data_52081 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52081 _Entry.Title ; CIN85(163-333) ; _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 wild-type construct. ; _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 52081 2 Christian Griesinger . . . 0000-0002-1266-4344 52081 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' . 52081 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52081 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 445 52081 '15N chemical shifts' 170 52081 '1H chemical shifts' 638 52081 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' 52081 1 . . 2023-12-19 2023-08-15 original author 'original release' 52081 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52079 'Entry for the R227A/R229A mutant of the construct.' 52081 BMRB 52080 'Entry for the R229A mutant of the construct.' 52081 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52081 _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 . . . . 52081 1 2 Michael Engelke . . . . 52081 1 3 Nasrollah Rezaei-Ghaleh . . . . 52081 1 4 Stefan Becker . . . . 52081 1 5 Jurgen Wienands . . . . 52081 1 6 Christian Griesinger . . . . 52081 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52081 _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) 1 $entity_1 . . yes 'partially disordered' yes no . . . 52081 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52081 _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 DKPIKLRPRSIEVENDFLPV 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 yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 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 . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18889.07 _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)' . . . . . . . . . . . . . . 52081 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 . 52081 1 2 162 SER . 52081 1 3 163 GLY . 52081 1 4 164 ILE . 52081 1 5 165 SER . 52081 1 6 166 GLN . 52081 1 7 167 ASP . 52081 1 8 168 GLU . 52081 1 9 169 GLN . 52081 1 10 170 LEU . 52081 1 11 171 SER . 52081 1 12 172 LYS . 52081 1 13 173 SER . 52081 1 14 174 SER . 52081 1 15 175 LEU . 52081 1 16 176 ARG . 52081 1 17 177 GLU . 52081 1 18 178 THR . 52081 1 19 179 THR . 52081 1 20 180 GLY . 52081 1 21 181 SER . 52081 1 22 182 GLU . 52081 1 23 183 SER . 52081 1 24 184 ASP . 52081 1 25 185 GLY . 52081 1 26 186 GLY . 52081 1 27 187 ASP . 52081 1 28 188 SER . 52081 1 29 189 SER . 52081 1 30 190 SER . 52081 1 31 191 THR . 52081 1 32 192 LYS . 52081 1 33 193 SER . 52081 1 34 194 GLU . 52081 1 35 195 GLY . 52081 1 36 196 ALA . 52081 1 37 197 ASN . 52081 1 38 198 GLY . 52081 1 39 199 THR . 52081 1 40 200 VAL . 52081 1 41 201 ALA . 52081 1 42 202 THR . 52081 1 43 203 ALA . 52081 1 44 204 ALA . 52081 1 45 205 ILE . 52081 1 46 206 GLN . 52081 1 47 207 PRO . 52081 1 48 208 LYS . 52081 1 49 209 LYS . 52081 1 50 210 VAL . 52081 1 51 211 LYS . 52081 1 52 212 GLY . 52081 1 53 213 VAL . 52081 1 54 214 GLY . 52081 1 55 215 PHE . 52081 1 56 216 GLY . 52081 1 57 217 ASP . 52081 1 58 218 ILE . 52081 1 59 219 PHE . 52081 1 60 220 LYS . 52081 1 61 221 ASP . 52081 1 62 222 LYS . 52081 1 63 223 PRO . 52081 1 64 224 ILE . 52081 1 65 225 LYS . 52081 1 66 226 LEU . 52081 1 67 227 ARG . 52081 1 68 228 PRO . 52081 1 69 229 ARG . 52081 1 70 230 SER . 52081 1 71 231 ILE . 52081 1 72 232 GLU . 52081 1 73 233 VAL . 52081 1 74 234 GLU . 52081 1 75 235 ASN . 52081 1 76 236 ASP . 52081 1 77 237 PHE . 52081 1 78 238 LEU . 52081 1 79 239 PRO . 52081 1 80 240 VAL . 52081 1 81 241 GLU . 52081 1 82 242 LYS . 52081 1 83 243 THR . 52081 1 84 244 ILE . 52081 1 85 245 GLY . 52081 1 86 246 LYS . 52081 1 87 247 LYS . 52081 1 88 248 LEU . 52081 1 89 249 PRO . 52081 1 90 250 ALA . 52081 1 91 251 THR . 52081 1 92 252 THR . 52081 1 93 253 ALA . 52081 1 94 254 THR . 52081 1 95 255 PRO . 52081 1 96 256 ASP . 52081 1 97 257 SER . 52081 1 98 258 SER . 52081 1 99 259 LYS . 52081 1 100 260 THR . 52081 1 101 261 GLU . 52081 1 102 262 MET . 52081 1 103 263 ASP . 52081 1 104 264 SER . 52081 1 105 265 ARG . 52081 1 106 266 THR . 52081 1 107 267 LYS . 52081 1 108 268 SER . 52081 1 109 269 LYS . 52081 1 110 270 ASP . 52081 1 111 271 TYR . 52081 1 112 272 CYS . 52081 1 113 273 LYS . 52081 1 114 274 VAL . 52081 1 115 275 ILE . 52081 1 116 276 PHE . 52081 1 117 277 PRO . 52081 1 118 278 TYR . 52081 1 119 279 GLU . 52081 1 120 280 ALA . 52081 1 121 281 GLN . 52081 1 122 282 ASN . 52081 1 123 283 ASP . 52081 1 124 284 ASP . 52081 1 125 285 GLU . 52081 1 126 286 LEU . 52081 1 127 287 THR . 52081 1 128 288 ILE . 52081 1 129 289 LYS . 52081 1 130 290 GLU . 52081 1 131 291 GLY . 52081 1 132 292 ASP . 52081 1 133 293 ILE . 52081 1 134 294 VAL . 52081 1 135 295 THR . 52081 1 136 296 LEU . 52081 1 137 297 ILE . 52081 1 138 298 ASN . 52081 1 139 299 LYS . 52081 1 140 300 ASP . 52081 1 141 301 CYS . 52081 1 142 302 ILE . 52081 1 143 303 ASP . 52081 1 144 304 VAL . 52081 1 145 305 GLY . 52081 1 146 306 TRP . 52081 1 147 307 TRP . 52081 1 148 308 GLU . 52081 1 149 309 GLY . 52081 1 150 310 GLU . 52081 1 151 311 LEU . 52081 1 152 312 ASN . 52081 1 153 313 GLY . 52081 1 154 314 ARG . 52081 1 155 315 ARG . 52081 1 156 316 GLY . 52081 1 157 317 VAL . 52081 1 158 318 PHE . 52081 1 159 319 PRO . 52081 1 160 320 ASP . 52081 1 161 321 ASN . 52081 1 162 322 PHE . 52081 1 163 323 VAL . 52081 1 164 324 LYS . 52081 1 165 325 LEU . 52081 1 166 326 LEU . 52081 1 167 327 PRO . 52081 1 168 328 PRO . 52081 1 169 329 ASP . 52081 1 170 330 PHE . 52081 1 171 331 GLU . 52081 1 172 332 LYS . 52081 1 173 333 GLU . 52081 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 52081 1 . SER 2 2 52081 1 . GLY 3 3 52081 1 . ILE 4 4 52081 1 . SER 5 5 52081 1 . GLN 6 6 52081 1 . ASP 7 7 52081 1 . GLU 8 8 52081 1 . GLN 9 9 52081 1 . LEU 10 10 52081 1 . SER 11 11 52081 1 . LYS 12 12 52081 1 . SER 13 13 52081 1 . SER 14 14 52081 1 . LEU 15 15 52081 1 . ARG 16 16 52081 1 . GLU 17 17 52081 1 . THR 18 18 52081 1 . THR 19 19 52081 1 . GLY 20 20 52081 1 . SER 21 21 52081 1 . GLU 22 22 52081 1 . SER 23 23 52081 1 . ASP 24 24 52081 1 . GLY 25 25 52081 1 . GLY 26 26 52081 1 . ASP 27 27 52081 1 . SER 28 28 52081 1 . SER 29 29 52081 1 . SER 30 30 52081 1 . THR 31 31 52081 1 . LYS 32 32 52081 1 . SER 33 33 52081 1 . GLU 34 34 52081 1 . GLY 35 35 52081 1 . ALA 36 36 52081 1 . ASN 37 37 52081 1 . GLY 38 38 52081 1 . THR 39 39 52081 1 . VAL 40 40 52081 1 . ALA 41 41 52081 1 . THR 42 42 52081 1 . ALA 43 43 52081 1 . ALA 44 44 52081 1 . ILE 45 45 52081 1 . GLN 46 46 52081 1 . PRO 47 47 52081 1 . LYS 48 48 52081 1 . LYS 49 49 52081 1 . VAL 50 50 52081 1 . LYS 51 51 52081 1 . GLY 52 52 52081 1 . VAL 53 53 52081 1 . GLY 54 54 52081 1 . PHE 55 55 52081 1 . GLY 56 56 52081 1 . ASP 57 57 52081 1 . ILE 58 58 52081 1 . PHE 59 59 52081 1 . LYS 60 60 52081 1 . ASP 61 61 52081 1 . LYS 62 62 52081 1 . PRO 63 63 52081 1 . ILE 64 64 52081 1 . LYS 65 65 52081 1 . LEU 66 66 52081 1 . ARG 67 67 52081 1 . PRO 68 68 52081 1 . ARG 69 69 52081 1 . SER 70 70 52081 1 . ILE 71 71 52081 1 . GLU 72 72 52081 1 . VAL 73 73 52081 1 . GLU 74 74 52081 1 . ASN 75 75 52081 1 . ASP 76 76 52081 1 . PHE 77 77 52081 1 . LEU 78 78 52081 1 . PRO 79 79 52081 1 . VAL 80 80 52081 1 . GLU 81 81 52081 1 . LYS 82 82 52081 1 . THR 83 83 52081 1 . ILE 84 84 52081 1 . GLY 85 85 52081 1 . LYS 86 86 52081 1 . LYS 87 87 52081 1 . LEU 88 88 52081 1 . PRO 89 89 52081 1 . ALA 90 90 52081 1 . THR 91 91 52081 1 . THR 92 92 52081 1 . ALA 93 93 52081 1 . THR 94 94 52081 1 . PRO 95 95 52081 1 . ASP 96 96 52081 1 . SER 97 97 52081 1 . SER 98 98 52081 1 . LYS 99 99 52081 1 . THR 100 100 52081 1 . GLU 101 101 52081 1 . MET 102 102 52081 1 . ASP 103 103 52081 1 . SER 104 104 52081 1 . ARG 105 105 52081 1 . THR 106 106 52081 1 . LYS 107 107 52081 1 . SER 108 108 52081 1 . LYS 109 109 52081 1 . ASP 110 110 52081 1 . TYR 111 111 52081 1 . CYS 112 112 52081 1 . LYS 113 113 52081 1 . VAL 114 114 52081 1 . ILE 115 115 52081 1 . PHE 116 116 52081 1 . PRO 117 117 52081 1 . TYR 118 118 52081 1 . GLU 119 119 52081 1 . ALA 120 120 52081 1 . GLN 121 121 52081 1 . ASN 122 122 52081 1 . ASP 123 123 52081 1 . ASP 124 124 52081 1 . GLU 125 125 52081 1 . LEU 126 126 52081 1 . THR 127 127 52081 1 . ILE 128 128 52081 1 . LYS 129 129 52081 1 . GLU 130 130 52081 1 . GLY 131 131 52081 1 . ASP 132 132 52081 1 . ILE 133 133 52081 1 . VAL 134 134 52081 1 . THR 135 135 52081 1 . LEU 136 136 52081 1 . ILE 137 137 52081 1 . ASN 138 138 52081 1 . LYS 139 139 52081 1 . ASP 140 140 52081 1 . CYS 141 141 52081 1 . ILE 142 142 52081 1 . ASP 143 143 52081 1 . VAL 144 144 52081 1 . GLY 145 145 52081 1 . TRP 146 146 52081 1 . TRP 147 147 52081 1 . GLU 148 148 52081 1 . GLY 149 149 52081 1 . GLU 150 150 52081 1 . LEU 151 151 52081 1 . ASN 152 152 52081 1 . GLY 153 153 52081 1 . ARG 154 154 52081 1 . ARG 155 155 52081 1 . GLY 156 156 52081 1 . VAL 157 157 52081 1 . PHE 158 158 52081 1 . PRO 159 159 52081 1 . ASP 160 160 52081 1 . ASN 161 161 52081 1 . PHE 162 162 52081 1 . VAL 163 163 52081 1 . LYS 164 164 52081 1 . LEU 165 165 52081 1 . LEU 166 166 52081 1 . PRO 167 167 52081 1 . PRO 168 168 52081 1 . ASP 169 169 52081 1 . PHE 170 170 52081 1 . GLU 171 171 52081 1 . LYS 172 172 52081 1 . GLU 173 173 52081 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 52081 _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) . . . . . . . . . . . . 52081 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 52081 _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 . . . 52081 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52081 _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 . . . . 52081 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 52081 1 3 'CIN85 monomer' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 52081 1 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 52081 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 52081 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . '% w/v' . . . . 52081 1 7 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 52081 1 8 D2O 'natural abundance' . . . . . . 5 . . '% v/v' . . . . 52081 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 52081 _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 52081 1 pH 6.0 . pH 52081 1 pressure 1 . atm 52081 1 temperature 298 . K 52081 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52081 _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' . 52081 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52081 _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 . 52081 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52081 _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' . 52081 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 52081 _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 52081 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 900 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 52081 _NMR_spectrometer.ID 3 _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 52081 _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 52081 1 2 '3D (H)CCCON' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 13C-detected 52081 1 3 '3D H(CC)CON' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 13C-detected 52081 1 4 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 13C-detected 52081 1 5 '2D (HACA)CON' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 13C-detected 52081 1 6 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52081 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 52081 _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 . . . . . 52081 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52081 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52081 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 52081 _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' . . . 52081 1 2 '3D (H)CCCON' . . . 52081 1 3 '3D H(CC)CON' . . . 52081 1 4 '3D HNCO' . . . 52081 1 5 '2D (HACA)CON' . . . 52081 1 6 '2D 1H-15N TROSY' . . . 52081 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 . . 52081 1 2 $software_2 . . 52081 1 3 $software_3 . . 52081 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 2 2 SER HA H 1 4.442 0.000 . 1 . . . . . 162 S HA . 52081 1 2 . 1 . 1 2 2 SER HB2 H 1 3.813 0.000 . 2 . . . . . 162 S QB . 52081 1 3 . 1 . 1 2 2 SER HB3 H 1 3.813 0.000 . 2 . . . . . 162 S QB . 52081 1 4 . 1 . 1 2 2 SER C C 13 174.892 0.012 . 1 . . . . . 162 S C . 52081 1 5 . 1 . 1 2 2 SER CA C 13 58.438 0.000 . 1 . . . . . 162 S CA . 52081 1 6 . 1 . 1 2 2 SER CB C 13 64.621 0.000 . 1 . . . . . 162 S CB . 52081 1 7 . 1 . 1 3 3 GLY H H 1 8.566 0.002 . 1 . . . . . 163 G H . 52081 1 8 . 1 . 1 3 3 GLY HA2 H 1 3.901 0.000 . 2 . . . . . 163 G HA . 52081 1 9 . 1 . 1 3 3 GLY HA3 H 1 3.901 0.000 . 2 . . . . . 163 G HA . 52081 1 10 . 1 . 1 3 3 GLY C C 13 173.968 0.004 . 1 . . . . . 163 G C . 52081 1 11 . 1 . 1 3 3 GLY CA C 13 45.252 0.000 . 1 . . . . . 163 G CA . 52081 1 12 . 1 . 1 3 3 GLY N N 15 111.268 0.010 . 1 . . . . . 163 G N . 52081 1 13 . 1 . 1 4 4 ILE H H 1 8.059 0.000 . 1 . . . . . 164 I H . 52081 1 14 . 1 . 1 4 4 ILE HA H 1 4.154 0.000 . 1 . . . . . 164 I HA . 52081 1 15 . 1 . 1 4 4 ILE HB H 1 1.780 0.000 . 1 . . . . . 164 I HB . 52081 1 16 . 1 . 1 4 4 ILE HG12 H 1 1.360 0.000 . 2 . . . . . 164 I HG1# . 52081 1 17 . 1 . 1 4 4 ILE HG13 H 1 1.360 0.000 . 2 . . . . . 164 I HG1# . 52081 1 18 . 1 . 1 4 4 ILE HG21 H 1 1.093 0.000 . 