48 48 LYS CA C 13 56.259 0.000 . 1 . . . . . 208 K CA . 52079 1 461 . 1 . 1 48 48 LYS CB C 13 33.069 0.000 . 1 . . . . . 208 K CB . 52079 1 462 . 1 . 1 48 48 LYS CG C 13 24.770 0.000 . 1 . . . . . 208 K CG . 52079 1 463 . 1 . 1 48 48 LYS CD C 13 28.942 0.000 . 1 . . . . . 208 K CD . 52079 1 464 . 1 . 1 48 48 LYS CE C 13 42.121 0.000 . 1 . . . . . 208 K CE . 52079 1 465 . 1 . 1 48 48 LYS N N 15 121.661 0.022 . 1 . . . . . 208 K N . 52079 1 466 . 1 . 1 49 49 LYS H H 1 8.349 0.000 . 1 . . . . . 209 K H . 52079 1 467 . 1 . 1 49 49 LYS HA H 1 4.220 0.000 . 1 . . . . . 209 K HA . 52079 1 468 . 1 . 1 49 49 LYS HB2 H 1 1.633 0.000 . 2 . . . . . 209 K HB* . 52079 1 469 . 1 . 1 49 49 LYS HB3 H 1 1.633 0.000 . 2 . . . . . 209 K HB* . 52079 1 470 . 1 . 1 49 49 LYS HG2 H 1 1.292 0.000 . 4 . . . . . 209 K HG* . 52079 1 471 . 1 . 1 49 49 LYS HG3 H 1 1.292 0.000 . 2 . . . . . 209 K HG* . 52079 1 472 . 1 . 1 49 49 LYS HD2 H 1 1.560 0.000 . 4 . . . . . 209 K HD* . 52079 1 473 . 1 . 1 49 49 LYS HD3 H 1 1.560 0.000 . 2 . . . . . 209 K HD* . 52079 1 474 . 1 . 1 49 49 LYS HE2 H 1 2.864 0.000 . 2 . . . . . 209 K HE* . 52079 1 475 . 1 . 1 49 49 LYS HE3 H 1 2.864 0.000 . 2 . . . . . 209 K HE* . 52079 1 476 . 1 . 1 49 49 LYS C C 13 176.352 0.004 . 1 . . . . . 209 K C . 52079 1 477 . 1 . 1 49 49 LYS CA C 13 56.178 0.000 . 1 . . . . . 209 K CA . 52079 1 478 . 1 . 1 49 49 LYS CB C 13 33.090 0.000 . 1 . . . . . 209 K CB . 52079 1 479 . 1 . 1 49 49 LYS CG C 13 24.710 0.000 . 1 . . . . . 209 K CG . 52079 1 480 . 1 . 1 49 49 LYS CD C 13 29.023 0.000 . 1 . . . . . 209 K CD . 52079 1 481 . 1 . 1 49 49 LYS CE C 13 42.112 0.000 . 1 . . . . . 209 K CE . 52079 1 482 . 1 . 1 49 49 LYS N N 15 123.187 0.018 . 1 . . . . . 209 K N . 52079 1 483 . 1 . 1 50 50 VAL H H 1 8.194 0.000 . 1 . . . . . 210 V H . 52079 1 484 . 1 . 1 50 50 VAL HA H 1 4.012 0.000 . 1 . . . . . 210 V HA . 52079 1 485 . 1 . 1 50 50 VAL HB H 1 1.942 0.000 . 1 . . . . . 210 V HB . 52079 1 486 . 1 . 1 50 50 VAL HG11 H 1 0.814 0.000 . 2 . . . . . 210 V HG1* . 52079 1 487 . 1 . 1 50 50 VAL HG12 H 1 0.814 0.000 . 2 . . . . . 210 V HG1* . 52079 1 488 . 1 . 1 50 50 VAL HG13 H 1 0.814 0.000 . 2 . . . . . 210 V HG1* . 52079 1 489 . 1 . 1 50 50 VAL HG21 H 1 0.812 0.000 . 2 . . . . . 210 V HG2* . 52079 1 490 . 1 . 1 50 50 VAL HG22 H 1 0.812 0.000 . 2 . . . . . 210 V HG2* . 52079 1 491 . 1 . 1 50 50 VAL HG23 H 1 0.812 0.000 . 2 . . . . . 210 V HG2* . 52079 1 492 . 1 . 1 50 50 VAL C C 13 175.915 0.003 . 1 . . . . . 210 V C . 52079 1 493 . 1 . 1 50 50 VAL CA C 13 62.121 0.000 . 1 . . . . . 210 V CA . 52079 1 494 . 1 . 1 50 50 VAL CB C 13 32.942 0.000 . 1 . . . . . 210 V CB . 52079 1 495 . 1 . 1 50 50 VAL CG1 C 13 20.851 0.000 . 1 . . . . . 210 V CG1 . 52079 1 496 . 1 . 1 50 50 VAL CG2 C 13 20.640 0.000 . 1 . . . . . 210 V CG2 . 52079 1 497 . 1 . 1 50 50 VAL N N 15 122.126 0.018 . 1 . . . . . 210 V N . 52079 1 498 . 1 . 1 51 51 LYS H H 1 8.419 0.001 . 1 . . . . . 211 K H . 52079 1 499 . 1 . 1 51 51 LYS HA H 1 4.175 0.000 . 1 . . . . . 211 K HA . 52079 1 500 . 1 . 1 51 51 LYS HB2 H 1 1.659 0.000 . 2 . . . . . 211 K HB* . 52079 1 501 . 1 . 1 51 51 LYS HB3 H 1 1.659 0.000 . 2 . . . . . 211 K HB* . 52079 1 502 . 1 . 1 51 51 LYS HG2 H 1 1.299 0.000 . 4 . . . . . 211 K HG* . 52079 1 503 . 1 . 1 51 51 LYS HG3 H 1 1.299 0.000 . 2 . . . . . 211 K HG* . 52079 1 504 . 1 . 1 51 51 LYS HD2 H 1 1.558 0.000 . 4 . . . . . 211 K HD* . 52079 1 505 . 1 . 1 51 51 LYS HD3 H 1 1.558 0.000 . 2 . . . . . 211 K HD* . 52079 1 506 . 1 . 1 51 51 LYS HE2 H 1 2.856 0.000 . 2 . . . . . 211 K HE* . 52079 1 507 . 1 . 1 51 51 LYS HE3 H 1 2.856 0.000 . 2 . . . . . 211 K HE* . 52079 1 508 . 1 . 1 51 51 LYS C C 13 176.800 0.003 . 1 . . . . . 211 K C . 52079 1 509 . 1 . 1 51 51 LYS CA C 13 56.559 0.000 . 1 . . . . . 211 K CA . 52079 1 510 . 1 . 1 51 51 LYS CB C 13 33.113 0.000 . 1 . . . . . 211 K CB . 52079 1 511 . 1 . 1 51 51 LYS CG C 13 24.673 0.000 . 1 . . . . . 211 K CG . 52079 1 512 . 1 . 1 51 51 LYS CD C 13 29.127 0.000 . 1 . . . . . 211 K CD . 52079 1 513 . 1 . 1 51 51 LYS CE C 13 42.112 0.000 . 1 . . . . . 211 K CE . 52079 1 514 . 1 . 1 51 51 LYS N N 15 125.558 0.022 . 1 . . . . . 211 K N . 52079 1 515 . 1 . 1 52 52 GLY H H 1 8.397 0.001 . 1 . . . . . 212 G H . 52079 1 516 . 1 . 1 52 52 GLY HA2 H 1 3.871 0.000 . 2 . . . . . 212 G HA* . 52079 1 517 . 1 . 1 52 52 GLY HA3 H 1 3.871 0.000 . 2 . . . . . 212 G HA* . 52079 1 518 . 1 . 1 52 52 GLY C C 13 173.923 0.004 . 1 . . . . . 212 G C . 52079 1 519 . 1 . 1 52 52 GLY CA C 13 45.139 0.000 . 1 . . . . . 212 G CA . 52079 1 520 . 1 . 1 52 52 GLY N N 15 110.545 0.027 . 1 . . . . . 212 G N . 52079 1 521 . 1 . 1 53 53 VAL H H 1 8.058 0.001 . 1 . . . . . 213 V H . 52079 1 522 . 1 . 1 53 53 VAL HA H 1 4.018 0.000 . 1 . . . . . 213 V HA . 52079 1 523 . 1 . 1 53 53 VAL HB H 1 1.973 0.000 . 1 . . . . . 213 V HB . 52079 1 524 . 1 . 1 53 53 VAL HG11 H 1 0.806 0.000 . 2 . . . . . 213 V HG1* . 52079 1 525 . 1 . 1 53 53 VAL HG12 H 1 0.806 0.000 . 2 . . . . . 213 V HG1* . 52079 1 526 . 1 . 1 53 53 VAL HG13 H 1 0.806 0.000 . 2 . . . . . 213 V HG1* . 52079 1 527 . 1 . 1 53 53 VAL HG21 H 1 0.808 0.000 . 2 . . . . . 213 V HG2* . 52079 1 528 . 1 . 1 53 53 VAL HG22 H 1 0.808 0.000 . 2 . . . . . 213 V HG2* . 52079 1 529 . 1 . 1 53 53 VAL HG23 H 1 0.808 0.000 . 2 . . . . . 213 V HG2* . 52079 1 530 . 1 . 1 53 53 VAL C C 13 176.652 0.004 . 1 . . . . . 213 V C . 52079 1 531 . 1 . 1 53 53 VAL CA C 13 62.353 0.000 . 1 . . . . . 213 V CA . 52079 1 532 . 1 . 1 53 53 VAL CB C 13 32.678 0.000 . 1 . . . . . 213 V CB . 52079 1 533 . 1 . 1 53 53 VAL CG1 C 13 20.667 0.000 . 1 . . . . . 213 V CG1 . 52079 1 534 . 1 . 1 53 53 VAL CG2 C 13 20.667 0.000 . 1 . . . . . 213 V CG2 . 52079 1 535 . 1 . 1 53 53 VAL N N 15 119.009 0.018 . 1 . . . . . 213 V N . 52079 1 536 . 1 . 1 54 54 GLY H H 1 8.494 0.001 . 1 . . . . . 214 G H . 52079 1 537 . 1 . 1 54 54 GLY HA2 H 1 3.781 0.000 . 2 . . . . . 214 G HA* . 52079 1 538 . 1 . 1 54 54 GLY HA3 H 1 3.781 0.000 . 2 . . . . . 214 G HA* . 52079 1 539 . 1 . 1 54 54 GLY C C 13 173.940 0.005 . 1 . . . . . 214 G C . 52079 1 540 . 1 . 1 54 54 GLY CA C 13 45.079 0.000 . 1 . . . . . 214 G CA . 52079 1 541 . 1 . 1 54 54 GLY N N 15 112.347 0.026 . 1 . . . . . 214 G N . 52079 1 542 . 1 . 1 55 55 PHE H H 1 8.181 0.000 . 1 . . . . . 215 F H . 52079 1 543 . 1 . 1 55 55 PHE HA H 1 4.504 0.000 . 1 . . . . . 215 F HA . 52079 1 544 . 1 . 1 55 55 PHE HB2 H 1 2.909 0.000 . 2 . . . . . 215 F HB2 . 52079 1 545 . 1 . 1 55 55 PHE HB3 H 1 3.080 0.000 . 2 . . . . . 215 F HB3 . 52079 1 546 . 1 . 1 55 55 PHE C C 13 176.361 0.004 . 1 . . . . . 215 F C . 52079 1 547 . 1 . 1 55 55 PHE CA C 13 58.108 0.000 . 1 . . . . . 215 F CA . 52079 1 548 . 1 . 1 55 55 PHE CB C 13 39.620 0.000 . 1 . . . . . 215 F CB . 52079 1 549 . 1 . 1 55 55 PHE N N 15 120.086 0.020 . 1 . . . . . 215 F N . 52079 1 550 . 1 . 1 56 56 GLY H H 1 8.427 0.000 . 1 . . . . . 216 G H . 52079 1 551 . 1 . 1 56 56 GLY HA2 H 1 3.810 0.000 . 2 . . . . . 216 G HA* . 52079 1 552 . 1 . 1 56 56 GLY HA3 H 1 3.810 0.000 . 2 . . . . . 216 G HA* . 52079 1 553 . 1 . 1 56 56 GLY C C 13 173.880 0.004 . 1 . . . . . 216 G C . 52079 1 554 . 1 . 1 56 56 GLY CA C 13 45.347 0.000 . 1 . . . . . 216 G CA . 52079 1 555 . 1 . 1 56 56 GLY N N 15 110.121 0.013 . 1 . . . . . 216 G N . 52079 1 556 . 1 . 1 57 57 ASP H H 1 8.174 0.000 . 1 . . . . . 217 D H . 52079 1 557 . 1 . 1 57 57 ASP HA H 1 4.502 0.000 . 1 . . . . . 217 D HA . 52079 1 558 . 1 . 1 57 57 ASP HB2 H 1 2.521 0.000 . 2 . . . . . 217 D HB* . 52079 1 559 . 1 . 1 57 57 ASP HB3 H 1 2.521 0.000 . 2 . . . . . 217 D HB* . 52079 1 560 . 1 . 1 57 57 ASP C C 13 176.495 0.003 . 1 . . . . . 217 D C . 52079 1 561 . 1 . 1 57 57 ASP CA C 13 54.506 0.000 . 1 . . . . . 217 D CA . 52079 1 562 . 1 . 1 57 57 ASP CB C 13 41.239 0.000 . 1 . . . . . 217 D CB . 52079 1 563 . 1 . 1 57 57 ASP N N 15 120.666 0.024 . 1 . . . . . 217 D N . 52079 1 564 . 1 . 1 58 58 ILE H H 1 7.916 0.002 . 1 . . . . . 218 I H . 52079 1 565 . 1 . 1 58 58 ILE HA H 1 3.971 0.000 . 1 . . . . . 218 I HA . 52079 1 566 . 1 . 1 58 58 ILE HB H 1 1.652 0.000 . 1 . . . . . 218 I HB . 52079 1 567 . 1 . 1 58 58 ILE HG12 H 1 1.051 0.000 . 2 . . . . . 218 I HG1* . 52079 1 568 . 1 . 1 58 58 ILE HG13 H 1 1.051 0.000 . 2 . . . . . 218 I HG1* . 52079 1 569 . 1 . 1 58 58 ILE HG21 H 1 0.937 0.000 . 1 . . . . . 218 I HG2* . 52079 1 570 . 1 . 1 58 58 ILE HG22 H 1 0.937 0.000 . 1 . . . . . 218 I HG2* . 52079 1 571 . 1 . 1 58 58 ILE HG23 H 1 0.937 0.000 . 1 . . . . . 218 I HG2* . 52079 1 572 . 1 . 1 58 58 ILE HD11 H 1 0.632 0.000 . 1 . . . . . 218 I HD1* . 52079 1 573 . 1 . 1 58 58 ILE HD12 H 1 0.632 0.000 . 1 . . . . . 218 I HD1* . 52079 1 574 . 1 . 1 58 58 ILE HD13 H 1 0.632 0.000 . 1 . . . . . 218 I HD1* . 