data_52080 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52080 _Entry.Title ; CIN85(163-333)-R229A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-08-15 _Entry.Accession_date 2023-08-15 _Entry.Last_release_date 2023-08-16 _Entry.Original_release_date 2023-08-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Assigned NMR chemical shifts of the intrinsically disordered linker region between the SH3B and SH3C domain of the multidomain scaffold protein CIN85. This is the entry for the R229A mutant of the construct,in which the interaction of the SH3C domain to the adjacent linker is perturbed by the R/A mutation. ; _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 52080 2 Christian Griesinger . . . 0000-0002-1266-4344 52080 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' . 52080 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52080 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 468 52080 '15N chemical shifts' 168 52080 '1H chemical shifts' 729 52080 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' 52080 1 . . 2023-12-19 2023-08-15 original author 'original release' 52080 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.' 52080 BMRB 52081 'Entry for the wild-type construct.' 52080 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52080 _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 . . . . 52080 1 2 Michael Engelke . . . . 52080 1 3 Nasrollah Rezaei-Ghaleh . . . . 52080 1 4 Stefan Becker . . . . 52080 1 5 Jurgen Wienands . . . . 52080 1 6 Christian Griesinger . . . . 52080 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52080 _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)_R229A 1 $entity_1 . . yes 'partially disordered' yes no . . . 52080 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52080 _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 DKPIKLRPASIEVENDFLPV 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 R229A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18803.96 _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)' . . . . . . . . . . . . . . 52080 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 . 52080 1 2 162 SER . 52080 1 3 163 GLY . 52080 1 4 164 ILE . 52080 1 5 165 SER . 52080 1 6 166 GLN . 52080 1 7 167 ASP . 52080 1 8 168 GLU . 52080 1 9 169 GLN . 52080 1 10 170 LEU . 52080 1 11 171 SER . 52080 1 12 172 LYS . 52080 1 13 173 SER . 52080 1 14 174 SER . 52080 1 15 175 LEU . 52080 1 16 176 ARG . 52080 1 17 177 GLU . 52080 1 18 178 THR . 52080 1 19 179 THR . 52080 1 20 180 GLY . 52080 1 21 181 SER . 52080 1 22 182 GLU . 52080 1 23 183 SER . 52080 1 24 184 ASP . 52080 1 25 185 GLY . 52080 1 26 186 GLY . 52080 1 27 187 ASP . 52080 1 28 188 SER . 52080 1 29 189 SER . 52080 1 30 190 SER . 52080 1 31 191 THR . 52080 1 32 192 LYS . 52080 1 33 193 SER . 52080 1 34 194 GLU . 52080 1 35 195 GLY . 52080 1 36 196 ALA . 52080 1 37 197 ASN . 52080 1 38 198 GLY . 52080 1 39 199 THR . 52080 1 40 200 VAL . 52080 1 41 201 ALA . 52080 1 42 202 THR . 52080 1 43 203 ALA . 52080 1 44 204 ALA . 52080 1 45 205 ILE . 52080 1 46 206 GLN . 52080 1 47 207 PRO . 52080 1 48 208 LYS . 52080 1 49 209 LYS . 52080 1 50 210 VAL . 52080 1 51 211 LYS . 52080 1 52 212 GLY . 52080 1 53 213 VAL . 52080 1 54 214 GLY . 52080 1 55 215 PHE . 52080 1 56 216 GLY . 52080 1 57 217 ASP . 52080 1 58 218 ILE . 52080 1 59 219 PHE . 52080 1 60 220 LYS . 52080 1 61 221 ASP . 52080 1 62 222 LYS . 52080 1 63 223 PRO . 52080 1 64 224 ILE . 52080 1 65 225 LYS . 52080 1 66 226 LEU . 52080 1 67 227 ARG . 52080 1 68 228 PRO . 52080 1 69 229 ALA . 52080 1 70 230 SER . 52080 1 71 231 ILE . 52080 1 72 232 GLU . 52080 1 73 233 VAL . 52080 1 74 234 GLU . 52080 1 75 235 ASN . 52080 1 76 236 ASP . 52080 1 77 237 PHE . 52080 1 78 238 LEU . 52080 1 79 239 PRO . 52080 1 80 240 VAL . 52080 1 81 241 GLU . 52080 1 82 242 LYS . 52080 1 83 243 THR . 52080 1 84 244 ILE . 52080 1 85 245 GLY . 52080 1 86 246 LYS . 52080 1 87 247 LYS . 52080 1 88 248 LEU . 52080 1 89 249 PRO . 52080 1 90 250 ALA . 52080 1 91 251 THR . 52080 1 92 252 THR . 52080 1 93 253 ALA . 52080 1 94 254 THR . 52080 1 95 255 PRO . 52080 1 96 256 ASP . 52080 1 97 257 SER . 52080 1 98 258 SER . 52080 1 99 259 LYS . 52080 1 100 260 THR . 52080 1 101 261 GLU . 52080 1 102 262 MET . 52080 1 103 263 ASP . 52080 1 104 264 SER . 52080 1 105 265 ARG . 52080 1 106 266 THR . 52080 1 107 267 LYS . 52080 1 108 268 SER . 52080 1 109 269 LYS . 52080 1 110 270 ASP . 52080 1 111 271 TYR . 52080 1 112 272 CYS . 52080 1 113 273 LYS . 52080 1 114 274 VAL . 52080 1 115 275 ILE . 52080 1 116 276 PHE . 52080 1 117 277 PRO . 52080 1 118 278 TYR . 52080 1 119 279 GLU . 52080 1 120 280 ALA . 52080 1 121 281 GLN . 52080 1 122 282 ASN . 52080 1 123 283 ASP . 52080 1 124 284 ASP . 52080 1 125 285 GLU . 52080 1 126 286 LEU . 52080 1 127 287 THR . 52080 1 128 288 ILE . 52080 1 129 289 LYS . 52080 1 130 290 GLU . 52080 1 131 291 GLY . 52080 1 132 292 ASP . 52080 1 133 293 ILE . 52080 1 134 294 VAL . 52080 1 135 295 THR . 52080 1 136 296 LEU . 52080 1 137 297 ILE . 52080 1 138 298 ASN . 52080 1 139 299 LYS . 52080 1 140 300 ASP . 52080 1 141 301 CYS . 52080 1 142 302 ILE . 52080 1 143 303 ASP . 52080 1 144 304 VAL . 52080 1 145 305 GLY . 52080 1 146 306 TRP . 52080 1 147 307 TRP . 52080 1 148 308 GLU . 52080 1 149 309 GLY . 52080 1 150 310 GLU . 52080 1 151 311 LEU . 52080 1 152 312 ASN . 52080 1 153 313 GLY . 52080 1 154 314 ARG . 52080 1 155 315 ARG . 52080 1 156 316 GLY . 52080 1 157 317 VAL . 52080 1 158 318 PHE . 52080 1 159 319 PRO . 52080 1 160 320 ASP . 52080 1 161 321 ASN . 52080 1 162 322 PHE . 52080 1 163 323 VAL . 52080 1 164 324 LYS . 52080 1 165 325 LEU . 52080 1 166 326 LEU . 52080 1 167 327 PRO . 52080 1 168 328 PRO . 52080 1 169 329 ASP . 52080 1 170 330 PHE . 52080 1 171 331 GLU . 52080 1 172 332 LYS . 52080 1 173 333 GLU . 52080 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 52080 1 . SER 2 2 52080 1 . GLY 3 3 52080 1 . ILE 4 4 52080 1 . SER 5 5 52080 1 . GLN 6 6 52080 1 . ASP 7 7 52080 1 . GLU 8 8 52080 1 . GLN 9 9 52080 1 . LEU 10 10 52080 1 . SER 11 11 52080 1 . LYS 12 12 52080 1 . SER 13 13 52080 1 . SER 14 14 52080 1 . LEU 15 15 52080 1 . ARG 16 16 52080 1 . GLU 17 17 52080 1 . THR 18 18 52080 1 . THR 19 19 52080 1 . GLY 20 20 52080 1 . SER 21 21 52080 1 . GLU 22 22 52080 1 . SER 23 23 52080 1 . ASP 24 24 52080 1 . GLY 25 25 52080 1 . GLY 26 26 52080 1 . ASP 27 27 52080 1 . SER 28 28 52080 1 . SER 29 29 52080 1 . SER 30 30 52080 1 . THR 31 31 52080 1 . LYS 32 32 52080 1 . SER 33 33 52080 1 . GLU 34 34 52080 1 . GLY 35 35 52080 1 . ALA 36 36 52080 1 . ASN 37 37 52080 1 . GLY 38 38 52080 1 . THR 39 39 52080 1 . VAL 40 40 52080 1 . ALA 41 41 52080 1 . THR 42 42 52080 1 . ALA 43 43 52080 1 . ALA 44 44 52080 1 . ILE 45 45 52080 1 . GLN 46 46 52080 1 . PRO 47 47 52080 1 . LYS 48 48 52080 1 . LYS 49 49 52080 1 . VAL 50 50 52080 1 . LYS 51 51 52080 1 . GLY 52 52 52080 1 . VAL 53 53 52080 1 . GLY 54 54 52080 1 . PHE 55 55 52080 1 . GLY 56 56 52080 1 . ASP 57 57 52080 1 . ILE 58 58 52080 1 . PHE 59 59 52080 1 . LYS 60 60 52080 1 . ASP 61 61 52080 1 . LYS 62 62 52080 1 . PRO 63 63 52080 1 . ILE 64 64 52080 1 . LYS 65 65 52080 1 . LEU 66 66 52080 1 . ARG 67 67 52080 1 . PRO 68 68 52080 1 . ALA 69 69 52080 1 . SER 70 70 52080 1 . ILE 71 71 52080 1 . GLU 72 72 52080 1 . VAL 73 73 52080 1 . GLU 74 74 52080 1 . ASN 75 75 52080 1 . ASP 76 76 52080 1 . PHE 77 77 52080 1 . LEU 78 78 52080 1 . PRO 79 79 52080 1 . VAL 80 80 52080 1 . GLU 81 81 52080 1 . LYS 82 82 52080 1 . THR 83 83 52080 1 . ILE 84 84 52080 1 . GLY 85 85 52080 1 . LYS 86 86 52080 1 . LYS 87 87 52080 1 . LEU 88 88 52080 1 . PRO 89 89 52080 1 . ALA 90 90 52080 1 . THR 91 91 52080 1 . THR 92 92 52080 1 . ALA 93 93 52080 1 . THR 94 94 52080 1 . PRO 95 95 52080 1 . ASP 96 96 52080 1 . SER 97 97 52080 1 . SER 98 98 52080 1 . LYS 99 99 52080 1 . THR 100 100 52080 1 . GLU 101 101 52080 1 . MET 102 102 52080 1 . ASP 103 103 52080 1 . SER 104 104 52080 1 . ARG 105 105 52080 1 . THR 106 106 52080 1 . LYS 107 107 52080 1 . SER 108 108 52080 1 . LYS 109 109 52080 1 . ASP 110 110 52080 1 . TYR 111 111 52080 1 . CYS 112 112 52080 1 . LYS 113 113 52080 1 . VAL 114 114 52080 1 . ILE 115 115 52080 1 . PHE 116 116 52080 1 . PRO 117 117 52080 1 . TYR 118 118 52080 1 . GLU 119 119 52080 1 . ALA 120 120 52080 1 . GLN 121 121 52080 1 . ASN 122 122 52080 1 . ASP 123 123 52080 1 . ASP 124 124 52080 1 . GLU 125 125 52080 1 . LEU 126 126 52080 1 . THR 127 127 52080 1 . ILE 128 128 52080 1 . LYS 129 129 52080 1 . GLU 130 130 52080 1 . GLY 131 131 52080 1 . ASP 132 132 52080 1 . ILE 133 133 52080 1 . VAL 134 134 52080 1 . THR 135 135 52080 1 . LEU 136 136 52080 1 . ILE 137 137 52080 1 . ASN 138 138 52080 1 . LYS 139 139 52080 1 . ASP 140 140 52080 1 . CYS 141 141 52080 1 . ILE 142 142 52080 1 . ASP 143 143 52080 1 . VAL 144 144 52080 1 . GLY 145 145 52080 1 . TRP 146 146 52080 1 . TRP 147 147 52080 1 . GLU 148 148 52080 1 . GLY 149 149 52080 1 . GLU 150 150 52080 1 . LEU 151 151 52080 1 . ASN 152 152 52080 1 . GLY 153 153 52080 1 . ARG 154 154 52080 1 . ARG 155 155 52080 1 . GLY 156 156 52080 1 . VAL 157 157 52080 1 . PHE 158 158 52080 1 . PRO 159 159 52080 1 . ASP 160 160 52080 1 . ASN 161 161 52080 1 . PHE 162 162 52080 1 . VAL 163 163 52080 1 . LYS 164 164 52080 1 . LEU 165 165 52080 1 . LEU 166 166 52080 1 . PRO 167 167 52080 1 . PRO 168 168 52080 1 . ASP 169 169 52080 1 . PHE 170 170 52080 1 . GLU 171 171 52080 1 . LYS 172 172 52080 1 . GLU 173 173 52080 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 52080 _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) . . . . . . . . . . . . 