1 . . . . . 164 I MG . 52081 1 19 . 1 . 1 4 4 ILE HG22 H 1 1.093 0.000 . 1 . . . . . 164 I MG . 52081 1 20 . 1 . 1 4 4 ILE HG23 H 1 1.093 0.000 . 1 . . . . . 164 I MG . 52081 1 21 . 1 . 1 4 4 ILE HD11 H 1 0.797 0.000 . 1 . . . . . 164 I MD . 52081 1 22 . 1 . 1 4 4 ILE HD12 H 1 0.797 0.000 . 1 . . . . . 164 I MD . 52081 1 23 . 1 . 1 4 4 ILE HD13 H 1 0.797 0.000 . 1 . . . . . 164 I MD . 52081 1 24 . 1 . 1 4 4 ILE C C 13 176.458 0.005 . 1 . . . . . 164 I C . 52081 1 25 . 1 . 1 4 4 ILE CA C 13 61.165 0.000 . 1 . . . . . 164 I CA . 52081 1 26 . 1 . 1 4 4 ILE CB C 13 38.892 0.000 . 1 . . . . . 164 I CB . 52081 1 27 . 1 . 1 4 4 ILE CG1 C 13 26.978 0.000 . 1 . . . . . 164 I CG1 . 52081 1 28 . 1 . 1 4 4 ILE CG2 C 13 17.305 0.000 . 1 . . . . . 164 I CG2 . 52081 1 29 . 1 . 1 4 4 ILE N N 15 119.916 0.013 . 1 . . . . . 164 I N . 52081 1 30 . 1 . 1 5 5 SER H H 1 8.470 0.001 . 1 . . . . . 165 S H . 52081 1 31 . 1 . 1 5 5 SER HA H 1 4.373 0.000 . 1 . . . . . 165 S HA . 52081 1 32 . 1 . 1 5 5 SER HB2 H 1 3.799 0.000 . 2 . . . . . 165 S QB . 52081 1 33 . 1 . 1 5 5 SER HB3 H 1 3.799 0.000 . 2 . . . . . 165 S QB . 52081 1 34 . 1 . 1 5 5 SER C C 13 174.776 0.007 . 1 . . . . . 165 S C . 52081 1 35 . 1 . 1 5 5 SER N N 15 120.254 0.022 . 1 . . . . . 165 S N . 52081 1 36 . 1 . 1 6 6 GLN H H 1 8.553 0.000 . 1 . . . . . 166 Q H . 52081 1 37 . 1 . 1 6 6 GLN HA H 1 4.232 0.000 . 1 . . . . . 166 Q HA . 52081 1 38 . 1 . 1 6 6 GLN HB2 H 1 1.907 0.000 . 2 . . . . . 166 Q HB2 . 52081 1 39 . 1 . 1 6 6 GLN HB3 H 1 2.002 0.000 . 2 . . . . . 166 Q HB3 . 52081 1 40 . 1 . 1 6 6 GLN HG2 H 1 2.277 0.000 . 2 . . . . . 166 Q HG2 . 52081 1 41 . 1 . 1 6 6 GLN HG3 H 1 2.052 0.000 . 2 . . . . . 166 Q HG3 . 52081 1 42 . 1 . 1 6 6 GLN C C 13 175.986 0.004 . 1 . . . . . 166 Q C . 52081 1 43 . 1 . 1 6 6 GLN CA C 13 56.470 0.000 . 1 . . . . . 166 Q CA . 52081 1 44 . 1 . 1 6 6 GLN CB C 13 29.160 0.000 . 1 . . . . . 166 Q CB . 52081 1 45 . 1 . 1 6 6 GLN CG C 13 33.681 0.000 . 1 . . . . . 166 Q CG . 52081 1 46 . 1 . 1 6 6 GLN N N 15 122.742 0.031 . 1 . . . . . 166 Q N . 52081 1 47 . 1 . 1 7 7 ASP H H 1 8.320 0.000 . 1 . . . . . 167 D H . 52081 1 48 . 1 . 1 7 7 ASP HA H 1 4.453 0.000 . 1 . . . . . 167 D HA . 52081 1 49 . 1 . 1 7 7 ASP HB2 H 1 2.635 0.000 . 2 . . . . . 167 D HB2 . 52081 1 50 . 1 . 1 7 7 ASP HB3 H 1 2.504 0.000 . 2 . . . . . 167 D HB3 . 52081 1 51 . 1 . 1 7 7 ASP C C 13 176.823 0.004 . 1 . . . . . 167 D C . 52081 1 52 . 1 . 1 7 7 ASP CA C 13 54.945 0.000 . 1 . . . . . 167 D CA . 52081 1 53 . 1 . 1 7 7 ASP CB C 13 41.049 0.000 . 1 . . . . . 167 D CB . 52081 1 54 . 1 . 1 7 7 ASP N N 15 120.793 0.015 . 1 . . . . . 167 D N . 52081 1 55 . 1 . 1 8 8 GLU H H 1 8.322 0.000 . 1 . . . . . 168 E H . 52081 1 56 . 1 . 1 8 8 GLU HA H 1 4.125 0.000 . 1 . . . . . 168 E HA . 52081 1 57 . 1 . 1 8 8 GLU HB2 H 1 1.938 0.000 . 2 . . . . . 168 E QB . 52081 1 58 . 1 . 1 8 8 GLU HB3 H 1 1.938 0.000 . 2 . . . . . 168 E QB . 52081 1 59 . 1 . 1 8 8 GLU HG2 H 1 2.176 0.000 . 2 . . . . . 168 E QG . 52081 1 60 . 1 . 1 8 8 GLU HG3 H 1 2.176 0.000 . 2 . . . . . 168 E QG . 52081 1 61 . 1 . 1 8 8 GLU C C 13 177.030 0.005 . 1 . . . . . 168 E C . 52081 1 62 . 1 . 1 8 8 GLU CA C 13 57.397 0.000 . 1 . . . . . 168 E CA . 52081 1 63 . 1 . 1 8 8 GLU CB C 13 29.829 0.000 . 1 . . . . . 168 E CB . 52081 1 64 . 1 . 1 8 8 GLU CG C 13 36.193 0.000 . 1 . . . . . 168 E CG . 52081 1 65 . 1 . 1 8 8 GLU N N 15 121.651 0.020 . 1 . . . . . 168 E N . 52081 1 66 . 1 . 1 9 9 GLN H H 1 8.354 0.000 . 1 . . . . . 169 Q H . 52081 1 67 . 1 . 1 9 9 GLN HA H 1 4.157 0.000 . 1 . . . . . 169 Q HA . 52081 1 68 . 1 . 1 9 9 GLN HB2 H 1 2.051 0.000 . 2 . . . . . 169 Q HB2 . 52081 1 69 . 1 . 1 9 9 GLN HB3 H 1 1.942 0.000 . 2 . . . . . 169 Q HB3 . 52081 1 70 . 1 . 1 9 9 GLN HG2 H 1 2.288 0.000 . 2 . . . . . 169 Q QG . 52081 1 71 . 1 . 1 9 9 GLN HG3 H 1 2.288 0.000 . 2 . . . . . 169 Q QG . 52081 1 72 . 1 . 1 9 9 GLN C C 13 176.643 0.005 . 1 . . . . . 169 Q C . 52081 1 73 . 1 . 1 9 9 GLN CA C 13 56.586 0.000 . 1 . . . . . 169 Q CA . 52081 1 74 . 1 . 1 9 9 GLN CB C 13 28.899 0.000 . 1 . . . . . 169 Q CB . 52081 1 75 . 1 . 1 9 9 GLN CG C 13 33.740 0.000 . 1 . . . . . 169 Q CG . 52081 1 76 . 1 . 1 9 9 GLN N N 15 120.281 0.015 . 1 . . . . . 169 Q N . 52081 1 77 . 1 . 1 10 10 LEU H H 1 8.139 0.000 . 1 . . . . . 170 L H . 52081 1 78 . 1 . 1 10 10 LEU HA H 1 4.231 0.000 . 1 . . . . . 170 L HA . 52081 1 79 . 1 . 1 10 10 LEU HB2 H 1 1.559 0.000 . 2 . . . . . 170 L HB2 . 52081 1 80 . 1 . 1 10 10 LEU HB3 H 1 1.313 0.000 . 2 . . . . . 170 L HB3 . 52081 1 81 . 1 . 1 10 10 LEU HD11 H 1 0.815 0.000 . 2 . . . . . 170 L MD1 . 52081 1 82 . 1 . 1 10 10 LEU HD12 H 1 0.815 0.000 . 2 . . . . . 170 L MD1 . 52081 1 83 . 1 . 1 10 10 LEU HD13 H 1 0.815 0.000 . 2 . . . . . 170 L MD1 . 52081 1 84 . 1 . 1 10 10 LEU HD21 H 1 0.815 0.000 . 2 . . . . . 170 L MD2 . 52081 1 85 . 1 . 1 10 10 LEU HD22 H 1 0.815 0.000 . 2 . . . . . 170 L MD2 . 52081 1 86 . 1 . 1 10 10 LEU HD23 H 1 0.815 0.000 . 2 . . . . . 170 L MD2 . 52081 1 87 . 1 . 1 10 10 LEU C C 13 177.904 0.006 . 1 . . . . . 170 L C . 52081 1 88 . 1 . 1 10 10 LEU CA C 13 55.716 0.000 . 1 . . . . . 170 L CA . 52081 1 89 . 1 . 1 10 10 LEU CB C 13 42.188 0.000 . 1 . . . . . 170 L CB . 52081 1 90 . 1 . 1 10 10 LEU CG C 13 26.889 0.000 . 1 . . . . . 170 L CG . 52081 1 91 . 1 . 1 10 10 LEU CD1 C 13 24.657 0.000 . 2 . . . . . 170 L CD1 . 52081 1 92 . 1 . 1 10 10 LEU CD2 C 13 23.351 0.000 . 2 . . . . . 170 L CD2 . 52081 1 93 . 1 . 1 10 10 LEU N N 15 122.076 0.028 . 1 . . . . . 170 L N . 52081 1 94 . 1 . 1 11 11 SER H H 1 8.197 0.000 . 1 . . . . . 171 S H . 52081 1 95 . 1 . 1 11 11 SER HA H 1 4.310 0.000 . 1 . . . . . 171 S HA . 52081 1 96 . 1 . 1 11 11 SER HB2 H 1 3.811 0.000 . 2 . . . . . 171 S QB . 52081 1 97 . 1 . 1 11 11 SER HB3 H 1 3.811 0.000 . 2 . . . . . 171 S QB . 52081 1 98 . 1 . 1 11 11 SER C C 13 174.978 0.004 . 1 . . . . . 171 S C . 52081 1 99 . 1 . 1 11 11 SER CA C 13 58.753 0.000 . 1 . . . . . 171 S CA . 52081 1 100 . 1 . 1 11 11 SER CB C 13 64.085 0.000 . 1 . . . . . 171 S CB . 52081 1 101 . 1 . 1 11 11 SER N N 15 115.870 0.018 . 1 . . . . . 171 S N . 52081 1 102 . 1 . 1 12 12 LYS H H 1 8.236 0.002 . 1 . . . . . 172 K H . 52081 1 103 . 1 . 1 12 12 LYS HA H 1 4.256 0.000 . 1 . . . . . 172 K HA . 52081 1 104 . 1 . 1 12 12 LYS HB2 H 1 1.822 0.000 . 2 . . . . . 172 K HB2 . 52081 1 105 . 1 . 1 12 12 LYS HB3 H 1 1.709 0.000 . 2 . . . . . 172 K HB3 . 52081 1 106 . 1 . 1 12 12 LYS HG2 H 1 1.376 0.000 . 4 . . . . . 172 K QG . 52081 1 107 . 1 . 1 12 12 LYS HG3 H 1 1.376 0.000 . 2 . . . . . 172 K QG . 52081 1 108 . 1 . 1 12 12 LYS HD2 H 1 1.594 0.000 . 4 . . . . . 172 K QD . 52081 1 109 . 1 . 1 12 12 LYS HD3 H 1 1.594 0.000 . 2 . . . . . 172 K QD . 52081 1 110 . 1 . 1 12 12 LYS HE2 H 1 2.904 0.000 . 2 . . . . . 172 K QE . 52081 1 111 . 1 . 1 12 12 LYS HE3 H 1 2.904 0.000 . 2 . . . . . 172 K QE . 52081 1 112 . 1 . 1 12 12 LYS C C 13 177.004 0.010 . 1 . . . . . 172 K C . 52081 1 113 . 1 . 1 12 12 LYS CA C 13 56.819 0.000 . 1 . . . . . 172 K CA . 52081 1 114 . 1 . 1 12 12 LYS CB C 13 32.730 0.000 . 1 . . . . . 172 K CB . 52081 1 115 . 1 . 1 12 12 LYS CG C 13 24.729 0.000 . 1 . . . . . 172 K CG . 52081 1 116 . 1 . 1 12 12 LYS CD C 13 28.729 0.000 . 1 . . . . . 172 K CD . 52081 1 117 . 1 . 1 12 12 LYS N N 15 122.821 0.041 . 1 . . . . . 172 K N . 52081 1 118 . 1 . 1 13 13 SER H H 1 8.254 0.001 . 1 . . . . . 173 S H . 52081 1 119 . 1 . 1 13 13 SER HA H 1 4.352 0.000 . 1 . . . . . 173 S HA . 52081 1 120 . 1 . 1 13 13 SER HB2 H 1 3.803 0.000 . 2 . . . . . 173 S QB . 52081 1 121 . 1 . 1 13 13 SER HB3 H 1 3.803 0.000 . 2 . . . . . 173 S QB . 52081 1 122 . 1 . 1 13 13 SER C C 13 174.859 0.004 . 1 . . . . . 173 S C . 52081 1 123 . 1 . 1 13 13 SER CA C 13 58.804 0.000 . 1 . . . . . 173 S CA . 52081 1 124 . 1 . 1 13 13 SER CB C 13 64.156 0.000 . 1 . . . . . 173 S CB . 52081 1 125 . 1 . 1 13 13 SER N N 15 116.205 0.035 . 1 . . . . . 173 S N . 52081 1 126 . 1 . 1 14 14 SER H H 1 8.283 0.001 . 1 . . . . . 174 S H . 52081 1 127 . 1 . 1 14 14 SER HA H 1 4.380 0.000 . 1 . . . . . 174 S HA . 52081 1 128 . 1 . 1 14 14 SER HB2 H 1 3.837 0.000 . 2 . . . . . 174 S QB . 52081 1 129 . 1 . 1 14 14 SER HB3 H 1 3.837 0.000 . 2 . . . . . 174 S QB . 52081 1 130 . 1 . 1 14 14 SER C C 13 174.517 0.005 . 1 . . . . . 174 S C . 52081 1 131 . 1 . 1 14 14 SER CA C 13 58.689 0.000 . 1 . . . . . 174 S CA . 52081 1 132 . 1 . 1 14 14 SER CB C 13 64.179 0.000 . 1 . . . . . 174 S CB . 52081 1 133 . 1 . 1 14 14 SER N N 15 117.918 0.042 . 1 . . . . . 174 S N . 52081 1 134 . 1 . 1 15 15 LEU H H 1 8.127 0.001 . 1 . . . . . 175 L H . 52081 1 135 . 1 . 1 15 15 LEU HA H 1 4.255 0.000 . 1 . . . . . 175 L HA . 52081 1 136 . 1 . 1 15 15 LEU HB2 H 1 1.540 0.000 . 2 . . . . . 175 L QB . 52081 1 137 . 1 . 1 15 15 LEU HB3 H 1 1.540 0.000 . 2 . . . . . 175 L QB . 52081 1 138 . 1 . 1 15 15 LEU HD11 H 1 0.807 0.000 . 2 . . . . . 175 L MD1 . 52081 1 139 . 1 . 1 15 15 LEU HD12 H 1 0.807 0.000 . 2 . . . . . 175 L MD1 . 52081 1 140 . 1 . 1 15 15 LEU HD13 H 1 0.807 0.000 . 2 . . . . . 175 L MD1 . 52081 1 141 . 1 . 1 15 15 LEU HD21 H 1 0.808 0.000 . 2 . . . . . 175 L MD2 . 52081 1 142 . 1 . 1 15 15 LEU HD22 H 1 0.808 0.000 . 2 . . . . . 175 L MD2 . 52081 1 143 . 1 . 1 15 15 LEU HD23 H 1 0.808 0.000 . 2 . . . . . 175 L MD2 . 52081 1 144 . 1 . 1 15 15 LEU C C 13 177.326 0.005 . 1 . . . . . 175 L C . 52081 1 145 . 1 . 1 15 15 LEU CA C 13 55.472 0.000 . 1 . . . . . 175 L CA . 52081 1 146 . 1 . 1 15 15 LEU CB C 13 42.221 0.000 . 1 . . . . . 175 L CB . 52081 1 147 . 1 . 1 15 15 LEU CG C 13 26.804 0.000 . 1 . . . . . 175 L CG . 52081 1 148 . 1 . 1 15 15 LEU CD1 C 13 23.339 0.000 . 2 . . . . . 175 L CD1 . 52081 1 149 . 1 . 1 15 15 LEU CD2 C 13 24.636 0.000 . 2 . . . . . 175 L CD2 . 52081 1 150 . 1 . 1 15 15 LEU N N 15 123.643 0.024 . 1 . . . . . 175 L N . 52081 1 151 . 1 . 1 16 16 ARG H H 1 8.216 0.000 . 1 . . . . . 176 R H . 52081 1 152 . 1 . 1 16 16 ARG HA H 1 4.248 0.000 . 1 . . . . . 176 R HA . 52081 1 153 . 1 . 1 16 16 ARG HB2 H 1 1.724 0.000 . 2 . . . . . 176 R QB . 52081 1 154 . 1 . 1 16 16 ARG HB3 H 1 1.724 0.000 . 2 . . . . . 176 R QB . 52081 1 155 . 1 . 1 16 16 ARG HG2 H 1 1.555 0.000 . 2 . . . . . 176 R QG . 52081 1 156 . 1 . 1 16 16 ARG HG3 H 1 1.555 0.000 . 2 . . . . . 176 R QG . 52081 1 157 . 1 . 1 16 16 ARG HD2 H 1 3.106 0.000 . 2 . . . . . 176 R QD . 52081 1 158 . 1 . 1 16 16 ARG HD3 H 1 3.106 0.000 . 2 . . . . . 176 R QD . 52081 1 159 . 1 . 1 16 16 ARG HE H 1 7.204 0.000 . 1 . . . . . 176 R HE . 52081 1 160 . 1 . 1 16 16 ARG C C 13 176.253 0.004 . 1 . . . . . 176 R C . 52081 1 161 . 1 . 1 16 16 ARG CA C 13 56.834 0.000 . 1 . . . . . 176 R CA . 52081 1 162 . 1 . 1 16 16 ARG CB C 13 30.684 0.000 . 1 . . . . . 176 R CB . 52081 1 163 . 1 . 1 16 16 ARG CG C 13 26.871 0.000 . 1 . . . . . 176 R CG . 52081 1 164 . 1 . 1 16 16 ARG CD C 13 43.323 0.000 . 1 . . . . . 176 R CD . 52081 1 165 . 1 . 1 16 16 ARG N N 15 121.543 0.020 . 1 . . . . . 176 R N . 52081 1 166 . 1 . 1 16 16 ARG NE N 15 84.732 0.000 . 1 . . . . . 176 R NE . 52081 1 167 . 1 . 1 17 17 GLU H H 1 8.441 0.000 . 1 . . . . . 177 E H . 52081 1 168 . 1 . 1 17 17 GLU HA H 1 4.272 0.000 . 1 . . . . . 177 E HA . 52081 1 169 . 1 . 1 17 17 GLU HB2 H 1 1.987 0.000 . 2 . . . . . 177 E HB2 . 52081 1 170 . 1 . 1 17 17 GLU HB3 H 1 1.873 0.000 . 2 . . . . . 177 E HB3 . 52081 1 171 . 1 . 1 17 17 GLU HG2 H 1 2.190 0.000 . 2 . . . . . 177 E QG . 52081 1 172 . 1 . 1 17 17 GLU HG3 H 1 2.190 0.000 . 2 . . . . . 177 E QG . 52081 1 173 . 1 . 1 17 17 GLU C C 13 176.712 0.004 . 1 . . . . . 177 E C . 52081 1 174 . 1 . 1 17 17 GLU CA C 13 56.739 0.000 . 1 . . . . . 177 E CA . 52081 1 175 . 1 . 1 17 17 GLU CB C 13 30.173 0.000 . 1 . . . . . 177 E CB . 52081 1 176 . 1 . 1 17 17 GLU CG C 13 36.129 0.000 . 1 . . . . . 177 E CG . 52081 1 177 . 1 . 1 17 17 GLU N N 15 122.047 0.018 . 1 . . . . . 177 E N . 52081 1 178 . 1 . 1 18 18 THR H H 1 8.255 0.001 . 1 . . . . . 178 T H . 52081 1 179 . 1 . 1 18 18 THR HB H 1 4.367 0.000 . 1 . . . . . 178 T HB . 52081 1 180 . 1 . 1 18 18 THR HG21 H 1 1.119 0.000 . 1 . . . . . 178 T HG1 . 52081 1 181 . 1 . 1 18 18 THR HG22 H 1 1.119 0.000 . 1 . . . . . 178 T HG1 . 52081 1 182 . 1 . 1 18 18 THR HG23 H 1 1.119 0.000 . 1 . . . . . 178 T HG1 . 52081 1 183 . 1 . 1 18 18 THR C C 13 174.849 0.005 . 1 . . . . . 178 T C . 52081 1 184 . 1 . 1 18 18 THR CA C 13 61.769 0.000 . 1 . . . . . 178 T CA . 52081 1 185 . 1 . 1 18 18 THR CB C 13 69.911 0.000 . 1 . . . . . 178 T CB . 52081 1 186 . 1 . 1 18 18 THR CG2 C 13 21.352 0.000 . 1 . . . . . 178 T CG2 . 52081 1 187 . 1 . 1 18 18 THR N N 15 114.939 0.023 . 1 . . . . . 178 T N . 52081 1 188 . 1 . 1 19 19 THR H H 1 8.297 0.001 . 1 . . . . . 179 T H . 52081 1 189 . 1 . 1 19 19 THR C C 13 175.033 0.161 . 1 . . . . . 179 T C . 52081 1 190 . 1 . 1 19 19 THR CA C 13 63.599 0.000 . 1 . . . . . 179 T CA . 52081 1 191 . 1 . 1 19 19 THR CB C 13 68.839 0.000 . 1 . . . . . 179 T CB . 52081 1 192 . 1 . 1 19 19 THR N N 15 115.978 0.057 . 1 . . . . . 179 T N . 52081 1 193 . 1 . 1 20 20 GLY H H 1 8.518 0.001 . 1 . . . . . 180 G H . 52081 1 194 . 1 . 1 20 20 GLY HA2 H 1 3.956 0.000 . 2 . . . . . 180 G QA . 52081 1 195 . 1 . 1 20 20 GLY HA3 H 1 3.956 0.000 . 2 . . . . . 180 G QA . 52081 1 196 . 1 . 1 20 20 GLY C C 13 174.273 0.003 . 1 . . . . . 180 G C . 52081 1 197 . 1 . 1 20 20 GLY CA C 13 45.393 0.000 . 1 . . . . . 180 G CA . 52081 1 198 . 1 . 