52079 1 575 . 1 . 1 58 58 ILE C C 13 176.095 0.003 . 1 . . . . . 218 I C . 52079 1 576 . 1 . 1 58 58 ILE CA C 13 61.794 0.000 . 1 . . . . . 218 I CA . 52079 1 577 . 1 . 1 58 58 ILE CB C 13 38.536 0.000 . 1 . . . . . 218 I CB . 52079 1 578 . 1 . 1 58 58 ILE CG1 C 13 26.914 0.000 . 1 . . . . . 218 I CG1 . 52079 1 579 . 1 . 1 58 58 ILE CG2 C 13 17.369 0.000 . 1 . . . . . 218 I CG2 . 52079 1 580 . 1 . 1 58 58 ILE CD1 C 13 13.249 0.000 . 1 . . . . . 218 I CD1 . 52079 1 581 . 1 . 1 58 58 ILE N N 15 119.617 0.036 . 1 . . . . . 218 I N . 52079 1 582 . 1 . 1 59 59 PHE H H 1 8.227 0.001 . 1 . . . . . 219 F H . 52079 1 583 . 1 . 1 59 59 PHE HA H 1 4.541 0.000 . 1 . . . . . 219 F HA . 52079 1 584 . 1 . 1 59 59 PHE HB2 H 1 2.890 0.000 . 2 . . . . . 219 F HB2 . 52079 1 585 . 1 . 1 59 59 PHE HB3 H 1 3.097 0.000 . 2 . . . . . 219 F HB3 . 52079 1 586 . 1 . 1 59 59 PHE C C 13 175.747 0.004 . 1 . . . . . 219 F C . 52079 1 587 . 1 . 1 59 59 PHE CA C 13 57.814 0.000 . 1 . . . . . 219 F CA . 52079 1 588 . 1 . 1 59 59 PHE CB C 13 39.180 0.000 . 1 . . . . . 219 F CB . 52079 1 589 . 1 . 1 59 59 PHE N N 15 122.765 0.017 . 1 . . . . . 219 F N . 52079 1 590 . 1 . 1 60 60 LYS H H 1 8.002 0.002 . 1 . . . . . 220 K H . 52079 1 591 . 1 . 1 60 60 LYS HA H 1 4.163 0.000 . 1 . . . . . 220 K HA . 52079 1 592 . 1 . 1 60 60 LYS HB2 H 1 1.629 0.000 . 2 . . . . . 220 K HB* . 52079 1 593 . 1 . 1 60 60 LYS HB3 H 1 1.629 0.000 . 2 . . . . . 220 K HB* . 52079 1 594 . 1 . 1 60 60 LYS HG2 H 1 1.283 0.000 . 4 . . . . . 220 K HG* . 52079 1 595 . 1 . 1 60 60 LYS HG3 H 1 1.283 0.000 . 2 . . . . . 220 K HG* . 52079 1 596 . 1 . 1 60 60 LYS HD2 H 1 1.555 0.000 . 4 . . . . . 220 K HD* . 52079 1 597 . 1 . 1 60 60 LYS HD3 H 1 1.555 0.000 . 2 . . . . . 220 K HD* . 52079 1 598 . 1 . 1 60 60 LYS HE2 H 1 2.884 0.000 . 2 . . . . . 220 K HE* . 52079 1 599 . 1 . 1 60 60 LYS HE3 H 1 2.884 0.000 . 2 . . . . . 220 K HE* . 52079 1 600 . 1 . 1 60 60 LYS C C 13 175.932 0.004 . 1 . . . . . 220 K C . 52079 1 601 . 1 . 1 60 60 LYS CA C 13 56.541 0.000 . 1 . . . . . 220 K CA . 52079 1 602 . 1 . 1 60 60 LYS CB C 13 33.151 0.000 . 1 . . . . . 220 K CB . 52079 1 603 . 1 . 1 60 60 LYS CG C 13 24.547 0.000 . 1 . . . . . 220 K CG . 52079 1 604 . 1 . 1 60 60 LYS CD C 13 28.978 0.000 . 1 . . . . . 220 K CD . 52079 1 605 . 1 . 1 60 60 LYS CE C 13 42.131 0.000 . 1 . . . . . 220 K CE . 52079 1 606 . 1 . 1 60 60 LYS N N 15 122.507 0.012 . 1 . . . . . 220 K N . 52079 1 607 . 1 . 1 61 61 ASP H H 1 8.223 0.000 . 1 . . . . . 221 D H . 52079 1 608 . 1 . 1 61 61 ASP HA H 1 4.450 0.000 . 1 . . . . . 221 D HA . 52079 1 609 . 1 . 1 61 61 ASP HB2 H 1 2.536 0.000 . 2 . . . . . 221 D HB* . 52079 1 610 . 1 . 1 61 61 ASP HB3 H 1 2.536 0.000 . 2 . . . . . 221 D HB* . 52079 1 611 . 1 . 1 61 61 ASP C C 13 175.643 0.004 . 1 . . . . . 221 D C . 52079 1 612 . 1 . 1 61 61 ASP CA C 13 54.425 0.000 . 1 . . . . . 221 D CA . 52079 1 613 . 1 . 1 61 61 ASP CB C 13 41.153 0.000 . 1 . . . . . 221 D CB . 52079 1 614 . 1 . 1 61 61 ASP N N 15 120.627 0.019 . 1 . . . . . 221 D N . 52079 1 615 . 1 . 1 62 62 LYS H H 1 8.082 0.001 . 1 . . . . . 222 K H . 52079 1 616 . 1 . 1 62 62 LYS HA H 1 4.486 0.000 . 1 . . . . . 222 K HA . 52079 1 617 . 1 . 1 62 62 LYS HB2 H 1 1.733 0.000 . 2 . . . . . 222 K HB* . 52079 1 618 . 1 . 1 62 62 LYS HB3 H 1 1.733 0.000 . 2 . . . . . 222 K HB* . 52079 1 619 . 1 . 1 62 62 LYS HG2 H 1 1.348 0.000 . 4 . . . . . 222 K HG* . 52079 1 620 . 1 . 1 62 62 LYS HG3 H 1 1.348 0.000 . 2 . . . . . 222 K HG* . 52079 1 621 . 1 . 1 62 62 LYS HD2 H 1 1.583 0.000 . 4 . . . . . 222 K HD* . 52079 1 622 . 1 . 1 62 62 LYS HD3 H 1 1.583 0.000 . 2 . . . . . 222 K HD* . 52079 1 623 . 1 . 1 62 62 LYS HE2 H 1 2.879 0.000 . 2 . . . . . 222 K HE* . 52079 1 624 . 1 . 1 62 62 LYS HE3 H 1 2.879 0.000 . 2 . . . . . 222 K HE* . 52079 1 625 . 1 . 1 62 62 LYS C C 13 174.276 0.003 . 1 . . . . . 222 K C . 52079 1 626 . 1 . 1 62 62 LYS CA C 13 54.139 0.000 . 1 . . . . . 222 K CA . 52079 1 627 . 1 . 1 62 62 LYS CB C 13 32.576 0.000 . 1 . . . . . 222 K CB . 52079 1 628 . 1 . 1 62 62 LYS CG C 13 24.460 0.000 . 1 . . . . . 222 K CG . 52079 1 629 . 1 . 1 62 62 LYS CD C 13 29.039 0.000 . 1 . . . . . 222 K CD . 52079 1 630 . 1 . 1 62 62 LYS CE C 13 42.162 0.000 . 1 . . . . . 222 K CE . 52079 1 631 . 1 . 1 62 62 LYS N N 15 122.012 0.019 . 1 . . . . . 222 K N . 52079 1 632 . 1 . 1 63 63 PRO HA H 1 4.344 0.000 . 1 . . . . . 223 P HA . 52079 1 633 . 1 . 1 63 63 PRO HB2 H 1 2.185 0.000 . 2 . . . . . 223 P HB* . 52079 1 634 . 1 . 1 63 63 PRO HB3 H 1 2.185 0.000 . 2 . . . . . 223 P HB* . 52079 1 635 . 1 . 1 63 63 PRO HG2 H 1 1.775 0.000 . 2 . . . . . 223 P HG2 . 52079 1 636 . 1 . 1 63 63 PRO HG3 H 1 1.907 0.000 . 2 . . . . . 223 P HG3 . 52079 1 637 . 1 . 1 63 63 PRO HD2 H 1 3.501 0.000 . 2 . . . . . 223 P HD2 . 52079 1 638 . 1 . 1 63 63 PRO HD3 H 1 3.687 0.000 . 2 . . . . . 223 P HD3 . 52079 1 639 . 1 . 1 63 63 PRO C C 13 176.792 0.008 . 1 . . . . . 223 P C . 52079 1 640 . 1 . 1 63 63 PRO CA C 13 63.013 0.000 . 1 . . . . . 223 P CA . 52079 1 641 . 1 . 1 63 63 PRO CB C 13 32.001 0.000 . 1 . . . . . 223 P CB . 52079 1 642 . 1 . 1 63 63 PRO CG C 13 27.486 0.020 . 1 . . . . . 223 P CG . 52079 1 643 . 1 . 1 63 63 PRO CD C 13 50.698 0.000 . 1 . . . . . 223 P CD . 52079 1 644 . 1 . 1 63 63 PRO N N 15 136.787 0.026 . 1 . . . . . 223 P N . 52079 1 645 . 1 . 1 64 64 ILE H H 1 8.194 0.001 . 1 . . . . . 224 I H . 52079 1 646 . 1 . 1 64 64 ILE HA H 1 4.020 0.000 . 1 . . . . . 224 I HA . 52079 1 647 . 1 . 1 64 64 ILE HB H 1 1.720 0.000 . 1 . . . . . 224 I HB . 52079 1 648 . 1 . 1 64 64 ILE HG12 H 1 1.100 0.000 . 2 . . . . . 224 I HG1* . 52079 1 649 . 1 . 1 64 64 ILE HG13 H 1 1.100 0.000 . 2 . . . . . 224 I HG1* . 52079 1 650 . 1 . 1 64 64 ILE HG21 H 1 1.388 0.000 . 1 . . . . . 224 I HG2* . 52079 1 651 . 1 . 1 64 64 ILE HG22 H 1 1.388 0.000 . 1 . . . . . 224 I HG2* . 52079 1 652 . 1 . 1 64 64 ILE HG23 H 1 1.388 0.000 . 1 . . . . . 224 I HG2* . 52079 1 653 . 1 . 1 64 64 ILE HD11 H 1 0.781 0.000 . 1 . . . . . 224 I HD1* . 52079 1 654 . 1 . 1 64 64 ILE HD12 H 1 0.781 0.000 . 1 . . . . . 224 I HD1* . 52079 1 655 . 1 . 1 64 64 ILE HD13 H 1 0.781 0.000 . 1 . . . . . 224 I HD1* . 52079 1 656 . 1 . 1 64 64 ILE C C 13 176.047 0.004 . 1 . . . . . 224 I C . 52079 1 657 . 1 . 1 64 64 ILE CA C 13 61.102 0.000 . 1 . . . . . 224 I CA . 52079 1 658 . 1 . 1 64 64 ILE CB C 13 38.827 0.000 . 1 . . . . . 224 I CB . 52079 1 659 . 1 . 1 64 64 ILE CG1 C 13 27.359 0.000 . 1 . . . . . 224 I CG1 . 52079 1 660 . 1 . 1 64 64 ILE CG2 C 13 17.490 0.000 . 1 . . . . . 224 I CG2 . 52079 1 661 . 1 . 1 64 64 ILE CD1 C 13 13.080 0.000 . 1 . . . . . 224 I CD1 . 52079 1 662 . 1 . 1 64 64 ILE N N 15 121.325 0.055 . 1 . . . . . 224 I N . 52079 1 663 . 1 . 1 65 65 LYS H H 1 8.313 0.001 . 1 . . . . . 225 K H . 52079 1 664 . 1 . 1 65 65 LYS HA H 1 4.251 0.000 . 1 . . . . . 225 K HA . 52079 1 665 . 1 . 1 65 65 LYS HB2 H 1 1.590 0.000 . 2 . . . . . 225 K HB2 . 52079 1 666 . 1 . 1 65 65 LYS HG3 H 1 1.282 0.000 . 2 . . . . . 225 K HG3 . 52079 1 667 . 1 . 1 65 65 LYS HE2 H 1 2.881 0.000 . 2 . . . . . 225 K HE* . 52079 1 668 . 1 . 1 65 65 LYS HE3 H 1 2.881 0.000 . 2 . . . . . 225 K HE* . 52079 1 669 . 1 . 1 65 65 LYS C C 13 175.881 0.003 . 1 . . . . . 225 K C . 52079 1 670 . 1 . 1 65 65 LYS CA C 13 55.931 0.000 . 1 . . . . . 225 K CA . 52079 1 671 . 1 . 1 65 65 LYS CB C 13 33.085 0.000 . 1 . . . . . 225 K CB . 52079 1 672 . 1 . 1 65 65 LYS CG C 13 24.574 0.000 . 1 . . . . . 225 K CG . 52079 1 673 . 1 . 1 65 65 LYS CD C 13 29.021 0.000 . 1 . . . . . 225 K CD . 52079 1 674 . 1 . 1 65 65 LYS CE C 13 42.085 0.000 . 1 . . . . . 225 K CE . 52079 1 675 . 1 . 1 65 65 LYS N N 15 125.861 0.019 . 1 . . . . . 225 K N . 52079 1 676 . 1 . 1 66 66 LEU H H 1 8.291 0.000 . 1 . . . . . 226 L H . 52079 1 677 . 1 . 1 66 66 LEU HA H 1 4.252 0.000 . 1 . . . . . 226 L HA . 52079 1 678 . 1 . 1 66 66 LEU HB2 H 1 1.500 0.000 . 2 . . . . . 226 L HB* . 52079 1 679 . 1 . 1 66 66 LEU HB3 H 1 1.500 0.000 . 2 . . . . . 226 L HB* . 52079 1 680 . 1 . 1 66 66 LEU HD11 H 1 0.788 0.000 . 2 . . . . . 226 L HD1* . 52079 1 681 . 1 . 1 66 66 LEU HD12 H 1 0.788 0.000 . 2 . . . . . 226 L HD1* . 52079 1 682 . 1 . 1 66 66 LEU HD13 H 1 0.788 0.000 . 2 . . . . . 226 L HD1* . 52079 1 683 . 1 . 1 66 66 LEU HD21 H 1 0.788 0.000 . 2 . . . . . 226 L HD2* . 52079 1 684 . 1 . 1 66 66 LEU HD22 H 1 0.788 0.000 . 2 . . . . . 226 L HD2* . 52079 1 685 . 1 . 1 66 66 LEU HD23 H 1 0.788 0.000 . 2 . . . . . 226 L HD2* . 52079 1 686 . 1 . 1 66 66 LEU C C 13 176.548 0.003 . 1 . . . . . 226 L C . 52079 1 687 . 1 . 1 66 66 LEU CA C 13 54.785 0.000 . 1 . . . . . 226 L CA . 52079 1 688 . 1 . 1 66 66 LEU CB C 13 42.601 0.000 . 1 . . . . . 226 L CB . 52079 1 689 . 1 . 1 66 66 LEU CG C 13 26.869 0.000 . 