52080 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 52080 _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 . . . 52080 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52080 _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 . . . . 52080 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 52080 1 3 'CIN85 monomer' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 52080 1 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 52080 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 52080 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . '% w/v' . . . . 52080 1 7 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 52080 1 8 D2O 'natural abundance' . . . . . . 5 . . '% v/v' . . . . 52080 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 52080 _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 52080 1 pH 6.0 . pH 52080 1 pressure 1 . atm 52080 1 temperature 298 . K 52080 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52080 _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' . 52080 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52080 _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 . 52080 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52080 _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' . 52080 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 52080 _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_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52080 _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 52080 1 2 '3D (H)CCCON' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 13C-detected 52080 1 3 '3D H(CC)CON' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 13C-detected 52080 1 4 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 13C-detected 52080 1 5 '2D (HACA)CON' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 13C-detected 52080 1 6 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52080 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 52080 _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 . . . . . 52080 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52080 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52080 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 52080 _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' . . . 52080 1 2 '3D (H)CCCON' . . . 52080 1 3 '3D H(CC)CON' . . . 52080 1 4 '3D HNCO' . . . 52080 1 5 '2D (HACA)CON' . . . 52080 1 6 '2D 1H-15N TROSY' . . . 52080 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 . . 52080 1 2 $software_2 . . 52080 1 3 $software_3 . . 52080 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 4.451 0.000 . 1 . . . . . 162 S HA . 52080 1 2 . 1 . 1 2 2 SER HB2 H 1 3.816 0.000 . 2 . . . . . 162 S QB . 52080 1 3 . 1 . 1 2 2 SER HB3 H 1 3.816 0.000 . 2 . . . . . 162 S QB . 52080 1 4 . 1 . 1 2 2 SER C C 13 174.913 0.000 . 1 . . . . . 162 S C . 52080 1 5 . 1 . 1 2 2 SER CA C 13 58.465 0.000 . 1 . . . . . 162 S CA . 52080 1 6 . 1 . 1 2 2 SER CB C 13 64.460 0.000 . 1 . . . . . 162 S CB . 52080 1 7 . 1 . 1 3 3 GLY H H 1 8.574 0.000 . 1 . . . . . 163 G H . 52080 1 8 . 1 . 1 3 3 GLY HA2 H 1 3.907 0.000 . 2 . . . . . 163 G QA . 52080 1 9 . 1 . 1 3 3 GLY HA3 H 1 3.907 0.000 . 2 . . . . . 163 G QA . 52080 1 10 . 1 . 1 3 3 GLY C C 13 173.992 0.001 . 1 . . . . . 163 G C . 52080 1 11 . 1 . 1 3 3 GLY CA C 13 45.338 0.000 . 1 . . . . . 163 G CA . 52080 1 12 . 1 . 1 3 3 GLY N N 15 111.283 0.054 . 1 . . . . . 163 G N . 52080 1 13 . 1 . 1 4 4 ILE H H 1 8.067 0.001 . 1 . . . . . 164 I H . 52080 1 14 . 1 . 1 4 4 ILE HA H 1 4.163 0.000 . 1 . . . . . 164 I HA . 52080 1 15 . 1 . 1 4 4 ILE HB H 1 1.790 0.000 . 1 . . . . . 164 I HB . 52080 1 16 . 1 . 1 4 4 ILE HG12 H 1 1.087 0.000 . 2 . . . . . 164 I HG1# . 52080 1 17 . 1 . 1 4 4 ILE HG13 H 1 1.087 0.000 . 2 . . . . . 164 I HG1# . 52080 1 18 . 1 . 1 4 4 ILE HG21 H 1 1.352 0.000 . 1 . . . . . 164 I HG2 . 52080 1 19 . 1 . 1 4 4 ILE HG22 H 1 1.352 0.000 . 1 . . . . . 164 I HG2 . 52080 1 20 . 1 . 1 4 4 ILE HG23 H 1 1.352 0.000 . 1 . . . . . 164 I HG2 . 52080 1 21 . 1 . 1 4 4 ILE HD11 H 1 0.815 0.000 . 1 . . . . . 164 I HD1 . 52080 1 22 . 1 . 1 4 4 ILE HD12 H 1 0.815 0.000 . 1 . . . . . 164 I HD1 . 52080 1 23 . 1 . 1 4 4 ILE HD13 H 1 0.815 0.000 . 1 . . . . . 164 I HD1 . 52080 1 24 . 1 . 1 4 4 ILE C C 13 176.486 0.002 . 1 . . . . . 164 I C . 52080 1 25 . 1 . 1 4 4 ILE CA C 13 61.185 0.000 . 1 . . . . . 164 I CA . 52080 1 26 . 1 . 1 4 4 ILE CB C 13 38.840 0.000 . 1 . . . . . 164 I CB . 52080 1 27 . 1 . 1 4 4 ILE CG1 C 13 27.040 0.000 . 1 . . . . . 164 I CG1 . 52080 1 28 . 1 . 1 4 4 ILE CG2 C 13 17.340 0.000 . 1 . . . . . 164 I CG2 . 52080 1 29 . 1 . 1 4 4 ILE CD1 C 13 13.240 0.000 . 1 . . . . . 164 I CD1 . 52080 1 30 . 1 . 1 4 4 ILE N N 15 119.927 0.054 . 1 . . . . . 164 I N . 52080 1 31 . 1 . 1 5 5 SER H H 1 8.477 0.001 . 1 . . . . . 165 S H . 52080 1 32 . 1 . 1 5 5 SER HA H 1 3.955 0.000 . 1 . . . . . 165 S HA . 52080 1 33 . 1 . 1 5 5 SER C C 13 174.790 0.009 . 1 . . . . . 165 S C . 52080 1 34 . 1 . 1 5 5 SER CA C 13 58.443 0.000 . 1 . . . . . 165 S CA . 52080 1 35 . 1 . 1 5 5 SER CB C 13 64.316 0.000 . 1 . . . . . 165 S CB . 52080 1 36 . 1 . 1 5 5 SER N N 15 120.271 0.061 . 1 . . . . . 165 S N . 52080 1 37 . 1 . 1 6 6 GLN H H 1 8.563 0.000 . 1 . . . . . 166 Q H . 52080 1 38 . 1 . 1 6 6 GLN HA H 1 4.242 0.000 . 1 . . . . . 166 Q HA . 52080 1 39 . 1 . 1 6 6 GLN HB2 H 1 2.056 0.000 . 2 . . . . . 166 Q HB2 . 52080 1 40 . 1 . 1 6 6 GLN HB3 H 1 1.939 0.000 . 2 . . . . . 166 Q HB3 . 52080 1 41 . 1 . 1 6 6 GLN HG2 H 1 2.285 0.000 . 2 . . . . . 166 Q QG . 52080 1 42 . 1 . 1 6 6 GLN HG3 H 1 2.285 0.000 . 2 . . . . . 166 Q QG . 52080 1 43 . 1 . 1 6 6 GLN C C 13 176.015 0.001 . 1 . . . . . 166 Q C . 52080 1 44 . 1 . 1 6 6 GLN CA C 13 56.551 0.000 . 1 . . . . . 166 Q CA . 52080 1 45 . 1 . 1 6 6 GLN CB C 13 29.194 0.000 . 1 . . . . . 166 Q CB . 52080 1 46 . 1 . 1 6 6 GLN CG C 13 33.692 0.000 . 1 . . . . . 166 Q CG . 52080 1 47 . 1 . 1 6 6 GLN N N 15 122.713 0.059 . 1 . . . . . 166 Q N . 52080 1 48 . 1 . 1 7 7 ASP H H 1 8.328 0.000 . 1 . . . . . 167 D H . 52080 1 49 . 1 . 1 7 7 ASP HA H 1 4.481 0.000 . 1 . . . . . 167 D HA . 52080 1 50 . 1 . 1 7 7 ASP HB2 H 1 2.624 0.000 . 2 . . . . . 167 D HB2 . 52080 1 51 . 1 . 1 7 7 ASP HB3 H 1 2.530 0.000 . 2 . . . . . 167 D HB3 . 52080 1 52 . 1 . 1 7 7 ASP C C 13 176.860 0.001 . 1 . . . . . 167 D C . 52080 1 53 . 1 . 1 7 7 ASP CA C 13 54.968 0.000 . 1 . . . . . 167 D CA . 52080 1 54 . 1 . 1 7 7 ASP CB C 13 41.099 0.000 . 1 . . . . . 167 D CB . 52080 1 55 . 1 . 1 7 7 ASP N N 15 120.800 0.051 . 1 . . . . . 167 D N . 52080 1 56 . 1 . 1 8 8 GLU H H 1 8.331 0.000 . 1 . . . . . 168 E H . 52080 1 57 . 1 . 1 8 8 GLU HA H 1 4.139 0.000 . 1 . . . . . 168 E HA . 52080 1 58 . 1 . 1 8 8 GLU HB2 H 1 1.921 0.000 . 2 . . . . . 168 E QB . 52080 1 59 . 1 . 1 8 8 GLU HB3 H 1 1.921 0.000 . 2 . . . . . 168 E QB . 52080 1 60 . 1 . 1 8 8 GLU HG2 H 1 2.182 0.000 . 2 . . . . . 168 E QG . 52080 1 61 . 1 . 1 8 8 GLU HG3 H 1 2.182 0.000 . 2 . . . . . 168 E QG . 52080 1 62 . 1 . 1 8 8 GLU C C 13 177.067 0.001 . 1 . . . . . 168 E C . 52080 1 63 . 1 . 1 8 8 GLU CA C 13 57.533 0.000 . 1 . . . . . 168 E CA . 52080 1 64 . 1 . 1 8 8 GLU CB C 13 29.869 0.000 . 