1 20 20 GLY N N 15 111.428 0.170 . 1 . . . . . 180 G N . 52081 1 199 . 1 . 1 21 21 SER H H 1 8.279 0.001 . 1 . . . . . 181 S H . 52081 1 200 . 1 . 1 21 21 SER HA H 1 4.409 0.000 . 1 . . . . . 181 S HA . 52081 1 201 . 1 . 1 21 21 SER HB2 H 1 3.784 0.000 . 2 . . . . . 181 S HB . 52081 1 202 . 1 . 1 21 21 SER HB3 H 1 3.784 0.000 . 2 . . . . . 181 S HB . 52081 1 203 . 1 . 1 21 21 SER C C 13 174.828 0.004 . 1 . . . . . 181 S C . 52081 1 204 . 1 . 1 21 21 SER CA C 13 58.372 0.000 . 1 . . . . . 181 S CA . 52081 1 205 . 1 . 1 21 21 SER CB C 13 64.586 0.000 . 1 . . . . . 181 S CB . 52081 1 206 . 1 . 1 21 21 SER N N 15 115.774 0.016 . 1 . . . . . 181 S N . 52081 1 207 . 1 . 1 22 22 GLU H H 1 8.660 0.000 . 1 . . . . . 182 E H . 52081 1 208 . 1 . 1 22 22 GLU HA H 1 4.236 0.000 . 1 . . . . . 182 E HA . 52081 1 209 . 1 . 1 22 22 GLU HB2 H 1 1.887 0.000 . 2 . . . . . 182 E HB2 . 52081 1 210 . 1 . 1 22 22 GLU HB3 H 1 2.017 0.000 . 2 . . . . . 182 E HB3 . 52081 1 211 . 1 . 1 22 22 GLU HG2 H 1 2.213 0.000 . 2 . . . . . 182 E QG . 52081 1 212 . 1 . 1 22 22 GLU HG3 H 1 2.213 0.000 . 2 . . . . . 182 E QG . 52081 1 213 . 1 . 1 22 22 GLU C C 13 176.771 0.005 . 1 . . . . . 182 E C . 52081 1 214 . 1 . 1 22 22 GLU CA C 13 57.093 0.000 . 1 . . . . . 182 E CA . 52081 1 215 . 1 . 1 22 22 GLU CB C 13 29.679 0.000 . 1 . . . . . 182 E CB . 52081 1 216 . 1 . 1 22 22 GLU CG C 13 36.096 0.000 . 1 . . . . . 182 E CG . 52081 1 217 . 1 . 1 22 22 GLU N N 15 122.817 0.021 . 1 . . . . . 182 E N . 52081 1 218 . 1 . 1 23 23 SER H H 1 8.316 0.002 . 1 . . . . . 183 S H . 52081 1 219 . 1 . 1 23 23 SER HA H 1 4.379 0.000 . 1 . . . . . 183 S HA . 52081 1 220 . 1 . 1 23 23 SER HB2 H 1 3.787 0.000 . 2 . . . . . 183 S QB . 52081 1 221 . 1 . 1 23 23 SER HB3 H 1 3.787 0.000 . 2 . . . . . 183 S QB . 52081 1 222 . 1 . 1 23 23 SER C C 13 174.445 0.005 . 1 . . . . . 183 S C . 52081 1 223 . 1 . 1 23 23 SER CA C 13 58.397 0.000 . 1 . . . . . 183 S CA . 52081 1 224 . 1 . 1 23 23 SER CB C 13 64.397 0.000 . 1 . . . . . 183 S CB . 52081 1 225 . 1 . 1 23 23 SER N N 15 116.128 0.024 . 1 . . . . . 183 S N . 52081 1 226 . 1 . 1 24 24 ASP H H 1 8.317 0.000 . 1 . . . . . 184 D H . 52081 1 227 . 1 . 1 24 24 ASP HA H 1 4.551 0.000 . 1 . . . . . 184 D HA . 52081 1 228 . 1 . 1 24 24 ASP HB2 H 1 2.636 0.000 . 2 . . . . . 184 D HB . 52081 1 229 . 1 . 1 24 24 ASP HB3 H 1 2.636 0.000 . 2 . . . . . 184 D HB . 52081 1 230 . 1 . 1 24 24 ASP C C 13 176.823 0.004 . 1 . . . . . 184 D C . 52081 1 231 . 1 . 1 24 24 ASP CA C 13 54.418 0.000 . 1 . . . . . 184 D CA . 52081 1 232 . 1 . 1 24 24 ASP CB C 13 41.197 0.000 . 1 . . . . . 184 D CB . 52081 1 233 . 1 . 1 24 24 ASP N N 15 122.538 0.013 . 1 . . . . . 184 D N . 52081 1 234 . 1 . 1 25 25 GLY H H 1 8.370 0.001 . 1 . . . . . 185 G H . 52081 1 235 . 1 . 1 25 25 GLY HA2 H 1 3.888 0.000 . 2 . . . . . 185 G QA . 52081 1 236 . 1 . 1 25 25 GLY HA3 H 1 3.888 0.000 . 2 . . . . . 185 G QA . 52081 1 237 . 1 . 1 25 25 GLY C C 13 174.999 0.003 . 1 . . . . . 185 G C . 52081 1 238 . 1 . 1 25 25 GLY CA C 13 45.556 0.000 . 1 . . . . . 185 G CA . 52081 1 239 . 1 . 1 25 25 GLY N N 15 109.386 0.027 . 1 . . . . . 185 G N . 52081 1 240 . 1 . 1 26 26 GLY H H 1 8.314 0.000 . 1 . . . . . 186 G H . 52081 1 241 . 1 . 1 26 26 GLY HA2 H 1 3.881 0.000 . 2 . . . . . 186 G QA . 52081 1 242 . 1 . 1 26 26 GLY HA3 H 1 3.881 0.000 . 2 . . . . . 186 G QA . 52081 1 243 . 1 . 1 26 26 GLY C C 13 174.043 0.004 . 1 . . . . . 186 G C . 52081 1 244 . 1 . 1 26 26 GLY CA C 13 45.316 0.000 . 1 . . . . . 186 G CA . 52081 1 245 . 1 . 1 26 26 GLY N N 15 108.932 0.017 . 1 . . . . . 186 G N . 52081 1 246 . 1 . 1 27 27 ASP H H 1 8.323 0.001 . 1 . . . . . 187 D H . 52081 1 247 . 1 . 1 27 27 ASP HA H 1 4.581 0.000 . 1 . . . . . 187 D HA . 52081 1 248 . 1 . 1 27 27 ASP HB2 H 1 2.616 0.000 . 2 . . . . . 187 D QB . 52081 1 249 . 1 . 1 27 27 ASP HB3 H 1 2.616 0.000 . 2 . . . . . 187 D QB . 52081 1 250 . 1 . 1 27 27 ASP C C 13 176.763 0.005 . 1 . . . . . 187 D C . 52081 1 251 . 1 . 1 27 27 ASP CA C 13 54.249 0.000 . 1 . . . . . 187 D CA . 52081 1 252 . 1 . 1 27 27 ASP CB C 13 41.282 0.000 . 1 . . . . . 187 D CB . 52081 1 253 . 1 . 1 27 27 ASP N N 15 120.517 0.013 . 1 . . . . . 187 D N . 52081 1 254 . 1 . 1 28 28 SER H H 1 8.427 0.003 . 1 . . . . . 188 S H . 52081 1 255 . 1 . 1 28 28 SER HA H 1 4.391 0.000 . 1 . . . . . 188 S HA . 52081 1 256 . 1 . 1 28 28 SER HB2 H 1 3.838 0.000 . 2 . . . . . 188 S QB . 52081 1 257 . 1 . 1 28 28 SER HB3 H 1 3.838 0.000 . 2 . . . . . 188 S QB . 52081 1 258 . 1 . 1 28 28 SER C C 13 175.067 0.005 . 1 . . . . . 188 S C . 52081 1 259 . 1 . 1 28 28 SER CA C 13 58.813 0.000 . 1 . . . . . 188 S CA . 52081 1 260 . 1 . 1 28 28 SER CB C 13 64.182 0.000 . 1 . . . . . 188 S CB . 52081 1 261 . 1 . 1 28 28 SER N N 15 116.955 0.022 . 1 . . . . . 188 S N . 52081 1 262 . 1 . 1 29 29 SER H H 1 8.412 0.001 . 1 . . . . . 189 S H . 52081 1 263 . 1 . 1 29 29 SER HA H 1 4.364 0.000 . 1 . . . . . 189 S HA . 52081 1 264 . 1 . 1 29 29 SER HB2 H 1 3.861 0.000 . 2 . . . . . 189 S QB . 52081 1 265 . 1 . 1 29 29 SER HB3 H 1 3.861 0.000 . 2 . . . . . 189 S QB . 52081 1 266 . 1 . 1 29 29 SER C C 13 174.970 0.006 . 1 . . . . . 189 S C . 52081 1 267 . 1 . 1 29 29 SER CA C 13 59.115 0.000 . 1 . . . . . 189 S CA . 52081 1 268 . 1 . 1 29 29 SER CB C 13 64.184 0.000 . 1 . . . . . 189 S CB . 52081 1 269 . 1 . 1 29 29 SER N N 15 117.759 0.022 . 1 . . . . . 189 S N . 52081 1 270 . 1 . 1 30 30 SER H H 1 8.281 0.001 . 1 . . . . . 190 S H . 52081 1 271 . 1 . 1 30 30 SER HA H 1 4.430 0.000 . 1 . . . . . 190 S HA . 52081 1 272 . 1 . 1 30 30 SER HB2 H 1 3.821 0.000 . 2 . . . . . 190 S QB . 52081 1 273 . 1 . 1 30 30 SER HB3 H 1 3.821 0.000 . 2 . . . . . 190 S QB . 52081 1 274 . 1 . 1 30 30 SER C C 13 174.933 0.004 . 1 . . . . . 190 S C . 52081 1 275 . 1 . 1 30 30 SER CA C 13 58.767 0.000 . 1 . . . . . 190 S CA . 52081 1 276 . 1 . 1 30 30 SER CB C 13 64.236 0.000 . 1 . . . . . 190 S CB . 52081 1 277 . 1 . 1 30 30 SER N N 15 117.593 0.067 . 1 . . . . . 190 S N . 52081 1 278 . 1 . 1 31 31 THR H H 1 8.119 0.000 . 1 . . . . . 191 T H . 52081 1 279 . 1 . 1 31 31 THR C C 13 174.633 0.003 . 1 . . . . . 191 T C . 52081 1 280 . 1 . 1 31 31 THR CA C 13 62.206 0.000 . 1 . . . . . 191 T CA . 52081 1 281 . 1 . 1 31 31 THR CB C 13 69.704 0.000 . 1 . . . . . 191 T CB . 52081 1 282 . 1 . 1 31 31 THR CG2 C 13 21.532 0.000 . 1 . . . . . 191 T CG2 . 52081 1 283 . 1 . 1 31 31 THR N N 15 115.850 0.035 . 1 . . . . . 191 T N . 52081 1 284 . 1 . 1 32 32 LYS H H 1 8.266 0.001 . 1 . . . . . 192 K H . 52081 1 285 . 1 . 1 32 32 LYS HA H 1 4.289 0.000 . 1 . . . . . 192 K HA . 52081 1 286 . 1 . 1 32 32 LYS HB2 H 1 1.751 0.000 . 2 . . . . . 192 K QB . 52081 1 287 . 1 . 1 32 32 LYS HB3 H 1 1.751 0.000 . 2 . . . . . 192 K QB . 52081 1 288 . 1 . 1 32 32 LYS HG2 H 1 1.348 0.000 . 4 . . . . . 192 K QG . 52081 1 289 . 1 . 1 32 32 LYS HG3 H 1 1.348 0.000 . 2 . . . . . 192 K QG . 52081 1 290 . 1 . 1 32 32 LYS HD2 H 1 1.585 0.000 . 4 . . . . . 192 K QD . 52081 1 291 . 1 . 1 32 32 LYS HD3 H 1 1.585 0.000 . 2 . . . . . 192 K QD . 52081 1 292 . 1 . 1 32 32 LYS HE2 H 1 2.900 0.000 . 2 . . . . . 192 K QE . 52081 1 293 . 1 . 1 32 32 LYS HE3 H 1 2.900 0.000 . 2 . . . . . 192 K QE . 52081 1 294 . 1 . 1 32 32 LYS C C 13 176.558 0.006 . 1 . . . . . 192 K C . 52081 1 295 . 1 . 1 32 32 LYS CA C 13 56.389 0.000 . 1 . . . . . 192 K CA . 52081 1 296 . 1 . 1 32 32 LYS CB C 13 32.911 0.000 . 1 . . . . . 192 K CB . 52081 1 297 . 1 . 1 32 32 LYS CG C 13 24.568 0.000 . 1 . . . . . 192 K CG . 52081 1 298 . 1 . 1 32 32 LYS CD C 13 30.928 0.000 . 1 . . . . . 192 K CD . 52081 1 299 . 1 . 1 32 32 LYS N N 15 123.827 0.016 . 1 . . . . . 192 K N . 52081 1 300 . 1 . 1 33 33 SER H H 1 8.349 0.002 . 1 . . . . . 193 S H . 52081 1 301 . 1 . 1 33 33 SER HA H 1 4.373 0.000 . 1 . . . . . 193 S HA . 52081 1 302 . 1 . 1 33 33 SER C C 13 174.639 0.008 . 1 . . . . . 193 S C . 52081 1 303 . 1 . 1 33 33 SER CA C 13 58.369 0.000 . 1 . . . . . 193 S CA . 52081 1 304 . 1 . 1 33 33 SER CB C 13 64.302 0.000 . 1 . . . . . 193 S CB . 52081 1 305 . 1 . 1 33 33 SER N N 15 117.340 0.034 . 1 . . . . . 193 S N . 52081 1 306 . 1 . 1 34 34 GLU H H 1 8.503 0.000 . 1 . . . . . 194 E H . 52081 1 307 . 1 . 1 34 34 GLU HA H 1 4.237 0.000 . 1 . . . . . 194 E HA . 52081 1 308 . 1 . 1 34 34 GLU HB2 H 1 1.988 0.000 . 2 . . . . . 194 E HB2 . 52081 1 309 . 1 . 1 34 34 GLU HB3 H 1 1.870 0.000 . 2 . . . . . 194 E HB3 . 52081 1 310 . 1 . 1 34 34 GLU HG2 H 1 2.184 0.000 . 2 . . . . . 194 E QG . 52081 1 311 . 1 . 1 34 34 GLU HG3 H 1 2.184 0.000 . 2 . . . . . 194 E QG . 52081 1 312 . 1 . 1 34 34 GLU C C 13 177.001 0.005 . 1 . . . . . 194 E C . 52081 1 313 . 1 . 1 34 34 GLU CA C 13 56.881 0.000 . 1 . . . . . 194 E CA . 52081 1 314 . 1 . 1 34 34 GLU CB C 13 30.071 0.000 . 1 . . . . . 194 E CB . 52081 1 315 . 1 . 1 34 34 GLU CG C 13 36.011 0.000 . 1 . . . . . 194 E CG . 52081 1 316 . 1 . 1 34 34 GLU N N 15 123.140 0.033 . 1 . . . . . 194 E N . 52081 1 317 . 1 . 1 35 35 GLY H H 1 8.399 0.000 . 1 . . . . . 195 G H . 52081 1 318 . 1 . 1 35 35 GLY HA2 H 1 3.863 0.000 . 2 . . . . . 195 G QA . 52081 1 319 . 1 . 1 35 35 GLY HA3 H 1 3.863 0.000 . 2 . . . . . 195 G QA . 52081 1 320 . 1 . 1 35 35 GLY C C 13 174.113 0.004 . 1 . . . . . 195 G C . 52081 1 321 . 1 . 1 35 35 GLY CA C 13 45.299 0.000 . 1 . . . . . 195 G CA . 52081 1 322 . 1 . 1 35 35 GLY N N 15 109.859 0.013 . 1 . . . . . 195 G N . 52081 1 323 . 1 . 1 36 36 ALA H H 1 8.201 0.000 . 1 . . . . . 196 A H . 52081 1 324 . 1 . 1 36 36 ALA HA H 1 4.241 0.000 . 1 . . . . . 196 A HA . 52081 1 325 . 1 . 1 36 36 ALA HB1 H 1 1.296 0.000 . 1 . . . . . 196 A MB . 52081 1 326 . 1 . 1 36 36 ALA HB2 H 1 1.296 0.000 . 1 . . . . . 196 A MB . 52081 1 327 . 1 . 1 36 36 ALA HB3 H 1 1.296 0.000 . 1 . . . . . 196 A MB . 52081 1 328 . 1 . 1 36 36 ALA C C 13 177.784 0.005 . 1 . . . . . 196 A C . 52081 1 329 . 1 . 1 36 36 ALA CA C 13 52.841 0.000 . 1 . . . . . 196 A CA . 52081 1 330 . 1 . 1 36 36 ALA CB C 13 19.073 0.000 . 1 . . . . . 196 A CB . 52081 1 331 . 1 . 1 36 36 ALA N N 15 123.813 0.013 . 1 . . . . . 196 A N . 52081 1 332 . 1 . 1 37 37 ASN H H 1 8.457 0.001 . 1 . . . . . 197 N H . 52081 1 333 . 1 . 1 37 37 ASN HA H 1 4.625 0.000 . 1 . . . . . 197 N HA . 52081 1 334 . 1 . 1 37 37 ASN HB2 H 1 2.731 0.000 . 2 . . . . . 197 N QB . 52081 1 335 . 1 . 1 37 37 ASN HB3 H 1 2.731 0.000 . 2 . . . . . 197 N QB . 52081 1 336 . 1 . 1 37 37 ASN C C 13 175.761 0.004 . 1 . . . . . 197 N C . 52081 1 337 . 1 . 1 37 37 ASN CA C 13 53.379 0.000 . 1 . . . . . 197 N CA . 52081 1 338 . 1 . 1 37 37 ASN CB C 13 38.845 0.000 . 1 . . . . . 197 N CB . 52081 1 339 . 1 . 1 37 37 ASN N N 15 117.669 0.016 . 1 . . . . . 197 N N . 52081 1 340 . 1 . 1 38 38 GLY H H 1 8.309 0.001 . 1 . . . . . 198 G H . 52081 1 341 . 1 . 1 38 38 GLY HA2 H 1 3.907 0.000 . 2 . . . . . 198 G QA . 52081 1 342 . 1 . 1 38 38 GLY HA3 H 1 3.907 0.000 . 2 . . . . . 198 G QA . 52081 1 343 . 1 . 1 38 38 GLY C C 13 174.318 0.003 . 1 . . . . . 198 G C . 52081 1 344 . 1 . 1 38 38 GLY CA C 13 45.510 0.000 . 1 . . . . . 198 G CA . 52081 1 345 . 1 . 1 38 38 GLY N N 15 109.030 0.013 . 1 . . . . . 198 G N . 52081 1 346 . 1 . 1 39 39 THR H H 1 8.058 0.000 . 1 . . . . . 199 T H . 52081 1 347 . 1 . 1 39 39 THR HA H 1 4.386 0.000 . 1 . . . . . 199 T HA . 52081 1 348 . 1 . 1 39 39 THR HB H 1 3.812 0.000 . 1 . . . . . 199 T HB . 52081 1 349 . 1 . 1 39 39 THR C C 13 174.614 0.014 . 1 . . . . . 199 T C . 52081 1 350 . 1 . 1 39 39 THR CA C 13 62.151 0.000 . 1 . . . . . 199 T CA . 52081 1 351 . 1 . 1 39 39 THR CB C 13 70.047 0.000 . 1 . . . . . 199 T CB . 52081 1 352 . 1 . 1 39 39 THR CG2 C 13 21.409 0.000 . 1 . . . . . 199 T CG2 . 52081 1 353 . 1 . 1 39 39 THR N N 15 114.214 0.015 . 1 . . . . . 199 T N . 52081 1 354 . 1 . 1 40 40 VAL H H 1 8.172 0.001 . 1 . . . . . 200 V H . 52081 1 355 . 1 . 1 40 40 VAL HA H 1 4.039 0.000 . 1 . . . . . 200 V HA . 52081 1 356 . 1 . 1 40 40 VAL HB H 1 1.982 0.000 . 1 . . . . . 200 V HB . 52081 1 357 . 1 . 1 40 40 VAL HG11 H 1 0.849 0.000 . 2 . . . . . 200 V QG . 52081 1 358 . 1 . 1 40 40 VAL HG12 H 1 0.849 0.000 . 2 . . . . . 200 V QG . 52081 1 359 . 1 . 1 40 40 VAL HG13 H 1 0.849 0.000 . 2 . . . . . 200 V QG . 52081 1 360 . 1 . 1 40 40 VAL HG21 H 1 0.849 0.000 . 2 . . . . . 200 V QG . 52081 1 361 . 1 . 1 40 40 VAL HG22 H 1 0.849 0.000 . 2 . . . . . 200 V QG . 52081 1 362 . 1 . 1 40 40 VAL HG23 H 1 0.849 0.000 . 2 . . . . . 200 V QG . 52081 1 363 . 1 . 1 40 40 VAL C C 13 175.921 0.012 . 1 . . . . . 200 V C . 52081 1 364 . 1 . 1 40 40 VAL CA C 13 62.301 0.000 . 1 . . . . . 200 V CA . 52081 1 365 . 1 . 1 40 40 VAL CB C 13 32.679 0.000 . 1 . . . . . 200 V CB . 52081 1 366 . 1 . 1 40 40 VAL CG1 C 13 20.713 0.000 . 1 . . . . . 200 V CG1 . 52081 1 367 . 1 . 1 40 40 VAL CG2 C 13 20.392 0.000 . 1 . . . . . 200 V CG2 . 52081 1 368 . 1 . 1 40 40 VAL N N 15 122.818 0.060 . 1 . . . . . 200 V N . 52081 1 369 . 1 . 1 41 41 ALA H H 1 8.433 0.000 . 1 . . . . . 201 A H . 52081 1 370 . 1 . 1 41 41 ALA HA H 1 4.282 0.000 . 1 . . . . . 201 A HA . 52081 1 371 . 1 . 1 41 41 ALA HB1 H 1 1.312 0.000 . 1 . . . . . 201 A MB . 52081 1 372 . 1 . 1 41 41 ALA HB2 H 1 1.312 0.000 . 1 . . . . . 201 A MB . 52081 1 373 . 1 . 1 41 41 ALA HB3 H 1 1.312 0.000 . 1 . . . . . 201 A MB . 52081 1 374 . 1 . 1 41 41 ALA C C 13 177.899 0.005 . 1 . . . . . 201 A C . 52081 1 375 . 1 . 1 41 41 ALA CA C 13 52.769 0.000 . 1 . . . . . 201 A CA . 52081 1 376 . 