1 . . . . . 226 L CG . 52079 1 690 . 1 . 1 66 66 LEU CD1 C 13 23.395 0.000 . 2 . . . . . 226 L CD1 . 52079 1 691 . 1 . 1 66 66 LEU CD2 C 13 24.879 0.000 . 2 . . . . . 226 L CD2 . 52079 1 692 . 1 . 1 66 66 LEU N N 15 124.933 0.020 . 1 . . . . . 226 L N . 52079 1 693 . 1 . 1 67 67 ALA H H 1 8.299 0.000 . 1 . . . . . 227 A H . 52079 1 694 . 1 . 1 67 67 ALA HA H 1 4.474 0.000 . 1 . . . . . 227 A HA . 52079 1 695 . 1 . 1 67 67 ALA HB1 H 1 1.245 0.000 . 1 . . . . . 227 A HB* . 52079 1 696 . 1 . 1 67 67 ALA HB2 H 1 1.245 0.000 . 1 . . . . . 227 A HB* . 52079 1 697 . 1 . 1 67 67 ALA HB3 H 1 1.245 0.000 . 1 . . . . . 227 A HB* . 52079 1 698 . 1 . 1 67 67 ALA C C 13 175.356 0.003 . 1 . . . . . 227 A C . 52079 1 699 . 1 . 1 67 67 ALA CA C 13 50.243 0.000 . 1 . . . . . 227 A CA . 52079 1 700 . 1 . 1 67 67 ALA CB C 13 18.197 0.000 . 1 . . . . . 227 A CB . 52079 1 701 . 1 . 1 67 67 ALA N N 15 126.430 0.016 . 1 . . . . . 227 A N . 52079 1 702 . 1 . 1 68 68 PRO HA H 1 4.302 0.000 . 1 . . . . . 228 P HA . 52079 1 703 . 1 . 1 68 68 PRO HB2 H 1 2.196 0.000 . 2 . . . . . 228 P HB* . 52079 1 704 . 1 . 1 68 68 PRO HB3 H 1 2.196 0.000 . 2 . . . . . 228 P HB* . 52079 1 705 . 1 . 1 68 68 PRO HG2 H 1 1.886 0.000 . 2 . . . . . 228 P HG* . 52079 1 706 . 1 . 1 68 68 PRO HG3 H 1 1.886 0.000 . 2 . . . . . 228 P HG* . 52079 1 707 . 1 . 1 68 68 PRO HD2 H 1 3.676 0.000 . 2 . . . . . 228 P HD2 . 52079 1 708 . 1 . 1 68 68 PRO HD3 H 1 3.546 0.000 . 2 . . . . . 228 P HD3 . 52079 1 709 . 1 . 1 68 68 PRO C C 13 176.672 0.003 . 1 . . . . . 228 P C . 52079 1 710 . 1 . 1 68 68 PRO CA C 13 63.083 0.000 . 1 . . . . . 228 P CA . 52079 1 711 . 1 . 1 68 68 PRO CB C 13 31.972 0.000 . 1 . . . . . 228 P CB . 52079 1 712 . 1 . 1 68 68 PRO CG C 13 27.446 0.000 . 1 . . . . . 228 P CG . 52079 1 713 . 1 . 1 68 68 PRO CD C 13 50.529 0.000 . 1 . . . . . 228 P CD . 52079 1 714 . 1 . 1 68 68 PRO N N 15 135.573 0.012 . 1 . . . . . 228 P N . 52079 1 715 . 1 . 1 69 69 ALA H H 1 8.381 0.000 . 1 . . . . . 229 A H . 52079 1 716 . 1 . 1 69 69 ALA HA H 1 4.216 0.000 . 1 . . . . . 229 A HA . 52079 1 717 . 1 . 1 69 69 ALA HB1 H 1 1.311 0.000 . 1 . . . . . 229 A HB* . 52079 1 718 . 1 . 1 69 69 ALA HB2 H 1 1.311 0.000 . 1 . . . . . 229 A HB* . 52079 1 719 . 1 . 1 69 69 ALA HB3 H 1 1.311 0.000 . 1 . . . . . 229 A HB* . 52079 1 720 . 1 . 1 69 69 ALA C C 13 177.807 0.004 . 1 . . . . . 229 A C . 52079 1 721 . 1 . 1 69 69 ALA CA C 13 52.617 0.000 . 1 . . . . . 229 A CA . 52079 1 722 . 1 . 1 69 69 ALA CB C 13 19.230 0.000 . 1 . . . . . 229 A CB . 52079 1 723 . 1 . 1 69 69 ALA N N 15 123.982 0.017 . 1 . . . . . 229 A N . 52079 1 724 . 1 . 1 70 70 SER H H 1 8.244 0.000 . 1 . . . . . 230 S H . 52079 1 725 . 1 . 1 70 70 SER HA H 1 4.366 0.000 . 1 . . . . . 230 S HA . 52079 1 726 . 1 . 1 70 70 SER HB2 H 1 3.775 0.000 . 2 . . . . . 230 S HB* . 52079 1 727 . 1 . 1 70 70 SER HB3 H 1 3.775 0.000 . 2 . . . . . 230 S HB* . 52079 1 728 . 1 . 1 70 70 SER C C 13 174.436 0.004 . 1 . . . . . 230 S C . 52079 1 729 . 1 . 1 70 70 SER CA C 13 58.172 0.000 . 1 . . . . . 230 S CA . 52079 1 730 . 1 . 1 70 70 SER CB C 13 64.467 0.000 . 1 . . . . . 230 S CB . 52079 1 731 . 1 . 1 70 70 SER N N 15 115.024 0.019 . 1 . . . . . 230 S N . 52079 1 732 . 1 . 1 71 71 ILE H H 1 8.115 0.000 . 1 . . . . . 231 I H . 52079 1 733 . 1 . 1 71 71 ILE HA H 1 4.083 0.000 . 1 . . . . . 231 I HA . 52079 1 734 . 1 . 1 71 71 ILE HB H 1 1.777 0.000 . 1 . . . . . 231 I HB . 52079 1 735 . 1 . 1 71 71 ILE HG12 H 1 1.092 0.000 . 2 . . . . . 231 I HG1* . 52079 1 736 . 1 . 1 71 71 ILE HG13 H 1 1.092 0.000 . 2 . . . . . 231 I HG1* . 52079 1 737 . 1 . 1 71 71 ILE HG21 H 1 1.330 0.000 . 1 . . . . . 231 I HG2* . 52079 1 738 . 1 . 1 71 71 ILE HG22 H 1 1.330 0.000 . 1 . . . . . 231 I HG2* . 52079 1 739 . 1 . 1 71 71 ILE HG23 H 1 1.330 0.000 . 1 . . . . . 231 I HG2* . 52079 1 740 . 1 . 1 71 71 ILE HD11 H 1 0.805 0.000 . 1 . . . . . 231 I HD1* . 52079 1 741 . 1 . 1 71 71 ILE HD12 H 1 0.805 0.000 . 1 . . . . . 231 I HD1* . 52079 1 742 . 1 . 1 71 71 ILE HD13 H 1 0.805 0.000 . 1 . . . . . 231 I HD1* . 52079 1 743 . 1 . 1 71 71 ILE C C 13 176.077 0.004 . 1 . . . . . 231 I C . 52079 1 744 . 1 . 1 71 71 ILE CA C 13 61.293 0.000 . 1 . . . . . 231 I CA . 52079 1 745 . 1 . 1 71 71 ILE CB C 13 38.836 0.000 . 1 . . . . . 231 I CB . 52079 1 746 . 1 . 1 71 71 ILE CG1 C 13 27.232 0.000 . 1 . . . . . 231 I CG1 . 52079 1 747 . 1 . 1 71 71 ILE CG2 C 13 17.566 0.000 . 1 . . . . . 231 I CG2 . 52079 1 748 . 1 . 1 71 71 ILE CD1 C 13 13.121 0.000 . 1 . . . . . 231 I CD1 . 52079 1 749 . 1 . 1 71 71 ILE N N 15 121.886 0.010 . 1 . . . . . 231 I N . 52079 1 750 . 1 . 1 72 72 GLU H H 1 8.418 0.000 . 1 . . . . . 232 E H . 52079 1 751 . 1 . 1 72 72 GLU HA H 1 4.239 0.000 . 1 . . . . . 232 E HA . 52079 1 752 . 1 . 1 72 72 GLU HB2 H 1 1.888 0.000 . 2 . . . . . 232 E HB* . 52079 1 753 . 1 . 1 72 72 GLU HB3 H 1 1.888 0.000 . 2 . . . . . 232 E HB* . 52079 1 754 . 1 . 1 72 72 GLU HG2 H 1 2.154 0.000 . 2 . . . . . 232 E HG* . 52079 1 755 . 1 . 1 72 72 GLU HG3 H 1 2.154 0.000 . 2 . . . . . 232 E HG* . 52079 1 756 . 1 . 1 72 72 GLU C C 13 176.298 0.003 . 1 . . . . . 232 E C . 52079 1 757 . 1 . 1 72 72 GLU CA C 13 56.472 0.000 . 1 . . . . . 232 E CA . 52079 1 758 . 1 . 1 72 72 GLU CB C 13 30.241 0.000 . 1 . . . . . 232 E CB . 52079 1 759 . 1 . 1 72 72 GLU CG C 13 36.091 0.000 . 1 . . . . . 232 E CG . 52079 1 760 . 1 . 1 72 72 GLU N N 15 124.752 0.039 . 1 . . . . . 232 E N . 52079 1 761 . 1 . 1 73 73 VAL H H 1 8.139 0.001 . 1 . . . . . 233 V H . 52079 1 762 . 1 . 1 73 73 VAL HA H 1 4.046 0.000 . 1 . . . . . 233 V HA . 52079 1 763 . 1 . 1 73 73 VAL HB H 1 1.980 0.000 . 1 . . . . . 233 V HB . 52079 1 764 . 1 . 1 73 73 VAL HG11 H 1 0.829 0.000 . 2 . . . . . 233 V HG1* . 52079 1 765 . 1 . 1 73 73 VAL HG12 H 1 0.829 0.000 . 2 . . . . . 233 V HG1* . 52079 1 766 . 1 . 1 73 73 VAL HG13 H 1 0.829 0.000 . 2 . . . . . 233 V HG1* . 52079 1 767 . 1 . 1 73 73 VAL HG21 H 1 0.802 0.000 . 2 . . . . . 233 V HG2* . 52079 1 768 . 1 . 1 73 73 VAL HG22 H 1 0.802 0.000 . 2 . . . . . 233 V HG2* . 52079 1 769 . 1 . 1 73 73 VAL HG23 H 1 0.802 0.000 . 2 . . . . . 233 V HG2* . 52079 1 770 . 1 . 1 73 73 VAL C C 13 176.074 0.003 . 1 . . . . . 233 V C . 52079 1 771 . 1 . 1 73 73 VAL CA C 13 62.212 0.000 . 1 . . . . . 233 V CA . 52079 1 772 . 1 . 1 73 73 VAL CB C 13 32.922 0.000 . 1 . . . . . 233 V CB . 52079 1 773 . 1 . 1 73 73 VAL CG1 C 13 20.777 0.000 . 1 . . . . . 233 V CG1 . 52079 1 774 . 1 . 1 73 73 VAL CG2 C 13 20.737 0.000 . 1 . . . . . 233 V CG2 . 52079 1 775 . 1 . 1 73 73 VAL N N 15 121.051 0.014 . 1 . . . . . 233 V N . 52079 1 776 . 1 . 1 74 74 GLU H H 1 8.483 0.003 . 1 . . . . . 234 E H . 52079 1 777 . 1 . 1 74 74 GLU HA H 1 4.170 0.000 . 1 . . . . . 234 E HA . 52079 1 778 . 1 . 1 74 74 GLU HB2 H 1 1.889 0.000 . 2 . . . . . 234 E HB* . 52079 1 779 . 1 . 1 74 74 GLU HB3 H 1 1.889 0.000 . 2 . . . . . 234 E HB* . 52079 1 780 . 1 . 1 74 74 GLU HG2 H 1 2.165 0.000 . 2 . . . . . 234 E HG* . 52079 1 781 . 1 . 1 74 74 GLU HG3 H 1 2.165 0.000 . 2 . . . . . 234 E HG* . 52079 1 782 . 1 . 1 74 74 GLU C C 13 176.181 0.066 . 1 . . . . . 234 E C . 52079 1 783 . 1 . 1 74 74 GLU CA C 13 56.645 0.000 . 1 . . . . . 234 E CA . 52079 1 784 . 1 . 1 74 74 GLU CB C 13 30.224 0.000 . 1 . . . . . 234 E CB . 52079 1 785 . 1 . 1 74 74 GLU CG C 13 36.060 0.031 . 1 . . . . . 234 E CG . 52079 1 786 . 1 . 1 74 74 GLU N N 15 124.398 0.012 . 1 . . . . . 234 E N . 52079 1 787 . 1 . 1 75 75 ASN H H 1 8.415 0.001 . 1 . . . . . 235 N H . 52079 1 788 . 1 . 1 75 75 ASN HA H 1 4.548 0.000 . 1 . . . . . 235 N HA . 52079 1 789 . 1 . 1 75 75 ASN HB2 H 1 2.596 0.000 . 2 . . . . . 235 N HB* . 52079 1 790 . 1 . 1 75 75 ASN HB3 H 1 2.596 0.000 . 2 . . . . . 235 N HB* . 52079 1 791 . 1 . 1 75 75 ASN C C 13 174.786 0.003 . 1 . . . . . 235 N C . 52079 1 792 . 1 . 1 75 75 ASN CA C 13 53.441 0.000 . 1 . . . . . 235 N CA . 52079 1 793 . 1 . 1 75 75 ASN CB C 13 39.311 0.000 . 1 . . . . . 235 N CB . 52079 1 794 . 1 . 1 75 75 ASN N N 15 119.872 0.191 . 1 . . . . . 235 N N . 52079 1 795 . 1 . 1 76 76 ASP H H 1 8.285 0.000 . 1 . . . . . 236 D H . 52079 1 796 . 1 . 1 76 76 ASP HA H 1 4.447 0.000 . 1 . . . . . 236 D HA . 52079 1 797 . 1 . 1 76 76 ASP HB2 H 1 2.463 0.000 . 2 . . . . . 236 D HB* . 52079 1 798 . 1 . 1 76 76 ASP HB3 H 1 2.463 0.000 . 2 . . . . . 236 D HB* . 52079 1 799 . 1 . 1 76 76 ASP C C 13 175.638 0.003 . 1 . . . . . 236 D C . 52079 1 800 . 1 . 1 76 76 ASP CA C 13 54.419 0.000 . 1 . . . . . 236 D CA . 52079 1 801 . 1 . 1 76 76 ASP CB C 13 40.904 0.000 . 1 . . . . . 236 D CB . 52079 1 802 . 1 . 1 76 76 ASP N N 15 120.585 0.010 . 1 . . . . . 236 D N . 52079 1 803 . 1 . 1 77 77 PHE H H 1 8.036 0.001 . 1 . . . . . 237 F H . 52079 1 804 . 1 . 1 77 77 PHE HA H 1 4.491 0.000 . 