1 . . . . . 168 E CB . 52080 1 65 . 1 . 1 8 8 GLU CG C 13 36.212 0.000 . 1 . . . . . 168 E CG . 52080 1 66 . 1 . 1 8 8 GLU N N 15 121.693 0.034 . 1 . . . . . 168 E N . 52080 1 67 . 1 . 1 9 9 GLN H H 1 8.362 0.000 . 1 . . . . . 169 Q H . 52080 1 68 . 1 . 1 9 9 GLN HA H 1 4.165 0.000 . 1 . . . . . 169 Q HA . 52080 1 69 . 1 . 1 9 9 GLN HB2 H 1 1.991 0.000 . 2 . . . . . 169 Q QB . 52080 1 70 . 1 . 1 9 9 GLN HB3 H 1 1.991 0.000 . 2 . . . . . 169 Q QB . 52080 1 71 . 1 . 1 9 9 GLN HG2 H 1 2.294 0.000 . 2 . . . . . 169 Q QG . 52080 1 72 . 1 . 1 9 9 GLN HG3 H 1 2.294 0.000 . 2 . . . . . 169 Q QG . 52080 1 73 . 1 . 1 9 9 GLN C C 13 176.681 0.001 . 1 . . . . . 169 Q C . 52080 1 74 . 1 . 1 9 9 GLN CA C 13 56.668 0.000 . 1 . . . . . 169 Q CA . 52080 1 75 . 1 . 1 9 9 GLN CB C 13 28.883 0.000 . 1 . . . . . 169 Q CB . 52080 1 76 . 1 . 1 9 9 GLN CG C 13 33.784 0.000 . 1 . . . . . 169 Q CG . 52080 1 77 . 1 . 1 9 9 GLN N N 15 120.298 0.044 . 1 . . . . . 169 Q N . 52080 1 78 . 1 . 1 10 10 LEU H H 1 8.145 0.000 . 1 . . . . . 170 L H . 52080 1 79 . 1 . 1 10 10 LEU HA H 1 4.236 0.000 . 1 . . . . . 170 L HA . 52080 1 80 . 1 . 1 10 10 LEU HB2 H 1 1.605 0.000 . 2 . . . . . 170 L QB . 52080 1 81 . 1 . 1 10 10 LEU HB3 H 1 1.605 0.000 . 2 . . . . . 170 L QB . 52080 1 82 . 1 . 1 10 10 LEU HG H 1 1.520 0.000 . 1 . . . . . 170 L HG . 52080 1 83 . 1 . 1 10 10 LEU HD11 H 1 0.820 0.000 . 2 . . . . . 170 L HD1# . 52080 1 84 . 1 . 1 10 10 LEU HD12 H 1 0.820 0.000 . 2 . . . . . 170 L HD1# . 52080 1 85 . 1 . 1 10 10 LEU HD13 H 1 0.820 0.000 . 2 . . . . . 170 L HD1# . 52080 1 86 . 1 . 1 10 10 LEU HD21 H 1 0.820 0.000 . 2 . . . . . 170 L HD2# . 52080 1 87 . 1 . 1 10 10 LEU HD22 H 1 0.820 0.000 . 2 . . . . . 170 L HD2# . 52080 1 88 . 1 . 1 10 10 LEU HD23 H 1 0.820 0.000 . 2 . . . . . 170 L HD2# . 52080 1 89 . 1 . 1 10 10 LEU C C 13 177.940 0.001 . 1 . . . . . 170 L C . 52080 1 90 . 1 . 1 10 10 LEU CA C 13 55.772 0.000 . 1 . . . . . 170 L CA . 52080 1 91 . 1 . 1 10 10 LEU CB C 13 42.222 0.000 . 1 . . . . . 170 L CB . 52080 1 92 . 1 . 1 10 10 LEU CG C 13 26.850 0.000 . 1 . . . . . 170 L CG . 52080 1 93 . 1 . 1 10 10 LEU CD1 C 13 24.574 0.000 . 2 . . . . . 170 L CD1 . 52080 1 94 . 1 . 1 10 10 LEU CD2 C 13 23.117 0.000 . 2 . . . . . 170 L CD2 . 52080 1 95 . 1 . 1 10 10 LEU N N 15 122.081 0.035 . 1 . . . . . 170 L N . 52080 1 96 . 1 . 1 11 11 SER H H 1 8.202 0.000 . 1 . . . . . 171 S H . 52080 1 97 . 1 . 1 11 11 SER HA H 1 4.316 0.000 . 1 . . . . . 171 S HA . 52080 1 98 . 1 . 1 11 11 SER HB2 H 1 3.825 0.000 . 2 . . . . . 171 S QB . 52080 1 99 . 1 . 1 11 11 SER HB3 H 1 3.825 0.000 . 2 . . . . . 171 S QB . 52080 1 100 . 1 . 1 11 11 SER C C 13 175.005 0.003 . 1 . . . . . 171 S C . 52080 1 101 . 1 . 1 11 11 SER CA C 13 58.807 0.000 . 1 . . . . . 171 S CA . 52080 1 102 . 1 . 1 11 11 SER CB C 13 64.133 0.000 . 1 . . . . . 171 S CB . 52080 1 103 . 1 . 1 11 11 SER N N 15 115.904 0.032 . 1 . . . . . 171 S N . 52080 1 104 . 1 . 1 12 12 LYS H H 1 8.242 0.003 . 1 . . . . . 172 K H . 52080 1 105 . 1 . 1 12 12 LYS HA H 1 4.268 0.000 . 1 . . . . . 172 K HA . 52080 1 106 . 1 . 1 12 12 LYS HB2 H 1 1.808 0.000 . 2 . . . . . 172 K HB2 . 52080 1 107 . 1 . 1 12 12 LYS HB3 H 1 1.736 0.000 . 2 . . . . . 172 K HB3 . 52080 1 108 . 1 . 1 12 12 LYS HG2 H 1 1.381 0.000 . 4 . . . . . 172 K QG . 52080 1 109 . 1 . 1 12 12 LYS HG3 H 1 1.381 0.000 . 2 . . . . . 172 K QG . 52080 1 110 . 1 . 1 12 12 LYS HD2 H 1 1.628 0.000 . 4 . . . . . 172 K QD . 52080 1 111 . 1 . 1 12 12 LYS HD3 H 1 1.628 0.000 . 2 . . . . . 172 K QD . 52080 1 112 . 1 . 1 12 12 LYS HE2 H 1 2.911 0.000 . 2 . . . . . 172 K QE . 52080 1 113 . 1 . 1 12 12 LYS HE3 H 1 2.911 0.000 . 2 . . . . . 172 K QE . 52080 1 114 . 1 . 1 12 12 LYS C C 13 177.027 0.003 . 1 . . . . . 172 K C . 52080 1 115 . 1 . 1 12 12 LYS CA C 13 56.850 0.000 . 1 . . . . . 172 K CA . 52080 1 116 . 1 . 1 12 12 LYS CB C 13 32.768 0.000 . 1 . . . . . 172 K CB . 52080 1 117 . 1 . 1 12 12 LYS CG C 13 24.771 0.000 . 1 . . . . . 172 K CG . 52080 1 118 . 1 . 1 12 12 LYS CD C 13 28.913 0.000 . 1 . . . . . 172 K CD . 52080 1 119 . 1 . 1 12 12 LYS N N 15 122.830 0.059 . 1 . . . . . 172 K N . 52080 1 120 . 1 . 1 13 13 SER H H 1 8.259 0.000 . 1 . . . . . 173 S H . 52080 1 121 . 1 . 1 13 13 SER HA H 1 4.357 0.000 . 1 . . . . . 173 S HA . 52080 1 122 . 1 . 1 13 13 SER HB2 H 1 3.811 0.000 . 2 . . . . . 173 S QB . 52080 1 123 . 1 . 1 13 13 SER HB3 H 1 3.811 0.000 . 2 . . . . . 173 S QB . 52080 1 124 . 1 . 1 13 13 SER C C 13 174.881 0.001 . 1 . . . . . 173 S C . 52080 1 125 . 1 . 1 13 13 SER CA C 13 58.853 0.000 . 1 . . . . . 173 S CA . 52080 1 126 . 1 . 1 13 13 SER CB C 13 64.300 0.000 . 1 . . . . . 173 S CB . 52080 1 127 . 1 . 1 13 13 SER N N 15 116.250 0.053 . 1 . . . . . 173 S N . 52080 1 128 . 1 . 1 14 14 SER H H 1 8.291 0.000 . 1 . . . . . 174 S H . 52080 1 129 . 1 . 1 14 14 SER HA H 1 4.381 0.000 . 1 . . . . . 174 S HA . 52080 1 130 . 1 . 1 14 14 SER HB2 H 1 3.815 0.000 . 2 . . . . . 174 S QB . 52080 1 131 . 1 . 1 14 14 SER HB3 H 1 3.815 0.000 . 2 . . . . . 174 S QB . 52080 1 132 . 1 . 1 14 14 SER C C 13 174.541 0.002 . 1 . . . . . 174 S C . 52080 1 133 . 1 . 1 14 14 SER CA C 13 58.695 0.000 . 1 . . . . . 174 S CA . 52080 1 134 . 1 . 1 14 14 SER CB C 13 64.118 0.000 . 1 . . . . . 174 S CB . 52080 1 135 . 1 . 1 14 14 SER N N 15 117.944 0.040 . 1 . . . . . 174 S N . 52080 1 136 . 1 . 1 15 15 LEU H H 1 8.142 0.007 . 1 . . . . . 175 L H . 52080 1 137 . 1 . 1 15 15 LEU HA H 1 4.265 0.000 . 1 . . . . . 175 L HA . 52080 1 138 . 1 . 1 15 15 LEU HB2 H 1 1.548 0.000 . 2 . . . . . 175 L QB . 52080 1 139 . 1 . 1 15 15 LEU HB3 H 1 1.548 0.000 . 2 . . . . . 175 L QB . 52080 1 140 . 1 . 1 15 15 LEU HG H 1 1.546 0.000 . 1 . . . . . 175 L HG . 52080 1 141 . 1 . 1 15 15 LEU HD11 H 1 0.817 0.000 . 2 . . . . . 175 L HD1# . 52080 1 142 . 1 . 1 15 15 LEU HD12 H 1 0.817 0.000 . 2 . . . . . 175 L HD1# . 52080 1 143 . 1 . 1 15 15 LEU HD13 H 1 0.817 0.000 . 2 . . . . . 175 L HD1# . 52080 1 144 . 1 . 1 15 15 LEU HD21 H 1 0.817 0.000 . 2 . . . . . 175 L HD2# . 52080 1 145 . 1 . 1 15 15 LEU HD22 H 1 0.817 0.000 . 2 . . . . . 175 L HD2# . 52080 1 146 . 1 . 1 15 15 LEU HD23 H 1 0.817 0.000 . 2 . . . . . 175 L HD2# . 52080 1 147 . 1 . 1 15 15 LEU C C 13 177.351 0.002 . 1 . . . . . 175 L C . 52080 1 148 . 1 . 1 15 15 LEU CA C 13 55.560 0.000 . 1 . . . . . 175 L CA . 52080 1 149 . 1 . 1 15 15 LEU CB C 13 42.252 0.000 . 1 . . . . . 175 L CB . 52080 1 150 . 1 . 1 15 15 LEU CG C 13 26.850 0.000 . 1 . . . . . 175 L CG . 52080 1 151 . 1 . 1 15 15 LEU CD1 C 13 24.528 0.000 . 2 . . . . . 175 L CD1 . 52080 1 152 . 1 . 1 15 15 LEU CD2 C 13 23.162 0.000 . 2 . . . . . 175 L CD2 . 52080 1 153 . 1 . 1 15 15 LEU N N 15 123.627 0.049 . 1 . . . . . 175 L N . 52080 1 154 . 1 . 1 16 16 ARG H H 1 8.226 0.000 . 1 . . . . . 176 R H . 52080 1 155 . 1 . 1 16 16 ARG HA H 1 4.253 0.000 . 1 . . . . . 176 R HA . 52080 1 156 . 1 . 1 16 16 ARG HB2 H 1 1.758 0.000 . 2 . . . . . 176 R QB . 52080 1 157 . 1 . 1 16 16 ARG HB3 H 1 1.758 0.000 . 2 . . . . . 176 R QB . 52080 1 158 . 1 . 1 16 16 ARG HG2 H 1 1.649 0.000 . 2 . . . . . 176 R HG2 . 52080 1 159 . 1 . 1 16 16 ARG HG3 H 1 1.560 0.000 . 2 . . . . . 176 R HG3 . 52080 1 160 . 1 . 1 16 16 ARG HD2 H 1 3.105 0.000 . 2 . . . . . 176 R QD . 52080 1 161 . 1 . 1 16 16 ARG HD3 H 1 3.105 0.000 . 2 . . . . . 176 R QD . 52080 1 162 . 1 . 1 16 16 ARG HE H 1 7.205 0.000 . 1 . . . . . 176 R HE . 52080 1 163 . 1 . 1 16 16 ARG C C 13 176.279 0.002 . 1 . . . . . 176 R C . 52080 1 164 . 1 . 1 16 16 ARG CA C 13 56.334 0.000 . 1 . . . . . 176 R CA . 52080 1 165 . 1 . 1 16 16 ARG CB C 13 30.719 0.000 . 1 . . . . . 176 R CB . 52080 1 166 . 1 . 1 16 16 ARG CG C 13 26.880 0.000 . 1 . . . . . 176 R CG . 52080 1 167 . 1 . 1 16 16 ARG CD C 13 43.314 0.000 . 1 . . . . . 176 R CD . 52080 1 168 . 1 . 1 16 16 ARG N N 15 121.598 0.031 . 1 . . . . . 176 R N . 52080 1 169 . 1 . 1 16 16 ARG NE N 15 84.786 0.000 . 1 . . . . . 176 R NE . 52080 1 170 . 1 . 1 17 17 GLU H H 1 8.451 0.000 . 1 . . . . . 177 E H . 52080 1 171 . 1 . 1 17 17 GLU HA H 1 4.284 0.000 . 1 . . . . . 177 E HA . 52080 1 172 . 1 . 1 17 17 GLU HB2 H 1 1.995 0.000 . 2 . . . . . 177 E HB2 . 52080 1 173 . 1 . 1 17 17 GLU HB3 H 1 1.929 0.000 . 2 . . . . . 177 E HB3 . 52080 1 174 . 1 . 1 17 17 GLU HG2 H 1 2.196 0.000 . 2 . . . . . 177 E QG . 52080 1 175 . 1 . 1 17 17 GLU HG3 H 1 2.196 0.000 . 2 . . . . . 177 E QG . 52080 1 176 . 1 . 1 17 17 GLU C C 13 176.743 0.001 . 