1 . 1 41 41 ALA CB C 13 19.150 0.000 . 1 . . . . . 201 A CB . 52081 1 377 . 1 . 1 41 41 ALA N N 15 128.084 0.013 . 1 . . . . . 201 A N . 52081 1 378 . 1 . 1 42 42 THR H H 1 8.050 0.001 . 1 . . . . . 202 T H . 52081 1 379 . 1 . 1 42 42 THR HB H 1 4.179 0.000 . 1 . . . . . 202 T HB . 52081 1 380 . 1 . 1 42 42 THR HG21 H 1 1.123 0.000 . 1 . . . . . 202 T HG1 . 52081 1 381 . 1 . 1 42 42 THR HG22 H 1 1.123 0.000 . 1 . . . . . 202 T HG1 . 52081 1 382 . 1 . 1 42 42 THR HG23 H 1 1.123 0.000 . 1 . . . . . 202 T HG1 . 52081 1 383 . 1 . 1 42 42 THR C C 13 174.320 0.005 . 1 . . . . . 202 T C . 52081 1 384 . 1 . 1 42 42 THR CA C 13 61.989 0.000 . 1 . . . . . 202 T CA . 52081 1 385 . 1 . 1 42 42 THR CB C 13 69.849 0.000 . 1 . . . . . 202 T CB . 52081 1 386 . 1 . 1 42 42 THR CG2 C 13 21.463 0.000 . 1 . . . . . 202 T CG2 . 52081 1 387 . 1 . 1 42 42 THR N N 15 113.655 0.015 . 1 . . . . . 202 T N . 52081 1 388 . 1 . 1 43 43 ALA H H 1 8.210 0.000 . 1 . . . . . 203 A H . 52081 1 389 . 1 . 1 43 43 ALA HA H 1 4.214 0.000 . 1 . . . . . 203 A HA . 52081 1 390 . 1 . 1 43 43 ALA HB1 H 1 1.291 0.000 . 1 . . . . . 203 A MB . 52081 1 391 . 1 . 1 43 43 ALA HB2 H 1 1.291 0.000 . 1 . . . . . 203 A MB . 52081 1 392 . 1 . 1 43 43 ALA HB3 H 1 1.291 0.000 . 1 . . . . . 203 A MB . 52081 1 393 . 1 . 1 43 43 ALA C C 13 177.279 0.005 . 1 . . . . . 203 A C . 52081 1 394 . 1 . 1 43 43 ALA CA C 13 52.542 0.000 . 1 . . . . . 203 A CA . 52081 1 395 . 1 . 1 43 43 ALA CB C 13 19.191 0.000 . 1 . . . . . 203 A CB . 52081 1 396 . 1 . 1 43 43 ALA N N 15 126.295 0.012 . 1 . . . . . 203 A N . 52081 1 397 . 1 . 1 44 44 ALA H H 1 8.186 0.001 . 1 . . . . . 204 A H . 52081 1 398 . 1 . 1 44 44 ALA HA H 1 4.210 0.000 . 1 . . . . . 204 A HA . 52081 1 399 . 1 . 1 44 44 ALA HB1 H 1 1.272 0.000 . 1 . . . . . 204 A MB . 52081 1 400 . 1 . 1 44 44 ALA HB2 H 1 1.272 0.000 . 1 . . . . . 204 A MB . 52081 1 401 . 1 . 1 44 44 ALA HB3 H 1 1.272 0.000 . 1 . . . . . 204 A MB . 52081 1 402 . 1 . 1 44 44 ALA C C 13 177.577 0.004 . 1 . . . . . 204 A C . 52081 1 403 . 1 . 1 44 44 ALA CA C 13 52.455 0.000 . 1 . . . . . 204 A CA . 52081 1 404 . 1 . 1 44 44 ALA CB C 13 19.074 0.000 . 1 . . . . . 204 A CB . 52081 1 405 . 1 . 1 44 44 ALA N N 15 123.278 0.019 . 1 . . . . . 204 A N . 52081 1 406 . 1 . 1 45 45 ILE H H 1 8.027 0.001 . 1 . . . . . 205 I H . 52081 1 407 . 1 . 1 45 45 ILE HA H 1 4.042 0.000 . 1 . . . . . 205 I HA . 52081 1 408 . 1 . 1 45 45 ILE HB H 1 1.733 0.000 . 1 . . . . . 205 I HB . 52081 1 409 . 1 . 1 45 45 ILE HG12 H 1 1.381 0.000 . 2 . . . . . 205 I HG12 . 52081 1 410 . 1 . 1 45 45 ILE HG13 H 1 1.093 0.000 . 2 . . . . . 205 I HG13 . 52081 1 411 . 1 . 1 45 45 ILE HD11 H 1 0.776 0.000 . 1 . . . . . 205 I MD . 52081 1 412 . 1 . 1 45 45 ILE HD12 H 1 0.776 0.000 . 1 . . . . . 205 I MD . 52081 1 413 . 1 . 1 45 45 ILE HD13 H 1 0.776 0.000 . 1 . . . . . 205 I MD . 52081 1 414 . 1 . 1 45 45 ILE C C 13 176.097 0.004 . 1 . . . . . 205 I C . 52081 1 415 . 1 . 1 45 45 ILE CA C 13 60.930 0.000 . 1 . . . . . 205 I CA . 52081 1 416 . 1 . 1 45 45 ILE CB C 13 38.638 0.000 . 1 . . . . . 205 I CB . 52081 1 417 . 1 . 1 45 45 ILE CG1 C 13 27.112 0.000 . 1 . . . . . 205 I CG1 . 52081 1 418 . 1 . 1 45 45 ILE CG2 C 13 17.300 0.000 . 1 . . . . . 205 I CG2 . 52081 1 419 . 1 . 1 45 45 ILE CD1 C 13 13.040 0.000 . 1 . . . . . 205 I CD1 . 52081 1 420 . 1 . 1 45 45 ILE N N 15 120.157 0.019 . 1 . . . . . 205 I N . 52081 1 421 . 1 . 1 46 46 GLN H H 1 8.416 0.002 . 1 . . . . . 206 Q H . 52081 1 422 . 1 . 1 46 46 GLN HA H 1 4.530 0.000 . 1 . . . . . 206 Q HA . 52081 1 423 . 1 . 1 46 46 GLN HB2 H 1 1.842 0.000 . 2 . . . . . 206 Q HB2 . 52081 1 424 . 1 . 1 46 46 GLN HB3 H 1 1.993 0.000 . 2 . . . . . 206 Q HB3 . 52081 1 425 . 1 . 1 46 46 GLN HG2 H 1 2.299 0.000 . 2 . . . . . 206 Q QG . 52081 1 426 . 1 . 1 46 46 GLN HG3 H 1 2.299 0.000 . 2 . . . . . 206 Q QG . 52081 1 427 . 1 . 1 46 46 GLN C C 13 173.827 0.004 . 1 . . . . . 206 Q C . 52081 1 428 . 1 . 1 46 46 GLN CA C 13 53.519 0.000 . 1 . . . . . 206 Q CA . 52081 1 429 . 1 . 1 46 46 GLN CB C 13 28.867 0.000 . 1 . . . . . 206 Q CB . 52081 1 430 . 1 . 1 46 46 GLN CG C 13 33.383 0.000 . 1 . . . . . 206 Q CG . 52081 1 431 . 1 . 1 46 46 GLN N N 15 125.888 0.019 . 1 . . . . . 206 Q N . 52081 1 432 . 1 . 1 47 47 PRO HA H 1 4.317 0.000 . 1 . . . . . 207 P HA . 52081 1 433 . 1 . 1 47 47 PRO HB2 H 1 2.199 0.000 . 2 . . . . . 207 P QB . 52081 1 434 . 1 . 1 47 47 PRO HB3 H 1 2.199 0.000 . 2 . . . . . 207 P QB . 52081 1 435 . 1 . 1 47 47 PRO HG2 H 1 1.913 0.000 . 2 . . . . . 207 P HG2 . 52081 1 436 . 1 . 1 47 47 PRO HG3 H 1 1.772 0.000 . 2 . . . . . 207 P HG3 . 52081 1 437 . 1 . 1 47 47 PRO HD2 H 1 3.717 0.000 . 2 . . . . . 207 P HD2 . 52081 1 438 . 1 . 1 47 47 PRO HD3 H 1 3.568 0.000 . 2 . . . . . 207 P HD3 . 52081 1 439 . 1 . 1 47 47 PRO C C 13 176.739 0.015 . 1 . . . . . 207 P C . 52081 1 440 . 1 . 1 47 47 PRO CA C 13 63.069 0.000 . 1 . . . . . 207 P CA . 52081 1 441 . 1 . 1 47 47 PRO CB C 13 32.153 0.000 . 1 . . . . . 207 P CB . 52081 1 442 . 1 . 1 47 47 PRO CG C 13 27.407 0.000 . 1 . . . . . 207 P CG . 52081 1 443 . 1 . 1 47 47 PRO CD C 13 50.708 0.000 . 1 . . . . . 207 P CD . 52081 1 444 . 1 . 1 47 47 PRO N N 15 136.983 0.026 . 1 . . . . . 207 P N . 52081 1 445 . 1 . 1 48 48 LYS H H 1 8.378 0.003 . 1 . . . . . 208 K H . 52081 1 446 . 1 . 1 48 48 LYS HA H 1 4.175 0.000 . 1 . . . . . 208 K HA . 52081 1 447 . 1 . 1 48 48 LYS HB2 H 1 1.671 0.000 . 2 . . . . . 208 K QB . 52081 1 448 . 1 . 1 48 48 LYS HB3 H 1 1.671 0.000 . 2 . . . . . 208 K QB . 52081 1 449 . 1 . 1 48 48 LYS HG2 H 1 1.365 0.000 . 4 . . . . . 208 K QG . 52081 1 450 . 1 . 1 48 48 LYS HG3 H 1 1.365 0.000 . 2 . . . . . 208 K QG . 52081 1 451 . 1 . 1 48 48 LYS HD2 H 1 1.577 0.000 . 4 . . . . . 208 K QD . 52081 1 452 . 1 . 1 48 48 LYS HD3 H 1 1.577 0.000 . 2 . . . . . 208 K QD . 52081 1 453 . 1 . 1 48 48 LYS HE2 H 1 2.883 0.000 . 2 . . . . . 208 K QE . 52081 1 454 . 1 . 1 48 48 LYS HE3 H 1 2.883 0.000 . 2 . . . . . 208 K QE . 52081 1 455 . 1 . 1 48 48 LYS C C 13 176.540 0.004 . 1 . . . . . 208 K C . 52081 1 456 . 1 . 1 48 48 LYS CA C 13 56.336 0.000 . 1 . . . . . 208 K CA . 52081 1 457 . 1 . 1 48 48 LYS CB C 13 33.021 0.000 . 1 . . . . . 208 K CB . 52081 1 458 . 1 . 1 48 48 LYS CG C 13 24.715 0.000 . 1 . . . . . 208 K CG . 52081 1 459 . 1 . 1 48 48 LYS N N 15 121.709 0.043 . 1 . . . . . 208 K N . 52081 1 460 . 1 . 1 49 49 LYS H H 1 8.337 0.002 . 1 . . . . . 209 K H . 52081 1 461 . 1 . 1 49 49 LYS HA H 1 4.242 0.000 . 1 . . . . . 209 K HA . 52081 1 462 . 1 . 1 49 49 LYS HB2 H 1 1.666 0.000 . 2 . . . . . 209 K QB . 52081 1 463 . 1 . 1 49 49 LYS HB3 H 1 1.666 0.000 . 2 . . . . . 209 K QB . 52081 1 464 . 1 . 1 49 49 LYS HG2 H 1 1.294 0.000 . 4 . . . . . 209 K QG . 52081 1 465 . 1 . 1 49 49 LYS HG3 H 1 1.294 0.000 . 2 . . . . . 209 K QG . 52081 1 466 . 1 . 1 49 49 LYS HD2 H 1 1.576 0.000 . 4 . . . . . 209 K QD . 52081 1 467 . 1 . 1 49 49 LYS HD3 H 1 1.576 0.000 . 2 . . . . . 209 K QD . 52081 1 468 . 1 . 1 49 49 LYS HE2 H 1 2.873 0.000 . 2 . . . . . 209 K QE . 52081 1 469 . 1 . 1 49 49 LYS HE3 H 1 2.873 0.000 . 2 . . . . . 209 K QE . 52081 1 470 . 1 . 1 49 49 LYS C C 13 176.323 0.004 . 1 . . . . . 209 K C . 52081 1 471 . 1 . 1 49 49 LYS CA C 13 56.207 0.000 . 1 . . . . . 209 K CA . 52081 1 472 . 1 . 1 49 49 LYS CB C 13 33.037 0.000 . 1 . . . . . 209 K CB . 52081 1 473 . 1 . 1 49 49 LYS CG C 13 24.707 0.000 . 1 . . . . . 209 K CG . 52081 1 474 . 1 . 1 49 49 LYS N N 15 123.176 0.027 . 1 . . . . . 209 K N . 52081 1 475 . 1 . 1 50 50 VAL H H 1 8.184 0.002 . 1 . . . . . 210 V H . 52081 1 476 . 1 . 1 50 50 VAL HA H 1 4.012 0.000 . 1 . . . . . 210 V HA . 52081 1 477 . 1 . 1 50 50 VAL HB H 1 1.943 0.000 . 1 . . . . . 210 V HB . 52081 1 478 . 1 . 1 50 50 VAL HG11 H 1 0.813 0.000 . 2 . . . . . 210 V QG . 52081 1 479 . 1 . 1 50 50 VAL HG12 H 1 0.813 0.000 . 2 . . . . . 210 V QG . 52081 1 480 . 1 . 1 50 50 VAL HG13 H 1 0.813 0.000 . 2 . . . . . 210 V QG . 52081 1 481 . 1 . 1 50 50 VAL HG21 H 1 0.813 0.000 . 2 . . . . . 210 V QG . 52081 1 482 . 1 . 1 50 50 VAL HG22 H 1 0.813 0.000 . 2 . . . . . 210 V QG . 52081 1 483 . 1 . 1 50 50 VAL HG23 H 1 0.813 0.000 . 2 . . . . . 210 V QG . 52081 1 484 . 1 . 1 50 50 VAL C C 13 175.888 0.004 . 1 . . . . . 210 V C . 52081 1 485 . 1 . 1 50 50 VAL CA C 13 62.052 0.000 . 1 . . . . . 210 V CA . 52081 1 486 . 1 . 1 50 50 VAL CB C 13 32.843 0.000 . 1 . . . . . 210 V CB . 52081 1 487 . 1 . 1 50 50 VAL CG1 C 13 19.915 0.000 . 1 . . . . . 210 V CG1 . 52081 1 488 . 1 . 1 50 50 VAL CG2 C 13 20.749 0.000 . 1 . . . . . 210 V CG2 . 52081 1 489 . 1 . 1 50 50 VAL N N 15 122.130 0.060 . 1 . . . . . 210 V N . 52081 1 490 . 1 . 1 51 51 LYS H H 1 8.410 0.001 . 1 . . . . . 211 K H . 52081 1 491 . 1 . 1 51 51 LYS HA H 1 4.185 0.000 . 1 . . . . . 211 K HA . 52081 1 492 . 1 . 1 51 51 LYS HB2 H 1 1.678 0.000 . 2 . . . . . 211 K QB . 52081 1 493 . 1 . 1 51 51 LYS HB3 H 1 1.678 0.000 . 2 . . . . . 211 K QB . 52081 1 494 . 1 . 1 51 51 LYS HG2 H 1 1.318 0.000 . 4 . . . . . 211 K QG . 52081 1 495 . 1 . 1 51 51 LYS HG3 H 1 1.318 0.000 . 2 . . . . . 211 K QG . 52081 1 496 . 1 . 1 51 51 LYS HD2 H 1 1.550 0.000 . 4 . . . . . 211 K QD . 52081 1 497 . 1 . 1 51 51 LYS HD3 H 1 1.550 0.000 . 2 . . . . . 211 K QD . 52081 1 498 . 1 . 1 51 51 LYS HE2 H 1 2.862 0.000 . 2 . . . . . 211 K QE . 52081 1 499 . 1 . 1 51 51 LYS HE3 H 1 2.862 0.000 . 2 . . . . . 211 K QE . 52081 1 500 . 1 . 1 51 51 LYS C C 13 176.778 0.004 . 1 . . . . . 211 K C . 52081 1 501 . 1 . 1 51 51 LYS CA C 13 56.583 0.000 . 1 . . . . . 211 K CA . 52081 1 502 . 1 . 1 51 51 LYS CB C 13 33.079 0.000 . 1 . . . . . 211 K CB . 52081 1 503 . 1 . 1 51 51 LYS CG C 13 24.641 0.000 . 1 . . . . . 211 K CG . 52081 1 504 . 1 . 1 51 51 LYS N N 15 125.551 0.015 . 1 . . . . . 211 K N . 52081 1 505 . 1 . 1 52 52 GLY H H 1 8.392 0.000 . 1 . . . . . 212 G H . 52081 1 506 . 1 . 1 52 52 GLY HA2 H 1 3.875 0.000 . 2 . . . . . 212 G QA . 52081 1 507 . 1 . 1 52 52 GLY HA3 H 1 3.875 0.000 . 2 . . . . . 212 G QA . 52081 1 508 . 1 . 1 52 52 GLY C C 13 173.904 0.004 . 1 . . . . . 212 G C . 52081 1 509 . 1 . 1 52 52 GLY CA C 13 45.130 0.000 . 1 . . . . . 212 G CA . 52081 1 510 . 1 . 1 52 52 GLY N N 15 110.547 0.020 . 1 . . . . . 212 G N . 52081 1 511 . 1 . 1 53 53 VAL H H 1 8.050 0.001 . 1 . . . . . 213 V H . 52081 1 512 . 1 . 1 53 53 VAL HA H 1 4.053 0.000 . 1 . . . . . 213 V HA . 52081 1 513 . 1 . 1 53 53 VAL HB H 1 1.979 0.000 . 1 . . . . . 213 V HB . 52081 1 514 . 1 . 1 53 53 VAL HG11 H 1 0.812 0.000 . 2 . . . . . 213 V QG . 52081 1 515 . 1 . 1 53 53 VAL HG12 H 1 0.812 0.000 . 2 . . . . . 213 V QG . 52081 1 516 . 1 . 1 53 53 VAL HG13 H 1 0.812 0.000 . 2 . . . . . 213 V QG . 52081 1 517 . 1 . 1 53 53 VAL HG21 H 1 0.812 0.000 . 2 . . . . . 213 V QG . 52081 1 518 . 1 . 1 53 53 VAL HG22 H 1 0.812 0.000 . 2 . . . . . 213 V QG . 52081 1 519 . 1 . 1 53 53 VAL HG23 H 1 0.812 0.000 . 2 . . . . . 213 V QG . 52081 1 520 . 1 . 1 53 53 VAL C C 13 176.619 0.004 . 1 . . . . . 213 V C . 52081 1 521 . 1 . 1 53 53 VAL CA C 13 62.367 0.000 . 1 . . . . . 213 V CA . 52081 1 522 . 1 . 1 53 53 VAL CB C 13 32.627 0.000 . 1 . . . . . 213 V CB . 52081 1 523 . 1 . 1 53 53 VAL CG1 C 13 19.881 0.000 . 1 . . . . . 213 V CG1 . 52081 1 524 . 1 . 1 53 53 VAL CG2 C 13 20.714 0.000 . 1 . . . . . 213 V CG2 . 52081 1 525 . 1 . 1 53 53 VAL N N 15 118.989 0.020 . 1 . . . . . 213 V N . 52081 1 526 . 1 . 1 54 54 GLY H H 1 8.486 0.001 . 1 . . . . . 214 G H . 52081 1 527 . 1 . 1 54 54 GLY HA2 H 1 3.784 0.000 . 2 . . . . . 214 G QA . 52081 1 528 . 1 . 1 54 54 GLY HA3 H 1 3.784 0.000 . 2 . . . . . 214 G QA . 52081 1 529 . 1 . 1 54 54 GLY C C 13 173.923 0.004 . 1 . . . . . 214 G C . 52081 1 530 . 1 . 1 54 54 GLY CA C 13 45.030 0.000 . 1 . . . . . 214 G CA . 52081 1 531 . 1 . 1 54 54 GLY N N 15 112.348 0.046 . 1 . . . . . 214 G N . 52081 1 532 . 1 . 1 55 55 PHE H H 1 8.183 0.001 . 1 . . . . . 215 F H . 52081 1 533 . 1 . 1 55 55 PHE HA H 1 4.504 0.000 . 1 . . . . . 215 F HA . 52081 1 534 . 1 . 1 55 55 PHE HB2 H 1 3.077 0.000 . 2 . . . . . 215 F HB2 . 52081 1 535 . 1 . 1 55 55 PHE HB3 H 1 2.919 0.000 . 2 . . . . . 215 F HB3 . 52081 1 536 . 1 . 1 55 55 PHE C C 13 176.344 0.004 . 1 . . . . . 215 F C . 52081 1 537 . 1 . 1 55 55 PHE CA C 13 58.171 0.000 . 1 . . . . . 215 F CA . 52081 1 538 . 1 . 1 55 55 PHE CB C 13 39.585 0.000 . 1 . . . . . 215 F CB . 52081 1 539 . 1 . 1 55 55 PHE N N 15 120.129 0.030 . 1 . . . . . 215 F N . 52081 1 540 . 1 . 1 56 56 GLY H H 1 8.425 0.001 . 1 . . . . . 216 G H . 52081 1 541 . 1 . 1 56 56 GLY HA2 H 1 3.835 0.000 . 2 . . . . . 216 G QA . 52081 1 542 . 1 . 1 56 56 GLY HA3 H 1 3.835 0.000 . 2 . . . . . 216 G QA . 52081 1 543 . 1 . 1 56 56 GLY C C 13 173.878 0.004 . 1 . . . . . 216 G C . 52081 1 544 . 1 . 1 56 56 GLY CA C 13 45.347 0.000 . 1 . . . . . 216 G CA . 52081 1 545 . 1 . 1 56 56 GLY N N 15 110.055 0.017 . 1 . . . . . 216 G N . 52081 1 546 . 1 . 1 57 57 ASP H H 1 8.166 0.001 . 1 . . . . . 217 D H . 52081 1 547 . 1 . 1 57 57 ASP HA H 1 4.507 0.000 . 1 . . . . . 217 D HA . 52081 1 548 . 1 . 1 57 57 ASP HB2 H 1 2.544 0.000 . 2 . . . . . 217 D QB . 52081 1 549 . 1 . 1 57 57 ASP HB3 H 1 2.544 0.000 . 2 . . . . . 217 D QB . 52081 1 550 . 1 . 1 57 57 ASP C C 13 176.516 0.004 . 1 . . . . . 217 D C . 52081 1 551 . 1 . 1 57 57 ASP CA C 13 54.458 0.000 . 1 . . . . . 217 D CA . 52081 1 552 . 1 . 1 57 57 ASP CB C 13 41.239 0.000 . 1 . . . . . 217 D CB . 52081 1 553 . 1 . 