1 . . . . . 237 F HA . 52079 1 805 . 1 . 1 77 77 PHE HB2 H 1 2.981 0.000 . 2 . . . . . 237 F HB* . 52079 1 806 . 1 . 1 77 77 PHE HB3 H 1 2.981 0.000 . 2 . . . . . 237 F HB* . 52079 1 807 . 1 . 1 77 77 PHE C C 13 175.236 0.004 . 1 . . . . . 237 F C . 52079 1 808 . 1 . 1 77 77 PHE N N 15 119.545 0.020 . 1 . . . . . 237 F N . 52079 1 809 . 1 . 1 78 78 LEU H H 1 8.034 0.002 . 1 . . . . . 238 L H . 52079 1 810 . 1 . 1 78 78 LEU HB2 H 1 1.462 0.000 . 2 . . . . . 238 L HB* . 52079 1 811 . 1 . 1 78 78 LEU HB3 H 1 1.462 0.000 . 2 . . . . . 238 L HB* . 52079 1 812 . 1 . 1 78 78 LEU HG H 1 1.460 0.000 . 1 . . . . . 238 L HG . 52079 1 813 . 1 . 1 78 78 LEU HD11 H 1 0.826 0.000 . 2 . . . . . 238 L HD1* . 52079 1 814 . 1 . 1 78 78 LEU HD12 H 1 0.826 0.000 . 2 . . . . . 238 L HD1* . 52079 1 815 . 1 . 1 78 78 LEU HD13 H 1 0.826 0.000 . 2 . . . . . 238 L HD1* . 52079 1 816 . 1 . 1 78 78 LEU HD21 H 1 0.802 0.000 . 2 . . . . . 238 L HD2* . 52079 1 817 . 1 . 1 78 78 LEU HD22 H 1 0.802 0.000 . 2 . . . . . 238 L HD2* . 52079 1 818 . 1 . 1 78 78 LEU HD23 H 1 0.802 0.000 . 2 . . . . . 238 L HD2* . 52079 1 819 . 1 . 1 78 78 LEU C C 13 174.683 0.003 . 1 . . . . . 238 L C . 52079 1 820 . 1 . 1 78 78 LEU CA C 13 52.805 0.000 . 1 . . . . . 238 L CA . 52079 1 821 . 1 . 1 78 78 LEU CB C 13 42.132 0.000 . 1 . . . . . 238 L CB . 52079 1 822 . 1 . 1 78 78 LEU CG C 13 26.836 0.000 . 1 . . . . . 238 L CG . 52079 1 823 . 1 . 1 78 78 LEU CD1 C 13 23.601 0.000 . 2 . . . . . 238 L CD1 . 52079 1 824 . 1 . 1 78 78 LEU CD2 C 13 25.087 0.000 . 2 . . . . . 238 L CD2 . 52079 1 825 . 1 . 1 78 78 LEU N N 15 125.165 0.021 . 1 . . . . . 238 L N . 52079 1 826 . 1 . 1 79 79 PRO HA H 1 4.361 0.000 . 1 . . . . . 239 P HA . 52079 1 827 . 1 . 1 79 79 PRO HB2 H 1 1.824 0.000 . 2 . . . . . 239 P HB* . 52079 1 828 . 1 . 1 79 79 PRO HB3 H 1 1.824 0.000 . 2 . . . . . 239 P HB* . 52079 1 829 . 1 . 1 79 79 PRO HG2 H 1 2.177 0.000 . 2 . . . . . 239 P HG* . 52079 1 830 . 1 . 1 79 79 PRO HG3 H 1 2.177 0.000 . 2 . . . . . 239 P HG* . 52079 1 831 . 1 . 1 79 79 PRO HD2 H 1 3.642 0.000 . 2 . . . . . 239 P HD2 . 52079 1 832 . 1 . 1 79 79 PRO HD3 H 1 3.503 0.000 . 2 . . . . . 239 P HD3 . 52079 1 833 . 1 . 1 79 79 PRO C C 13 177.088 0.004 . 1 . . . . . 239 P C . 52079 1 834 . 1 . 1 79 79 PRO CA C 13 62.992 0.000 . 1 . . . . . 239 P CA . 52079 1 835 . 1 . 1 79 79 PRO CB C 13 31.906 0.000 . 1 . . . . . 239 P CB . 52079 1 836 . 1 . 1 79 79 PRO CG C 13 27.508 0.000 . 1 . . . . . 239 P CG . 52079 1 837 . 1 . 1 79 79 PRO CD C 13 50.660 0.000 . 1 . . . . . 239 P CD . 52079 1 838 . 1 . 1 79 79 PRO N N 15 136.094 0.022 . 1 . . . . . 239 P N . 52079 1 839 . 1 . 1 80 80 VAL H H 1 8.200 0.000 . 1 . . . . . 240 V H . 52079 1 840 . 1 . 1 80 80 VAL HA H 1 3.961 0.000 . 1 . . . . . 240 V HA . 52079 1 841 . 1 . 1 80 80 VAL HB H 1 1.958 0.000 . 1 . . . . . 240 V HB . 52079 1 842 . 1 . 1 80 80 VAL HG11 H 1 0.869 0.000 . 2 . . . . . 240 V HG1* . 52079 1 843 . 1 . 1 80 80 VAL HG12 H 1 0.869 0.000 . 2 . . . . . 240 V HG1* . 52079 1 844 . 1 . 1 80 80 VAL HG13 H 1 0.869 0.000 . 2 . . . . . 240 V HG1* . 52079 1 845 . 1 . 1 80 80 VAL HG21 H 1 0.869 0.000 . 2 . . . . . 240 V HG2* . 52079 1 846 . 1 . 1 80 80 VAL HG22 H 1 0.869 0.000 . 2 . . . . . 240 V HG2* . 52079 1 847 . 1 . 1 80 80 VAL HG23 H 1 0.869 0.000 . 2 . . . . . 240 V HG2* . 52079 1 848 . 1 . 1 80 80 VAL C C 13 176.548 0.006 . 1 . . . . . 240 V C . 52079 1 849 . 1 . 1 80 80 VAL CA C 13 62.602 0.000 . 1 . . . . . 240 V CA . 52079 1 850 . 1 . 1 80 80 VAL CB C 13 32.739 0.000 . 1 . . . . . 240 V CB . 52079 1 851 . 1 . 1 80 80 VAL CG1 C 13 20.920 0.000 . 1 . . . . . 240 V CG1 . 52079 1 852 . 1 . 1 80 80 VAL CG2 C 13 20.920 0.000 . 1 . . . . . 240 V CG2 . 52079 1 853 . 1 . 1 80 80 VAL N N 15 120.507 0.051 . 1 . . . . . 240 V N . 52079 1 854 . 1 . 1 81 81 GLU H H 1 8.556 0.000 . 1 . . . . . 241 E H . 52079 1 855 . 1 . 1 81 81 GLU HA H 1 4.180 0.000 . 1 . . . . . 241 E HA . 52079 1 856 . 1 . 1 81 81 GLU HB2 H 1 1.890 0.000 . 2 . . . . . 241 E HB* . 52079 1 857 . 1 . 1 81 81 GLU HB3 H 1 1.890 0.000 . 2 . . . . . 241 E HB* . 52079 1 858 . 1 . 1 81 81 GLU HG2 H 1 2.169 0.000 . 2 . . . . . 241 E HG* . 52079 1 859 . 1 . 1 81 81 GLU HG3 H 1 2.169 0.000 . 2 . . . . . 241 E HG* . 52079 1 860 . 1 . 1 81 81 GLU C C 13 176.567 0.003 . 1 . . . . . 241 E C . 52079 1 861 . 1 . 1 81 81 GLU CA C 13 56.850 0.000 . 1 . . . . . 241 E CA . 52079 1 862 . 1 . 1 81 81 GLU CB C 13 30.123 0.000 . 1 . . . . . 241 E CB . 52079 1 863 . 1 . 1 81 81 GLU CG C 13 36.202 0.000 . 1 . . . . . 241 E CG . 52079 1 864 . 1 . 1 81 81 GLU N N 15 124.270 0.025 . 1 . . . . . 241 E N . 52079 1 865 . 1 . 1 82 82 LYS H H 1 8.354 0.000 . 1 . . . . . 242 K H . 52079 1 866 . 1 . 1 82 82 LYS HA H 1 4.277 0.000 . 1 . . . . . 242 K HA . 52079 1 867 . 1 . 1 82 82 LYS HB2 H 1 1.754 0.000 . 2 . . . . . 242 K HB* . 52079 1 868 . 1 . 1 82 82 LYS HB3 H 1 1.754 0.000 . 2 . . . . . 242 K HB* . 52079 1 869 . 1 . 1 82 82 LYS HG2 H 1 1.350 0.000 . 4 . . . . . 242 K HG* . 52079 1 870 . 1 . 1 82 82 LYS HG3 H 1 1.350 0.000 . 2 . . . . . 242 K HG* . 52079 1 871 . 1 . 1 82 82 LYS HD2 H 1 1.603 0.000 . 4 . . . . . 242 K HD* . 52079 1 872 . 1 . 1 82 82 LYS HD3 H 1 1.603 0.000 . 2 . . . . . 242 K HD* . 52079 1 873 . 1 . 1 82 82 LYS HE2 H 1 2.881 0.000 . 2 . . . . . 242 K HE* . 52079 1 874 . 1 . 1 82 82 LYS HE3 H 1 2.881 0.000 . 2 . . . . . 242 K HE* . 52079 1 875 . 1 . 1 82 82 LYS C C 13 176.667 0.003 . 1 . . . . . 242 K C . 52079 1 876 . 1 . 1 82 82 LYS CA C 13 56.462 0.000 . 1 . . . . . 242 K CA . 52079 1 877 . 1 . 1 82 82 LYS CB C 13 33.029 0.000 . 1 . . . . . 242 K CB . 52079 1 878 . 1 . 1 82 82 LYS CG C 13 24.856 0.000 . 1 . . . . . 242 K CG . 52079 1 879 . 1 . 1 82 82 LYS CD C 13 28.886 0.000 . 1 . . . . . 242 K CD . 52079 1 880 . 1 . 1 82 82 LYS CE C 13 42.103 0.000 . 1 . . . . . 242 K CE . 52079 1 881 . 1 . 1 82 82 LYS N N 15 122.322 0.036 . 1 . . . . . 242 K N . 52079 1 882 . 1 . 1 83 83 THR H H 1 8.153 0.001 . 1 . . . . . 243 T H . 52079 1 883 . 1 . 1 83 83 THR HA H 1 4.235 0.000 . 1 . . . . . 243 T HA . 52079 1 884 . 1 . 1 83 83 THR HB H 1 4.080 0.000 . 1 . . . . . 243 T HB . 52079 1 885 . 1 . 1 83 83 THR HG21 H 1 1.092 0.000 . 1 . . . . . 243 T HG2* . 52079 1 886 . 1 . 1 83 83 THR HG22 H 1 1.092 0.000 . 1 . . . . . 243 T HG2* . 52079 1 887 . 1 . 1 83 83 THR HG23 H 1 1.092 0.000 . 1 . . . . . 243 T HG2* . 52079 1 888 . 1 . 1 83 83 THR C C 13 174.565 0.007 . 1 . . . . . 243 T C . 52079 1 889 . 1 . 1 83 83 THR CA C 13 52.795 0.000 . 1 . . . . . 243 T CA . 52079 1 890 . 1 . 1 83 83 THR CB C 13 69.782 0.000 . 1 . . . . . 243 T CB . 52079 1 891 . 1 . 1 83 83 THR CG2 C 13 21.613 0.000 . 1 . . . . . 243 T CG2 . 52079 1 892 . 1 . 1 83 83 THR N N 15 115.328 0.023 . 1 . . . . . 243 T N . 52079 1 893 . 1 . 1 84 84 ILE H H 1 8.162 0.013 . 1 . . . . . 244 I H . 52079 1 894 . 1 . 1 84 84 ILE HA H 1 4.071 0.000 . 1 . . . . . 244 I HA . 52079 1 895 . 1 . 1 84 84 ILE HB H 1 1.784 0.000 . 1 . . . . . 244 I HB . 52079 1 896 . 1 . 1 84 84 ILE HG12 H 1 1.093 0.000 . 2 . . . . . 244 I HG1* . 52079 1 897 . 1 . 1 84 84 ILE HG13 H 1 1.093 0.000 . 2 . . . . . 244 I HG1* . 52079 1 898 . 1 . 1 84 84 ILE HG21 H 1 1.396 0.000 . 1 . . . . . 244 I HG2* . 52079 1 899 . 1 . 1 84 84 ILE HG22 H 1 1.396 0.000 . 1 . . . . . 244 I HG2* . 52079 1 900 . 1 . 1 84 84 ILE HG23 H 1 1.396 0.000 . 1 . . . . . 244 I HG2* . 52079 1 901 . 1 . 1 84 84 ILE HD11 H 1 0.810 0.000 . 1 . . . . . 244 I HD1* . 52079 1 902 . 1 . 1 84 84 ILE HD12 H 1 0.810 0.000 . 1 . . . . . 244 I HD1* . 52079 1 903 . 1 . 1 84 84 ILE HD13 H 1 0.810 0.000 . 1 . . . . . 244 I HD1* . 52079 1 904 . 1 . 1 84 84 ILE C C 13 176.675 0.004 . 1 . . . . . 244 I C . 52079 1 905 . 1 . 1 84 84 ILE CA C 13 61.393 0.000 . 1 . . . . . 244 I CA . 52079 1 906 . 1 . 1 84 84 ILE CB C 13 38.639 0.000 . 1 . . . . . 244 I CB . 52079 1 907 . 1 . 1 84 84 ILE CG1 C 13 27.207 0.000 . 1 . . . . . 244 I CG1 . 52079 1 908 . 1 . 1 84 84 ILE CG2 C 13 17.439 0.000 . 1 . . . . . 244 I CG2 . 52079 1 909 . 1 . 1 84 84 ILE CD1 C 13 13.008 0.000 . 1 . . . . . 244 I CD1 . 52079 1 910 . 1 . 1 84 84 ILE N N 15 123.373 0.050 . 1 . . . . . 244 I N . 52079 1 911 . 1 . 1 85 85 GLY H H 1 8.450 0.004 . 1 . . . . . 245 G H . 52079 1 912 . 1 . 1 85 85 GLY HA2 H 1 3.846 0.000 . 2 . . . . . 245 G HA* . 52079 1 913 . 1 . 1 85 85 GLY HA3 H 1 3.846 0.000 . 2 . . . . . 245 G HA* . 52079 1 914 . 1 . 1 85 85 GLY C C 13 173.826 0.004 . 1 . . . . . 245 G C . 52079 1 915 . 1 . 1 85 85 GLY CA C 13 45.224 0.000 . 1 . . . . . 245 G CA . 52079 1 916 . 1 . 1 85 85 GLY N N 15 112.849 0.028 . 1 . . . . . 245 G N . 52079 1 917 . 1 . 1 86 86 LYS H H 1 8.091 0.001 . 1 . . . . . 246 K H . 52079 1 918 . 1 . 1 86 86 LYS HA H 1 4.224 0.000 . 1 . . . . . 246 K HA . 52079 1 919 . 1 . 