1 . . . . . 177 E C . 52080 1 177 . 1 . 1 17 17 GLU CA C 13 56.789 0.000 . 1 . . . . . 177 E CA . 52080 1 178 . 1 . 1 17 17 GLU CB C 13 30.173 0.000 . 1 . . . . . 177 E CB . 52080 1 179 . 1 . 1 17 17 GLU CG C 13 36.182 0.000 . 1 . . . . . 177 E CG . 52080 1 180 . 1 . 1 17 17 GLU N N 15 122.072 0.037 . 1 . . . . . 177 E N . 52080 1 181 . 1 . 1 18 18 THR H H 1 8.262 0.000 . 1 . . . . . 178 T H . 52080 1 182 . 1 . 1 18 18 THR HA H 1 4.199 0.000 . 1 . . . . . 178 T HA . 52080 1 183 . 1 . 1 18 18 THR HB H 1 4.008 0.000 . 1 . . . . . 178 T HB . 52080 1 184 . 1 . 1 18 18 THR HG21 H 1 1.128 0.000 . 1 . . . . . 178 T MG . 52080 1 185 . 1 . 1 18 18 THR HG22 H 1 1.128 0.000 . 1 . . . . . 178 T MG . 52080 1 186 . 1 . 1 18 18 THR HG23 H 1 1.128 0.000 . 1 . . . . . 178 T MG . 52080 1 187 . 1 . 1 18 18 THR C C 13 174.875 0.003 . 1 . . . . . 178 T C . 52080 1 188 . 1 . 1 18 18 THR CA C 13 61.823 0.000 . 1 . . . . . 178 T CA . 52080 1 189 . 1 . 1 18 18 THR CB C 13 69.976 0.000 . 1 . . . . . 178 T CB . 52080 1 190 . 1 . 1 18 18 THR CG2 C 13 21.372 0.000 . 1 . . . . . 178 T CG2 . 52080 1 191 . 1 . 1 18 18 THR N N 15 114.974 0.032 . 1 . . . . . 178 T N . 52080 1 192 . 1 . 1 19 19 THR H H 1 8.304 0.000 . 1 . . . . . 179 T H . 52080 1 193 . 1 . 1 19 19 THR HA H 1 4.191 0.000 . 1 . . . . . 179 T HA . 52080 1 194 . 1 . 1 19 19 THR HG21 H 1 1.147 0.000 . 1 . . . . . 179 T MG . 52080 1 195 . 1 . 1 19 19 THR HG22 H 1 1.147 0.000 . 1 . . . . . 179 T MG . 52080 1 196 . 1 . 1 19 19 THR HG23 H 1 1.147 0.000 . 1 . . . . . 179 T MG . 52080 1 197 . 1 . 1 19 19 THR C C 13 175.253 0.001 . 1 . . . . . 179 T C . 52080 1 198 . 1 . 1 19 19 THR N N 15 116.016 0.031 . 1 . . . . . 179 T N . 52080 1 199 . 1 . 1 20 20 GLY H H 1 8.527 0.000 . 1 . . . . . 180 G H . 52080 1 200 . 1 . 1 20 20 GLY HA2 H 1 3.963 0.000 . 2 . . . . . 180 G QA . 52080 1 201 . 1 . 1 20 20 GLY HA3 H 1 3.963 0.000 . 2 . . . . . 180 G QA . 52080 1 202 . 1 . 1 20 20 GLY C C 13 174.298 0.002 . 1 . . . . . 180 G C . 52080 1 203 . 1 . 1 20 20 GLY CA C 13 45.433 0.000 . 1 . . . . . 180 G CA . 52080 1 204 . 1 . 1 20 20 GLY N N 15 111.681 0.020 . 1 . . . . . 180 G N . 52080 1 205 . 1 . 1 21 21 SER H H 1 8.287 0.000 . 1 . . . . . 181 S H . 52080 1 206 . 1 . 1 21 21 SER HA H 1 4.424 0.000 . 1 . . . . . 181 S HA . 52080 1 207 . 1 . 1 21 21 SER HB2 H 1 3.782 0.000 . 2 . . . . . 181 S QB . 52080 1 208 . 1 . 1 21 21 SER HB3 H 1 3.782 0.000 . 2 . . . . . 181 S QB . 52080 1 209 . 1 . 1 21 21 SER C C 13 174.855 0.003 . 1 . . . . . 181 S C . 52080 1 210 . 1 . 1 21 21 SER CA C 13 58.404 0.000 . 1 . . . . . 181 S CA . 52080 1 211 . 1 . 1 21 21 SER CB C 13 64.443 0.000 . 1 . . . . . 181 S CB . 52080 1 212 . 1 . 1 21 21 SER N N 15 115.846 0.041 . 1 . . . . . 181 S N . 52080 1 213 . 1 . 1 22 22 GLU H H 1 8.669 0.000 . 1 . . . . . 182 E H . 52080 1 214 . 1 . 1 22 22 GLU HA H 1 4.245 0.000 . 1 . . . . . 182 E HA . 52080 1 215 . 1 . 1 22 22 GLU HB2 H 1 2.003 0.000 . 2 . . . . . 182 E HB2 . 52080 1 216 . 1 . 1 22 22 GLU HB3 H 1 1.885 0.000 . 2 . . . . . 182 E HB3 . 52080 1 217 . 1 . 1 22 22 GLU HG2 H 1 2.219 0.000 . 2 . . . . . 182 E QG . 52080 1 218 . 1 . 1 22 22 GLU HG3 H 1 2.219 0.000 . 2 . . . . . 182 E QG . 52080 1 219 . 1 . 1 22 22 GLU C C 13 176.803 0.003 . 1 . . . . . 182 E C . 52080 1 220 . 1 . 1 22 22 GLU CA C 13 57.184 0.000 . 1 . . . . . 182 E CA . 52080 1 221 . 1 . 1 22 22 GLU CB C 13 29.685 0.000 . 1 . . . . . 182 E CB . 52080 1 222 . 1 . 1 22 22 GLU CG C 13 36.133 0.000 . 1 . . . . . 182 E CG . 52080 1 223 . 1 . 1 22 22 GLU N N 15 122.816 0.032 . 1 . . . . . 182 E N . 52080 1 224 . 1 . 1 23 23 SER H H 1 8.323 0.000 . 1 . . . . . 183 S H . 52080 1 225 . 1 . 1 23 23 SER HA H 1 4.381 0.000 . 1 . . . . . 183 S HA . 52080 1 226 . 1 . 1 23 23 SER HB2 H 1 3.786 0.000 . 2 . . . . . 183 S QB . 52080 1 227 . 1 . 1 23 23 SER HB3 H 1 3.786 0.000 . 2 . . . . . 183 S QB . 52080 1 228 . 1 . 1 23 23 SER C C 13 174.471 0.002 . 1 . . . . . 183 S C . 52080 1 229 . 1 . 1 23 23 SER CA C 13 58.430 0.000 . 1 . . . . . 183 S CA . 52080 1 230 . 1 . 1 23 23 SER CB C 13 64.319 0.000 . 1 . . . . . 183 S CB . 52080 1 231 . 1 . 1 23 23 SER N N 15 116.153 0.040 . 1 . . . . . 183 S N . 52080 1 232 . 1 . 1 24 24 ASP H H 1 8.323 0.000 . 1 . . . . . 184 D H . 52080 1 233 . 1 . 1 24 24 ASP HA H 1 4.565 0.000 . 1 . . . . . 184 D HA . 52080 1 234 . 1 . 1 24 24 ASP HB2 H 1 2.639 0.000 . 2 . . . . . 184 D QB . 52080 1 235 . 1 . 1 24 24 ASP HB3 H 1 2.639 0.000 . 2 . . . . . 184 D QB . 52080 1 236 . 1 . 1 24 24 ASP C C 13 176.853 0.002 . 1 . . . . . 184 D C . 52080 1 237 . 1 . 1 24 24 ASP CA C 13 54.407 0.000 . 1 . . . . . 184 D CA . 52080 1 238 . 1 . 1 24 24 ASP CB C 13 41.236 0.000 . 1 . . . . . 184 D CB . 52080 1 239 . 1 . 1 24 24 ASP N N 15 122.581 0.037 . 1 . . . . . 184 D N . 52080 1 240 . 1 . 1 25 25 GLY H H 1 8.379 0.000 . 1 . . . . . 185 G H . 52080 1 241 . 1 . 1 25 25 GLY HA2 H 1 3.899 0.000 . 2 . . . . . 185 G QA . 52080 1 242 . 1 . 1 25 25 GLY HA3 H 1 3.899 0.000 . 2 . . . . . 185 G QA . 52080 1 243 . 1 . 1 25 25 GLY C C 13 175.027 0.002 . 1 . . . . . 185 G C . 52080 1 244 . 1 . 1 25 25 GLY CA C 13 45.591 0.000 . 1 . . . . . 185 G CA . 52080 1 245 . 1 . 1 25 25 GLY N N 15 109.400 0.037 . 1 . . . . . 185 G N . 52080 1 246 . 1 . 1 26 26 GLY H H 1 8.324 0.000 . 1 . . . . . 186 G H . 52080 1 247 . 1 . 1 26 26 GLY HA2 H 1 3.889 0.000 . 2 . . . . . 186 G QA . 52080 1 248 . 1 . 1 26 26 GLY HA3 H 1 3.889 0.000 . 2 . . . . . 186 G QA . 52080 1 249 . 1 . 1 26 26 GLY C C 13 174.068 0.002 . 1 . . . . . 186 G C . 52080 1 250 . 1 . 1 26 26 GLY CA C 13 45.370 0.000 . 1 . . . . . 186 G CA . 52080 1 251 . 1 . 1 26 26 GLY N N 15 108.988 0.028 . 1 . . . . . 186 G N . 52080 1 252 . 1 . 1 27 27 ASP H H 1 8.331 0.000 . 1 . . . . . 187 D H . 52080 1 253 . 1 . 1 27 27 ASP HA H 1 4.607 0.000 . 1 . . . . . 187 D HA . 52080 1 254 . 1 . 1 27 27 ASP HB2 H 1 2.627 0.000 . 2 . . . . . 187 D QB . 52080 1 255 . 1 . 1 27 27 ASP HB3 H 1 2.627 0.000 . 2 . . . . . 187 D QB . 52080 1 256 . 1 . 1 27 27 ASP C C 13 176.796 0.003 . 1 . . . . . 187 D C . 52080 1 257 . 1 . 1 27 27 ASP CA C 13 54.228 0.000 . 1 . . . . . 187 D CA . 52080 1 258 . 1 . 1 27 27 ASP CB C 13 41.309 0.000 . 1 . . . . . 187 D CB . 52080 1 259 . 1 . 1 27 27 ASP N N 15 120.579 0.032 . 1 . . . . . 187 D N . 52080 1 260 . 1 . 1 28 28 SER H H 1 8.439 0.000 . 1 . . . . . 188 S H . 52080 1 261 . 1 . 1 28 28 SER HA H 1 4.405 0.000 . 1 . . . . . 188 S HA . 52080 1 262 . 1 . 1 28 28 SER HB2 H 1 3.856 0.000 . 2 . . . . . 188 S QB . 52080 1 263 . 1 . 1 28 28 SER HB3 H 1 3.856 0.000 . 2 . . . . . 188 S QB . 52080 1 264 . 1 . 1 28 28 SER C C 13 175.099 0.002 . 1 . . . . . 188 S C . 52080 1 265 . 1 . 1 28 28 SER CA C 13 58.836 0.000 . 1 . . . . . 188 S CA . 52080 1 266 . 1 . 1 28 28 SER CB C 13 64.148 0.000 . 1 . . . . . 188 S CB . 52080 1 267 . 1 . 1 28 28 SER N N 15 116.984 0.032 . 1 . . . . . 188 S N . 52080 1 268 . 1 . 1 29 29 SER H H 1 8.420 0.000 . 1 . . . . . 189 S H . 52080 1 269 . 1 . 1 29 29 SER HA H 1 4.373 0.000 . 1 . . . . . 189 S HA . 52080 1 270 . 1 . 1 29 29 SER HB2 H 1 3.849 0.000 . 2 . . . . . 189 S QB . 52080 1 271 . 1 . 1 29 29 SER HB3 H 1 3.849 0.000 . 2 . . . . . 189 S QB . 52080 1 272 . 1 . 1 29 29 SER C C 13 175.001 0.004 . 1 . . . . . 189 S C . 52080 1 273 . 1 . 1 29 29 SER CA C 13 59.067 0.000 . 1 . . . . . 189 S CA . 52080 1 274 . 1 . 1 29 29 SER CB C 13 64.117 0.000 . 1 . . . . . 189 S CB . 52080 1 275 . 1 . 1 29 29 SER N N 15 117.812 0.036 . 1 . . . . . 189 S N . 52080 1 276 . 1 . 1 30 30 SER H H 1 8.287 0.000 . 1 . . . . . 190 S H . 52080 1 277 . 1 . 1 30 30 SER HA H 1 4.444 0.000 . 1 . . . . . 190 S HA . 52080 1 278 . 1 . 1 30 30 SER HB2 H 1 3.841 0.000 . 2 . . . . . 190 S QB . 52080 1 279 . 1 . 1 30 30 SER HB3 H 1 3.841 0.000 . 2 . . . . . 190 S QB . 52080 1 280 . 1 . 1 30 30 SER C C 13 174.962 0.002 . 1 . . . . . 190 S C . 52080 1 281 . 1 . 1 30 30 SER CA C 13 58.815 0.000 . 1 . . . . . 190 S CA . 52080 1 282 . 1 . 1 30 30 SER CB C 13 64.243 0.000 . 1 . . . . . 190 S CB . 52080 1 283 . 1 . 1 30 30 SER N N 15 117.600 0.029 . 1 . . . . . 190 S N . 52080 1 284 . 1 . 1 31 31 THR H H 1 8.124 0.000 . 1 . . . . . 191 T H . 52080 1 285 . 1 . 1 31 31 THR HA H 1 4.175 0.000 . 1 . . . . . 191 T HA . 52080 1 286 . 1 . 1 31 31 THR C C 13 174.660 0.002 . 1 . . . . . 191 T C . 52080 1 287 . 1 . 1 31 31 THR CA C 13 62.307 0.000 . 1 . . . . . 191 T CA . 52080 1 288 . 1 . 1 31 31 THR CB C 13 69.734 0.000 . 