1 57 57 ASP N N 15 120.665 0.014 . 1 . . . . . 217 D N . 52081 1 554 . 1 . 1 58 58 ILE H H 1 7.905 0.000 . 1 . . . . . 218 I H . 52081 1 555 . 1 . 1 58 58 ILE HA H 1 3.968 0.000 . 1 . . . . . 218 I HA . 52081 1 556 . 1 . 1 58 58 ILE HB H 1 1.654 0.000 . 1 . . . . . 218 I HB . 52081 1 557 . 1 . 1 58 58 ILE HG12 H 1 0.626 0.000 . 2 . . . . . 218 I HG12 . 52081 1 558 . 1 . 1 58 58 ILE HG13 H 1 1.074 0.000 . 2 . . . . . 218 I HG13 . 52081 1 559 . 1 . 1 58 58 ILE C C 13 176.080 0.007 . 1 . . . . . 218 I C . 52081 1 560 . 1 . 1 58 58 ILE CA C 13 61.848 0.000 . 1 . . . . . 218 I CA . 52081 1 561 . 1 . 1 58 58 ILE CB C 13 38.543 0.000 . 1 . . . . . 218 I CB . 52081 1 562 . 1 . 1 58 58 ILE CG1 C 13 26.792 0.000 . 1 . . . . . 218 I CG1 . 52081 1 563 . 1 . 1 58 58 ILE CG2 C 13 17.167 0.000 . 1 . . . . . 218 I CG2 . 52081 1 564 . 1 . 1 58 58 ILE N N 15 119.631 0.027 . 1 . . . . . 218 I N . 52081 1 565 . 1 . 1 59 59 PHE H H 1 8.210 0.001 . 1 . . . . . 219 F H . 52081 1 566 . 1 . 1 59 59 PHE HA H 1 4.536 0.000 . 1 . . . . . 219 F HA . 52081 1 567 . 1 . 1 59 59 PHE HB2 H 1 3.095 0.000 . 2 . . . . . 219 F HB2 . 52081 1 568 . 1 . 1 59 59 PHE HB3 H 1 2.885 0.000 . 2 . . . . . 219 F HB3 . 52081 1 569 . 1 . 1 59 59 PHE C C 13 175.751 0.005 . 1 . . . . . 219 F C . 52081 1 570 . 1 . 1 59 59 PHE CA C 13 57.798 0.000 . 1 . . . . . 219 F CA . 52081 1 571 . 1 . 1 59 59 PHE CB C 13 39.122 0.000 . 1 . . . . . 219 F CB . 52081 1 572 . 1 . 1 59 59 PHE N N 15 122.556 0.028 . 1 . . . . . 219 F N . 52081 1 573 . 1 . 1 60 60 LYS H H 1 7.976 0.000 . 1 . . . . . 220 K H . 52081 1 574 . 1 . 1 60 60 LYS HA H 1 4.131 0.000 . 1 . . . . . 220 K HA . 52081 1 575 . 1 . 1 60 60 LYS HG2 H 1 1.283 0.000 . 4 . . . . . 220 K QG . 52081 1 576 . 1 . 1 60 60 LYS HG3 H 1 1.283 0.000 . 2 . . . . . 220 K QG . 52081 1 577 . 1 . 1 60 60 LYS HD2 H 1 1.580 0.000 . 4 . . . . . 220 K QD . 52081 1 578 . 1 . 1 60 60 LYS HD3 H 1 1.580 0.000 . 2 . . . . . 220 K QD . 52081 1 579 . 1 . 1 60 60 LYS HE2 H 1 2.887 0.000 . 2 . . . . . 220 K QE . 52081 1 580 . 1 . 1 60 60 LYS HE3 H 1 2.887 0.000 . 2 . . . . . 220 K QE . 52081 1 581 . 1 . 1 60 60 LYS C C 13 175.932 0.005 . 1 . . . . . 220 K C . 52081 1 582 . 1 . 1 60 60 LYS CA C 13 56.669 0.000 . 1 . . . . . 220 K CA . 52081 1 583 . 1 . 1 60 60 LYS CB C 13 33.003 0.000 . 1 . . . . . 220 K CB . 52081 1 584 . 1 . 1 60 60 LYS CG C 13 24.470 0.000 . 1 . . . . . 220 K CG . 52081 1 585 . 1 . 1 60 60 LYS N N 15 122.366 0.055 . 1 . . . . . 220 K N . 52081 1 586 . 1 . 1 61 61 ASP H H 1 8.207 0.001 . 1 . . . . . 221 D H . 52081 1 587 . 1 . 1 61 61 ASP HA H 1 4.444 0.000 . 1 . . . . . 221 D HA . 52081 1 588 . 1 . 1 61 61 ASP HB2 H 1 3.001 0.000 . 2 . . . . . 221 D QB . 52081 1 589 . 1 . 1 61 61 ASP HB3 H 1 3.001 0.000 . 2 . . . . . 221 D QB . 52081 1 590 . 1 . 1 61 61 ASP C C 13 175.577 0.006 . 1 . . . . . 221 D C . 52081 1 591 . 1 . 1 61 61 ASP CA C 13 54.339 0.000 . 1 . . . . . 221 D CA . 52081 1 592 . 1 . 1 61 61 ASP CB C 13 41.130 0.000 . 1 . . . . . 221 D CB . 52081 1 593 . 1 . 1 61 61 ASP N N 15 120.317 0.043 . 1 . . . . . 221 D N . 52081 1 594 . 1 . 1 62 62 LYS H H 1 8.026 0.002 . 1 . . . . . 222 K H . 52081 1 595 . 1 . 1 62 62 LYS HA H 1 4.466 0.000 . 1 . . . . . 222 K HA . 52081 1 596 . 1 . 1 62 62 LYS HB2 H 1 1.542 0.000 . 2 . . . . . 222 K QB . 52081 1 597 . 1 . 1 62 62 LYS HB3 H 1 1.542 0.000 . 2 . . . . . 222 K QB . 52081 1 598 . 1 . 1 62 62 LYS HG2 H 1 1.320 0.000 . 4 . . . . . 222 K QG . 52081 1 599 . 1 . 1 62 62 LYS HG3 H 1 1.320 0.000 . 2 . . . . . 222 K QG . 52081 1 600 . 1 . 1 62 62 LYS HE2 H 1 2.851 0.000 . 2 . . . . . 222 K QE . 52081 1 601 . 1 . 1 62 62 LYS HE3 H 1 2.851 0.000 . 2 . . . . . 222 K QE . 52081 1 602 . 1 . 1 62 62 LYS C C 13 174.192 0.011 . 1 . . . . . 222 K C . 52081 1 603 . 1 . 1 62 62 LYS CA C 13 54.027 0.000 . 1 . . . . . 222 K CA . 52081 1 604 . 1 . 1 62 62 LYS CB C 13 32.589 0.000 . 1 . . . . . 222 K CB . 52081 1 605 . 1 . 1 62 62 LYS CG C 13 24.381 0.000 . 1 . . . . . 222 K CG . 52081 1 606 . 1 . 1 62 62 LYS N N 15 121.756 0.071 . 1 . . . . . 222 K N . 52081 1 607 . 1 . 1 63 63 PRO HA H 1 4.292 0.000 . 1 . . . . . 223 P HA . 52081 1 608 . 1 . 1 63 63 PRO HB2 H 1 1.715 0.000 . 2 . . . . . 223 P QB . 52081 1 609 . 1 . 1 63 63 PRO HB3 H 1 1.715 0.000 . 2 . . . . . 223 P QB . 52081 1 610 . 1 . 1 63 63 PRO HD2 H 1 3.602 0.000 . 2 . . . . . 223 P QD . 52081 1 611 . 1 . 1 63 63 PRO HD3 H 1 3.602 0.000 . 2 . . . . . 223 P QD . 52081 1 612 . 1 . 1 63 63 PRO C C 13 176.646 0.007 . 1 . . . . . 223 P C . 52081 1 613 . 1 . 1 63 63 PRO CA C 13 63.061 0.000 . 1 . . . . . 223 P CA . 52081 1 614 . 1 . 1 63 63 PRO CB C 13 31.887 0.000 . 1 . . . . . 223 P CB . 52081 1 615 . 1 . 1 63 63 PRO N N 15 136.487 0.041 . 1 . . . . . 223 P N . 52081 1 616 . 1 . 1 64 64 ILE H H 1 8.007 0.001 . 1 . . . . . 224 I H . 52081 1 617 . 1 . 1 64 64 ILE HB H 1 1.955 0.000 . 1 . . . . . 224 I HB . 52081 1 618 . 1 . 1 64 64 ILE HD11 H 1 0.654 0.000 . 1 . . . . . 224 I HD1 . 52081 1 619 . 1 . 1 64 64 ILE HD12 H 1 0.654 0.000 . 1 . . . . . 224 I HD1 . 52081 1 620 . 1 . 1 64 64 ILE HD13 H 1 0.654 0.000 . 1 . . . . . 224 I HD1 . 52081 1 621 . 1 . 1 64 64 ILE C C 13 176.162 0.439 . 1 . . . . . 224 I C . 52081 1 622 . 1 . 1 64 64 ILE CA C 13 63.487 2.549 . 1 . . . . . 224 I CA . 52081 1 623 . 1 . 1 64 64 ILE CB C 13 40.451 1.162 . 1 . . . . . 224 I CB . 52081 1 624 . 1 . 1 64 64 ILE N N 15 121.036 0.032 . 1 . . . . . 224 I N . 52081 1 625 . 1 . 1 65 65 LYS H H 1 8.239 0.002 . 1 . . . . . 225 K H . 52081 1 626 . 1 . 1 65 65 LYS C C 13 174.988 0.018 . 1 . . . . . 225 K C . 52081 1 627 . 1 . 1 65 65 LYS CA C 13 58.862 0.037 . 1 . . . . . 225 K CA . 52081 1 628 . 1 . 1 65 65 LYS CB C 13 32.074 1.122 . 1 . . . . . 225 K CB . 52081 1 629 . 1 . 1 65 65 LYS CG C 13 24.433 0.000 . 1 . . . . . 225 K CG . 52081 1 630 . 1 . 1 65 65 LYS N N 15 122.435 3.436 . 1 . . . . . 225 K N . 52081 1 631 . 1 . 1 66 66 LEU H H 1 8.434 0.000 . 1 . . . . . 226 L H . 52081 1 632 . 1 . 1 66 66 LEU HA H 1 4.479 0.000 . 1 . . . . . 226 L HA . 52081 1 633 . 1 . 1 66 66 LEU HB2 H 1 1.785 0.000 . 2 . . . . . 226 L QB . 52081 1 634 . 1 . 1 66 66 LEU HB3 H 1 1.785 0.000 . 2 . . . . . 226 L QB . 52081 1 635 . 1 . 1 66 66 LEU C C 13 174.872 0.010 . 1 . . . . . 226 L C . 52081 1 636 . 1 . 1 66 66 LEU CA C 13 58.852 0.000 . 1 . . . . . 226 L CA . 52081 1 637 . 1 . 1 66 66 LEU CB C 13 38.481 0.000 . 1 . . . . . 226 L CB . 52081 1 638 . 1 . 1 66 66 LEU N N 15 118.161 0.131 . 1 . . . . . 226 L N . 52081 1 639 . 1 . 1 67 67 ARG HA H 1 4.535 0.000 . 1 . . . . . 227 R HA . 52081 1 640 . 1 . 1 67 67 ARG HE H 1 7.146 0.000 . 1 . . . . . 227 R HE . 52081 1 641 . 1 . 1 67 67 ARG C C 13 174.061 0.009 . 1 . . . . . 227 R C . 52081 1 642 . 1 . 1 67 67 ARG CA C 13 53.864 0.000 . 1 . . . . . 227 R CA . 52081 1 643 . 1 . 1 67 67 ARG CB C 13 30.003 0.000 . 1 . . . . . 227 R CB . 52081 1 644 . 1 . 1 67 67 ARG CG C 13 26.667 0.000 . 1 . . . . . 227 R CG . 52081 1 645 . 1 . 1 67 67 ARG CD C 13 43.311 0.000 . 1 . . . . . 227 R CD . 52081 1 646 . 1 . 1 67 67 ARG N N 15 118.097 0.007 . 1 . . . . . 227 R N . 52081 1 647 . 1 . 1 67 67 ARG NE N 15 84.520 0.000 . 1 . . . . . 227 R NE . 52081 1 648 . 1 . 1 68 68 PRO N N 15 136.894 0.006 . 1 . . . . . 228 P N . 52081 1 649 . 1 . 1 69 69 ARG HB2 H 1 1.595 0.000 . 2 . . . . . 229 R QB . 52081 1 650 . 1 . 1 69 69 ARG HB3 H 1 1.595 0.000 . 2 . . . . . 229 R QB . 52081 1 651 . 1 . 1 69 69 ARG C C 13 176.496 0.082 . 1 . . . . . 229 R C . 52081 1 652 . 1 . 1 69 69 ARG CA C 13 57.161 0.000 . 1 . . . . . 229 R CA . 52081 1 653 . 1 . 1 69 69 ARG CB C 13 30.983 0.000 . 1 . . . . . 229 R CB . 52081 1 654 . 1 . 1 69 69 ARG N N 15 118.007 0.000 . 1 . . . . . 229 R N . 52081 1 655 . 1 . 1 70 70 SER H H 1 8.430 0.008 . 1 . . . . . 230 S H . 52081 1 656 . 1 . 1 70 70 SER C C 13 174.468 0.005 . 1 . . . . . 230 S C . 52081 1 657 . 1 . 1 70 70 SER CA C 13 58.383 0.000 . 1 . . . . . 230 S CA . 52081 1 658 . 1 . 1 70 70 SER CB C 13 63.882 0.000 . 1 . . . . . 230 S CB . 52081 1 659 . 1 . 1 70 70 SER N N 15 117.588 0.384 . 1 . . . . . 230 S N . 52081 1 660 . 1 . 1 71 71 ILE H H 1 8.055 0.003 . 1 . . . . . 231 I H . 52081 1 661 . 1 . 1 71 71 ILE HA H 1 4.030 0.000 . 1 . . . . . 231 I HA . 52081 1 662 . 1 . 1 71 71 ILE HB H 1 1.763 0.000 . 1 . . . . . 231 I HB . 52081 1 663 . 1 . 1 71 71 ILE C C 13 176.049 0.008 . 1 . . . . . 231 I C . 52081 1 664 . 1 . 1 71 71 ILE CA C 13 61.312 0.000 . 1 . . . . . 231 I CA . 52081 1 665 . 1 . 1 71 71 ILE CB C 13 38.749 0.000 . 1 . . . . . 231 I CB . 52081 1 666 . 1 . 1 71 71 ILE CG1 C 13 26.985 0.000 . 1 . . . . . 231 I CG1 . 52081 1 667 . 1 . 1 71 71 ILE CG2 C 13 17.485 0.000 . 1 . . . . . 231 I CG2 . 52081 1 668 . 1 . 1 71 71 ILE N N 15 121.585 0.031 . 1 . . . . . 231 I N . 52081 1 669 . 1 . 1 72 72 GLU H H 1 8.367 0.000 . 1 . . . . . 232 E H . 52081 1 670 . 1 . 1 72 72 GLU HA H 1 4.214 0.000 . 1 . . . . . 232 E HA . 52081 1 671 . 1 . 1 72 72 GLU HG2 H 1 2.150 0.000 . 2 . . . . . 232 E QG . 52081 1 672 . 1 . 1 72 72 GLU HG3 H 1 2.150 0.000 . 2 . . . . . 232 E QG . 52081 1 673 . 1 . 1 72 72 GLU C C 13 176.307 0.006 . 1 . . . . . 232 E C . 52081 1 674 . 1 . 1 72 72 GLU CA C 13 56.599 0.000 . 1 . . . . . 232 E CA . 52081 1 675 . 1 . 1 72 72 GLU CB C 13 30.035 0.000 . 1 . . . . . 232 E CB . 52081 1 676 . 1 . 1 72 72 GLU CG C 13 36.019 0.000 . 1 . . . . . 232 E CG . 52081 1 677 . 1 . 1 72 72 GLU N N 15 124.345 0.033 . 1 . . . . . 232 E N . 52081 1 678 . 1 . 1 73 73 VAL H H 1 8.081 0.000 . 1 . . . . . 233 V H . 52081 1 679 . 1 . 1 73 73 VAL HA H 1 4.030 0.000 . 1 . . . . . 233 V HA . 52081 1 680 . 1 . 1 73 73 VAL HB H 1 1.982 0.000 . 1 . . . . . 233 V HB . 52081 1 681 . 1 . 1 73 73 VAL HG11 H 1 0.809 0.000 . 2 . . . . . 233 V QG . 52081 1 682 . 1 . 1 73 73 VAL HG12 H 1 0.809 0.000 . 2 . . . . . 233 V QG . 52081 1 683 . 1 . 1 73 73 VAL HG13 H 1 0.809 0.000 . 2 . . . . . 233 V QG . 52081 1 684 . 1 . 1 73 73 VAL HG21 H 1 0.809 0.000 . 2 . . . . . 233 V QG . 52081 1 685 . 1 . 1 73 73 VAL HG22 H 1 0.809 0.000 . 2 . . . . . 233 V QG . 52081 1 686 . 1 . 1 73 73 VAL HG23 H 1 0.809 0.000 . 2 . . . . . 233 V QG . 52081 1 687 . 1 . 1 73 73 VAL C C 13 176.063 0.004 . 1 . . . . . 233 V C . 52081 1 688 . 1 . 1 73 73 VAL CA C 13 62.163 0.000 . 1 . . . . . 233 V CA . 52081 1 689 . 1 . 1 73 73 VAL CB C 13 32.773 0.000 . 1 . . . . . 233 V CB . 52081 1 690 . 1 . 1 73 73 VAL CG1 C 13 20.836 0.000 . 1 . . . . . 233 V CG1 . 52081 1 691 . 1 . 1 73 73 VAL CG2 C 13 20.185 0.000 . 1 . . . . . 233 V CG2 . 52081 1 692 . 1 . 1 73 73 VAL N N 15 120.657 0.024 . 1 . . . . . 233 V N . 52081 1 693 . 1 . 1 74 74 GLU H H 1 8.447 0.001 . 1 . . . . . 234 E H . 52081 1 694 . 1 . 1 74 74 GLU HA H 1 4.164 0.000 . 1 . . . . . 234 E HA . 52081 1 695 . 1 . 1 74 74 GLU HB2 H 1 1.831 0.000 . 2 . . . . . 234 E QB . 52081 1 696 . 1 . 1 74 74 GLU HB3 H 1 1.831 0.000 . 2 . . . . . 234 E QB . 52081 1 697 . 1 . 1 74 74 GLU HG2 H 1 2.164 0.000 . 2 . . . . . 234 E QG . 52081 1 698 . 1 . 1 74 74 GLU HG3 H 1 2.164 0.000 . 2 . . . . . 234 E QG . 52081 1 699 . 1 . 1 74 74 GLU C C 13 176.177 0.005 . 1 . . . . . 234 E C . 52081 1 700 . 1 . 1 74 74 GLU CA C 13 56.719 0.000 . 1 . . . . . 234 E CA . 52081 1 701 . 1 . 1 74 74 GLU CB C 13 29.952 0.000 . 1 . . . . . 234 E CB . 52081 1 702 . 1 . 1 74 74 GLU CG C 13 35.941 0.000 . 1 . . . . . 234 E CG . 52081 1 703 . 1 . 1 74 74 GLU N N 15 124.155 0.033 . 1 . . . . . 234 E N . 52081 1 704 . 1 . 1 75 75 ASN H H 1 8.381 0.000 . 1 . . . . . 235 N H . 52081 1 705 . 1 . 1 75 75 ASN HA H 1 4.541 0.000 . 1 . . . . . 235 N HA . 52081 1 706 . 1 . 1 75 75 ASN HB2 H 1 2.609 0.000 . 2 . . . . . 235 N QB . 52081 1 707 . 1 . 1 75 75 ASN HB3 H 1 2.609 0.000 . 2 . . . . . 235 N QB . 52081 1 708 . 1 . 1 75 75 ASN C C 13 174.777 0.011 . 1 . . . . . 235 N C . 52081 1 709 . 1 . 1 75 75 ASN CA C 13 53.340 0.000 . 1 . . . . . 235 N CA . 52081 1 710 . 1 . 1 75 75 ASN CB C 13 39.197 0.000 . 1 . . . . . 235 N CB . 52081 1 711 . 1 . 1 75 75 ASN N N 15 119.663 0.036 . 1 . . . . . 235 N N . 52081 1 712 . 1 . 1 76 76 ASP H H 1 8.268 0.000 . 1 . . . . . 236 D H . 52081 1 713 . 1 . 1 76 76 ASP HA H 1 4.441 0.000 . 1 . . . . . 236 D HA . 52081 1 714 . 1 . 1 76 76 ASP HB2 H 1 2.456 0.000 . 2 . . . . . 236 D QB . 52081 1 715 . 1 . 1 76 76 ASP HB3 H 1 2.456 0.000 . 2 . . . . . 236 D QB . 52081 1 716 . 1 . 1 76 76 ASP C C 13 175.604 0.005 . 1 . . . . . 236 D C . 52081 1 717 . 1 . 1 76 76 ASP CA C 13 54.269 0.000 . 1 . . . . . 236 D CA . 52081 1 718 . 1 . 1 76 76 ASP CB C 13 40.863 0.000 . 1 . . . . . 236 D CB . 52081 1 719 . 1 . 1 76 76 ASP N N 15 120.442 0.077 . 1 . . . . . 236 D N . 52081 1 720 . 1 . 1 77 77 PHE H H 1 8.023 0.001 . 1 . . . . . 237 F H . 52081 1 721 . 1 . 1 77 77 PHE HA H 1 4.489 0.000 . 1 . . . . . 237 F HA . 52081 1 722 . 1 . 1 77 77 PHE HB2 H 1 3.036 0.000 . 2 . . . . . 237 F HB2 . 52081 1 723 . 1 . 1 77 77 PHE HB3 H 1 2.939 0.000 . 2 . . . . . 237 F HB3 . 52081 1 724 . 1 . 1 77 77 PHE C C 13 175.348 0.395 . 1 . . . . . 237 F C . 52081 1 725 . 1 . 1 77 77 PHE CA C 13 57.603 0.000 . 1 . . . . . 237 F CA . 52081 1 726 . 1 . 1 77 77 PHE CB C 13 39.319 0.000 . 1 . . . . . 237 F CB . 52081 1 727 . 1 . 1 77 77 PHE N N 15 119.427 0.016 . 1 . . . . . 237 F N . 52081 1 728 . 1 . 1 78 78 LEU H H 1 8.017 0.002 . 1 . . . . . 238 L H . 52081 1 729 . 1 . 1 78 78 LEU HA H 1 4.496 0.000 . 1 . . . . . 238 L HA . 52081 1 730 . 1 . 1 78 78 LEU C C 13 174.667 0.018 . 1 . . . . . 238 L C . 