1 86 86 LYS HB2 H 1 1.683 0.000 . 2 . . . . . 246 K HB* . 52079 1 920 . 1 . 1 86 86 LYS HB3 H 1 1.683 0.000 . 2 . . . . . 246 K HB* . 52079 1 921 . 1 . 1 86 86 LYS HG2 H 1 1.299 0.000 . 4 . . . . . 246 K HG* . 52079 1 922 . 1 . 1 86 86 LYS HG3 H 1 1.299 0.000 . 2 . . . . . 246 K HG* . 52079 1 923 . 1 . 1 86 86 LYS HD2 H 1 1.583 0.000 . 4 . . . . . 246 K HD* . 52079 1 924 . 1 . 1 86 86 LYS HD3 H 1 1.583 0.000 . 2 . . . . . 246 K HD* . 52079 1 925 . 1 . 1 86 86 LYS HE2 H 1 2.881 0.000 . 2 . . . . . 246 K HE* . 52079 1 926 . 1 . 1 86 86 LYS HE3 H 1 2.881 0.000 . 2 . . . . . 246 K HE* . 52079 1 927 . 1 . 1 86 86 LYS C C 13 176.270 0.003 . 1 . . . . . 246 K C . 52079 1 928 . 1 . 1 86 86 LYS CA C 13 56.159 0.000 . 1 . . . . . 246 K CA . 52079 1 929 . 1 . 1 86 86 LYS CB C 13 33.278 0.000 . 1 . . . . . 246 K CB . 52079 1 930 . 1 . 1 86 86 LYS CG C 13 24.655 0.000 . 1 . . . . . 246 K CG . 52079 1 931 . 1 . 1 86 86 LYS CD C 13 29.031 0.000 . 1 . . . . . 246 K CD . 52079 1 932 . 1 . 1 86 86 LYS CE C 13 42.122 0.000 . 1 . . . . . 246 K CE . 52079 1 933 . 1 . 1 86 86 LYS N N 15 120.948 0.050 . 1 . . . . . 246 K N . 52079 1 934 . 1 . 1 87 87 LYS H H 1 8.349 0.000 . 1 . . . . . 247 K H . 52079 1 935 . 1 . 1 87 87 LYS HA H 1 4.226 0.000 . 1 . . . . . 247 K HA . 52079 1 936 . 1 . 1 87 87 LYS HB2 H 1 1.686 0.000 . 2 . . . . . 247 K HB* . 52079 1 937 . 1 . 1 87 87 LYS HB3 H 1 1.686 0.000 . 2 . . . . . 247 K HB* . 52079 1 938 . 1 . 1 87 87 LYS HG2 H 1 1.314 0.000 . 4 . . . . . 247 K HG* . 52079 1 939 . 1 . 1 87 87 LYS HG3 H 1 1.314 0.000 . 2 . . . . . 247 K HG* . 52079 1 940 . 1 . 1 87 87 LYS HD2 H 1 1.604 0.000 . 4 . . . . . 247 K HD* . 52079 1 941 . 1 . 1 87 87 LYS HD3 H 1 1.604 0.000 . 2 . . . . . 247 K HD* . 52079 1 942 . 1 . 1 87 87 LYS HE2 H 1 2.885 0.000 . 2 . . . . . 247 K HE* . 52079 1 943 . 1 . 1 87 87 LYS HE3 H 1 2.885 0.000 . 2 . . . . . 247 K HE* . 52079 1 944 . 1 . 1 87 87 LYS C C 13 176.197 0.004 . 1 . . . . . 247 K C . 52079 1 945 . 1 . 1 87 87 LYS CA C 13 56.034 0.000 . 1 . . . . . 247 K CA . 52079 1 946 . 1 . 1 87 87 LYS CB C 13 32.996 0.000 . 1 . . . . . 247 K CB . 52079 1 947 . 1 . 1 87 87 LYS CG C 13 24.658 0.000 . 1 . . . . . 247 K CG . 52079 1 948 . 1 . 1 87 87 LYS CD C 13 29.012 0.000 . 1 . . . . . 247 K CD . 52079 1 949 . 1 . 1 87 87 LYS CE C 13 42.139 0.000 . 1 . . . . . 247 K CE . 52079 1 950 . 1 . 1 87 87 LYS N N 15 123.257 0.029 . 1 . . . . . 247 K N . 52079 1 951 . 1 . 1 88 88 LEU H H 1 8.374 0.001 . 1 . . . . . 248 L H . 52079 1 952 . 1 . 1 88 88 LEU HA H 1 4.514 0.000 . 1 . . . . . 248 L HA . 52079 1 953 . 1 . 1 88 88 LEU HB2 H 1 1.574 0.000 . 2 . . . . . 248 L HB* . 52079 1 954 . 1 . 1 88 88 LEU HB3 H 1 1.574 0.000 . 2 . . . . . 248 L HB* . 52079 1 955 . 1 . 1 88 88 LEU HG H 1 1.500 0.000 . 1 . . . . . 248 L HG . 52079 1 956 . 1 . 1 88 88 LEU HD11 H 1 0.837 0.000 . 2 . . . . . 248 L HD1* . 52079 1 957 . 1 . 1 88 88 LEU HD12 H 1 0.837 0.000 . 2 . . . . . 248 L HD1* . 52079 1 958 . 1 . 1 88 88 LEU HD13 H 1 0.837 0.000 . 2 . . . . . 248 L HD1* . 52079 1 959 . 1 . 1 88 88 LEU HD21 H 1 0.820 0.000 . 2 . . . . . 248 L HD2* . 52079 1 960 . 1 . 1 88 88 LEU HD22 H 1 0.820 0.000 . 2 . . . . . 248 L HD2* . 52079 1 961 . 1 . 1 88 88 LEU HD23 H 1 0.820 0.000 . 2 . . . . . 248 L HD2* . 52079 1 962 . 1 . 1 88 88 LEU C C 13 175.272 0.043 . 1 . . . . . 248 L C . 52079 1 963 . 1 . 1 88 88 LEU CA C 13 52.879 0.000 . 1 . . . . . 248 L CA . 52079 1 964 . 1 . 1 88 88 LEU CB C 13 42.186 0.000 . 1 . . . . . 248 L CB . 52079 1 965 . 1 . 1 88 88 LEU N N 15 125.782 0.014 . 1 . . . . . 248 L N . 52079 1 966 . 1 . 1 89 89 PRO HA H 1 4.324 0.000 . 1 . . . . . 249 P HA . 52079 1 967 . 1 . 1 89 89 PRO HB2 H 1 2.211 0.000 . 2 . . . . . 249 P HB* . 52079 1 968 . 1 . 1 89 89 PRO HB3 H 1 2.211 0.000 . 2 . . . . . 249 P HB* . 52079 1 969 . 1 . 1 89 89 PRO HG2 H 1 1.835 0.000 . 2 . . . . . 249 P HG* . 52079 1 970 . 1 . 1 89 89 PRO HG3 H 1 1.835 0.000 . 2 . . . . . 249 P HG* . 52079 1 971 . 1 . 1 89 89 PRO HD2 H 1 3.747 0.000 . 2 . . . . . 249 P HD2 . 52079 1 972 . 1 . 1 89 89 PRO HD3 H 1 3.542 0.000 . 2 . . . . . 249 P HD3 . 52079 1 973 . 1 . 1 89 89 PRO C C 13 176.581 0.006 . 1 . . . . . 249 P C . 52079 1 974 . 1 . 1 89 89 PRO CA C 13 62.898 0.000 . 1 . . . . . 249 P CA . 52079 1 975 . 1 . 1 89 89 PRO CB C 13 32.071 0.000 . 1 . . . . . 249 P CB . 52079 1 976 . 1 . 1 89 89 PRO CG C 13 27.452 0.000 . 1 . . . . . 249 P CG . 52079 1 977 . 1 . 1 89 89 PRO CD C 13 50.645 0.000 . 1 . . . . . 249 P CD . 52079 1 978 . 1 . 1 89 89 PRO N N 15 136.038 0.047 . 1 . . . . . 249 P N . 52079 1 979 . 1 . 1 90 90 ALA H H 1 8.422 0.000 . 1 . . . . . 250 A H . 52079 1 980 . 1 . 1 90 90 ALA HA H 1 4.277 0.000 . 1 . . . . . 250 A HA . 52079 1 981 . 1 . 1 90 90 ALA HB1 H 1 1.322 0.000 . 1 . . . . . 250 A HB* . 52079 1 982 . 1 . 1 90 90 ALA HB2 H 1 1.322 0.000 . 1 . . . . . 250 A HB* . 52079 1 983 . 1 . 1 90 90 ALA HB3 H 1 1.322 0.000 . 1 . . . . . 250 A HB* . 52079 1 984 . 1 . 1 90 90 ALA C C 13 178.070 0.004 . 1 . . . . . 250 A C . 52079 1 985 . 1 . 1 90 90 ALA CA C 13 52.795 0.000 . 1 . . . . . 250 A CA . 52079 1 986 . 1 . 1 90 90 ALA CB C 13 19.245 0.000 . 1 . . . . . 250 A CB . 52079 1 987 . 1 . 1 90 90 ALA N N 15 124.353 0.034 . 1 . . . . . 250 A N . 52079 1 988 . 1 . 1 91 91 THR H H 1 8.167 0.000 . 1 . . . . . 251 T H . 52079 1 989 . 1 . 1 91 91 THR HA H 1 4.302 0.000 . 1 . . . . . 251 T HA . 52079 1 990 . 1 . 1 91 91 THR HB H 1 4.150 0.000 . 1 . . . . . 251 T HB . 52079 1 991 . 1 . 1 91 91 THR HG21 H 1 1.121 0.000 . 1 . . . . . 251 T HG2* . 52079 1 992 . 1 . 1 91 91 THR HG22 H 1 1.121 0.000 . 1 . . . . . 251 T HG2* . 52079 1 993 . 1 . 1 91 91 THR HG23 H 1 1.121 0.000 . 1 . . . . . 251 T HG2* . 52079 1 994 . 1 . 1 91 91 THR C C 13 174.680 0.002 . 1 . . . . . 251 T C . 52079 1 995 . 1 . 1 91 91 THR CA C 13 64.422 0.000 . 1 . . . . . 251 T CA . 52079 1 996 . 1 . 1 91 91 THR CB C 13 69.644 0.000 . 1 . . . . . 251 T CB . 52079 1 997 . 1 . 1 91 91 THR CG2 C 13 21.526 0.000 . 1 . . . . . 251 T CG2 . 52079 1 998 . 1 . 1 91 91 THR N N 15 113.225 0.024 . 1 . . . . . 251 T N . 52079 1 999 . 1 . 1 92 92 THR H H 1 8.112 0.001 . 1 . . . . . 252 T H . 52079 1 1000 . 1 . 1 92 92 THR HA H 1 4.255 0.000 . 1 . . . . . 252 T HA . 52079 1 1001 . 1 . 1 92 92 THR HB H 1 4.111 0.000 . 1 . . . . . 252 T HB . 52079 1 1002 . 1 . 1 92 92 THR HG21 H 1 1.115 0.000 . 1 . . . . . 252 T HG2* . 52079 1 1003 . 1 . 1 92 92 THR HG22 H 1 1.115 0.000 . 1 . . . . . 252 T HG2* . 52079 1 1004 . 1 . 1 92 92 THR HG23 H 1 1.115 0.000 . 1 . . . . . 252 T HG2* . 52079 1 1005 . 1 . 1 92 92 THR C C 13 174.039 0.003 . 1 . . . . . 252 T C . 52079 1 1006 . 1 . 1 92 92 THR CA C 13 61.704 0.000 . 1 . . . . . 252 T CA . 52079 1 1007 . 1 . 1 92 92 THR CB C 13 69.871 0.000 . 1 . . . . . 252 T CB . 52079 1 1008 . 1 . 1 92 92 THR CG2 C 13 21.551 0.000 . 1 . . . . . 252 T CG2 . 52079 1 1009 . 1 . 1 92 92 THR N N 15 116.279 0.035 . 1 . . . . . 252 T N . 52079 1 1010 . 1 . 1 93 93 ALA H H 1 8.341 0.001 . 1 . . . . . 253 A H . 52079 1 1011 . 1 . 1 93 93 ALA HA H 1 4.307 0.000 . 1 . . . . . 253 A HA . 52079 1 1012 . 1 . 1 93 93 ALA HB1 H 1 1.291 0.000 . 1 . . . . . 253 A HB* . 52079 1 1013 . 1 . 1 93 93 ALA HB2 H 1 1.291 0.000 . 1 . . . . . 253 A HB* . 52079 1 1014 . 1 . 1 93 93 ALA HB3 H 1 1.291 0.000 . 1 . . . . . 253 A HB* . 52079 1 1015 . 1 . 1 93 93 ALA C C 13 177.496 0.004 . 1 . . . . . 253 A C . 52079 1 1016 . 1 . 1 93 93 ALA CA C 13 52.631 0.000 . 1 . . . . . 253 A CA . 52079 1 1017 . 1 . 1 93 93 ALA CB C 13 19.355 0.000 . 1 . . . . . 253 A CB . 52079 1 1018 . 1 . 1 93 93 ALA N N 15 126.857 0.010 . 1 . . . . . 253 A N . 52079 1 1019 . 1 . 1 94 94 THR H H 1 8.250 0.000 . 1 . . . . . 254 T H . 52079 1 1020 . 1 . 1 94 94 THR HA H 1 4.504 0.000 . 1 . . . . . 254 T HA . 52079 1 1021 . 1 . 1 94 94 THR HG21 H 1 1.158 0.000 . 1 . . . . . 254 T HG2* . 52079 1 1022 . 1 . 1 94 94 THR HG22 H 1 1.158 0.000 . 1 . . . . . 254 T HG2* . 52079 1 1023 . 1 . 1 94 94 THR HG23 H 1 1.158 0.000 . 1 . . . . . 254 T HG2* . 52079 1 1024 . 1 . 1 94 94 THR C C 13 173.162 0.003 . 1 . . . . . 254 T C . 52079 1 1025 . 1 . 1 94 94 THR CA C 13 59.690 0.000 . 1 . . . . . 254 T CA . 52079 1 1026 . 1 . 1 94 94 THR CB C 13 69.728 0.000 . 1 . . . . . 254 T CB . 52079 1 1027 . 1 . 1 94 94 THR CG2 C 13 21.522 0.000 . 1 . . . . . 254 T CG2 . 52079 1 1028 . 1 . 1 94 94 THR N N 15 116.188 0.009 . 1 . . . . . 254 T N . 52079 1 1029 . 1 . 1 95 95 PRO HA H 1 4.333 0.000 . 1 . . . . . 255 P HA . 52079 1 1030 . 1 . 1 95 95 PRO HB2 H 1 2.211 0.000 . 2 . . . . . 255 P HB* . 52079 1 1031 . 1 . 1 95 95 PRO HB3 H 1 2.211 0.000 . 2 . . . . . 255 P HB* . 52079 1 1032 . 1 . 1 95 95 PRO HG2 H 1 1.889 0.000 . 2 . . . . . 255 P HG* . 52079 1 1033 . 1 . 1 95 95 PRO HG3 H 1 1.889 0.000 . 