1 . . . . . 191 T CB . 52080 1 289 . 1 . 1 31 31 THR CG2 C 13 21.521 0.000 . 1 . . . . . 191 T CG2 . 52080 1 290 . 1 . 1 31 31 THR N N 15 115.902 0.025 . 1 . . . . . 191 T N . 52080 1 291 . 1 . 1 32 32 LYS H H 1 8.273 0.000 . 1 . . . . . 192 K H . 52080 1 292 . 1 . 1 32 32 LYS HA H 1 4.300 0.000 . 1 . . . . . 192 K HA . 52080 1 293 . 1 . 1 32 32 LYS HB2 H 1 1.743 0.000 . 2 . . . . . 192 K QB . 52080 1 294 . 1 . 1 32 32 LYS HB3 H 1 1.743 0.000 . 2 . . . . . 192 K QB . 52080 1 295 . 1 . 1 32 32 LYS HG2 H 1 1.354 0.000 . 4 . . . . . 192 K QG . 52080 1 296 . 1 . 1 32 32 LYS HG3 H 1 1.354 0.000 . 2 . . . . . 192 K QG . 52080 1 297 . 1 . 1 32 32 LYS HD2 H 1 1.634 0.000 . 4 . . . . . 192 K QD . 52080 1 298 . 1 . 1 32 32 LYS HD3 H 1 1.634 0.000 . 2 . . . . . 192 K QD . 52080 1 299 . 1 . 1 32 32 LYS HE2 H 1 2.902 0.000 . 2 . . . . . 192 K QE . 52080 1 300 . 1 . 1 32 32 LYS HE3 H 1 2.902 0.000 . 2 . . . . . 192 K QE . 52080 1 301 . 1 . 1 32 32 LYS C C 13 176.585 0.002 . 1 . . . . . 192 K C . 52080 1 302 . 1 . 1 32 32 LYS CA C 13 56.490 0.000 . 1 . . . . . 192 K CA . 52080 1 303 . 1 . 1 32 32 LYS CB C 13 32.935 0.000 . 1 . . . . . 192 K CB . 52080 1 304 . 1 . 1 32 32 LYS CG C 13 24.593 0.000 . 1 . . . . . 192 K CG . 52080 1 305 . 1 . 1 32 32 LYS CD C 13 29.159 0.000 . 1 . . . . . 192 K CD . 52080 1 306 . 1 . 1 32 32 LYS CE C 13 42.340 0.000 . 1 . . . . . 192 K CE . 52080 1 307 . 1 . 1 32 32 LYS N N 15 123.810 0.043 . 1 . . . . . 192 K N . 52080 1 308 . 1 . 1 33 33 SER H H 1 8.350 0.001 . 1 . . . . . 193 S H . 52080 1 309 . 1 . 1 33 33 SER HA H 1 4.366 0.000 . 1 . . . . . 193 S HA . 52080 1 310 . 1 . 1 33 33 SER HB2 H 1 3.777 0.000 . 2 . . . . . 193 S QB . 52080 1 311 . 1 . 1 33 33 SER HB3 H 1 3.777 0.000 . 2 . . . . . 193 S QB . 52080 1 312 . 1 . 1 33 33 SER C C 13 174.664 0.002 . 1 . . . . . 193 S C . 52080 1 313 . 1 . 1 33 33 SER CA C 13 58.383 0.000 . 1 . . . . . 193 S CA . 52080 1 314 . 1 . 1 33 33 SER CB C 13 64.253 0.000 . 1 . . . . . 193 S CB . 52080 1 315 . 1 . 1 33 33 SER N N 15 117.372 0.043 . 1 . . . . . 193 S N . 52080 1 316 . 1 . 1 34 34 GLU H H 1 8.510 0.000 . 1 . . . . . 194 E H . 52080 1 317 . 1 . 1 34 34 GLU HA H 1 4.246 0.000 . 1 . . . . . 194 E HA . 52080 1 318 . 1 . 1 34 34 GLU HB2 H 1 2.007 0.000 . 2 . . . . . 194 E HB2 . 52080 1 319 . 1 . 1 34 34 GLU HB3 H 1 1.920 0.000 . 2 . . . . . 194 E HB3 . 52080 1 320 . 1 . 1 34 34 GLU HG2 H 1 2.193 0.000 . 2 . . . . . 194 E QG . 52080 1 321 . 1 . 1 34 34 GLU HG3 H 1 2.193 0.000 . 2 . . . . . 194 E QG . 52080 1 322 . 1 . 1 34 34 GLU C C 13 177.033 0.002 . 1 . . . . . 194 E C . 52080 1 323 . 1 . 1 34 34 GLU CA C 13 56.953 0.000 . 1 . . . . . 194 E CA . 52080 1 324 . 1 . 1 34 34 GLU CB C 13 30.053 0.000 . 1 . . . . . 194 E CB . 52080 1 325 . 1 . 1 34 34 GLU CG C 13 36.028 0.000 . 1 . . . . . 194 E CG . 52080 1 326 . 1 . 1 34 34 GLU N N 15 123.178 0.028 . 1 . . . . . 194 E N . 52080 1 327 . 1 . 1 35 35 GLY H H 1 8.409 0.001 . 1 . . . . . 195 G H . 52080 1 328 . 1 . 1 35 35 GLY HA2 H 1 3.873 0.000 . 2 . . . . . 195 G QA . 52080 1 329 . 1 . 1 35 35 GLY HA3 H 1 3.873 0.000 . 2 . . . . . 195 G QA . 52080 1 330 . 1 . 1 35 35 GLY C C 13 174.140 0.001 . 1 . . . . . 195 G C . 52080 1 331 . 1 . 1 35 35 GLY CA C 13 45.349 0.000 . 1 . . . . . 195 G CA . 52080 1 332 . 1 . 1 35 35 GLY N N 15 109.906 0.028 . 1 . . . . . 195 G N . 52080 1 333 . 1 . 1 36 36 ALA H H 1 8.210 0.000 . 1 . . . . . 196 A H . 52080 1 334 . 1 . 1 36 36 ALA HA H 1 4.247 0.000 . 1 . . . . . 196 A HA . 52080 1 335 . 1 . 1 36 36 ALA HB1 H 1 1.306 0.000 . 1 . . . . . 196 A MB . 52080 1 336 . 1 . 1 36 36 ALA HB2 H 1 1.306 0.000 . 1 . . . . . 196 A MB . 52080 1 337 . 1 . 1 36 36 ALA HB3 H 1 1.306 0.000 . 1 . . . . . 196 A MB . 52080 1 338 . 1 . 1 36 36 ALA C C 13 177.809 0.001 . 1 . . . . . 196 A C . 52080 1 339 . 1 . 1 36 36 ALA CA C 13 52.944 0.000 . 1 . . . . . 196 A CA . 52080 1 340 . 1 . 1 36 36 ALA CB C 13 19.080 0.000 . 1 . . . . . 196 A CB . 52080 1 341 . 1 . 1 36 36 ALA N N 15 123.818 0.036 . 1 . . . . . 196 A N . 52080 1 342 . 1 . 1 37 37 ASN H H 1 8.465 0.000 . 1 . . . . . 197 N H . 52080 1 343 . 1 . 1 37 37 ASN HA H 1 4.637 0.000 . 1 . . . . . 197 N HA . 52080 1 344 . 1 . 1 37 37 ASN HB2 H 1 2.748 0.000 . 2 . . . . . 197 N QB . 52080 1 345 . 1 . 1 37 37 ASN HB3 H 1 2.748 0.000 . 2 . . . . . 197 N QB . 52080 1 346 . 1 . 1 37 37 ASN C C 13 175.787 0.001 . 1 . . . . . 197 N C . 52080 1 347 . 1 . 1 37 37 ASN CA C 13 53.397 0.000 . 1 . . . . . 197 N CA . 52080 1 348 . 1 . 1 37 37 ASN CB C 13 38.879 0.000 . 1 . . . . . 197 N CB . 52080 1 349 . 1 . 1 37 37 ASN N N 15 117.736 0.044 . 1 . . . . . 197 N N . 52080 1 350 . 1 . 1 38 38 GLY H H 1 8.313 0.005 . 1 . . . . . 198 G H . 52080 1 351 . 1 . 1 38 38 GLY HA2 H 1 3.915 0.000 . 2 . . . . . 198 G QA . 52080 1 352 . 1 . 1 38 38 GLY HA3 H 1 3.915 0.000 . 2 . . . . . 198 G QA . 52080 1 353 . 1 . 1 38 38 GLY C C 13 174.345 0.001 . 1 . . . . . 198 G C . 52080 1 354 . 1 . 1 38 38 GLY CA C 13 45.554 0.000 . 1 . . . . . 198 G CA . 52080 1 355 . 1 . 1 38 38 GLY N N 15 109.078 0.029 . 1 . . . . . 198 G N . 52080 1 356 . 1 . 1 39 39 THR H H 1 8.064 0.000 . 1 . . . . . 199 T H . 52080 1 357 . 1 . 1 39 39 THR HA H 1 4.120 0.000 . 1 . . . . . 199 T HA . 52080 1 358 . 1 . 1 39 39 THR HB H 1 3.937 0.000 . 1 . . . . . 199 T HB . 52080 1 359 . 1 . 1 39 39 THR HG21 H 1 1.122 0.000 . 1 . . . . . 199 T MG . 52080 1 360 . 1 . 1 39 39 THR HG22 H 1 1.122 0.000 . 1 . . . . . 199 T MG . 52080 1 361 . 1 . 1 39 39 THR HG23 H 1 1.122 0.000 . 1 . . . . . 199 T MG . 52080 1 362 . 1 . 1 39 39 THR C C 13 174.642 0.002 . 1 . . . . . 199 T C . 52080 1 363 . 1 . 1 39 39 THR CA C 13 62.192 0.000 . 1 . . . . . 199 T CA . 52080 1 364 . 1 . 1 39 39 THR CB C 13 70.092 0.000 . 1 . . . . . 199 T CB . 52080 1 365 . 1 . 1 39 39 THR CG2 C 13 21.395 0.000 . 1 . . . . . 199 T CG2 . 52080 1 366 . 1 . 1 39 39 THR N N 15 114.230 0.028 . 1 . . . . . 199 T N . 52080 1 367 . 1 . 1 40 40 VAL H H 1 8.178 0.000 . 1 . . . . . 200 V H . 52080 1 368 . 1 . 1 40 40 VAL HA H 1 4.054 0.000 . 1 . . . . . 200 V HA . 52080 1 369 . 1 . 1 40 40 VAL HB H 1 1.996 0.000 . 1 . . . . . 200 V HB . 52080 1 370 . 1 . 1 40 40 VAL HG11 H 1 0.858 0.000 . 2 . . . . . 200 V QG . 52080 1 371 . 1 . 1 40 40 VAL HG12 H 1 0.858 0.000 . 2 . . . . . 200 V QG . 52080 1 372 . 1 . 1 40 40 VAL HG13 H 1 0.858 0.000 . 2 . . . . . 200 V QG . 52080 1 373 . 1 . 1 40 40 VAL HG21 H 1 0.858 0.000 . 2 . . . . . 200 V QG . 52080 1 374 . 1 . 1 40 40 VAL HG22 H 1 0.858 0.000 . 2 . . . . . 200 V QG . 52080 1 375 . 1 . 1 40 40 VAL HG23 H 1 0.858 0.000 . 2 . . . . . 200 V QG . 52080 1 376 . 1 . 1 40 40 VAL C C 13 175.943 0.001 . 1 . . . . . 200 V C . 52080 1 377 . 1 . 1 40 40 VAL CA C 13 62.349 0.000 . 1 . . . . . 200 V CA . 52080 1 378 . 1 . 1 40 40 VAL CB C 13 32.683 0.000 . 1 . . . . . 200 V CB . 52080 1 379 . 1 . 1 40 40 VAL CG2 C 13 20.637 0.000 . 1 . . . . . 200 V CG2 . 52080 1 380 . 1 . 1 40 40 VAL N N 15 122.780 0.038 . 1 . . . . . 200 V N . 52080 1 381 . 1 . 1 41 41 ALA H H 1 8.438 0.000 . 1 . . . . . 201 A H . 52080 1 382 . 1 . 1 41 41 ALA HA H 1 4.295 0.000 . 1 . . . . . 201 A HA . 52080 1 383 . 1 . 1 41 41 ALA HB1 H 1 1.321 0.000 . 1 . . . . . 201 A MB . 52080 1 384 . 1 . 1 41 41 ALA HB2 H 1 1.321 0.000 . 1 . . . . . 201 A MB . 52080 1 385 . 1 . 1 41 41 ALA HB3 H 1 1.321 0.000 . 1 . . . . . 201 A MB . 52080 1 386 . 1 . 1 41 41 ALA C C 13 177.922 0.001 . 1 . . . . . 201 A C . 52080 1 387 . 1 . 1 41 41 ALA CA C 13 52.860 0.000 . 1 . . . . . 201 A CA . 52080 1 388 . 1 . 1 41 41 ALA CB C 13 19.133 0.000 . 1 . . . . . 201 A CB . 52080 1 389 . 1 . 1 41 41 ALA N N 15 128.106 0.031 . 1 . . . . . 201 A N . 52080 1 390 . 1 . 1 42 42 THR H H 1 8.055 0.000 . 1 . . . . . 202 T H . 52080 1 391 . 1 . 1 42 42 THR HA H 1 4.128 0.000 . 1 . . . . . 202 T HA . 52080 1 392 . 1 . 1 42 42 THR HG21 H 1 1.122 0.000 . 1 . . . . . 202 T MG . 52080 1 393 . 1 . 1 42 42 THR HG22 H 1 1.122 0.000 . 1 . . . . . 202 T MG . 52080 1 394 . 1 . 1 42 42 THR HG23 H 1 1.122 0.000 . 1 . . . . . 202 T MG . 52080 1 395 . 1 . 1 42 42 THR C C 13 174.341 0.002 . 1 . . . . . 202 T C . 52080 1 396 . 1 . 1 42 42 THR CA C 13 62.034 0.000 . 1 . . . . . 202 T CA . 52080 1 397 . 1 . 1 42 42 THR CB C 13 69.934 0.000 . 1 . . . . . 202 T CB . 52080 1 398 . 1 . 1 42 42 THR CG2 C 13 21.489 0.000 . 1 . . . . . 202 T CG2 . 52080 1 399 . 1 . 1 42 42 THR N N 15 113.688 0.026 . 1 . . . . . 202 T N . 52080 1 400 . 1 . 1 43 43 ALA H H 1 8.210 0.000 . 