52081 1 731 . 1 . 1 78 78 LEU CA C 13 52.793 0.000 . 1 . . . . . 238 L CA . 52081 1 732 . 1 . 1 78 78 LEU CB C 13 42.128 0.000 . 1 . . . . . 238 L CB . 52081 1 733 . 1 . 1 78 78 LEU CG C 13 26.677 0.000 . 1 . . . . . 238 L CG . 52081 1 734 . 1 . 1 78 78 LEU CD1 C 13 24.916 0.000 . 2 . . . . . 238 L CD1 . 52081 1 735 . 1 . 1 78 78 LEU CD2 C 13 23.530 0.000 . 2 . . . . . 238 L CD2 . 52081 1 736 . 1 . 1 78 78 LEU N N 15 125.062 0.034 . 1 . . . . . 238 L N . 52081 1 737 . 1 . 1 79 79 PRO HA H 1 4.341 0.000 . 1 . . . . . 239 P HA . 52081 1 738 . 1 . 1 79 79 PRO HB2 H 1 1.809 0.000 . 2 . . . . . 239 P QB . 52081 1 739 . 1 . 1 79 79 PRO HB3 H 1 1.809 0.000 . 2 . . . . . 239 P QB . 52081 1 740 . 1 . 1 79 79 PRO HD2 H 1 3.658 0.000 . 2 . . . . . 239 P HD2 . 52081 1 741 . 1 . 1 79 79 PRO HD3 H 1 3.504 0.000 . 2 . . . . . 239 P HD3 . 52081 1 742 . 1 . 1 79 79 PRO C C 13 177.065 0.006 . 1 . . . . . 239 P C . 52081 1 743 . 1 . 1 79 79 PRO CA C 13 63.006 0.000 . 1 . . . . . 239 P CA . 52081 1 744 . 1 . 1 79 79 PRO CB C 13 31.859 0.000 . 1 . . . . . 239 P CB . 52081 1 745 . 1 . 1 79 79 PRO CG C 13 27.319 0.000 . 1 . . . . . 239 P CG . 52081 1 746 . 1 . 1 79 79 PRO CD C 13 50.527 0.000 . 1 . . . . . 239 P CD . 52081 1 747 . 1 . 1 79 79 PRO N N 15 136.039 0.052 . 1 . . . . . 239 P N . 52081 1 748 . 1 . 1 80 80 VAL H H 1 8.190 0.001 . 1 . . . . . 240 V H . 52081 1 749 . 1 . 1 80 80 VAL HA H 1 3.952 0.000 . 1 . . . . . 240 V HA . 52081 1 750 . 1 . 1 80 80 VAL HB H 1 1.967 0.000 . 1 . . . . . 240 V HB . 52081 1 751 . 1 . 1 80 80 VAL HG11 H 1 0.867 0.000 . 2 . . . . . 240 V QG . 52081 1 752 . 1 . 1 80 80 VAL HG12 H 1 0.867 0.000 . 2 . . . . . 240 V QG . 52081 1 753 . 1 . 1 80 80 VAL HG13 H 1 0.867 0.000 . 2 . . . . . 240 V QG . 52081 1 754 . 1 . 1 80 80 VAL HG21 H 1 0.867 0.000 . 2 . . . . . 240 V QG . 52081 1 755 . 1 . 1 80 80 VAL HG22 H 1 0.867 0.000 . 2 . . . . . 240 V QG . 52081 1 756 . 1 . 1 80 80 VAL HG23 H 1 0.867 0.000 . 2 . . . . . 240 V QG . 52081 1 757 . 1 . 1 80 80 VAL C C 13 176.511 0.005 . 1 . . . . . 240 V C . 52081 1 758 . 1 . 1 80 80 VAL CA C 13 62.662 0.000 . 1 . . . . . 240 V CA . 52081 1 759 . 1 . 1 80 80 VAL CB C 13 32.677 0.000 . 1 . . . . . 240 V CB . 52081 1 760 . 1 . 1 80 80 VAL CG1 C 13 20.697 0.000 . 1 . . . . . 240 V CG1 . 52081 1 761 . 1 . 1 80 80 VAL CG2 C 13 19.845 0.000 . 1 . . . . . 240 V CG2 . 52081 1 762 . 1 . 1 80 80 VAL N N 15 120.436 0.038 . 1 . . . . . 240 V N . 52081 1 763 . 1 . 1 81 81 GLU H H 1 8.546 0.001 . 1 . . . . . 241 E H . 52081 1 764 . 1 . 1 81 81 GLU HA H 1 4.175 0.000 . 1 . . . . . 241 E HA . 52081 1 765 . 1 . 1 81 81 GLU HB2 H 1 1.900 0.000 . 2 . . . . . 241 E QB . 52081 1 766 . 1 . 1 81 81 GLU HB3 H 1 1.900 0.000 . 2 . . . . . 241 E QB . 52081 1 767 . 1 . 1 81 81 GLU HG2 H 1 2.177 0.000 . 2 . . . . . 241 E QG . 52081 1 768 . 1 . 1 81 81 GLU HG3 H 1 2.177 0.000 . 2 . . . . . 241 E QG . 52081 1 769 . 1 . 1 81 81 GLU C C 13 176.532 0.005 . 1 . . . . . 241 E C . 52081 1 770 . 1 . 1 81 81 GLU CA C 13 56.906 0.000 . 1 . . . . . 241 E CA . 52081 1 771 . 1 . 1 81 81 GLU CB C 13 29.952 0.000 . 1 . . . . . 241 E CB . 52081 1 772 . 1 . 1 81 81 GLU CG C 13 36.105 0.000 . 1 . . . . . 241 E CG . 52081 1 773 . 1 . 1 81 81 GLU N N 15 124.163 0.034 . 1 . . . . . 241 E N . 52081 1 774 . 1 . 1 82 82 LYS H H 1 8.337 0.001 . 1 . . . . . 242 K H . 52081 1 775 . 1 . 1 82 82 LYS HA H 1 4.264 0.000 . 1 . . . . . 242 K HA . 52081 1 776 . 1 . 1 82 82 LYS HB2 H 1 1.579 0.000 . 2 . . . . . 242 K QB . 52081 1 777 . 1 . 1 82 82 LYS HB3 H 1 1.579 0.000 . 2 . . . . . 242 K QB . 52081 1 778 . 1 . 1 82 82 LYS HG2 H 1 1.353 0.000 . 4 . . . . . 242 K QG . 52081 1 779 . 1 . 1 82 82 LYS HG3 H 1 1.353 0.000 . 2 . . . . . 242 K QG . 52081 1 780 . 1 . 1 82 82 LYS HE2 H 1 2.883 0.000 . 2 . . . . . 242 K QE . 52081 1 781 . 1 . 1 82 82 LYS HE3 H 1 2.883 0.000 . 2 . . . . . 242 K QE . 52081 1 782 . 1 . 1 82 82 LYS C C 13 176.636 0.004 . 1 . . . . . 242 K C . 52081 1 783 . 1 . 1 82 82 LYS CA C 13 56.501 0.000 . 1 . . . . . 242 K CA . 52081 1 784 . 1 . 1 82 82 LYS CB C 13 32.955 0.000 . 1 . . . . . 242 K CB . 52081 1 785 . 1 . 1 82 82 LYS CG C 13 24.830 0.000 . 1 . . . . . 242 K CG . 52081 1 786 . 1 . 1 82 82 LYS N N 15 122.252 0.017 . 1 . . . . . 242 K N . 52081 1 787 . 1 . 1 83 83 THR H H 1 8.145 0.002 . 1 . . . . . 243 T H . 52081 1 788 . 1 . 1 83 83 THR HA H 1 4.380 0.000 . 1 . . . . . 243 T HA . 52081 1 789 . 1 . 1 83 83 THR HG21 H 1 1.288 0.000 . 1 . . . . . 243 T HG1 . 52081 1 790 . 1 . 1 83 83 THR HG22 H 1 1.288 0.000 . 1 . . . . . 243 T HG1 . 52081 1 791 . 1 . 1 83 83 THR HG23 H 1 1.288 0.000 . 1 . . . . . 243 T HG1 . 52081 1 792 . 1 . 1 83 83 THR C C 13 174.535 0.013 . 1 . . . . . 243 T C . 52081 1 793 . 1 . 1 83 83 THR CA C 13 62.085 0.000 . 1 . . . . . 243 T CA . 52081 1 794 . 1 . 1 83 83 THR CB C 13 69.890 0.000 . 1 . . . . . 243 T CB . 52081 1 795 . 1 . 1 83 83 THR CG2 C 13 21.541 0.000 . 1 . . . . . 243 T CG2 . 52081 1 796 . 1 . 1 83 83 THR N N 15 115.325 0.018 . 1 . . . . . 243 T N . 52081 1 797 . 1 . 1 84 84 ILE H H 1 8.156 0.002 . 1 . . . . . 244 I H . 52081 1 798 . 1 . 1 84 84 ILE HA H 1 4.094 0.000 . 1 . . . . . 244 I HA . 52081 1 799 . 1 . 1 84 84 ILE HB H 1 1.793 0.000 . 1 . . . . . 244 I HB . 52081 1 800 . 1 . 1 84 84 ILE HG12 H 1 1.400 0.000 . 2 . . . . . 244 I HG12 . 52081 1 801 . 1 . 1 84 84 ILE HG13 H 1 1.119 0.000 . 2 . . . . . 244 I HG13 . 52081 1 802 . 1 . 1 84 84 ILE HD11 H 1 0.812 0.000 . 1 . . . . . 244 I MD . 52081 1 803 . 1 . 1 84 84 ILE HD12 H 1 0.812 0.000 . 1 . . . . . 244 I MD . 52081 1 804 . 1 . 1 84 84 ILE HD13 H 1 0.812 0.000 . 1 . . . . . 244 I MD . 52081 1 805 . 1 . 1 84 84 ILE C C 13 176.644 0.008 . 1 . . . . . 244 I C . 52081 1 806 . 1 . 1 84 84 ILE CA C 13 61.428 0.000 . 1 . . . . . 244 I CA . 52081 1 807 . 1 . 1 84 84 ILE CB C 13 38.649 0.000 . 1 . . . . . 244 I CB . 52081 1 808 . 1 . 1 84 84 ILE CG1 C 13 27.168 0.000 . 1 . . . . . 244 I CG1 . 52081 1 809 . 1 . 1 84 84 ILE CG2 C 13 17.273 0.000 . 1 . . . . . 244 I CG2 . 52081 1 810 . 1 . 1 84 84 ILE CD1 C 13 13.192 0.060 . 1 . . . . . 244 I CD1 . 52081 1 811 . 1 . 1 84 84 ILE N N 15 123.321 0.014 . 1 . . . . . 244 I N . 52081 1 812 . 1 . 1 85 85 GLY H H 1 8.445 0.000 . 1 . . . . . 245 G H . 52081 1 813 . 1 . 1 85 85 GLY HA2 H 1 3.844 0.000 . 2 . . . . . 245 G QA . 52081 1 814 . 1 . 1 85 85 GLY HA3 H 1 3.844 0.000 . 2 . . . . . 245 G QA . 52081 1 815 . 1 . 1 85 85 GLY C C 13 173.801 0.004 . 1 . . . . . 245 G C . 52081 1 816 . 1 . 1 85 85 GLY CA C 13 45.210 0.000 . 1 . . . . . 245 G CA . 52081 1 817 . 1 . 1 85 85 GLY N N 15 112.849 0.114 . 1 . . . . . 245 G N . 52081 1 818 . 1 . 1 86 86 LYS H H 1 8.079 0.001 . 1 . . . . . 246 K H . 52081 1 819 . 1 . 1 86 86 LYS HA H 1 4.213 0.000 . 1 . . . . . 246 K HA . 52081 1 820 . 1 . 1 86 86 LYS HB2 H 1 1.680 0.000 . 2 . . . . . 246 K QB . 52081 1 821 . 1 . 1 86 86 LYS HB3 H 1 1.680 0.000 . 2 . . . . . 246 K QB . 52081 1 822 . 1 . 1 86 86 LYS HG2 H 1 1.297 0.000 . 4 . . . . . 246 K QG . 52081 1 823 . 1 . 1 86 86 LYS HG3 H 1 1.297 0.000 . 2 . . . . . 246 K QG . 52081 1 824 . 1 . 1 86 86 LYS HD2 H 1 1.585 0.000 . 4 . . . . . 246 K QD . 52081 1 825 . 1 . 1 86 86 LYS HD3 H 1 1.585 0.000 . 2 . . . . . 246 K QD . 52081 1 826 . 1 . 1 86 86 LYS HE2 H 1 2.886 0.000 . 2 . . . . . 246 K QE . 52081 1 827 . 1 . 1 86 86 LYS HE3 H 1 2.886 0.000 . 2 . . . . . 246 K QE . 52081 1 828 . 1 . 1 86 86 LYS C C 13 176.244 0.007 . 1 . . . . . 246 K C . 52081 1 829 . 1 . 1 86 86 LYS CA C 13 56.106 0.000 . 1 . . . . . 246 K CA . 52081 1 830 . 1 . 1 86 86 LYS CB C 13 33.244 0.000 . 1 . . . . . 246 K CB . 52081 1 831 . 1 . 1 86 86 LYS CG C 13 24.598 0.000 . 1 . . . . . 246 K CG . 52081 1 832 . 1 . 1 86 86 LYS N N 15 120.960 0.013 . 1 . . . . . 246 K N . 52081 1 833 . 1 . 1 87 87 LYS H H 1 8.339 0.000 . 1 . . . . . 247 K H . 52081 1 834 . 1 . 1 87 87 LYS HA H 1 4.229 0.000 . 1 . . . . . 247 K HA . 52081 1 835 . 1 . 1 87 87 LYS HB2 H 1 1.689 0.000 . 2 . . . . . 247 K QB . 52081 1 836 . 1 . 1 87 87 LYS HB3 H 1 1.689 0.000 . 2 . . . . . 247 K QB . 52081 1 837 . 1 . 1 87 87 LYS HG2 H 1 1.311 0.000 . 4 . . . . . 247 K QG . 52081 1 838 . 1 . 1 87 87 LYS HG3 H 1 1.311 0.000 . 2 . . . . . 247 K QG . 52081 1 839 . 1 . 1 87 87 LYS HD2 H 1 1.577 0.000 . 4 . . . . . 247 K QD . 52081 1 840 . 1 . 1 87 87 LYS HD3 H 1 1.577 0.000 . 2 . . . . . 247 K QD . 52081 1 841 . 1 . 1 87 87 LYS HE2 H 1 2.891 0.000 . 2 . . . . . 247 K QE . 52081 1 842 . 1 . 1 87 87 LYS HE3 H 1 2.891 0.000 . 2 . . . . . 247 K QE . 52081 1 843 . 1 . 1 87 87 LYS C C 13 176.168 0.003 . 1 . . . . . 247 K C . 52081 1 844 . 1 . 1 87 87 LYS CA C 13 56.035 0.000 . 1 . . . . . 247 K CA . 52081 1 845 . 1 . 1 87 87 LYS CB C 13 32.946 0.000 . 1 . . . . . 247 K CB . 52081 1 846 . 1 . 1 87 87 LYS CG C 13 24.599 0.000 . 1 . . . . . 247 K CG . 52081 1 847 . 1 . 1 87 87 LYS N N 15 123.228 0.036 . 1 . . . . . 247 K N . 52081 1 848 . 1 . 1 88 88 LEU H H 1 8.366 0.004 . 1 . . . . . 248 L H . 52081 1 849 . 1 . 1 88 88 LEU HA H 1 4.514 0.000 . 1 . . . . . 248 L HA . 52081 1 850 . 1 . 1 88 88 LEU HB2 H 1 1.584 0.000 . 2 . . . . . 248 L HB2 . 52081 1 851 . 1 . 1 88 88 LEU HB3 H 1 1.482 0.000 . 2 . . . . . 248 L HB3 . 52081 1 852 . 1 . 1 88 88 LEU HD11 H 1 0.838 0.000 . 2 . . . . . 248 L MD1 . 52081 1 853 . 1 . 1 88 88 LEU HD12 H 1 0.838 0.000 . 2 . . . . . 248 L MD1 . 52081 1 854 . 1 . 1 88 88 LEU HD13 H 1 0.838 0.000 . 2 . . . . . 248 L MD1 . 52081 1 855 . 1 . 1 88 88 LEU HD21 H 1 0.837 0.000 . 2 . . . . . 248 L MD2 . 52081 1 856 . 1 . 1 88 88 LEU HD22 H 1 0.837 0.000 . 2 . . . . . 248 L MD2 . 52081 1 857 . 1 . 1 88 88 LEU HD23 H 1 0.837 0.000 . 2 . . . . . 248 L MD2 . 52081 1 858 . 1 . 1 88 88 LEU C C 13 175.217 0.004 . 1 . . . . . 248 L C . 52081 1 859 . 1 . 1 88 88 LEU CA C 13 53.034 0.000 . 1 . . . . . 248 L CA . 52081 1 860 . 1 . 1 88 88 LEU CB C 13 41.585 0.000 . 1 . . . . . 248 L CB . 52081 1 861 . 1 . 1 88 88 LEU CG C 13 26.907 0.000 . 1 . . . . . 248 L CG . 52081 1 862 . 1 . 1 88 88 LEU CD1 C 13 23.394 0.000 . 2 . . . . . 248 L CD1 . 52081 1 863 . 1 . 1 88 88 LEU CD2 C 13 24.905 0.000 . 2 . . . . . 248 L CD2 . 52081 1 864 . 1 . 1 88 88 LEU N N 15 125.750 0.021 . 1 . . . . . 248 L N . 52081 1 865 . 1 . 1 89 89 PRO HA H 1 4.318 0.000 . 1 . . . . . 249 P HA . 52081 1 866 . 1 . 1 89 89 PRO HB2 H 1 2.210 0.000 . 2 . . . . . 249 P HB2 . 52081 1 867 . 1 . 1 89 89 PRO HB3 H 1 1.937 0.000 . 2 . . . . . 249 P HB3 . 52081 1 868 . 1 . 1 89 89 PRO HG2 H 1 1.826 0.000 . 2 . . . . . 249 P QG . 52081 1 869 . 1 . 1 89 89 PRO HG3 H 1 1.826 0.000 . 2 . . . . . 249 P QG . 52081 1 870 . 1 . 1 89 89 PRO HD2 H 1 3.741 0.000 . 2 . . . . . 249 P HD2 . 52081 1 871 . 1 . 1 89 89 PRO HD3 H 1 3.542 0.000 . 2 . . . . . 249 P HD3 . 52081 1 872 . 1 . 1 89 89 PRO C C 13 176.559 0.003 . 1 . . . . . 249 P C . 52081 1 873 . 1 . 1 89 89 PRO CA C 13 62.960 0.000 . 1 . . . . . 249 P CA . 52081 1 874 . 1 . 1 89 89 PRO CB C 13 31.979 0.000 . 1 . . . . . 249 P CB . 52081 1 875 . 1 . 1 89 89 PRO CG C 13 27.339 0.000 . 1 . . . . . 249 P CG . 52081 1 876 . 1 . 1 89 89 PRO CD C 13 50.442 0.000 . 1 . . . . . 249 P CD . 52081 1 877 . 1 . 1 89 89 PRO N N 15 136.005 0.026 . 1 . . . . . 249 P N . 52081 1 878 . 1 . 1 90 90 ALA H H 1 8.414 0.000 . 1 . . . . . 250 A H . 52081 1 879 . 1 . 1 90 90 ALA HA H 1 4.275 0.000 . 1 . . . . . 250 A HA . 52081 1 880 . 1 . 1 90 90 ALA HB1 H 1 1.325 0.000 . 1 . . . . . 250 A MB . 52081 1 881 . 1 . 1 90 90 ALA HB2 H 1 1.325 0.000 . 1 . . . . . 250 A MB . 52081 1 882 . 1 . 1 90 90 ALA HB3 H 1 1.325 0.000 . 1 . . . . . 250 A MB . 52081 1 883 . 1 . 1 90 90 ALA C C 13 178.047 0.004 . 1 . . . . . 250 A C . 52081 1 884 . 1 . 1 90 90 ALA CA C 13 52.550 0.000 . 1 . . . . . 250 A CA . 52081 1 885 . 1 . 1 90 90 ALA CB C 13 19.213 0.000 . 1 . . . . . 250 A CB . 52081 1 886 . 1 . 1 90 90 ALA N N 15 124.348 0.028 . 1 . . . . . 250 A N . 52081 1 887 . 1 . 1 91 91 THR H H 1 8.157 0.000 . 1 . . . . . 251 T H . 52081 1 888 . 1 . 1 91 91 THR HG21 H 1 1.133 0.000 . 1 . . . . . 251 T HG1 . 52081 1 889 . 1 . 1 91 91 THR HG22 H 1 1.133 0.000 . 1 . . . . . 251 T HG1 . 52081 1 890 . 1 . 1 91 91 THR HG23 H 1 1.133 0.000 . 1 . . . . . 251 T HG1 . 52081 1 891 . 1 . 1 91 91 THR C C 13 174.661 0.012 . 1 . . . . . 251 T C . 52081 1 892 . 1 . 1 91 91 THR CA C 13 61.736 0.000 . 1 . . . . . 251 T CA . 52081 1 893 . 1 . 1 91 91 THR CB C 13 69.900 0.000 . 1 . . . . . 251 T CB . 52081 1 894 . 1 . 1 91 91 THR CG2 C 13 21.398 0.000 . 1 . . . . . 251 T CG2 . 52081 1 895 . 1 . 1 91 91 THR N N 15 113.184 0.018 . 1 . . . . . 251 T N . 52081 1 896 . 1 . 1 92 92 THR H H 1 8.102 0.001 . 1 . . . . . 252 T H . 52081 1 897 . 1 . 1 92 92 THR HA H 1 4.257 0.000 . 1 . . . . . 252 T HA . 52081 1 898 . 1 . 1 92 92 THR HG21 H 1 1.119 0.000 . 1 . . . . . 252 T HG1 . 52081 1 899 . 1 . 1 92 92 THR HG22 H 1 1.119 0.000 . 1 . . . . . 252 T HG1 . 52081 1 900 . 1 . 1 92 92 THR HG23 H 1 1.119 0.000 . 1 . . . . . 252 T HG1 . 52081 1 901 . 1 . 1 92 92 THR C C 13 174.014 0.004 . 1 . . . . . 252 T C . 52081 1 902 . 1 . 1 92 92 THR CA C 13 61.759 0.000 . 1 . . . . . 252 T CA . 52081 1 903 . 1 . 1 92 92 THR CB C 13 69.929 0.000 . 1 . . . . . 252 T CB . 52081 1 904 . 1 . 1 92 92 THR CG2 C 13 21.394 0.000 . 1 . . . . . 252 T CG2 . 52081 1 905 . 1 . 1 92 92 THR N N 15 116.241 0.025 . 1 . . . . . 252 T N . 52081 1 906 . 1 . 1 93 93 ALA H H 1 8.329 0.001 . 1 . . . . . 253 A H . 52081 1 907 . 1 . 1 93 93 ALA HA H 1 4.307 0.000 . 