2 . . . . . 255 P HG* . 52079 1 1034 . 1 . 1 95 95 PRO HD2 H 1 3.743 0.000 . 2 . . . . . 255 P HD2 . 52079 1 1035 . 1 . 1 95 95 PRO HD3 H 1 3.626 0.000 . 2 . . . . . 255 P HD3 . 52079 1 1036 . 1 . 1 95 95 PRO C C 13 176.769 0.004 . 1 . . . . . 255 P C . 52079 1 1037 . 1 . 1 95 95 PRO CA C 13 63.490 0.000 . 1 . . . . . 255 P CA . 52079 1 1038 . 1 . 1 95 95 PRO CB C 13 32.052 0.000 . 1 . . . . . 255 P CB . 52079 1 1039 . 1 . 1 95 95 PRO CG C 13 27.405 0.000 . 1 . . . . . 255 P CG . 52079 1 1040 . 1 . 1 95 95 PRO CD C 13 51.136 0.000 . 1 . . . . . 255 P CD . 52079 1 1041 . 1 . 1 95 95 PRO N N 15 138.866 0.008 . 1 . . . . . 255 P N . 52079 1 1042 . 1 . 1 96 96 ASP H H 1 8.434 0.004 . 1 . . . . . 256 D H . 52079 1 1043 . 1 . 1 96 96 ASP HA H 1 4.499 0.000 . 1 . . . . . 256 D HA . 52079 1 1044 . 1 . 1 96 96 ASP HB2 H 1 2.604 0.000 . 2 . . . . . 256 D HB* . 52079 1 1045 . 1 . 1 96 96 ASP HB3 H 1 2.604 0.000 . 2 . . . . . 256 D HB* . 52079 1 1046 . 1 . 1 96 96 ASP C C 13 176.751 0.004 . 1 . . . . . 256 D C . 52079 1 1047 . 1 . 1 96 96 ASP CA C 13 54.544 0.000 . 1 . . . . . 256 D CA . 52079 1 1048 . 1 . 1 96 96 ASP CB C 13 41.136 0.000 . 1 . . . . . 256 D CB . 52079 1 1049 . 1 . 1 96 96 ASP N N 15 120.521 0.021 . 1 . . . . . 256 D N . 52079 1 1050 . 1 . 1 97 97 SER H H 1 8.348 0.000 . 1 . . . . . 257 S H . 52079 1 1051 . 1 . 1 97 97 SER HA H 1 4.346 0.000 . 1 . . . . . 257 S HA . 52079 1 1052 . 1 . 1 97 97 SER C C 13 174.980 0.006 . 1 . . . . . 257 S C . 52079 1 1053 . 1 . 1 97 97 SER CA C 13 58.910 0.000 . 1 . . . . . 257 S CA . 52079 1 1054 . 1 . 1 97 97 SER CB C 13 63.990 0.000 . 1 . . . . . 257 S CB . 52079 1 1055 . 1 . 1 97 97 SER N N 15 117.213 0.039 . 1 . . . . . 257 S N . 52079 1 1056 . 1 . 1 98 98 SER H H 1 8.403 0.001 . 1 . . . . . 258 S H . 52079 1 1057 . 1 . 1 98 98 SER HA H 1 4.364 0.000 . 1 . . . . . 258 S HA . 52079 1 1058 . 1 . 1 98 98 SER HB2 H 1 3.806 0.000 . 2 . . . . . 258 S HB* . 52079 1 1059 . 1 . 1 98 98 SER HB3 H 1 3.806 0.000 . 2 . . . . . 258 S HB* . 52079 1 1060 . 1 . 1 98 98 SER C C 13 174.775 0.009 . 1 . . . . . 258 S C . 52079 1 1061 . 1 . 1 98 98 SER CA C 13 59.215 0.000 . 1 . . . . . 258 S CA . 52079 1 1062 . 1 . 1 98 98 SER CB C 13 63.979 0.000 . 1 . . . . . 258 S CB . 52079 1 1063 . 1 . 1 98 98 SER N N 15 117.968 0.061 . 1 . . . . . 258 S N . 52079 1 1064 . 1 . 1 99 99 LYS H H 1 8.168 0.000 . 1 . . . . . 259 K H . 52079 1 1065 . 1 . 1 99 99 LYS HA H 1 4.309 0.000 . 1 . . . . . 259 K HA . 52079 1 1066 . 1 . 1 99 99 LYS HB2 H 1 1.787 0.000 . 2 . . . . . 259 K HB* . 52079 1 1067 . 1 . 1 99 99 LYS HB3 H 1 1.787 0.000 . 2 . . . . . 259 K HB* . 52079 1 1068 . 1 . 1 99 99 LYS HG2 H 1 1.346 0.000 . 4 . . . . . 259 K HG* . 52079 1 1069 . 1 . 1 99 99 LYS HG3 H 1 1.346 0.000 . 2 . . . . . 259 K HG* . 52079 1 1070 . 1 . 1 99 99 LYS HD2 H 1 1.614 0.000 . 4 . . . . . 259 K HD* . 52079 1 1071 . 1 . 1 99 99 LYS HD3 H 1 1.614 0.000 . 2 . . . . . 259 K HD* . 52079 1 1072 . 1 . 1 99 99 LYS HE2 H 1 2.909 0.000 . 2 . . . . . 259 K HE* . 52079 1 1073 . 1 . 1 99 99 LYS HE3 H 1 2.909 0.000 . 2 . . . . . 259 K HE* . 52079 1 1074 . 1 . 1 99 99 LYS C C 13 176.878 0.004 . 1 . . . . . 259 K C . 52079 1 1075 . 1 . 1 99 99 LYS CA C 13 56.600 0.000 . 1 . . . . . 259 K CA . 52079 1 1076 . 1 . 1 99 99 LYS CB C 13 32.874 0.000 . 1 . . . . . 259 K CB . 52079 1 1077 . 1 . 1 99 99 LYS CG C 13 24.674 0.000 . 1 . . . . . 259 K CG . 52079 1 1078 . 1 . 1 99 99 LYS CD C 13 28.921 0.000 . 1 . . . . . 259 K CD . 52079 1 1079 . 1 . 1 99 99 LYS CE C 13 42.187 0.000 . 1 . . . . . 259 K CE . 52079 1 1080 . 1 . 1 99 99 LYS N N 15 122.828 0.040 . 1 . . . . . 259 K N . 52079 1 1081 . 1 . 1 100 100 THR H H 1 8.132 0.004 . 1 . . . . . 260 T H . 52079 1 1082 . 1 . 1 100 100 THR HA H 1 4.213 0.000 . 1 . . . . . 260 T HA . 52079 1 1083 . 1 . 1 100 100 THR HG21 H 1 1.115 0.000 . 1 . . . . . 260 T HG2* . 52079 1 1084 . 1 . 1 100 100 THR HG22 H 1 1.115 0.000 . 1 . . . . . 260 T HG2* . 52079 1 1085 . 1 . 1 100 100 THR HG23 H 1 1.115 0.000 . 1 . . . . . 260 T HG2* . 52079 1 1086 . 1 . 1 100 100 THR C C 13 174.915 0.005 . 1 . . . . . 260 T C . 52079 1 1087 . 1 . 1 100 100 THR CA C 13 62.305 0.000 . 1 . . . . . 260 T CA . 52079 1 1088 . 1 . 1 100 100 THR CB C 13 69.893 0.000 . 1 . . . . . 260 T CB . 52079 1 1089 . 1 . 1 100 100 THR CG2 C 13 21.629 0.000 . 1 . . . . . 260 T CG2 . 52079 1 1090 . 1 . 1 100 100 THR N N 15 114.868 0.017 . 1 . . . . . 260 T N . 52079 1 1091 . 1 . 1 101 101 GLU H H 1 8.418 0.000 . 1 . . . . . 261 E H . 52079 1 1092 . 1 . 1 101 101 GLU HA H 1 4.225 0.000 . 1 . . . . . 261 E HA . 52079 1 1093 . 1 . 1 101 101 GLU HB2 H 1 1.916 0.000 . 2 . . . . . 261 E HB* . 52079 1 1094 . 1 . 1 101 101 GLU HB3 H 1 1.916 0.000 . 2 . . . . . 261 E HB* . 52079 1 1095 . 1 . 1 101 101 GLU HG2 H 1 2.184 0.000 . 2 . . . . . 261 E HG* . 52079 1 1096 . 1 . 1 101 101 GLU HG3 H 1 2.184 0.000 . 2 . . . . . 261 E HG* . 52079 1 1097 . 1 . 1 101 101 GLU C C 13 176.790 0.004 . 1 . . . . . 261 E C . 52079 1 1098 . 1 . 1 101 101 GLU CA C 13 56.892 0.000 . 1 . . . . . 261 E CA . 52079 1 1099 . 1 . 1 101 101 GLU CB C 13 30.046 0.000 . 1 . . . . . 261 E CB . 52079 1 1100 . 1 . 1 101 101 GLU CG C 13 36.068 0.000 . 1 . . . . . 261 E CG . 52079 1 1101 . 1 . 1 101 101 GLU N N 15 123.132 0.025 . 1 . . . . . 261 E N . 52079 1 1102 . 1 . 1 102 102 MET H H 1 8.359 0.000 . 1 . . . . . 262 M H . 52079 1 1103 . 1 . 1 102 102 MET HA H 1 4.311 0.000 . 1 . . . . . 262 M HA . 52079 1 1104 . 1 . 1 102 102 MET HB2 H 1 1.964 0.000 . 2 . . . . . 262 M QB . 52079 1 1105 . 1 . 1 102 102 MET HB3 H 1 1.964 0.000 . 2 . . . . . 262 M QB . 52079 1 1106 . 1 . 1 102 102 MET HG2 H 1 2.480 0.000 . 2 . . . . . 262 M HG* . 52079 1 1107 . 1 . 1 102 102 MET HG3 H 1 2.480 0.000 . 2 . . . . . 262 M HG* . 52079 1 1108 . 1 . 1 102 102 MET C C 13 176.363 0.004 . 1 . . . . . 262 M C . 52079 1 1109 . 1 . 1 102 102 MET CA C 13 56.071 0.000 . 1 . . . . . 262 M CA . 52079 1 1110 . 1 . 1 102 102 MET CB C 13 32.453 0.000 . 1 . . . . . 262 M CB . 52079 1 1111 . 1 . 1 102 102 MET CG C 13 32.413 0.000 . 1 . . . . . 262 M CG . 52079 1 1112 . 1 . 1 102 102 MET N N 15 121.016 0.036 . 1 . . . . . 262 M N . 52079 1 1113 . 1 . 1 103 103 ASP H H 1 8.355 0.001 . 1 . . . . . 263 D H . 52079 1 1114 . 1 . 1 103 103 ASP HA H 1 4.513 0.000 . 1 . . . . . 263 D HA . 52079 1 1115 . 1 . 1 103 103 ASP HB2 H 1 2.630 0.000 . 2 . . . . . 263 D HB* . 52079 1 1116 . 1 . 1 103 103 ASP HB3 H 1 2.630 0.000 . 2 . . . . . 263 D HB* . 52079 1 1117 . 1 . 1 103 103 ASP C C 13 176.639 0.003 . 1 . . . . . 263 D C . 52079 1 1118 . 1 . 1 103 103 ASP CA C 13 54.686 0.000 . 1 . . . . . 263 D CA . 52079 1 1119 . 1 . 1 103 103 ASP CB C 13 41.181 0.000 . 1 . . . . . 263 D CB . 52079 1 1120 . 1 . 1 103 103 ASP N N 15 121.556 0.042 . 1 . . . . . 263 D N . 52079 1 1121 . 1 . 1 104 104 SER H H 1 8.284 0.001 . 1 . . . . . 264 S H . 52079 1 1122 . 1 . 1 104 104 SER HA H 1 4.303 0.000 . 1 . . . . . 264 S HA . 52079 1 1123 . 1 . 1 104 104 SER C C 13 175.026 0.004 . 1 . . . . . 264 S C . 52079 1 1124 . 1 . 1 104 104 SER CA C 13 58.963 0.000 . 1 . . . . . 264 S CA . 52079 1 1125 . 1 . 1 104 104 SER CB C 13 63.859 0.000 . 1 . . . . . 264 S CB . 52079 1 1126 . 1 . 1 104 104 SER N N 15 116.745 0.013 . 1 . . . . . 264 S N . 52079 1 1127 . 1 . 1 105 105 ARG H H 1 8.281 0.005 . 1 . . . . . 265 R H . 52079 1 1128 . 1 . 1 105 105 ARG HA H 1 4.272 0.000 . 1 . . . . . 265 R HA . 52079 1 1129 . 1 . 1 105 105 ARG HB2 H 1 1.788 0.000 . 2 . . . . . 265 R HB* . 52079 1 1130 . 1 . 1 105 105 ARG HB3 H 1 1.788 0.000 . 2 . . . . . 265 R HB* . 52079 1 1131 . 1 . 1 105 105 ARG HG2 H 1 1.345 0.000 . 2 . . . . . 265 R HG* . 52079 1 1132 . 1 . 1 105 105 ARG HG3 H 1 1.345 0.000 . 2 . . . . . 265 R HG* . 52079 1 1133 . 1 . 1 105 105 ARG HD2 H 1 3.101 0.000 . 2 . . . . . 265 R HD* . 52079 1 1134 . 1 . 1 105 105 ARG HD3 H 1 3.101 0.000 . 2 . . . . . 265 R HD* . 52079 1 1135 . 1 . 1 105 105 ARG HE H 1 7.400 0.000 . 1 . . . . . 265 R HE . 52079 1 1136 . 1 . 1 105 105 ARG C C 13 176.843 0.005 . 1 . . . . . 265 R C . 52079 1 1137 . 1 . 1 105 105 ARG CA C 13 56.639 0.000 . 1 . . . . . 265 R CA . 52079 1 1138 . 1 . 1 105 105 ARG CB C 13 30.542 0.000 . 1 . . . . . 265 R CB . 52079 1 1139 . 1 . 1 105 105 ARG CG C 13 27.218 0.000 . 1 . . . . . 265 R CG . 52079 1 1140 . 1 . 1 105 105 ARG CD C 13 43.373 0.000 . 1 . . . . . 265 R CD . 52079 1 1141 . 1 . 1 105 105 ARG N N 15 122.289 0.028 . 1 . . . . . 265 R N . 52079 1 1142 . 1 . 1 105 105 ARG NE N 15 84.898 0.000 . 1 . . . . . 265 R NE . 52079 1 1143 . 1 . 1 106 106 THR H H 1 8.111 0.004 . 1 . . . . . 266 T H . 52079 1 1144 . 1 . 1 106 106 THR HA H 1 4.195 0.000 . 1 . . . . . 266 T HA . 52079 1 1145 . 1 . 1 106 106 THR HG21 H 1 1.134 0.000 . 1 . . . . . 266 T HG2* . 