1 . . . . . 203 A H . 52080 1 401 . 1 . 1 43 43 ALA HA H 1 4.219 0.000 . 1 . . . . . 203 A HA . 52080 1 402 . 1 . 1 43 43 ALA HB1 H 1 1.288 0.000 . 1 . . . . . 203 A MB . 52080 1 403 . 1 . 1 43 43 ALA HB2 H 1 1.288 0.000 . 1 . . . . . 203 A MB . 52080 1 404 . 1 . 1 43 43 ALA HB3 H 1 1.288 0.000 . 1 . . . . . 203 A MB . 52080 1 405 . 1 . 1 43 43 ALA C C 13 177.291 0.002 . 1 . . . . . 203 A C . 52080 1 406 . 1 . 1 43 43 ALA CA C 13 52.608 0.000 . 1 . . . . . 203 A CA . 52080 1 407 . 1 . 1 43 43 ALA CB C 13 19.175 0.000 . 1 . . . . . 203 A CB . 52080 1 408 . 1 . 1 43 43 ALA N N 15 126.301 0.030 . 1 . . . . . 203 A N . 52080 1 409 . 1 . 1 44 44 ALA H H 1 8.190 0.001 . 1 . . . . . 204 A H . 52080 1 410 . 1 . 1 44 44 ALA HA H 1 4.216 0.000 . 1 . . . . . 204 A HA . 52080 1 411 . 1 . 1 44 44 ALA HB1 H 1 1.281 0.000 . 1 . . . . . 204 A MB . 52080 1 412 . 1 . 1 44 44 ALA HB2 H 1 1.281 0.000 . 1 . . . . . 204 A MB . 52080 1 413 . 1 . 1 44 44 ALA HB3 H 1 1.281 0.000 . 1 . . . . . 204 A MB . 52080 1 414 . 1 . 1 44 44 ALA C C 13 177.597 0.002 . 1 . . . . . 204 A C . 52080 1 415 . 1 . 1 44 44 ALA CA C 13 52.545 0.000 . 1 . . . . . 204 A CA . 52080 1 416 . 1 . 1 44 44 ALA CB C 13 19.091 0.000 . 1 . . . . . 204 A CB . 52080 1 417 . 1 . 1 44 44 ALA N N 15 123.298 0.027 . 1 . . . . . 204 A N . 52080 1 418 . 1 . 1 45 45 ILE H H 1 8.031 0.002 . 1 . . . . . 205 I H . 52080 1 419 . 1 . 1 45 45 ILE HA H 1 4.041 0.000 . 1 . . . . . 205 I HA . 52080 1 420 . 1 . 1 45 45 ILE HB H 1 1.732 0.000 . 1 . . . . . 205 I HB . 52080 1 421 . 1 . 1 45 45 ILE HG12 H 1 1.087 0.000 . 2 . . . . . 205 I HG1# . 52080 1 422 . 1 . 1 45 45 ILE HG13 H 1 1.087 0.000 . 2 . . . . . 205 I HG1# . 52080 1 423 . 1 . 1 45 45 ILE HG21 H 1 1.386 0.000 . 1 . . . . . 205 I MG . 52080 1 424 . 1 . 1 45 45 ILE HG22 H 1 1.386 0.000 . 1 . . . . . 205 I MG . 52080 1 425 . 1 . 1 45 45 ILE HG23 H 1 1.386 0.000 . 1 . . . . . 205 I MG . 52080 1 426 . 1 . 1 45 45 ILE HD11 H 1 0.782 0.000 . 1 . . . . . 205 I MD . 52080 1 427 . 1 . 1 45 45 ILE HD12 H 1 0.782 0.000 . 1 . . . . . 205 I MD . 52080 1 428 . 1 . 1 45 45 ILE HD13 H 1 0.782 0.000 . 1 . . . . . 205 I MD . 52080 1 429 . 1 . 1 45 45 ILE C C 13 176.128 0.002 . 1 . . . . . 205 I C . 52080 1 430 . 1 . 1 45 45 ILE CA C 13 61.045 0.000 . 1 . . . . . 205 I CA . 52080 1 431 . 1 . 1 45 45 ILE CB C 13 38.700 0.000 . 1 . . . . . 205 I CB . 52080 1 432 . 1 . 1 45 45 ILE CG1 C 13 27.202 0.000 . 1 . . . . . 205 I CG1 . 52080 1 433 . 1 . 1 45 45 ILE CG2 C 13 17.334 0.000 . 1 . . . . . 205 I CG2 . 52080 1 434 . 1 . 1 45 45 ILE CD1 C 13 13.168 0.000 . 1 . . . . . 205 I CD1 . 52080 1 435 . 1 . 1 45 45 ILE N N 15 120.183 0.028 . 1 . . . . . 205 I N . 52080 1 436 . 1 . 1 46 46 GLN H H 1 8.424 0.000 . 1 . . . . . 206 Q H . 52080 1 437 . 1 . 1 46 46 GLN HA H 1 4.537 0.000 . 1 . . . . . 206 Q HA . 52080 1 438 . 1 . 1 46 46 GLN HB2 H 1 2.032 0.000 . 2 . . . . . 206 Q HB2 . 52080 1 439 . 1 . 1 46 46 GLN HB3 H 1 1.847 0.000 . 2 . . . . . 206 Q HB3 . 52080 1 440 . 1 . 1 46 46 GLN HG2 H 1 2.307 0.000 . 2 . . . . . 206 Q QG . 52080 1 441 . 1 . 1 46 46 GLN HG3 H 1 2.307 0.000 . 2 . . . . . 206 Q QG . 52080 1 442 . 1 . 1 46 46 GLN C C 13 173.855 0.002 . 1 . . . . . 206 Q C . 52080 1 443 . 1 . 1 46 46 GLN CA C 13 53.544 0.000 . 1 . . . . . 206 Q CA . 52080 1 444 . 1 . 1 46 46 GLN CB C 13 28.906 0.000 . 1 . . . . . 206 Q CB . 52080 1 445 . 1 . 1 46 46 GLN CG C 13 33.377 0.000 . 1 . . . . . 206 Q CG . 52080 1 446 . 1 . 1 46 46 GLN N N 15 125.898 0.030 . 1 . . . . . 206 Q N . 52080 1 447 . 1 . 1 47 47 PRO HA H 1 4.329 0.000 . 1 . . . . . 207 P HA . 52080 1 448 . 1 . 1 47 47 PRO HB2 H 1 2.199 0.000 . 2 . . . . . 207 P QB . 52080 1 449 . 1 . 1 47 47 PRO HB3 H 1 2.199 0.000 . 2 . . . . . 207 P QB . 52080 1 450 . 1 . 1 47 47 PRO HG2 H 1 1.903 0.000 . 2 . . . . . 207 P HG2 . 52080 1 451 . 1 . 1 47 47 PRO HG3 H 1 1.810 0.000 . 2 . . . . . 207 P HG3 . 52080 1 452 . 1 . 1 47 47 PRO HD2 H 1 3.674 0.000 . 2 . . . . . 207 P QD . 52080 1 453 . 1 . 1 47 47 PRO HD3 H 1 3.674 0.000 . 2 . . . . . 207 P QD . 52080 1 454 . 1 . 1 47 47 PRO C C 13 176.750 0.002 . 1 . . . . . 207 P C . 52080 1 455 . 1 . 1 47 47 PRO CA C 13 63.075 0.000 . 1 . . . . . 207 P CA . 52080 1 456 . 1 . 1 47 47 PRO CB C 13 32.146 0.000 . 1 . . . . . 207 P CB . 52080 1 457 . 1 . 1 47 47 PRO CG C 13 27.233 0.000 . 1 . . . . . 207 P CG . 52080 1 458 . 1 . 1 47 47 PRO CD C 13 50.872 0.000 . 1 . . . . . 207 P CD . 52080 1 459 . 1 . 1 47 47 PRO N N 15 137.002 0.040 . 1 . . . . . 207 P N . 52080 1 460 . 1 . 1 48 48 LYS H H 1 8.380 0.002 . 1 . . . . . 208 K H . 52080 1 461 . 1 . 1 48 48 LYS HA H 1 4.173 0.000 . 1 . . . . . 208 K HA . 52080 1 462 . 1 . 1 48 48 LYS HB2 H 1 1.682 0.000 . 2 . . . . . 208 K QB . 52080 1 463 . 1 . 1 48 48 LYS HB3 H 1 1.682 0.000 . 2 . . . . . 208 K QB . 52080 1 464 . 1 . 1 48 48 LYS HG2 H 1 1.336 0.000 . 4 . . . . . 208 K QG . 52080 1 465 . 1 . 1 48 48 LYS HG3 H 1 1.336 0.000 . 2 . . . . . 208 K QG . 52080 1 466 . 1 . 1 48 48 LYS HD2 H 1 1.598 0.000 . 4 . . . . . 208 K QD . 52080 1 467 . 1 . 1 48 48 LYS HD3 H 1 1.598 0.000 . 2 . . . . . 208 K QD . 52080 1 468 . 1 . 1 48 48 LYS HE2 H 1 2.884 0.000 . 2 . . . . . 208 K QE . 52080 1 469 . 1 . 1 48 48 LYS HE3 H 1 2.884 0.000 . 2 . . . . . 208 K QE . 52080 1 470 . 1 . 1 48 48 LYS C C 13 176.562 0.002 . 1 . . . . . 208 K C . 52080 1 471 . 1 . 1 48 48 LYS CA C 13 56.342 0.000 . 1 . . . . . 208 K CA . 52080 1 472 . 1 . 1 48 48 LYS CB C 13 33.062 0.000 . 1 . . . . . 208 K CB . 52080 1 473 . 1 . 1 48 48 LYS CG C 13 24.751 0.000 . 1 . . . . . 208 K CG . 52080 1 474 . 1 . 1 48 48 LYS N N 15 121.695 0.031 . 1 . . . . . 208 K N . 52080 1 475 . 1 . 1 49 49 LYS H H 1 8.349 0.000 . 1 . . . . . 209 K H . 52080 1 476 . 1 . 1 49 49 LYS HA H 1 4.240 0.000 . 1 . . . . . 209 K HA . 52080 1 477 . 1 . 1 49 49 LYS HB2 H 1 1.674 0.000 . 2 . . . . . 209 K QB . 52080 1 478 . 1 . 1 49 49 LYS HB3 H 1 1.674 0.000 . 2 . . . . . 209 K QB . 52080 1 479 . 1 . 1 49 49 LYS HG2 H 1 1.307 0.000 . 4 . . . . . 209 K QG . 52080 1 480 . 1 . 1 49 49 LYS HG3 H 1 1.307 0.000 . 2 . . . . . 209 K QG . 52080 1 481 . 1 . 1 49 49 LYS HD2 H 1 1.596 0.000 . 4 . . . . . 209 K QD . 52080 1 482 . 1 . 1 49 49 LYS HD3 H 1 1.596 0.000 . 2 . . . . . 209 K QD . 52080 1 483 . 1 . 1 49 49 LYS HE2 H 1 2.882 0.000 . 2 . . . . . 209 K QE . 52080 1 484 . 1 . 1 49 49 LYS HE3 H 1 2.882 0.000 . 2 . . . . . 209 K QE . 52080 1 485 . 1 . 1 49 49 LYS C C 13 176.350 0.002 . 1 . . . . . 209 K C . 52080 1 486 . 1 . 1 49 49 LYS CB C 13 33.125 0.000 . 1 . . . . . 209 K CB . 52080 1 487 . 1 . 1 49 49 LYS CG C 13 24.719 0.000 . 1 . . . . . 209 K CG . 52080 1 488 . 1 . 1 49 49 LYS CD C 13 28.664 0.000 . 1 . . . . . 209 K CD . 52080 1 489 . 1 . 1 49 49 LYS N N 15 123.217 0.028 . 1 . . . . . 209 K N . 52080 1 490 . 1 . 1 50 50 VAL H H 1 8.193 0.000 . 1 . . . . . 210 V H . 52080 1 491 . 1 . 1 50 50 VAL HA H 1 4.024 0.000 . 1 . . . . . 210 V HA . 52080 1 492 . 1 . 1 50 50 VAL HB H 1 1.943 0.000 . 1 . . . . . 210 V HB . 52080 1 493 . 1 . 1 50 50 VAL HG11 H 1 0.817 0.000 . 2 . . . . . 210 V MG1 . 52080 1 494 . 1 . 1 50 50 VAL HG12 H 1 0.817 0.000 . 2 . . . . . 210 V MG1 . 52080 1 495 . 1 . 1 50 50 VAL HG13 H 1 0.817 0.000 . 2 . . . . . 210 V MG1 . 52080 1 496 . 1 . 1 50 50 VAL HG21 H 1 0.817 0.000 . 2 . . . . . 210 V MG2 . 52080 1 497 . 1 . 1 50 50 VAL HG22 H 1 0.817 0.000 . 2 . . . . . 210 V MG2 . 52080 1 498 . 1 . 1 50 50 VAL HG23 H 1 0.817 0.000 . 2 . . . . . 210 V MG2 . 52080 1 499 . 1 . 1 50 50 VAL C C 13 175.914 0.002 . 1 . . . . . 210 V C . 52080 1 500 . 1 . 1 50 50 VAL CA C 13 62.118 0.000 . 1 . . . . . 210 V CA . 52080 1 501 . 1 . 1 50 50 VAL CB C 13 32.862 0.000 . 1 . . . . . 210 V CB . 52080 1 502 . 1 . 1 50 50 VAL CG2 C 13 20.700 0.000 . 1 . . . . . 210 V CG2 . 52080 1 503 . 1 . 1 50 50 VAL N N 15 122.154 0.034 . 1 . . . . . 210 V N . 52080 1 504 . 1 . 1 51 51 LYS H H 1 8.418 0.000 . 1 . . . . . 211 K H . 52080 1 505 . 1 . 1 51 51 LYS HA H 1 4.193 0.000 . 1 . . . . . 211 K HA . 52080 1 506 . 1 . 1 51 51 LYS HB2 H 1 1.713 0.000 . 2 . . . . . 211 K QB . 52080 1 507 . 1 . 1 51 51 LYS HB3 H 1 1.713 0.000 . 2 . . . . . 211 K QB . 52080 1 508 . 1 . 1 51 51 LYS HG2 H 1 1.308 0.000 . 4 . . . . . 211 K QG . 52080 1 509 . 1 . 1 51 51 LYS HG3 H 1 1.308 0.000 . 2 . . . . . 211 K QG . 52080 1 510 . 1 . 1 51 51 LYS HD2 H 1 1.632 0.000 . 4 . . . . . 211 K QD . 52080 1 511 . 1 . 1 51 51 LYS HD3 H 1 1.632 0.000 . 2 . . . . . 211 K QD . 