1 . . . . . 253 A HA . 52081 1 908 . 1 . 1 93 93 ALA HB1 H 1 1.292 0.000 . 1 . . . . . 253 A MB . 52081 1 909 . 1 . 1 93 93 ALA HB2 H 1 1.292 0.000 . 1 . . . . . 253 A MB . 52081 1 910 . 1 . 1 93 93 ALA HB3 H 1 1.292 0.000 . 1 . . . . . 253 A MB . 52081 1 911 . 1 . 1 93 93 ALA C C 13 177.466 0.003 . 1 . . . . . 253 A C . 52081 1 912 . 1 . 1 93 93 ALA CA C 13 52.437 0.000 . 1 . . . . . 253 A CA . 52081 1 913 . 1 . 1 93 93 ALA CB C 13 19.306 0.000 . 1 . . . . . 253 A CB . 52081 1 914 . 1 . 1 93 93 ALA N N 15 126.843 0.015 . 1 . . . . . 253 A N . 52081 1 915 . 1 . 1 94 94 THR H H 1 8.241 0.000 . 1 . . . . . 254 T H . 52081 1 916 . 1 . 1 94 94 THR HA H 1 4.508 0.000 . 1 . . . . . 254 T HA . 52081 1 917 . 1 . 1 94 94 THR HB H 1 4.089 0.000 . 1 . . . . . 254 T HB . 52081 1 918 . 1 . 1 94 94 THR HG21 H 1 1.160 0.000 . 1 . . . . . 254 T HG1 . 52081 1 919 . 1 . 1 94 94 THR HG22 H 1 1.160 0.000 . 1 . . . . . 254 T HG1 . 52081 1 920 . 1 . 1 94 94 THR HG23 H 1 1.160 0.000 . 1 . . . . . 254 T HG1 . 52081 1 921 . 1 . 1 94 94 THR C C 13 173.136 0.004 . 1 . . . . . 254 T C . 52081 1 922 . 1 . 1 94 94 THR CA C 13 59.661 0.000 . 1 . . . . . 254 T CA . 52081 1 923 . 1 . 1 94 94 THR CB C 13 69.710 0.000 . 1 . . . . . 254 T CB . 52081 1 924 . 1 . 1 94 94 THR CG2 C 13 21.481 0.000 . 1 . . . . . 254 T CG2 . 52081 1 925 . 1 . 1 94 94 THR N N 15 116.153 0.026 . 1 . . . . . 254 T N . 52081 1 926 . 1 . 1 95 95 PRO HA H 1 4.328 0.000 . 1 . . . . . 255 P HA . 52081 1 927 . 1 . 1 95 95 PRO HB2 H 1 2.196 0.000 . 2 . . . . . 255 P QB . 52081 1 928 . 1 . 1 95 95 PRO HB3 H 1 2.196 0.000 . 2 . . . . . 255 P QB . 52081 1 929 . 1 . 1 95 95 PRO HG2 H 1 1.912 0.000 . 2 . . . . . 255 P QG . 52081 1 930 . 1 . 1 95 95 PRO HG3 H 1 1.912 0.000 . 2 . . . . . 255 P QG . 52081 1 931 . 1 . 1 95 95 PRO HD2 H 1 3.624 0.000 . 2 . . . . . 255 P HD2 . 52081 1 932 . 1 . 1 95 95 PRO HD3 H 1 3.735 0.000 . 2 . . . . . 255 P HD3 . 52081 1 933 . 1 . 1 95 95 PRO C C 13 176.755 0.013 . 1 . . . . . 255 P C . 52081 1 934 . 1 . 1 95 95 PRO CA C 13 63.487 0.000 . 1 . . . . . 255 P CA . 52081 1 935 . 1 . 1 95 95 PRO CB C 13 31.988 0.000 . 1 . . . . . 255 P CB . 52081 1 936 . 1 . 1 95 95 PRO CG C 13 27.338 0.000 . 1 . . . . . 255 P CG . 52081 1 937 . 1 . 1 95 95 PRO CD C 13 51.103 0.000 . 1 . . . . . 255 P CD . 52081 1 938 . 1 . 1 95 95 PRO N N 15 138.853 0.025 . 1 . . . . . 255 P N . 52081 1 939 . 1 . 1 96 96 ASP H H 1 8.427 0.000 . 1 . . . . . 256 D H . 52081 1 940 . 1 . 1 96 96 ASP HA H 1 4.506 0.000 . 1 . . . . . 256 D HA . 52081 1 941 . 1 . 1 96 96 ASP HB2 H 1 2.591 0.000 . 2 . . . . . 256 D QB . 52081 1 942 . 1 . 1 96 96 ASP HB3 H 1 2.591 0.000 . 2 . . . . . 256 D QB . 52081 1 943 . 1 . 1 96 96 ASP C C 13 176.725 0.015 . 1 . . . . . 256 D C . 52081 1 944 . 1 . 1 96 96 ASP CA C 13 54.405 0.000 . 1 . . . . . 256 D CA . 52081 1 945 . 1 . 1 96 96 ASP CB C 13 41.099 0.000 . 1 . . . . . 256 D CB . 52081 1 946 . 1 . 1 96 96 ASP N N 15 120.484 0.014 . 1 . . . . . 256 D N . 52081 1 947 . 1 . 1 97 97 SER H H 1 8.335 0.000 . 1 . . . . . 257 S H . 52081 1 948 . 1 . 1 97 97 SER HA H 1 4.366 0.000 . 1 . . . . . 257 S HA . 52081 1 949 . 1 . 1 97 97 SER HB2 H 1 3.866 0.000 . 2 . . . . . 257 S QB . 52081 1 950 . 1 . 1 97 97 SER HB3 H 1 3.866 0.000 . 2 . . . . . 257 S QB . 52081 1 951 . 1 . 1 97 97 SER C C 13 174.965 0.011 . 1 . . . . . 257 S C . 52081 1 952 . 1 . 1 97 97 SER CA C 13 58.935 0.000 . 1 . . . . . 257 S CA . 52081 1 953 . 1 . 1 97 97 SER CB C 13 64.087 0.000 . 1 . . . . . 257 S CB . 52081 1 954 . 1 . 1 97 97 SER N N 15 117.214 0.164 . 1 . . . . . 257 S N . 52081 1 955 . 1 . 1 98 98 SER H H 1 8.395 0.000 . 1 . . . . . 258 S H . 52081 1 956 . 1 . 1 98 98 SER HA H 1 4.364 0.000 . 1 . . . . . 258 S HA . 52081 1 957 . 1 . 1 98 98 SER HB2 H 1 3.806 0.000 . 2 . . . . . 258 S HB . 52081 1 958 . 1 . 1 98 98 SER HB3 H 1 3.806 0.000 . 2 . . . . . 258 S HB . 52081 1 959 . 1 . 1 98 98 SER HG H 1 4.589 0.000 . 1 . . . . . 258 S HG . 52081 1 960 . 1 . 1 98 98 SER C C 13 174.769 0.015 . 1 . . . . . 258 S C . 52081 1 961 . 1 . 1 98 98 SER CA C 13 59.221 0.000 . 1 . . . . . 258 S CA . 52081 1 962 . 1 . 1 98 98 SER CB C 13 63.503 0.000 . 1 . . . . . 258 S CB . 52081 1 963 . 1 . 1 98 98 SER N N 15 117.903 0.105 . 1 . . . . . 258 S N . 52081 1 964 . 1 . 1 99 99 LYS H H 1 8.157 0.000 . 1 . . . . . 259 K H . 52081 1 965 . 1 . 1 99 99 LYS HA H 1 4.313 0.000 . 1 . . . . . 259 K HA . 52081 1 966 . 1 . 1 99 99 LYS HB2 H 1 1.722 0.000 . 2 . . . . . 259 K QB . 52081 1 967 . 1 . 1 99 99 LYS HB3 H 1 1.722 0.000 . 2 . . . . . 259 K QB . 52081 1 968 . 1 . 1 99 99 LYS HG2 H 1 1.351 0.000 . 4 . . . . . 259 K QG . 52081 1 969 . 1 . 1 99 99 LYS HG3 H 1 1.351 0.000 . 2 . . . . . 259 K QG . 52081 1 970 . 1 . 1 99 99 LYS HD2 H 1 1.589 0.000 . 4 . . . . . 259 K QD . 52081 1 971 . 1 . 1 99 99 LYS HD3 H 1 1.589 0.000 . 2 . . . . . 259 K QD . 52081 1 972 . 1 . 1 99 99 LYS HE2 H 1 2.910 0.000 . 2 . . . . . 259 K QE . 52081 1 973 . 1 . 1 99 99 LYS HE3 H 1 2.910 0.000 . 2 . . . . . 259 K QE . 52081 1 974 . 1 . 1 99 99 LYS C C 13 176.854 0.007 . 1 . . . . . 259 K C . 52081 1 975 . 1 . 1 99 99 LYS CA C 13 56.665 0.000 . 1 . . . . . 259 K CA . 52081 1 976 . 1 . 1 99 99 LYS CB C 13 32.826 0.000 . 1 . . . . . 259 K CB . 52081 1 977 . 1 . 1 99 99 LYS CG C 13 24.678 0.000 . 1 . . . . . 259 K CG . 52081 1 978 . 1 . 1 99 99 LYS N N 15 122.815 0.035 . 1 . . . . . 259 K N . 52081 1 979 . 1 . 1 100 100 THR H H 1 8.120 0.003 . 1 . . . . . 260 T H . 52081 1 980 . 1 . 1 100 100 THR HA H 1 4.231 0.000 . 1 . . . . . 260 T HA . 52081 1 981 . 1 . 1 100 100 THR HG21 H 1 1.122 0.000 . 1 . . . . . 260 T HG1 . 52081 1 982 . 1 . 1 100 100 THR HG22 H 1 1.122 0.000 . 1 . . . . . 260 T HG1 . 52081 1 983 . 1 . 1 100 100 THR HG23 H 1 1.122 0.000 . 1 . . . . . 260 T HG1 . 52081 1 984 . 1 . 1 100 100 THR C C 13 174.894 0.011 . 1 . . . . . 260 T C . 52081 1 985 . 1 . 1 100 100 THR CA C 13 62.386 0.000 . 1 . . . . . 260 T CA . 52081 1 986 . 1 . 1 100 100 THR CB C 13 69.894 0.000 . 1 . . . . . 260 T CB . 52081 1 987 . 1 . 1 100 100 THR CG2 C 13 21.582 0.000 . 1 . . . . . 260 T CG2 . 52081 1 988 . 1 . 1 100 100 THR N N 15 114.822 0.029 . 1 . . . . . 260 T N . 52081 1 989 . 1 . 1 101 101 GLU H H 1 8.406 0.000 . 1 . . . . . 261 E H . 52081 1 990 . 1 . 1 101 101 GLU HA H 1 4.207 0.000 . 1 . . . . . 261 E HA . 52081 1 991 . 1 . 1 101 101 GLU HB2 H 1 1.902 0.000 . 2 . . . . . 261 E QB . 52081 1 992 . 1 . 1 101 101 GLU HB3 H 1 1.902 0.000 . 2 . . . . . 261 E QB . 52081 1 993 . 1 . 1 101 101 GLU HG2 H 1 2.206 0.000 . 2 . . . . . 261 E QG . 52081 1 994 . 1 . 1 101 101 GLU HG3 H 1 2.206 0.000 . 2 . . . . . 261 E QG . 52081 1 995 . 1 . 1 101 101 GLU C C 13 176.772 0.016 . 1 . . . . . 261 E C . 52081 1 996 . 1 . 1 101 101 GLU CA C 13 56.926 0.000 . 1 . . . . . 261 E CA . 52081 1 997 . 1 . 1 101 101 GLU CB C 13 29.821 0.000 . 1 . . . . . 261 E CB . 52081 1 998 . 1 . 1 101 101 GLU CG C 13 35.962 0.000 . 1 . . . . . 261 E CG . 52081 1 999 . 1 . 1 101 101 GLU N N 15 123.131 0.031 . 1 . . . . . 261 E N . 52081 1 1000 . 1 . 1 102 102 MET H H 1 8.352 0.000 . 1 . . . . . 262 M H . 52081 1 1001 . 1 . 1 102 102 MET HA H 1 4.320 0.000 . 1 . . . . . 262 M HA . 52081 1 1002 . 1 . 1 102 102 MET HB2 H 1 1.963 0.000 . 2 . . . . . 262 M QB . 52081 1 1003 . 1 . 1 102 102 MET HB3 H 1 1.963 0.000 . 2 . . . . . 262 M QB . 52081 1 1004 . 1 . 1 102 102 MET HG2 H 1 2.477 0.000 . 2 . . . . . 262 M QG . 52081 1 1005 . 1 . 1 102 102 MET HG3 H 1 2.477 0.000 . 2 . . . . . 262 M QG . 52081 1 1006 . 1 . 1 102 102 MET C C 13 176.341 0.008 . 1 . . . . . 262 M C . 52081 1 1007 . 1 . 1 102 102 MET CA C 13 56.040 0.000 . 1 . . . . . 262 M CA . 52081 1 1008 . 1 . 1 102 102 MET CB C 13 31.909 0.000 . 1 . . . . . 262 M CB . 52081 1 1009 . 1 . 1 102 102 MET CG C 13 31.051 0.000 . 1 . . . . . 262 M CG . 52081 1 1010 . 1 . 1 102 102 MET CE C 13 18.877 0.000 . 1 . . . . . 262 M CE . 52081 1 1011 . 1 . 1 102 102 MET N N 15 120.987 0.033 . 1 . . . . . 262 M N . 52081 1 1012 . 1 . 1 103 103 ASP H H 1 8.345 0.000 . 1 . . . . . 263 D H . 52081 1 1013 . 1 . 1 103 103 ASP HA H 1 4.517 0.000 . 1 . . . . . 263 D HA . 52081 1 1014 . 1 . 1 103 103 ASP HB2 H 1 2.619 0.000 . 2 . . . . . 263 D QB . 52081 1 1015 . 1 . 1 103 103 ASP HB3 H 1 2.619 0.000 . 2 . . . . . 263 D QB . 52081 1 1016 . 1 . 1 103 103 ASP C C 13 176.607 0.003 . 1 . . . . . 263 D C . 52081 1 1017 . 1 . 1 103 103 ASP CA C 13 54.597 0.000 . 1 . . . . . 263 D CA . 52081 1 1018 . 1 . 1 103 103 ASP CB C 13 41.208 0.000 . 1 . . . . . 263 D CB . 52081 1 1019 . 1 . 1 103 103 ASP N N 15 121.515 0.023 . 1 . . . . . 263 D N . 52081 1 1020 . 1 . 1 104 104 SER H H 1 8.275 0.000 . 1 . . . . . 264 S H . 52081 1 1021 . 1 . 1 104 104 SER HA H 1 4.309 0.000 . 1 . . . . . 264 S HA . 52081 1 1022 . 1 . 1 104 104 SER HB2 H 1 3.810 0.000 . 2 . . . . . 264 S QB . 52081 1 1023 . 1 . 1 104 104 SER HB3 H 1 3.810 0.000 . 2 . . . . . 264 S QB . 52081 1 1024 . 1 . 1 104 104 SER C C 13 175.000 0.013 . 1 . . . . . 264 S C . 52081 1 1025 . 1 . 1 104 104 SER CA C 13 58.978 0.000 . 1 . . . . . 264 S CA . 52081 1 1026 . 1 . 1 104 104 SER CB C 13 64.024 0.000 . 1 . . . . . 264 S CB . 52081 1 1027 . 1 . 1 104 104 SER N N 15 116.722 0.018 . 1 . . . . . 264 S N . 52081 1 1028 . 1 . 1 105 105 ARG H H 1 8.273 0.007 . 1 . . . . . 265 R H . 52081 1 1029 . 1 . 1 105 105 ARG HA H 1 4.305 0.000 . 1 . . . . . 265 R HA . 52081 1 1030 . 1 . 1 105 105 ARG HB2 H 1 1.799 0.000 . 2 . . . . . 265 R QB . 52081 1 1031 . 1 . 1 105 105 ARG HB3 H 1 1.799 0.000 . 2 . . . . . 265 R QB . 52081 1 1032 . 1 . 1 105 105 ARG HG2 H 1 1.347 0.000 . 2 . . . . . 265 R QG . 52081 1 1033 . 1 . 1 105 105 ARG HG3 H 1 1.347 0.000 . 2 . . . . . 265 R QG . 52081 1 1034 . 1 . 1 105 105 ARG HD2 H 1 3.106 0.000 . 2 . . . . . 265 R QD . 52081 1 1035 . 1 . 1 105 105 ARG HD3 H 1 3.106 0.000 . 2 . . . . . 265 R QD . 52081 1 1036 . 1 . 1 105 105 ARG HE H 1 7.344 0.000 . 1 . . . . . 265 R HE . 52081 1 1037 . 1 . 1 105 105 ARG C C 13 176.831 0.013 . 1 . . . . . 265 R C . 52081 1 1038 . 1 . 1 105 105 ARG CA C 13 56.740 0.000 . 1 . . . . . 265 R CA . 52081 1 1039 . 1 . 1 105 105 ARG CB C 13 30.432 0.000 . 1 . . . . . 265 R CB . 52081 1 1040 . 1 . 1 105 105 ARG CG C 13 26.946 0.000 . 1 . . . . . 265 R CG . 52081 1 1041 . 1 . 1 105 105 ARG CD C 13 43.409 0.000 . 1 . . . . . 265 R CD . 52081 1 1042 . 1 . 1 105 105 ARG N N 15 122.322 0.016 . 1 . . . . . 265 R N . 52081 1 1043 . 1 . 1 105 105 ARG NE N 15 85.470 0.000 . 1 . . . . . 265 R NE . 52081 1 1044 . 1 . 1 106 106 THR H H 1 8.107 0.003 . 1 . . . . . 266 T H . 52081 1 1045 . 1 . 1 106 106 THR HA H 1 4.207 0.000 . 1 . . . . . 266 T HA . 52081 1 1046 . 1 . 1 106 106 THR HG21 H 1 1.126 0.000 . 1 . . . . . 266 T MG . 52081 1 1047 . 1 . 1 106 106 THR HG22 H 1 1.126 0.000 . 1 . . . . . 266 T MG . 52081 1 1048 . 1 . 1 106 106 THR HG23 H 1 1.126 0.000 . 1 . . . . . 266 T MG . 52081 1 1049 . 1 . 1 106 106 THR C C 13 174.446 0.009 . 1 . . . . . 266 T C . 52081 1 1050 . 1 . 1 106 106 THR CA C 13 62.227 0.000 . 1 . . . . . 266 T CA . 52081 1 1051 . 1 . 1 106 106 THR CB C 13 69.758 0.022 . 1 . . . . . 266 T CB . 52081 1 1052 . 1 . 1 106 106 THR CG2 C 13 21.574 0.000 . 1 . . . . . 266 T CG2 . 52081 1 1053 . 1 . 1 106 106 THR N N 15 114.608 0.026 . 1 . . . . . 266 T N . 52081 1 1054 . 1 . 1 107 107 LYS H H 1 8.235 0.000 . 1 . . . . . 267 K H . 52081 1 1055 . 1 . 1 107 107 LYS HA H 1 4.296 0.000 . 1 . . . . . 267 K HA . 52081 1 1056 . 1 . 1 107 107 LYS HB2 H 1 1.759 0.000 . 2 . . . . . 267 K QB . 52081 1 1057 . 1 . 1 107 107 LYS HB3 H 1 1.759 0.000 . 2 . . . . . 267 K QB . 52081 1 1058 . 1 . 1 107 107 LYS HG2 H 1 1.468 0.119 . 4 . . . . . 267 K QG . 52081 1 1059 . 1 . 1 107 107 LYS HG3 H 1 1.468 0.119 . 2 . . . . . 267 K QG . 52081 1 1060 . 1 . 1 107 107 LYS HE2 H 1 2.897 0.000 . 2 . . . . . 267 K QE . 52081 1 1061 . 1 . 1 107 107 LYS HE3 H 1 2.897 0.000 . 2 . . . . . 267 K QE . 52081 1 1062 . 1 . 1 107 107 LYS C C 13 176.507 0.006 . 1 . . . . . 267 K C . 52081 1 1063 . 1 . 1 107 107 LYS CA C 13 56.334 0.000 . 1 . . . . . 267 K CA . 52081 1 1064 . 1 . 1 107 107 LYS CB C 13 33.039 0.000 . 1 . . . . . 267 K CB . 52081 1 1065 . 1 . 1 107 107 LYS CG C 13 24.540 0.000 . 1 . . . . . 267 K CG . 52081 1 1066 . 1 . 1 107 107 LYS N N 15 124.065 0.048 . 1 . . . . . 267 K N . 52081 1 1067 . 1 . 1 108 108 SER H H 1 8.377 0.001 . 1 . . . . . 268 S H . 52081 1 1068 . 1 . 1 108 108 SER C C 13 174.967 0.869 . 1 . . . . . 268 S C . 52081 1 1069 . 1 . 1 108 108 SER CA C 13 58.338 0.000 . 1 . . . . . 268 S CA . 52081 1 1070 . 1 . 1 108 108 SER CB C 13 64.456 0.000 . 1 . . . . . 268 S CB . 52081 1 1071 . 1 . 1 108 108 SER N N 15 117.660 0.042 . 1 . . . . . 268 S N . 52081 1 1072 . 1 . 1 109 109 LYS N N 15 121.498 4.270 . 1 . . . . . 269 K N . 52081 1 1073 . 1 . 1 110 110 ASP C C 13 173.984 0.007 . 1 . . . . . 270 D C . 52081 1 1074 . 1 . 1 111 111 TYR H H 1 8.943 0.001 . 1 . . . . . 271 Y H . 52081 1 1075 . 1 . 1 111 111 TYR C C 13 175.004 0.008 . 1 . . . . . 271 Y C . 52081 1 1076 . 1 . 1 111 111 TYR N N 15 118.705 0.017 . 1 . . . . . 271 Y N . 52081 1 1077 . 1 . 1 112 112 CYS H H 1 9.270 0.001 . 1 . . . . . 272 C H . 52081 1 1078 . 1 . 1 112 112 CYS C C 13 171.493 0.017 . 1 . . . . . 272 C C . 52081 1 1079 . 1 . 1 112 112 CYS N N 15 114.895 0.011 . 1 . . . . . 272 C N . 52081 1 1080 . 1 . 1 113 113 LYS H H 1 9.114 0.001 . 1 . . . . . 273 K H . 52081 1 1081 . 1 . 1 113 113 LYS C C 13 175.807 0.008 . 