52079 1 1146 . 1 . 1 106 106 THR HG22 H 1 1.134 0.000 . 1 . . . . . 266 T HG2* . 52079 1 1147 . 1 . 1 106 106 THR HG23 H 1 1.134 0.000 . 1 . . . . . 266 T HG2* . 52079 1 1148 . 1 . 1 106 106 THR C C 13 174.472 0.003 . 1 . . . . . 266 T C . 52079 1 1149 . 1 . 1 106 106 THR CA C 13 62.204 0.000 . 1 . . . . . 266 T CA . 52079 1 1150 . 1 . 1 106 106 THR CB C 13 69.659 0.000 . 1 . . . . . 266 T CB . 52079 1 1151 . 1 . 1 106 106 THR CG2 C 13 21.598 0.000 . 1 . . . . . 266 T CG2 . 52079 1 1152 . 1 . 1 106 106 THR N N 15 114.712 0.015 . 1 . . . . . 266 T N . 52079 1 1153 . 1 . 1 107 107 LYS H H 1 8.250 0.001 . 1 . . . . . 267 K H . 52079 1 1154 . 1 . 1 107 107 LYS HA H 1 4.322 0.000 . 1 . . . . . 267 K HA . 52079 1 1155 . 1 . 1 107 107 LYS HB2 H 1 1.790 0.000 . 2 . . . . . 267 K HB* . 52079 1 1156 . 1 . 1 107 107 LYS HB3 H 1 1.790 0.000 . 2 . . . . . 267 K HB* . 52079 1 1157 . 1 . 1 107 107 LYS HG2 H 1 1.386 0.000 . 4 . . . . . 267 K HG* . 52079 1 1158 . 1 . 1 107 107 LYS HG3 H 1 1.386 0.000 . 2 . . . . . 267 K HG* . 52079 1 1159 . 1 . 1 107 107 LYS HD2 H 1 1.637 0.000 . 4 . . . . . 267 K HD* . 52079 1 1160 . 1 . 1 107 107 LYS HD3 H 1 1.637 0.000 . 2 . . . . . 267 K HD* . 52079 1 1161 . 1 . 1 107 107 LYS HE2 H 1 2.916 0.000 . 2 . . . . . 267 K HE* . 52079 1 1162 . 1 . 1 107 107 LYS HE3 H 1 2.916 0.000 . 2 . . . . . 267 K HE* . 52079 1 1163 . 1 . 1 107 107 LYS C C 13 176.414 0.002 . 1 . . . . . 267 K C . 52079 1 1164 . 1 . 1 107 107 LYS CA C 13 56.257 0.000 . 1 . . . . . 267 K CA . 52079 1 1165 . 1 . 1 107 107 LYS CB C 13 33.079 0.000 . 1 . . . . . 267 K CB . 52079 1 1166 . 1 . 1 107 107 LYS CG C 13 24.572 0.000 . 1 . . . . . 267 K CG . 52079 1 1167 . 1 . 1 107 107 LYS CD C 13 29.026 0.000 . 1 . . . . . 267 K CD . 52079 1 1168 . 1 . 1 107 107 LYS CE C 13 42.166 0.000 . 1 . . . . . 267 K CE . 52079 1 1169 . 1 . 1 107 107 LYS N N 15 124.099 0.015 . 1 . . . . . 267 K N . 52079 1 1170 . 1 . 1 108 108 SER H H 1 8.338 0.000 . 1 . . . . . 268 S H . 52079 1 1171 . 1 . 1 108 108 SER N N 15 118.051 0.036 . 1 . . . . . 268 S N . 52079 1 1172 . 1 . 1 110 110 ASP HA H 1 4.785 0.000 . 1 . . . . . 270 D HA . 52079 1 1173 . 1 . 1 110 110 ASP C C 13 174.015 0.007 . 1 . . . . . 270 D C . 52079 1 1174 . 1 . 1 110 110 ASP CA C 13 53.211 0.000 . 1 . . . . . 270 D CA . 52079 1 1175 . 1 . 1 110 110 ASP CB C 13 43.717 0.000 . 1 . . . . . 270 D CB . 52079 1 1176 . 1 . 1 111 111 TYR H H 1 8.950 0.002 . 1 . . . . . 271 Y H . 52079 1 1177 . 1 . 1 111 111 TYR C C 13 175.037 0.003 . 1 . . . . . 271 Y C . 52079 1 1178 . 1 . 1 111 111 TYR N N 15 118.650 0.030 . 1 . . . . . 271 Y N . 52079 1 1179 . 1 . 1 112 112 CYS H H 1 9.278 0.002 . 1 . . . . . 272 C H . 52079 1 1180 . 1 . 1 112 112 CYS C C 13 171.471 0.005 . 1 . . . . . 272 C C . 52079 1 1181 . 1 . 1 112 112 CYS CA C 13 55.317 0.000 . 1 . . . . . 272 C CA . 52079 1 1182 . 1 . 1 112 112 CYS CB C 13 32.096 0.000 . 1 . . . . . 272 C CB . 52079 1 1183 . 1 . 1 112 112 CYS N N 15 114.792 0.015 . 1 . . . . . 272 C N . 52079 1 1184 . 1 . 1 113 113 LYS H H 1 9.117 0.002 . 1 . . . . . 273 K H . 52079 1 1185 . 1 . 1 113 113 LYS C C 13 175.825 0.013 . 1 . . . . . 273 K C . 52079 1 1186 . 1 . 1 113 113 LYS N N 15 123.101 0.043 . 1 . . . . . 273 K N . 52079 1 1187 . 1 . 1 114 114 VAL H H 1 8.974 0.001 . 1 . . . . . 274 V H . 52079 1 1188 . 1 . 1 114 114 VAL C C 13 176.647 0.004 . 1 . . . . . 274 V C . 52079 1 1189 . 1 . 1 114 114 VAL N N 15 127.437 0.016 . 1 . . . . . 274 V N . 52079 1 1190 . 1 . 1 115 115 ILE H H 1 9.041 0.003 . 1 . . . . . 275 I H . 52079 1 1191 . 1 . 1 115 115 ILE C C 13 174.473 0.001 . 1 . . . . . 275 I C . 52079 1 1192 . 1 . 1 115 115 ILE N N 15 126.887 0.015 . 1 . . . . . 275 I N . 52079 1 1193 . 1 . 1 116 116 PHE H H 1 7.723 0.002 . 1 . . . . . 276 F H . 52079 1 1194 . 1 . 1 116 116 PHE N N 15 121.797 0.022 . 1 . . . . . 276 F N . 52079 1 1195 . 1 . 1 117 117 PRO C C 13 175.762 0.003 . 1 . . . . . 277 P C . 52079 1 1196 . 1 . 1 118 118 TYR H H 1 8.530 0.003 . 1 . . . . . 278 Y H . 52079 1 1197 . 1 . 1 118 118 TYR C C 13 172.903 0.001 . 1 . . . . . 278 Y C . 52079 1 1198 . 1 . 1 118 118 TYR N N 15 118.324 0.023 . 1 . . . . . 278 Y N . 52079 1 1199 . 1 . 1 119 119 GLU H H 1 7.466 0.001 . 1 . . . . . 279 E H . 52079 1 1200 . 1 . 1 119 119 GLU C C 13 176.200 0.000 . 1 . . . . . 279 E C . 52079 1 1201 . 1 . 1 119 119 GLU N N 15 127.466 0.009 . 1 . . . . . 279 E N . 52079 1 1202 . 1 . 1 120 120 ALA H H 1 8.370 0.000 . 1 . . . . . 280 A H . 52079 1 1203 . 1 . 1 120 120 ALA C C 13 179.173 0.004 . 1 . . . . . 280 A C . 52079 1 1204 . 1 . 1 120 120 ALA N N 15 126.856 0.015 . 1 . . . . . 280 A N . 52079 1 1205 . 1 . 1 121 121 GLN H H 1 9.284 0.003 . 1 . . . . . 281 Q H . 52079 1 1206 . 1 . 1 121 121 GLN C C 13 175.398 0.001 . 1 . . . . . 281 Q C . 52079 1 1207 . 1 . 1 121 121 GLN N N 15 120.242 0.015 . 1 . . . . . 281 Q N . 52079 1 1208 . 1 . 1 122 122 ASN H H 1 7.502 0.002 . 1 . . . . . 282 N H . 52079 1 1209 . 1 . 1 122 122 ASN C C 13 175.803 0.003 . 1 . . . . . 282 N C . 52079 1 1210 . 1 . 1 122 122 ASN N N 15 112.913 0.005 . 1 . . . . . 282 N N . 52079 1 1211 . 1 . 1 123 123 ASP H H 1 8.689 0.001 . 1 . . . . . 283 D H . 52079 1 1212 . 1 . 1 123 123 ASP C C 13 175.959 0.001 . 1 . . . . . 283 D C . 52079 1 1213 . 1 . 1 123 123 ASP N N 15 118.022 0.009 . 1 . . . . . 283 D N . 52079 1 1214 . 1 . 1 124 124 ASP H H 1 8.598 0.001 . 1 . . . . . 284 D H . 52079 1 1215 . 1 . 1 124 124 ASP C C 13 176.099 0.008 . 1 . . . . . 284 D C . 52079 1 1216 . 1 . 1 124 124 ASP N N 15 117.023 0.011 . 1 . . . . . 284 D N . 52079 1 1217 . 1 . 1 125 125 GLU H H 1 7.517 0.002 . 1 . . . . . 285 E H . 52079 1 1218 . 1 . 1 125 125 GLU C C 13 174.794 0.001 . 1 . . . . . 285 E C . 52079 1 1219 . 1 . 1 125 125 GLU N N 15 119.526 0.016 . 1 . . . . . 285 E N . 52079 1 1220 . 1 . 1 126 126 LEU H H 1 8.905 0.001 . 1 . . . . . 286 L H . 52079 1 1221 . 1 . 1 126 126 LEU N N 15 123.676 0.062 . 1 . . . . . 286 L N . 52079 1 1222 . 1 . 1 127 127 THR C C 13 175.298 0.001 . 1 . . . . . 287 T C . 52079 1 1223 . 1 . 1 128 128 ILE H H 1 9.286 0.002 . 1 . . . . . 288 I H . 52079 1 1224 . 1 . 1 128 128 ILE C C 13 174.216 0.002 . 1 . . . . . 288 I C . 52079 1 1225 . 1 . 1 128 128 ILE N N 15 122.037 0.028 . 1 . . . . . 288 I N . 52079 1 1226 . 1 . 1 129 129 LYS H H 1 9.192 0.002 . 1 . . . . . 289 K H . 52079 1 1227 . 1 . 1 129 129 LYS C C 13 175.105 0.002 . 1 . . . . . 289 K C . 52079 1 1228 . 1 . 1 129 129 LYS N N 15 124.189 0.009 . 1 . . . . . 289 K N . 52079 1 1229 . 1 . 1 130 130 GLU H H 1 8.818 0.001 . 1 . . . . . 290 E H . 52079 1 1230 . 1 . 1 130 130 GLU C C 13 177.294 0.002 . 1 . . . . . 290 E C . 52079 1 1231 . 1 . 1 130 130 GLU N N 15 120.619 0.009 . 1 . . . . . 290 E N . 52079 1 1232 . 1 . 1 131 131 GLY H H 1 8.688 0.000 . 1 . . . . . 291 G H . 52079 1 1233 . 1 . 1 131 131 GLY N N 15 113.867 0.008 . 1 . . . . . 291 G N . 52079 1 1234 . 1 . 1 132 132 ASP C C 13 175.135 0.006 . 1 . . . . . 292 D C . 52079 1 1235 . 1 . 1 133 133 ILE H H 1 8.363 0.010 . 1 . . . . . 293 I H . 52079 1 1236 . 1 . 1 133 133 ILE C C 13 175.800 0.001 . 1 . . . . . 293 I C . 52079 1 1237 . 1 . 1 133 133 ILE N N 15 120.289 0.034 . 1 . . . . . 293 I N . 52079 1 1238 . 1 . 1 134 134 VAL H H 1 8.970 0.002 . 1 . . . . . 294 V H . 52079 1 1239 . 1 . 1 134 134 VAL C C 13 176.085 0.010 . 1 . . . . . 294 V C . 52079 1 1240 . 1 . 1 134 134 VAL N N 15 129.007 0.010 . 1 . . . . . 294 V N . 52079 1 1241 . 1 . 1 135 135 THR H H 1 8.995 0.002 . 1 . . . . . 295 T H . 52079 1 1242 . 1 . 1 135 135 THR C C 13 173.971 0.002 . 1 . . . . . 295 T C . 52079 1 1243 . 1 . 1 135 135 THR N N 15 124.697 0.015 . 1 . . . . . 295 T N . 52079 1 1244 . 1 . 1 136 136 LEU H H 1 8.895 0.000 . 1 . . . . . 296 L H . 52079 1 1245 . 1 . 1 136 136 LEU C C 13 175.694 0.001 . 1 . . . . . 296 L C . 52079 1 1246 . 1 . 1 136 136 LEU N N 15 130.448 0.008 . 1 . . . . . 296 L N . 52079 1 1247 . 1 . 1 137 137 ILE H H 1 8.954 0.001 . 1 . . . . . 297 I H . 52079 1 1248 . 1 . 1 137 137 ILE C C 13 175.834 0.000 . 1 . . . . . 297 I C . 52079 1 1249 . 1 . 1 137 137 ILE N N 15 125.440 0.010 . 1 . . . . . 297 I N . 52079 1 1250 . 1 . 1 138 138 ASN H H 1 7.811 0.002 . 1 . . . . . 298 N H . 52079 1 1251 . 1 . 1 138 138 ASN C C 13 173.501 0.006 . 1 . . . . . 298 N C . 52079 1 1252 . 1 . 1 138 138 ASN N N 15 116.088 0.006 . 1 . . . . . 298 N N . 52079 1 1253 . 1 . 1 139 139 LYS H H 1 8.626 0.002 . 1 . . . . . 299 K H . 52079 1 1254 . 1 . 1 139 139 LYS C C 13 175.697 0.001 . 1 . . . . . 299 K C . 52079 1 1255 . 1 . 1 139 139 LYS N N 15 123.522 0.013 . 1 . . . . . 299 K N . 52079 1 1256 . 1 . 1 140 140 ASP H H 1 7.988 0.002 . 1 . . . . . 300 D H . 52079 1 1257 . 1 . 1 140 140 ASP C C 13 175.638 0.003 . 1 . . . . . 300 D C . 52079 1 1258 . 