52080 1 512 . 1 . 1 51 51 LYS HE2 H 1 2.877 0.000 . 2 . . . . . 211 K QE . 52080 1 513 . 1 . 1 51 51 LYS HE3 H 1 2.877 0.000 . 2 . . . . . 211 K QE . 52080 1 514 . 1 . 1 51 51 LYS C C 13 176.799 0.002 . 1 . . . . . 211 K C . 52080 1 515 . 1 . 1 51 51 LYS CA C 13 56.679 0.000 . 1 . . . . . 211 K CA . 52080 1 516 . 1 . 1 51 51 LYS CB C 13 33.051 0.000 . 1 . . . . . 211 K CB . 52080 1 517 . 1 . 1 51 51 LYS CG C 13 24.677 0.000 . 1 . . . . . 211 K CG . 52080 1 518 . 1 . 1 51 51 LYS CD C 13 28.980 0.000 . 1 . . . . . 211 K CD . 52080 1 519 . 1 . 1 51 51 LYS CE C 13 41.362 0.000 . 1 . . . . . 211 K CE . 52080 1 520 . 1 . 1 51 51 LYS N N 15 125.533 0.039 . 1 . . . . . 211 K N . 52080 1 521 . 1 . 1 52 52 GLY H H 1 8.397 0.001 . 1 . . . . . 212 G H . 52080 1 522 . 1 . 1 52 52 GLY HA2 H 1 3.882 0.000 . 2 . . . . . 212 G QA . 52080 1 523 . 1 . 1 52 52 GLY HA3 H 1 3.882 0.000 . 2 . . . . . 212 G QA . 52080 1 524 . 1 . 1 52 52 GLY C C 13 173.922 0.001 . 1 . . . . . 212 G C . 52080 1 525 . 1 . 1 52 52 GLY CA C 13 45.149 0.000 . 1 . . . . . 212 G CA . 52080 1 526 . 1 . 1 52 52 GLY N N 15 110.568 0.032 . 1 . . . . . 212 G N . 52080 1 527 . 1 . 1 53 53 VAL H H 1 8.057 0.000 . 1 . . . . . 213 V H . 52080 1 528 . 1 . 1 53 53 VAL HA H 1 4.059 0.000 . 1 . . . . . 213 V HA . 52080 1 529 . 1 . 1 53 53 VAL HB H 1 1.981 0.000 . 1 . . . . . 213 V HB . 52080 1 530 . 1 . 1 53 53 VAL HG11 H 1 0.820 0.000 . 2 . . . . . 213 V MG1 . 52080 1 531 . 1 . 1 53 53 VAL HG12 H 1 0.820 0.000 . 2 . . . . . 213 V MG1 . 52080 1 532 . 1 . 1 53 53 VAL HG13 H 1 0.820 0.000 . 2 . . . . . 213 V MG1 . 52080 1 533 . 1 . 1 53 53 VAL HG21 H 1 0.820 0.000 . 2 . . . . . 213 V MG2 . 52080 1 534 . 1 . 1 53 53 VAL HG22 H 1 0.820 0.000 . 2 . . . . . 213 V MG2 . 52080 1 535 . 1 . 1 53 53 VAL HG23 H 1 0.820 0.000 . 2 . . . . . 213 V MG2 . 52080 1 536 . 1 . 1 53 53 VAL C C 13 176.648 0.002 . 1 . . . . . 213 V C . 52080 1 537 . 1 . 1 53 53 VAL CA C 13 62.328 0.000 . 1 . . . . . 213 V CA . 52080 1 538 . 1 . 1 53 53 VAL CB C 13 32.651 0.000 . 1 . . . . . 213 V CB . 52080 1 539 . 1 . 1 53 53 VAL CG2 C 13 20.595 0.000 . 1 . . . . . 213 V CG2 . 52080 1 540 . 1 . 1 53 53 VAL N N 15 119.020 0.032 . 1 . . . . . 213 V N . 52080 1 541 . 1 . 1 54 54 GLY H H 1 8.489 0.003 . 1 . . . . . 214 G H . 52080 1 542 . 1 . 1 54 54 GLY HA2 H 1 3.795 0.000 . 2 . . . . . 214 G QA . 52080 1 543 . 1 . 1 54 54 GLY HA3 H 1 3.795 0.000 . 2 . . . . . 214 G QA . 52080 1 544 . 1 . 1 54 54 GLY C C 13 173.938 0.001 . 1 . . . . . 214 G C . 52080 1 545 . 1 . 1 54 54 GLY CA C 13 45.096 0.000 . 1 . . . . . 214 G CA . 52080 1 546 . 1 . 1 54 54 GLY N N 15 112.369 0.037 . 1 . . . . . 214 G N . 52080 1 547 . 1 . 1 55 55 PHE H H 1 8.183 0.002 . 1 . . . . . 215 F H . 52080 1 548 . 1 . 1 55 55 PHE HA H 1 4.508 0.000 . 1 . . . . . 215 F HA . 52080 1 549 . 1 . 1 55 55 PHE HB2 H 1 3.083 0.000 . 2 . . . . . 215 F HB2 . 52080 1 550 . 1 . 1 55 55 PHE HB3 H 1 2.910 0.000 . 2 . . . . . 215 F HB3 . 52080 1 551 . 1 . 1 55 55 PHE C C 13 176.364 0.002 . 1 . . . . . 215 F C . 52080 1 552 . 1 . 1 55 55 PHE CA C 13 58.236 0.000 . 1 . . . . . 215 F CA . 52080 1 553 . 1 . 1 55 55 PHE CB C 13 39.605 0.000 . 1 . . . . . 215 F CB . 52080 1 554 . 1 . 1 55 55 PHE N N 15 120.127 0.032 . 1 . . . . . 215 F N . 52080 1 555 . 1 . 1 56 56 GLY H H 1 8.427 0.001 . 1 . . . . . 216 G H . 52080 1 556 . 1 . 1 56 56 GLY HA2 H 1 3.814 0.000 . 2 . . . . . 216 G QA . 52080 1 557 . 1 . 1 56 56 GLY HA3 H 1 3.814 0.000 . 2 . . . . . 216 G QA . 52080 1 558 . 1 . 1 56 56 GLY C C 13 173.886 0.004 . 1 . . . . . 216 G C . 52080 1 559 . 1 . 1 56 56 GLY CA C 13 45.381 0.000 . 1 . . . . . 216 G CA . 52080 1 560 . 1 . 1 56 56 GLY N N 15 110.135 0.026 . 1 . . . . . 216 G N . 52080 1 561 . 1 . 1 57 57 ASP H H 1 8.174 0.000 . 1 . . . . . 217 D H . 52080 1 562 . 1 . 1 57 57 ASP HA H 1 4.511 0.000 . 1 . . . . . 217 D HA . 52080 1 563 . 1 . 1 57 57 ASP HB2 H 1 2.523 0.000 . 2 . . . . . 217 D QB . 52080 1 564 . 1 . 1 57 57 ASP HB3 H 1 2.523 0.000 . 2 . . . . . 217 D QB . 52080 1 565 . 1 . 1 57 57 ASP C C 13 176.514 0.008 . 1 . . . . . 217 D C . 52080 1 566 . 1 . 1 57 57 ASP CA C 13 54.459 0.000 . 1 . . . . . 217 D CA . 52080 1 567 . 1 . 1 57 57 ASP CB C 13 41.288 0.000 . 1 . . . . . 217 D CB . 52080 1 568 . 1 . 1 57 57 ASP N N 15 120.708 0.027 . 1 . . . . . 217 D N . 52080 1 569 . 1 . 1 58 58 ILE H H 1 7.914 0.000 . 1 . . . . . 218 I H . 52080 1 570 . 1 . 1 58 58 ILE HA H 1 3.983 0.000 . 1 . . . . . 218 I HA . 52080 1 571 . 1 . 1 58 58 ILE HB H 1 1.665 0.000 . 1 . . . . . 218 I HB . 52080 1 572 . 1 . 1 58 58 ILE HG12 H 1 0.949 0.000 . 2 . . . . . 218 I HG1# . 52080 1 573 . 1 . 1 58 58 ILE HG13 H 1 0.949 0.000 . 2 . . . . . 218 I HG1# . 52080 1 574 . 1 . 1 58 58 ILE HG21 H 1 1.036 0.000 . 1 . . . . . 218 I MG . 52080 1 575 . 1 . 1 58 58 ILE HG22 H 1 1.036 0.000 . 1 . . . . . 218 I MG . 52080 1 576 . 1 . 1 58 58 ILE HG23 H 1 1.036 0.000 . 1 . . . . . 218 I MG . 52080 1 577 . 1 . 1 58 58 ILE HD11 H 1 0.633 0.000 . 1 . . . . . 218 I MD . 52080 1 578 . 1 . 1 58 58 ILE HD12 H 1 0.633 0.000 . 1 . . . . . 218 I MD . 52080 1 579 . 1 . 1 58 58 ILE HD13 H 1 0.633 0.000 . 1 . . . . . 218 I MD . 52080 1 580 . 1 . 1 58 58 ILE C C 13 176.102 0.002 . 1 . . . . . 218 I C . 52080 1 581 . 1 . 1 58 58 ILE CA C 13 61.897 0.000 . 1 . . . . . 218 I CA . 52080 1 582 . 1 . 1 58 58 ILE CB C 13 38.574 0.000 . 1 . . . . . 218 I CB . 52080 1 583 . 1 . 1 58 58 ILE CG1 C 13 26.781 0.000 . 1 . . . . . 218 I CG1 . 52080 1 584 . 1 . 1 58 58 ILE CG2 C 13 17.155 0.000 . 1 . . . . . 218 I CG2 . 52080 1 585 . 1 . 1 58 58 ILE CD1 C 13 13.431 0.000 . 1 . . . . . 218 I CD1 . 52080 1 586 . 1 . 1 58 58 ILE N N 15 119.680 0.029 . 1 . . . . . 218 I N . 52080 1 587 . 1 . 1 59 59 PHE H H 1 8.224 0.003 . 1 . . . . . 219 F H . 52080 1 588 . 1 . 1 59 59 PHE HA H 1 4.552 0.000 . 1 . . . . . 219 F HA . 52080 1 589 . 1 . 1 59 59 PHE HB2 H 1 3.094 0.000 . 2 . . . . . 219 F HB2 . 52080 1 590 . 1 . 1 59 59 PHE HB3 H 1 2.887 0.000 . 2 . . . . . 219 F HB3 . 52080 1 591 . 1 . 1 59 59 PHE C C 13 175.760 0.006 . 1 . . . . . 219 F C . 52080 1 592 . 1 . 1 59 59 PHE CA C 13 57.920 0.000 . 1 . . . . . 219 F CA . 52080 1 593 . 1 . 1 59 59 PHE CB C 13 39.121 0.000 . 1 . . . . . 219 F CB . 52080 1 594 . 1 . 1 59 59 PHE N N 15 122.667 0.047 . 1 . . . . . 219 F N . 52080 1 595 . 1 . 1 60 60 LYS H H 1 7.997 0.004 . 1 . . . . . 220 K H . 52080 1 596 . 1 . 1 60 60 LYS HA H 1 4.158 0.000 . 1 . . . . . 220 K HA . 52080 1 597 . 1 . 1 60 60 LYS HB2 H 1 1.691 0.000 . 2 . . . . . 220 K QB . 52080 1 598 . 1 . 1 60 60 LYS HB3 H 1 1.691 0.000 . 2 . . . . . 220 K QB . 52080 1 599 . 1 . 1 60 60 LYS HG2 H 1 1.285 0.000 . 4 . . . . . 220 K QG . 52080 1 600 . 1 . 1 60 60 LYS HG3 H 1 1.285 0.000 . 2 . . . . . 220 K QG . 52080 1 601 . 1 . 1 60 60 LYS HD2 H 1 1.594 0.000 . 4 . . . . . 220 K QD . 52080 1 602 . 1 . 1 60 60 LYS HD3 H 1 1.594 0.000 . 2 . . . . . 220 K QD . 52080 1 603 . 1 . 1 60 60 LYS HE2 H 1 2.874 0.000 . 2 . . . . . 220 K QE . 52080 1 604 . 1 . 1 60 60 LYS HE3 H 1 2.874 0.000 . 2 . . . . . 220 K QE . 52080 1 605 . 1 . 1 60 60 LYS C C 13 175.938 0.003 . 1 . . . . . 220 K C . 52080 1 606 . 1 . 1 60 60 LYS CA C 13 56.647 0.000 . 1 . . . . . 220 K CA . 52080 1 607 . 1 . 1 60 60 LYS CB C 13 33.083 0.000 . 1 . . . . . 220 K CB . 52080 1 608 . 1 . 1 60 60 LYS CG C 13 24.530 0.000 . 1 . . . . . 220 K CG . 52080 1 609 . 1 . 1 60 60 LYS CD C 13 29.180 0.000 . 1 . . . . . 220 K CD . 52080 1 610 . 1 . 1 60 60 LYS N N 15 122.490 0.027 . 1 . . . . . 220 K N . 52080 1 611 . 1 . 1 61 61 ASP H H 1 8.229 0.006 . 1 . . . . . 221 D H . 52080 1 612 . 1 . 1 61 61 ASP HA H 1 4.469 0.000 . 1 . . . . . 221 D HA . 52080 1 613 . 1 . 1 61 61 ASP HB2 H 1 2.542 0.000 . 2 . . . . . 221 D QB . 52080 1 614 . 1 . 1 61 61 ASP HB3 H 1 2.542 0.000 . 2 . . . . . 221 D QB . 52080 1 615 . 1 . 1 61 61 ASP C C 13 175.639 0.003 . 1 . . . . . 221 D C . 52080 1 616 . 1 . 1 61 61 ASP CA C 13 54.354 0.000 . 1 . . . . . 221 D CA . 52080 1 617 . 1 . 1 61 61 ASP CB C 13 41.194 0.000 . 1 . . . . . 221 D CB . 52080 1 618 . 1 . 1 61 61 ASP N N 15 120.561 0.042 . 1 . . . . . 221 D N . 52080 1 619 . 1 . 1 62 62 LYS H H 1 8.073 0.007 . 1 . . . . . 222 K H . 52080 1 620 . 1 . 1 62 62 LYS HA H 1 4.492 0.000 . 1 . . . . . 222 K HA . 52080 1 621 . 1 . 1 62 62 LYS HB2 H 1 1.679 0.000 . 2 . . . . . 222 K QB . 52080 1 622 . 1 . 1 62 62 LYS HB3 H 1 1.679 0.000 . 2 . . . . . 222 K QB . 52080 1 623 . 1 . 1 62 62 LYS HG2 H 1 1.329 0.000 . 