1 . . . . . 273 K C . 52081 1 1082 . 1 . 1 113 113 LYS N N 15 123.152 0.006 . 1 . . . . . 273 K N . 52081 1 1083 . 1 . 1 114 114 VAL H H 1 8.986 0.000 . 1 . . . . . 274 V H . 52081 1 1084 . 1 . 1 114 114 VAL C C 13 176.644 0.004 . 1 . . . . . 274 V C . 52081 1 1085 . 1 . 1 114 114 VAL N N 15 127.529 0.012 . 1 . . . . . 274 V N . 52081 1 1086 . 1 . 1 115 115 ILE H H 1 9.029 0.000 . 1 . . . . . 275 I H . 52081 1 1087 . 1 . 1 115 115 ILE C C 13 174.410 0.000 . 1 . . . . . 275 I C . 52081 1 1088 . 1 . 1 115 115 ILE N N 15 126.668 0.009 . 1 . . . . . 275 I N . 52081 1 1089 . 1 . 1 116 116 PHE H H 1 7.722 0.000 . 1 . . . . . 276 F H . 52081 1 1090 . 1 . 1 116 116 PHE N N 15 121.993 0.004 . 1 . . . . . 276 F N . 52081 1 1091 . 1 . 1 117 117 PRO C C 13 175.767 0.012 . 1 . . . . . 277 P C . 52081 1 1092 . 1 . 1 118 118 TYR H H 1 8.522 0.005 . 1 . . . . . 278 Y H . 52081 1 1093 . 1 . 1 118 118 TYR C C 13 172.890 0.023 . 1 . . . . . 278 Y C . 52081 1 1094 . 1 . 1 118 118 TYR N N 15 118.266 0.014 . 1 . . . . . 278 Y N . 52081 1 1095 . 1 . 1 119 119 GLU H H 1 7.439 0.001 . 1 . . . . . 279 E H . 52081 1 1096 . 1 . 1 119 119 GLU C C 13 176.095 0.082 . 1 . . . . . 279 E C . 52081 1 1097 . 1 . 1 119 119 GLU N N 15 127.504 0.016 . 1 . . . . . 279 E N . 52081 1 1098 . 1 . 1 120 120 ALA H H 1 8.331 0.038 . 1 . . . . . 280 A H . 52081 1 1099 . 1 . 1 120 120 ALA C C 13 178.950 0.008 . 1 . . . . . 280 A C . 52081 1 1100 . 1 . 1 120 120 ALA N N 15 126.299 0.776 . 1 . . . . . 280 A N . 52081 1 1101 . 1 . 1 121 121 GLN H H 1 9.158 0.001 . 1 . . . . . 281 Q H . 52081 1 1102 . 1 . 1 121 121 GLN C C 13 175.206 0.001 . 1 . . . . . 281 Q C . 52081 1 1103 . 1 . 1 121 121 GLN N N 15 120.182 0.038 . 1 . . . . . 281 Q N . 52081 1 1104 . 1 . 1 122 122 ASN H H 1 7.404 0.002 . 1 . . . . . 282 N H . 52081 1 1105 . 1 . 1 122 122 ASN N N 15 113.557 0.010 . 1 . . . . . 282 N N . 52081 1 1106 . 1 . 1 123 123 ASP C C 13 171.327 0.002 . 1 . . . . . 283 D C . 52081 1 1107 . 1 . 1 124 124 ASP H H 1 8.508 0.000 . 1 . . . . . 284 D H . 52081 1 1108 . 1 . 1 124 124 ASP C C 13 175.841 0.015 . 1 . . . . . 284 D C . 52081 1 1109 . 1 . 1 124 124 ASP N N 15 115.993 0.007 . 1 . . . . . 284 D N . 52081 1 1110 . 1 . 1 125 125 GLU H H 1 7.510 0.002 . 1 . . . . . 285 E H . 52081 1 1111 . 1 . 1 125 125 GLU C C 13 175.078 0.046 . 1 . . . . . 285 E C . 52081 1 1112 . 1 . 1 125 125 GLU N N 15 119.047 0.045 . 1 . . . . . 285 E N . 52081 1 1113 . 1 . 1 126 126 LEU H H 1 8.872 0.000 . 1 . . . . . 286 L H . 52081 1 1114 . 1 . 1 126 126 LEU N N 15 123.492 0.044 . 1 . . . . . 286 L N . 52081 1 1115 . 1 . 1 127 127 THR H H 1 7.754 0.000 . 1 . . . . . 287 T H . 52081 1 1116 . 1 . 1 127 127 THR C C 13 175.301 0.007 . 1 . . . . . 287 T C . 52081 1 1117 . 1 . 1 127 127 THR N N 15 120.468 0.000 . 1 . . . . . 287 T N . 52081 1 1118 . 1 . 1 128 128 ILE H H 1 9.291 0.000 . 1 . . . . . 288 I H . 52081 1 1119 . 1 . 1 128 128 ILE C C 13 174.158 0.031 . 1 . . . . . 288 I C . 52081 1 1120 . 1 . 1 128 128 ILE N N 15 122.052 0.010 . 1 . . . . . 288 I N . 52081 1 1121 . 1 . 1 129 129 LYS H H 1 9.192 0.001 . 1 . . . . . 289 K H . 52081 1 1122 . 1 . 1 129 129 LYS C C 13 175.083 0.006 . 1 . . . . . 289 K C . 52081 1 1123 . 1 . 1 129 129 LYS N N 15 124.292 0.017 . 1 . . . . . 289 K N . 52081 1 1124 . 1 . 1 130 130 GLU H H 1 8.832 0.002 . 1 . . . . . 290 E H . 52081 1 1125 . 1 . 1 130 130 GLU C C 13 177.290 0.002 . 1 . . . . . 290 E C . 52081 1 1126 . 1 . 1 130 130 GLU N N 15 120.695 0.033 . 1 . . . . . 290 E N . 52081 1 1127 . 1 . 1 131 131 GLY H H 1 8.680 0.001 . 1 . . . . . 291 G H . 52081 1 1128 . 1 . 1 131 131 GLY N N 15 113.811 0.045 . 1 . . . . . 291 G N . 52081 1 1129 . 1 . 1 132 132 ASP H H 1 8.120 0.000 . 1 . . . . . 292 D H . 52081 1 1130 . 1 . 1 132 132 ASP N N 15 122.291 0.000 . 1 . . . . . 292 D N . 52081 1 1131 . 1 . 1 133 133 ILE H H 1 8.366 0.000 . 1 . . . . . 293 I H . 52081 1 1132 . 1 . 1 133 133 ILE C C 13 175.755 0.012 . 1 . . . . . 293 I C . 52081 1 1133 . 1 . 1 133 133 ILE N N 15 120.282 0.000 . 1 . . . . . 293 I N . 52081 1 1134 . 1 . 1 134 134 VAL H H 1 8.968 0.000 . 1 . . . . . 294 V H . 52081 1 1135 . 1 . 1 134 134 VAL C C 13 176.080 0.001 . 1 . . . . . 294 V C . 52081 1 1136 . 1 . 1 134 134 VAL N N 15 129.045 0.009 . 1 . . . . . 294 V N . 52081 1 1137 . 1 . 1 135 135 THR H H 1 8.999 0.001 . 1 . . . . . 295 T H . 52081 1 1138 . 1 . 1 135 135 THR C C 13 173.956 0.025 . 1 . . . . . 295 T C . 52081 1 1139 . 1 . 1 135 135 THR N N 15 124.748 0.015 . 1 . . . . . 295 T N . 52081 1 1140 . 1 . 1 136 136 LEU H H 1 8.890 0.001 . 1 . . . . . 296 L H . 52081 1 1141 . 1 . 1 136 136 LEU C C 13 175.633 0.001 . 1 . . . . . 296 L C . 52081 1 1142 . 1 . 1 136 136 LEU N N 15 130.549 0.022 . 1 . . . . . 296 L N . 52081 1 1143 . 1 . 1 137 137 ILE H H 1 8.963 0.002 . 1 . . . . . 297 I H . 52081 1 1144 . 1 . 1 137 137 ILE C C 13 175.817 0.000 . 1 . . . . . 297 I C . 52081 1 1145 . 1 . 1 137 137 ILE N N 15 125.537 0.008 . 1 . . . . . 297 I N . 52081 1 1146 . 1 . 1 138 138 ASN H H 1 7.790 0.001 . 1 . . . . . 298 N H . 52081 1 1147 . 1 . 1 138 138 ASN N N 15 115.969 0.017 . 1 . . . . . 298 N N . 52081 1 1148 . 1 . 1 139 139 LYS H H 1 8.576 0.000 . 1 . . . . . 299 K H . 52081 1 1149 . 1 . 1 139 139 LYS C C 13 175.773 0.003 . 1 . . . . . 299 K C . 52081 1 1150 . 1 . 1 139 139 LYS N N 15 124.225 0.000 . 1 . . . . . 299 K N . 52081 1 1151 . 1 . 1 140 140 ASP H H 1 7.974 0.000 . 1 . . . . . 300 D H . 52081 1 1152 . 1 . 1 140 140 ASP C C 13 175.553 0.005 . 1 . . . . . 300 D C . 52081 1 1153 . 1 . 1 140 140 ASP N N 15 121.333 0.009 . 1 . . . . . 300 D N . 52081 1 1154 . 1 . 1 141 141 CYS H H 1 7.939 0.001 . 1 . . . . . 301 C H . 52081 1 1155 . 1 . 1 141 141 CYS N N 15 120.429 0.019 . 1 . . . . . 301 C N . 52081 1 1156 . 1 . 1 143 143 ASP H H 1 7.541 0.000 . 1 . . . . . 303 D H . 52081 1 1157 . 1 . 1 143 143 ASP N N 15 119.289 0.000 . 1 . . . . . 303 D N . 52081 1 1158 . 1 . 1 144 144 VAL C C 13 177.269 0.010 . 1 . . . . . 304 V C . 52081 1 1159 . 1 . 1 145 145 GLY H H 1 8.730 0.013 . 1 . . . . . 305 G H . 52081 1 1160 . 1 . 1 145 145 GLY C C 13 173.632 0.016 . 1 . . . . . 305 G C . 52081 1 1161 . 1 . 1 145 145 GLY N N 15 113.970 0.016 . 1 . . . . . 305 G N . 52081 1 1162 . 1 . 1 146 146 TRP H H 1 7.564 0.001 . 1 . . . . . 306 W H . 52081 1 1163 . 1 . 1 146 146 TRP HE1 H 1 9.937 0.000 . 1 . . . . . 306 W HE1 . 52081 1 1164 . 1 . 1 146 146 TRP C C 13 173.880 0.018 . 1 . . . . . 306 W C . 52081 1 1165 . 1 . 1 146 146 TRP N N 15 121.253 0.028 . 1 . . . . . 306 W N . 52081 1 1166 . 1 . 1 146 146 TRP NE1 N 15 129.639 0.000 . 1 . . . . . 306 W NE1 . 52081 1 1167 . 1 . 1 147 147 TRP H H 1 8.532 0.000 . 1 . . . . . 307 W H . 52081 1 1168 . 1 . 1 147 147 TRP HE1 H 1 10.051 0.000 . 1 . . . . . 307 W HE1 . 52081 1 1169 . 1 . 1 147 147 TRP C C 13 173.365 0.000 . 1 . . . . . 307 W C . 52081 1 1170 . 1 . 1 147 147 TRP N N 15 122.038 0.016 . 1 . . . . . 307 W N . 52081 1 1171 . 1 . 1 147 147 TRP NE1 N 15 128.195 0.000 . 1 . . . . . 307 W NE1 . 52081 1 1172 . 1 . 1 148 148 GLU H H 1 8.549 0.000 . 1 . . . . . 308 E H . 52081 1 1173 . 1 . 1 148 148 GLU C C 13 176.788 0.003 . 1 . . . . . 308 E C . 52081 1 1174 . 1 . 1 148 148 GLU N N 15 118.276 0.014 . 1 . . . . . 308 E N . 52081 1 1175 . 1 . 1 149 149 GLY H H 1 9.462 0.004 . 1 . . . . . 309 G H . 52081 1 1176 . 1 . 1 149 149 GLY C C 13 169.610 0.005 . 1 . . . . . 309 G C . 52081 1 1177 . 1 . 1 149 149 GLY N N 15 114.860 0.016 . 1 . . . . . 309 G N . 52081 1 1178 . 1 . 1 150 150 GLU H H 1 9.064 0.001 . 1 . . . . . 310 E H . 52081 1 1179 . 1 . 1 150 150 GLU C C 13 174.333 0.003 . 1 . . . . . 310 E C . 52081 1 1180 . 1 . 1 150 150 GLU N N 15 118.434 0.007 . 1 . . . . . 310 E N . 52081 1 1181 . 1 . 1 151 151 LEU H H 1 9.033 0.003 . 1 . . . . . 311 L H . 52081 1 1182 . 1 . 1 151 151 LEU C C 13 176.055 0.003 . 1 . . . . . 311 L C . 52081 1 1183 . 1 . 1 151 151 LEU N N 15 125.324 0.019 . 1 . . . . . 311 L N . 52081 1 1184 . 1 . 1 152 152 ASN H H 1 9.841 0.002 . 1 . . . . . 312 N H . 52081 1 1185 . 1 . 1 152 152 ASN C C 13 175.181 0.026 . 1 . . . . . 312 N C . 52081 1 1186 . 1 . 1 152 152 ASN N N 15 127.716 0.041 . 1 . . . . . 312 N N . 52081 1 1187 . 1 . 1 153 153 GLY H H 1 8.986 0.001 . 1 . . . . . 313 G H . 52081 1 1188 . 1 . 1 153 153 GLY C C 13 173.745 0.005 . 1 . . . . . 313 G C . 52081 1 1189 . 1 . 1 153 153 GLY N N 15 104.427 0.009 . 1 . . . . . 313 G N . 52081 1 1190 . 1 . 1 154 154 ARG H H 1 7.867 0.002 . 1 . . . . . 314 R H . 52081 1 1191 . 1 . 1 154 154 ARG HE H 1 7.337 0.000 . 1 . . . . . 314 R HE . 52081 1 1192 . 1 . 1 154 154 ARG C C 13 173.959 0.033 . 1 . . . . . 314 R C . 52081 1 1193 . 1 . 1 154 154 ARG N N 15 121.572 0.009 . 1 . . . . . 314 R N . 52081 1 1194 . 1 . 1 154 154 ARG NE N 15 85.182 0.000 . 1 . . . . . 314 R NE . 52081 1 1195 . 1 . 1 155 155 ARG H H 1 8.585 0.000 . 1 . . . . . 315 R H . 52081 1 1196 . 1 . 1 155 155 ARG HE H 1 7.468 0.000 . 1 . . . . . 315 R HE . 52081 1 1197 . 1 . 1 155 155 ARG C C 13 176.306 0.020 . 1 . . . . . 315 R C . 52081 1 1198 . 1 . 1 155 155 ARG N N 15 122.030 0.013 . 1 . . . . . 315 R N . 52081 1 1199 . 1 . 1 155 155 ARG NE N 15 84.639 0.000 . 1 . . . . . 315 R NE . 52081 1 1200 . 1 . 1 156 156 GLY H H 1 8.891 0.000 . 1 . . . . . 316 G H . 52081 1 1201 . 1 . 1 156 156 GLY N N 15 110.297 0.035 . 1 . . . . . 316 G N . 52081 1 1202 . 1 . 1 157 157 VAL H H 1 8.796 0.000 . 1 . . . . . 317 V H . 52081 1 1203 . 1 . 1 157 157 VAL N N 15 112.818 0.000 . 1 . . . . . 317 V N . 52081 1 1204 . 1 . 1 158 158 PHE H H 1 8.838 0.000 . 1 . . . . . 318 F H . 52081 1 1205 . 1 . 1 158 158 PHE N N 15 118.125 0.000 . 1 . . . . . 318 F N . 52081 1 1206 . 1 . 1 159 159 PRO C C 13 177.998 0.001 . 1 . . . . . 319 P C . 52081 1 1207 . 1 . 1 160 160 ASP H H 1 7.869 0.002 . 1 . . . . . 320 D H . 52081 1 1208 . 1 . 1 160 160 ASP N N 15 123.689 0.011 . 1 . . . . . 320 D N . 52081 1 1209 . 1 . 1 161 161 ASN C C 13 175.772 0.009 . 1 . . . . . 321 N C . 52081 1 1210 . 1 . 1 162 162 PHE H H 1 7.708 0.002 . 1 . . . . . 322 F H . 52081 1 1211 . 1 . 1 162 162 PHE C C 13 175.012 0.020 . 1 . . . . . 322 F C . 52081 1 1212 . 1 . 1 162 162 PHE N N 15 120.372 0.014 . 1 . . . . . 322 F N . 52081 1 1213 . 1 . 1 163 163 VAL H H 1 7.252 0.003 . 1 . . . . . 323 V H . 52081 1 1214 . 1 . 1 163 163 VAL C C 13 173.523 0.009 . 1 . . . . . 323 V C . 52081 1 1215 . 1 . 1 163 163 VAL N N 15 108.957 0.017 . 1 . . . . . 323 V N . 52081 1 1216 . 1 . 1 164 164 LYS H H 1 8.971 0.001 . 1 . . . . . 324 K H . 52081 1 1217 . 1 . 1 164 164 LYS C C 13 175.929 0.012 . 1 . . . . . 324 K C . 52081 1 1218 . 1 . 1 164 164 LYS N N 15 119.043 0.017 . 1 . . . . . 324 K N . 52081 1 1219 . 1 . 1 165 165 LEU H H 1 9.104 0.000 . 1 . . . . . 325 L H . 52081 1 1220 . 1 . 1 165 165 LEU C C 13 176.885 0.015 . 1 . . . . . 325 L C . 52081 1 1221 . 1 . 1 165 165 LEU N N 15 127.141 0.012 . 1 . . . . . 325 L N . 52081 1 1222 . 1 . 1 166 166 LEU H H 1 8.431 0.001 . 1 . . . . . 326 L H . 52081 1 1223 . 1 . 1 166 166 LEU N N 15 126.844 0.018 . 1 . . . . . 326 L N . 52081 1 1224 . 1 . 1 167 167 PRO C C 13 174.994 0.005 . 1 . . . . . 327 P C . 52081 1 1225 . 1 . 1 167 167 PRO CA C 13 61.753 0.000 . 1 . . . . . 327 P CA . 52081 1 1226 . 1 . 1 167 167 PRO CB C 13 31.198 0.000 . 1 . . . . . 327 P CB . 52081 1 1227 . 1 . 1 168 168 PRO N N 15 133.345 0.008 . 1 . . . . . 328 P N . 52081 1 1228 . 1 . 1 169 169 ASP H H 1 8.259 0.000 . 1 . . . . . 329 D H . 52081 1 1229 . 1 . 1 169 169 ASP C C 13 176.069 0.005 . 1 . . . . . 329 D C . 52081 1 1230 . 1 . 1 169 169 ASP N N 15 116.812 0.000 . 1 . . . . . 329 D N . 52081 1 1231 . 1 . 1 170 170 PHE H H 1 7.872 0.001 . 1 . . . . . 330 F H . 52081 1 1232 . 1 . 1 170 170 PHE C C 13 175.123 0.005 . 1 . . . . . 330 F C . 52081 1 1233 . 1 . 1 170 170 PHE N N 15 120.715 0.005 . 1 . . . . . 330 F N . 52081 1 1234 . 1 . 1 171 171 GLU H H 1 7.913 0.000 . 1 . . . . . 331 E H . 52081 1 1235 . 1 . 1 171 171 GLU C C 13 174.931 0.015 . 1 . . . . . 331 E C . 52081 1 1236 . 1 . 1 171 171 GLU N N 15 124.086 0.022 . 1 . . . . . 331 E N . 52081 1 1237 . 1 . 1 172 172 LYS H H 1 7.903 0.000 . 1 . . . . . 332 K H . 52081 1 1238 . 1 . 1 172 172 LYS HA H 1 4.009 0.000 . 1 . . . . . 332 K HA . 52081 1 1239 . 1 . 1 172 172 LYS HB2 H 1 1.654 0.000 . 2 . . . . . 332 K QB . 52081 1 1240 . 1 . 1 172 172 LYS HB3 H 1 1.654 0.000 . 2 . . . . . 332 K QB . 52081 1 1241 . 1 . 1 172 172 LYS HG2 H 1 1.259 0.000 . 4 . . . . . 332 K QG . 52081 1 1242 . 1 . 1 172 172 LYS HG3 H 1 1.259 0.000 . 2 . . . . . 332 K QG . 52081 1 1243 . 1 . 1 172 172 LYS HD2 H 1 1.501 0.000 . 4 . . . . . 332 K QD . 52081 1 1244 . 1 . 1 172 172 LYS HD3 H 1 1.501 0.000 . 2 . . . . . 332 K QD . 52081 1 1245 . 1 . 1 172 172 LYS HE2 H 1 2.875 0.000 . 2 . . . . . 332 K QE . 52081 1 1246 . 1 . 1 172 172 LYS HE3 H 1 2.875 0.000 . 2 . . . . . 332 K QE . 52081 1 1247 . 1 . 1 172 172 LYS C C 13 175.445 0.016 . 1 . . . . . 332 K C . 52081 1 1248 . 1 . 1 172 172 LYS CA C 13 56.406 0.000 . 1 . . . . . 332 K CA . 52081 1 1249 . 1 . 1 172 172 LYS CB C 13 33.112 0.000 . 1 . . . . . 332 K CB . 52081 1 1250 . 1 . 1 172 172 LYS CG C 13 24.546 0.000 . 1 . . . . . 332 K CG . 52081 1 1251 . 1 . 1 172 172 LYS N N 15 122.769 0.024 . 1 . . . . . 332 K N . 52081 1 1252 . 1 . 1 173 173 GLU H H 1 8.018 0.000 . 1 . . . . . 333 E H . 52081 1 1253 . 1 . 1 173 173 GLU N N 15 127.843 0.023 . 1 . . . . . 333 E N . 52081 1 stop_ save_