1 . 1 140 140 ASP N N 15 121.235 0.023 . 1 . . . . . 300 D N . 52079 1 1259 . 1 . 1 141 141 CYS H H 1 7.977 0.003 . 1 . . . . . 301 C H . 52079 1 1260 . 1 . 1 141 141 CYS N N 15 120.384 0.024 . 1 . . . . . 301 C N . 52079 1 1261 . 1 . 1 142 142 ILE H H 1 8.255 0.000 . 1 . . . . . 302 I H . 52079 1 1262 . 1 . 1 142 142 ILE C C 13 175.882 0.000 . 1 . . . . . 302 I C . 52079 1 1263 . 1 . 1 142 142 ILE N N 15 121.353 0.000 . 1 . . . . . 302 I N . 52079 1 1264 . 1 . 1 143 143 ASP H H 1 7.612 0.002 . 1 . . . . . 303 D H . 52079 1 1265 . 1 . 1 143 143 ASP N N 15 119.644 0.010 . 1 . . . . . 303 D N . 52079 1 1266 . 1 . 1 144 144 VAL C C 13 177.227 0.002 . 1 . . . . . 304 V C . 52079 1 1267 . 1 . 1 145 145 GLY H H 1 8.730 0.003 . 1 . . . . . 305 G H . 52079 1 1268 . 1 . 1 145 145 GLY C C 13 173.689 0.001 . 1 . . . . . 305 G C . 52079 1 1269 . 1 . 1 145 145 GLY N N 15 113.842 0.005 . 1 . . . . . 305 G N . 52079 1 1270 . 1 . 1 146 146 TRP H H 1 7.519 0.002 . 1 . . . . . 306 W H . 52079 1 1271 . 1 . 1 146 146 TRP HE1 H 1 9.937 0.000 . 1 . . . . . 306 W HE1 . 52079 1 1272 . 1 . 1 146 146 TRP C C 13 174.027 0.004 . 1 . . . . . 306 W C . 52079 1 1273 . 1 . 1 146 146 TRP N N 15 120.924 0.006 . 1 . . . . . 306 W N . 52079 1 1274 . 1 . 1 146 146 TRP NE1 N 15 129.571 0.000 . 1 . . . . . 306 W NE1 . 52079 1 1275 . 1 . 1 147 147 TRP H H 1 8.532 0.000 . 1 . . . . . 307 W H . 52079 1 1276 . 1 . 1 147 147 TRP HE1 H 1 10.073 0.000 . 1 . . . . . 307 W HE1 . 52079 1 1277 . 1 . 1 147 147 TRP C C 13 173.334 0.000 . 1 . . . . . 307 W C . 52079 1 1278 . 1 . 1 147 147 TRP N N 15 121.961 0.028 . 1 . . . . . 307 W N . 52079 1 1279 . 1 . 1 147 147 TRP NE1 N 15 128.207 0.000 . 1 . . . . . 307 W NE1 . 52079 1 1280 . 1 . 1 148 148 GLU H H 1 8.558 0.005 . 1 . . . . . 308 E H . 52079 1 1281 . 1 . 1 148 148 GLU C C 13 176.752 0.002 . 1 . . . . . 308 E C . 52079 1 1282 . 1 . 1 148 148 GLU N N 15 118.335 0.013 . 1 . . . . . 308 E N . 52079 1 1283 . 1 . 1 149 149 GLY H H 1 9.440 0.002 . 1 . . . . . 309 G H . 52079 1 1284 . 1 . 1 149 149 GLY C C 13 169.611 0.003 . 1 . . . . . 309 G C . 52079 1 1285 . 1 . 1 149 149 GLY N N 15 114.739 0.005 . 1 . . . . . 309 G N . 52079 1 1286 . 1 . 1 150 150 GLU H H 1 9.072 0.002 . 1 . . . . . 310 E H . 52079 1 1287 . 1 . 1 150 150 GLU C C 13 174.374 0.001 . 1 . . . . . 310 E C . 52079 1 1288 . 1 . 1 150 150 GLU N N 15 118.364 0.011 . 1 . . . . . 310 E N . 52079 1 1289 . 1 . 1 151 151 LEU H H 1 9.050 0.001 . 1 . . . . . 311 L H . 52079 1 1290 . 1 . 1 151 151 LEU C C 13 176.079 0.007 . 1 . . . . . 311 L C . 52079 1 1291 . 1 . 1 151 151 LEU N N 15 125.290 0.006 . 1 . . . . . 311 L N . 52079 1 1292 . 1 . 1 152 152 ASN H H 1 9.853 0.007 . 1 . . . . . 312 N H . 52079 1 1293 . 1 . 1 152 152 ASN C C 13 175.175 0.001 . 1 . . . . . 312 N C . 52079 1 1294 . 1 . 1 152 152 ASN N N 15 127.655 0.018 . 1 . . . . . 312 N N . 52079 1 1295 . 1 . 1 153 153 GLY H H 1 8.992 0.001 . 1 . . . . . 313 G H . 52079 1 1296 . 1 . 1 153 153 GLY C C 13 173.781 0.003 . 1 . . . . . 313 G C . 52079 1 1297 . 1 . 1 153 153 GLY N N 15 104.417 0.009 . 1 . . . . . 313 G N . 52079 1 1298 . 1 . 1 154 154 ARG H H 1 7.883 0.001 . 1 . . . . . 314 R H . 52079 1 1299 . 1 . 1 154 154 ARG HE H 1 7.355 0.000 . 1 . . . . . 314 R HE . 52079 1 1300 . 1 . 1 154 154 ARG C C 13 173.923 0.001 . 1 . . . . . 314 R C . 52079 1 1301 . 1 . 1 154 154 ARG N N 15 121.599 0.032 . 1 . . . . . 314 R N . 52079 1 1302 . 1 . 1 154 154 ARG NE N 15 85.172 0.000 . 1 . . . . . 314 R NE . 52079 1 1303 . 1 . 1 155 155 ARG H H 1 8.601 0.002 . 1 . . . . . 315 R H . 52079 1 1304 . 1 . 1 155 155 ARG HE H 1 7.460 0.000 . 1 . . . . . 315 R HE . 52079 1 1305 . 1 . 1 155 155 ARG C C 13 174.804 2.099 . 1 . . . . . 315 R C . 52079 1 1306 . 1 . 1 155 155 ARG N N 15 121.931 0.018 . 1 . . . . . 315 R N . 52079 1 1307 . 1 . 1 155 155 ARG NE N 15 84.594 0.000 . 1 . . . . . 315 R NE . 52079 1 1308 . 1 . 1 156 156 GLY H H 1 8.894 0.000 . 1 . . . . . 316 G H . 52079 1 1309 . 1 . 1 156 156 GLY C C 13 171.839 0.000 . 1 . . . . . 316 G C . 52079 1 1310 . 1 . 1 156 156 GLY N N 15 110.678 0.804 . 1 . . . . . 316 G N . 52079 1 1311 . 1 . 1 157 157 VAL H H 1 8.739 0.002 . 1 . . . . . 317 V H . 52079 1 1312 . 1 . 1 157 157 VAL C C 13 176.165 0.006 . 1 . . . . . 317 V C . 52079 1 1313 . 1 . 1 157 157 VAL N N 15 112.040 0.010 . 1 . . . . . 317 V N . 52079 1 1314 . 1 . 1 158 158 PHE H H 1 8.831 0.000 . 1 . . . . . 318 F H . 52079 1 1315 . 1 . 1 158 158 PHE N N 15 117.354 0.009 . 1 . . . . . 318 F N . 52079 1 1316 . 1 . 1 159 159 PRO C C 13 178.019 0.001 . 1 . . . . . 319 P C . 52079 1 1317 . 1 . 1 160 160 ASP H H 1 7.829 0.002 . 1 . . . . . 320 D H . 52079 1 1318 . 1 . 1 160 160 ASP N N 15 123.639 0.005 . 1 . . . . . 320 D N . 52079 1 1319 . 1 . 1 161 161 ASN C C 13 175.931 0.001 . 1 . . . . . 321 N C . 52079 1 1320 . 1 . 1 162 162 PHE H H 1 7.708 0.003 . 1 . . . . . 322 F H . 52079 1 1321 . 1 . 1 162 162 PHE C C 13 175.043 0.002 . 1 . . . . . 322 F C . 52079 1 1322 . 1 . 1 162 162 PHE N N 15 120.195 0.047 . 1 . . . . . 322 F N . 52079 1 1323 . 1 . 1 163 163 VAL H H 1 7.291 0.001 . 1 . . . . . 323 V H . 52079 1 1324 . 1 . 1 163 163 VAL C C 13 173.558 0.003 . 1 . . . . . 323 V C . 52079 1 1325 . 1 . 1 163 163 VAL N N 15 109.076 0.019 . 1 . . . . . 323 V N . 52079 1 1326 . 1 . 1 164 164 LYS H H 1 8.966 0.002 . 1 . . . . . 324 K H . 52079 1 1327 . 1 . 1 164 164 LYS C C 13 175.981 0.005 . 1 . . . . . 324 K C . 52079 1 1328 . 1 . 1 164 164 LYS N N 15 118.974 0.005 . 1 . . . . . 324 K N . 52079 1 1329 . 1 . 1 165 165 LEU H H 1 9.117 0.002 . 1 . . . . . 325 L H . 52079 1 1330 . 1 . 1 165 165 LEU C C 13 176.896 0.001 . 1 . . . . . 325 L C . 52079 1 1331 . 1 . 1 165 165 LEU N N 15 127.124 0.005 . 1 . . . . . 325 L N . 52079 1 1332 . 1 . 1 166 166 LEU H H 1 8.447 0.001 . 1 . . . . . 326 L H . 52079 1 1333 . 1 . 1 166 166 LEU HA H 1 4.337 0.000 . 1 . . . . . 326 L HA . 52079 1 1334 . 1 . 1 166 166 LEU HB2 H 1 1.491 0.000 . 2 . . . . . 326 L HB* . 52079 1 1335 . 1 . 1 166 166 LEU HB3 H 1 1.491 0.000 . 2 . . . . . 326 L HB* . 52079 1 1336 . 1 . 1 166 166 LEU HG H 1 1.489 0.000 . 1 . . . . . 326 L HG . 52079 1 1337 . 1 . 1 166 166 LEU HD11 H 1 0.824 0.000 . 2 . . . . . 326 L HD1* . 52079 1 1338 . 1 . 1 166 166 LEU HD12 H 1 0.824 0.000 . 2 . . . . . 326 L HD1* . 52079 1 1339 . 1 . 1 166 166 LEU HD13 H 1 0.824 0.000 . 2 . . . . . 326 L HD1* . 52079 1 1340 . 1 . 1 166 166 LEU HD21 H 1 0.826 0.000 . 2 . . . . . 326 L HD2* . 52079 1 1341 . 1 . 1 166 166 LEU HD22 H 1 0.826 0.000 . 2 . . . . . 326 L HD2* . 52079 1 1342 . 1 . 1 166 166 LEU HD23 H 1 0.826 0.000 . 2 . . . . . 326 L HD2* . 52079 1 1343 . 1 . 1 166 166 LEU C C 13 175.421 0.009 . 1 . . . . . 326 L C . 52079 1 1344 . 1 . 1 166 166 LEU CA C 13 52.770 0.000 . 1 . . . . . 326 L CA . 52079 1 1345 . 1 . 1 166 166 LEU CB C 13 43.320 0.000 . 1 . . . . . 326 L CB . 52079 1 1346 . 1 . 1 166 166 LEU CG C 13 26.857 0.000 . 1 . . . . . 326 L CG . 52079 1 1347 . 1 . 1 166 166 LEU N N 15 126.919 0.021 . 1 . . . . . 326 L N . 52079 1 1348 . 1 . 1 167 167 PRO C C 13 175.028 0.001 . 1 . . . . . 327 P C . 52079 1 1349 . 1 . 1 167 167 PRO CA C 13 61.795 0.000 . 1 . . . . . 327 P CA . 52079 1 1350 . 1 . 1 167 167 PRO CB C 13 30.986 0.000 . 1 . . . . . 327 P CB . 52079 1 1351 . 1 . 1 167 167 PRO N N 15 133.966 0.066 . 1 . . . . . 327 P N . 52079 1 1352 . 1 . 1 168 168 PRO C C 13 176.886 0.001 . 1 . . . . . 328 P C . 52079 1 1353 . 1 . 1 168 168 PRO N N 15 133.316 0.015 . 1 . . . . . 328 P N . 52079 1 1354 . 1 . 1 169 169 ASP H H 1 8.322 0.000 . 1 . . . . . 329 D H . 52079 1 1355 . 1 . 1 169 169 ASP C C 13 176.097 0.002 . 1 . . . . . 329 D C . 52079 1 1356 . 1 . 1 169 169 ASP N N 15 116.284 0.012 . 1 . . . . . 329 D N . 52079 1 1357 . 1 . 1 170 170 PHE H H 1 7.880 0.000 . 1 . . . . . 330 F H . 52079 1 1358 . 1 . 1 170 170 PHE C C 13 175.133 0.000 . 1 . . . . . 330 F C . 52079 1 1359 . 1 . 1 170 170 PHE N N 15 120.667 0.009 . 1 . . . . . 330 F N . 52079 1 1360 . 1 . 1 171 171 GLU H H 1 7.925 0.001 . 1 . . . . . 331 E H . 52079 1 1361 . 1 . 1 171 171 GLU C C 13 174.959 0.000 . 1 . . . . . 331 E C . 52079 1 1362 . 1 . 1 171 171 GLU N N 15 124.094 0.004 . 1 . . . . . 331 E N . 52079 1 1363 . 1 . 1 172 172 LYS H H 1 7.910 0.002 . 1 . . . . . 332 K H . 52079 1 1364 . 1 . 1 172 172 LYS C C 13 175.457 0.000 . 1 . . . . . 332 K C . 52079 1 1365 . 1 . 1 172 172 LYS CA C 13 56.370 0.000 . 1 . . . . . 332 K CA . 52079 1 1366 . 1 . 1 172 172 LYS CB C 13 33.158 0.000 . 1 . . . . . 332 K CB . 52079 1 1367 . 1 . 1 172 172 LYS N N 15 122.758 0.025 . 1 . . . . . 332 K N . 52079 1 1368 . 1 . 1 173 173 GLU H H 1 8.027 0.001 . 1 . . . . . 333 E H . 52079 1 1369 . 1 . 1 173 173 GLU N N 15 127.845 0.010 . 1 . . . . . 333 E N . 52079 1 stop_ save_