4 . . . . . 222 K QG . 52080 1 624 . 1 . 1 62 62 LYS HG3 H 1 1.329 0.000 . 2 . . . . . 222 K QG . 52080 1 625 . 1 . 1 62 62 LYS HD2 H 1 1.593 0.000 . 4 . . . . . 222 K QD . 52080 1 626 . 1 . 1 62 62 LYS HD3 H 1 1.593 0.000 . 2 . . . . . 222 K QD . 52080 1 627 . 1 . 1 62 62 LYS HE2 H 1 2.858 0.000 . 2 . . . . . 222 K QE . 52080 1 628 . 1 . 1 62 62 LYS HE3 H 1 2.858 0.000 . 2 . . . . . 222 K QE . 52080 1 629 . 1 . 1 62 62 LYS C C 13 174.250 0.004 . 1 . . . . . 222 K C . 52080 1 630 . 1 . 1 62 62 LYS CA C 13 54.165 0.000 . 1 . . . . . 222 K CA . 52080 1 631 . 1 . 1 62 62 LYS CB C 13 32.567 0.000 . 1 . . . . . 222 K CB . 52080 1 632 . 1 . 1 62 62 LYS CG C 13 24.414 0.000 . 1 . . . . . 222 K CG . 52080 1 633 . 1 . 1 62 62 LYS CD C 13 29.011 0.000 . 1 . . . . . 222 K CD . 52080 1 634 . 1 . 1 62 62 LYS N N 15 121.951 0.043 . 1 . . . . . 222 K N . 52080 1 635 . 1 . 1 63 63 PRO HA H 1 4.352 0.000 . 1 . . . . . 223 P HA . 52080 1 636 . 1 . 1 63 63 PRO HB2 H 1 2.188 0.000 . 2 . . . . . 223 P QB . 52080 1 637 . 1 . 1 63 63 PRO HB3 H 1 2.188 0.000 . 2 . . . . . 223 P QB . 52080 1 638 . 1 . 1 63 63 PRO HG2 H 1 1.907 0.000 . 2 . . . . . 223 P QG . 52080 1 639 . 1 . 1 63 63 PRO HG3 H 1 1.907 0.000 . 2 . . . . . 223 P QG . 52080 1 640 . 1 . 1 63 63 PRO HD2 H 1 3.483 0.000 . 2 . . . . . 223 P QD . 52080 1 641 . 1 . 1 63 63 PRO HD3 H 1 3.483 0.000 . 2 . . . . . 223 P QD . 52080 1 642 . 1 . 1 63 63 PRO C C 13 176.797 0.005 . 1 . . . . . 223 P C . 52080 1 643 . 1 . 1 63 63 PRO CA C 13 63.086 0.000 . 1 . . . . . 223 P CA . 52080 1 644 . 1 . 1 63 63 PRO CB C 13 31.988 0.000 . 1 . . . . . 223 P CB . 52080 1 645 . 1 . 1 63 63 PRO CG C 13 27.265 0.000 . 1 . . . . . 223 P CG . 52080 1 646 . 1 . 1 63 63 PRO N N 15 136.721 0.038 . 1 . . . . . 223 P N . 52080 1 647 . 1 . 1 64 64 ILE H H 1 8.194 0.001 . 1 . . . . . 224 I H . 52080 1 648 . 1 . 1 64 64 ILE HA H 1 3.998 0.000 . 1 . . . . . 224 I HA . 52080 1 649 . 1 . 1 64 64 ILE HB H 1 1.717 0.000 . 1 . . . . . 224 I HB . 52080 1 650 . 1 . 1 64 64 ILE HG12 H 1 1.421 0.000 . 2 . . . . . 224 I HG12 . 52080 1 651 . 1 . 1 64 64 ILE HG13 H 1 1.082 0.000 . 2 . . . . . 224 I HG13 . 52080 1 652 . 1 . 1 64 64 ILE HG21 H 1 0.794 0.000 . 1 . . . . . 224 I MG . 52080 1 653 . 1 . 1 64 64 ILE HG22 H 1 0.794 0.000 . 1 . . . . . 224 I MG . 52080 1 654 . 1 . 1 64 64 ILE HG23 H 1 0.794 0.000 . 1 . . . . . 224 I MG . 52080 1 655 . 1 . 1 64 64 ILE HD11 H 1 0.794 0.000 . 1 . . . . . 224 I MD . 52080 1 656 . 1 . 1 64 64 ILE HD12 H 1 0.794 0.000 . 1 . . . . . 224 I MD . 52080 1 657 . 1 . 1 64 64 ILE HD13 H 1 0.794 0.000 . 1 . . . . . 224 I MD . 52080 1 658 . 1 . 1 64 64 ILE C C 13 176.142 0.008 . 1 . . . . . 224 I C . 52080 1 659 . 1 . 1 64 64 ILE CA C 13 61.081 0.000 . 1 . . . . . 224 I CA . 52080 1 660 . 1 . 1 64 64 ILE CB C 13 38.797 0.000 . 1 . . . . . 224 I CB . 52080 1 661 . 1 . 1 64 64 ILE CG1 C 13 27.253 0.000 . 1 . . . . . 224 I CG1 . 52080 1 662 . 1 . 1 64 64 ILE CG2 C 13 17.339 0.000 . 1 . . . . . 224 I CG2 . 52080 1 663 . 1 . 1 64 64 ILE CD1 C 13 13.232 0.000 . 1 . . . . . 224 I CD1 . 52080 1 664 . 1 . 1 64 64 ILE N N 15 121.348 0.039 . 1 . . . . . 224 I N . 52080 1 665 . 1 . 1 65 65 LYS H H 1 8.348 0.028 . 1 . . . . . 225 K H . 52080 1 666 . 1 . 1 65 65 LYS HA H 1 4.247 0.000 . 1 . . . . . 225 K HA . 52080 1 667 . 1 . 1 65 65 LYS HB2 H 1 1.651 0.000 . 2 . . . . . 225 K QB . 52080 1 668 . 1 . 1 65 65 LYS HB3 H 1 1.651 0.000 . 2 . . . . . 225 K QB . 52080 1 669 . 1 . 1 65 65 LYS HG2 H 1 1.284 0.000 . 4 . . . . . 225 K QG . 52080 1 670 . 1 . 1 65 65 LYS HG3 H 1 1.284 0.000 . 2 . . . . . 225 K QG . 52080 1 671 . 1 . 1 65 65 LYS HD2 H 1 1.559 0.000 . 4 . . . . . 225 K QD . 52080 1 672 . 1 . 1 65 65 LYS HD3 H 1 1.559 0.000 . 2 . . . . . 225 K QD . 52080 1 673 . 1 . 1 65 65 LYS HE2 H 1 2.866 0.000 . 2 . . . . . 225 K QE . 52080 1 674 . 1 . 1 65 65 LYS HE3 H 1 2.866 0.000 . 2 . . . . . 225 K QE . 52080 1 675 . 1 . 1 65 65 LYS C C 13 175.955 0.003 . 1 . . . . . 225 K C . 52080 1 676 . 1 . 1 65 65 LYS CA C 13 56.007 0.000 . 1 . . . . . 225 K CA . 52080 1 677 . 1 . 1 65 65 LYS CB C 13 32.951 0.000 . 1 . . . . . 225 K CB . 52080 1 678 . 1 . 1 65 65 LYS CG C 13 24.633 0.000 . 1 . . . . . 225 K CG . 52080 1 679 . 1 . 1 65 65 LYS N N 15 125.556 0.017 . 1 . . . . . 225 K N . 52080 1 680 . 1 . 1 66 66 LEU HA H 1 4.271 0.000 . 1 . . . . . 226 L HA . 52080 1 681 . 1 . 1 66 66 LEU HB2 H 1 1.502 0.000 . 2 . . . . . 226 L QB . 52080 1 682 . 1 . 1 66 66 LEU HB3 H 1 1.502 0.000 . 2 . . . . . 226 L QB . 52080 1 683 . 1 . 1 66 66 LEU HG H 1 1.512 0.000 . 1 . . . . . 226 L HG . 52080 1 684 . 1 . 1 66 66 LEU HD11 H 1 0.799 0.000 . 2 . . . . . 226 L HD1# . 52080 1 685 . 1 . 1 66 66 LEU HD12 H 1 0.799 0.000 . 2 . . . . . 226 L HD1# . 52080 1 686 . 1 . 1 66 66 LEU HD13 H 1 0.799 0.000 . 2 . . . . . 226 L HD1# . 52080 1 687 . 1 . 1 66 66 LEU HD21 H 1 0.799 0.000 . 2 . . . . . 226 L HD2# . 52080 1 688 . 1 . 1 66 66 LEU HD22 H 1 0.799 0.000 . 2 . . . . . 226 L HD2# . 52080 1 689 . 1 . 1 66 66 LEU HD23 H 1 0.799 0.000 . 2 . . . . . 226 L HD2# . 52080 1 690 . 1 . 1 66 66 LEU C C 13 176.917 0.004 . 1 . . . . . 226 L C . 52080 1 691 . 1 . 1 66 66 LEU CA C 13 54.959 0.000 . 1 . . . . . 226 L CA . 52080 1 692 . 1 . 1 66 66 LEU CB C 13 42.581 0.000 . 1 . . . . . 226 L CB . 52080 1 693 . 1 . 1 66 66 LEU CG C 13 26.820 0.000 . 1 . . . . . 226 L CG . 52080 1 694 . 1 . 1 66 66 LEU CD1 C 13 24.598 0.000 . 2 . . . . . 226 L CD1 . 52080 1 695 . 1 . 1 66 66 LEU CD2 C 13 22.939 0.000 . 2 . . . . . 226 L CD2 . 52080 1 696 . 1 . 1 66 66 LEU N N 15 124.364 0.038 . 1 . . . . . 226 L N . 52080 1 697 . 1 . 1 67 67 ARG HA H 1 4.480 0.000 . 1 . . . . . 227 R HA . 52080 1 698 . 1 . 1 67 67 ARG HB2 H 1 1.686 0.000 . 2 . . . . . 227 R QB . 52080 1 699 . 1 . 1 67 67 ARG HB3 H 1 1.686 0.000 . 2 . . . . . 227 R QB . 52080 1 700 . 1 . 1 67 67 ARG HG2 H 1 1.523 0.000 . 2 . . . . . 227 R QG . 52080 1 701 . 1 . 1 67 67 ARG HG3 H 1 1.523 0.000 . 2 . . . . . 227 R QG . 52080 1 702 . 1 . 1 67 67 ARG HD2 H 1 2.971 0.000 . 2 . . . . . 227 R QD . 52080 1 703 . 1 . 1 67 67 ARG HD3 H 1 2.971 0.000 . 2 . . . . . 227 R QD . 52080 1 704 . 1 . 1 67 67 ARG HE H 1 7.153 0.000 . 1 . . . . . 227 R HE . 52080 1 705 . 1 . 1 67 67 ARG C C 13 174.066 0.002 . 1 . . . . . 227 R C . 52080 1 706 . 1 . 1 67 67 ARG CA C 13 53.986 0.000 . 1 . . . . . 227 R CA . 52080 1 707 . 1 . 1 67 67 ARG CB C 13 30.105 0.000 . 1 . . . . . 227 R CB . 52080 1 708 . 1 . 1 67 67 ARG CG C 13 26.613 0.000 . 1 . . . . . 227 R CG . 52080 1 709 . 1 . 1 67 67 ARG CD C 13 43.413 0.000 . 1 . . . . . 227 R CD . 52080 1 710 . 1 . 1 67 67 ARG N N 15 123.159 0.034 . 1 . . . . . 227 R N . 52080 1 711 . 1 . 1 67 67 ARG NE N 15 84.706 0.000 . 1 . . . . . 227 R NE . 52080 1 712 . 1 . 1 68 68 PRO HA H 1 4.304 0.000 . 1 . . . . . 228 P HA . 52080 1 713 . 1 . 1 68 68 PRO HB2 H 1 2.207 0.000 . 2 . . . . . 228 P QB . 52080 1 714 . 1 . 1 68 68 PRO HB3 H 1 2.207 0.000 . 2 . . . . . 228 P QB . 52080 1 715 . 1 . 1 68 68 PRO HG2 H 1 1.905 0.000 . 2 . . . . . 228 P QG . 52080 1 716 . 1 . 1 68 68 PRO HG3 H 1 1.905 0.000 . 2 . . . . . 228 P QG . 52080 1 717 . 1 . 1 68 68 PRO HD2 H 1 3.962 0.000 . 2 . . . . . 228 P QD . 52080 1 718 . 1 . 1 68 68 PRO HD3 H 1 3.962 0.000 . 2 . . . . . 228 P QD . 52080 1 719 . 1 . 1 68 68 PRO C C 13 176.544 0.012 . 1 . . . . . 228 P C . 52080 1 720 . 1 . 1 68 68 PRO CA C 13 62.928 0.000 . 1 . . . . . 228 P CA . 52080 1 721 . 1 . 1 68 68 PRO CB C 13 32.010 0.000 . 1 . . . . . 228 P CB . 52080 1 722 . 1 . 1 68 68 PRO CG C 13 27.335 0.000 . 1 . . . . . 228 P CG . 52080 1 723 . 1 . 1 68 68 PRO CD C 13 50.554 0.000 . 1 . . . . . 228 P CD . 52080 1 724 . 1 . 1 68 68 PRO N N 15 137.180 0.032 . 1 . . . . . 228 P N . 52080 1 725 . 1 . 1 69 69 ALA H H 1 8.418 0.003 . 1 . . . . . 229 A H . 52080 1 726 . 1 . 1 69 69 ALA HA H 1 4.210 0.000 . 1 . . . . . 229 A HA . 52080 1 727 . 1 . 1 69 69 ALA HB1 H 1 1.316 0.000 . 1 . . . . . 229 A HB . 52080 1 728 . 1 . 1 69 69 ALA HB2 H 1 1.316 0.000 . 1 . . . . . 229 A HB . 52080 1 729 . 1 . 1 69 69 ALA HB3 H 1 1.316 0.000 . 1 . . . . . 229 A HB . 52080 1 730 . 1 . 1 69 69 ALA C C 13 177.821 0.006 . 1 . . . . . 229 A C . 52080 1 731 . 1 . 1 69 69 ALA CA C 13 52.782 0.000 . 1 . . . . . 229 A CA . 52080 1 732 . 1 . 1 69 69 ALA CB C 13 19.131 0.000 . 1 . . . . . 229 A CB . 52080 1 733 . 1 . 1 69 69 ALA N N 15 124.164 0.046 . 1 . . . . . 229 A N . 52080 1 734 . 1 . 1 70 70 SER H H 1 8.230 0.015 . 1 . . . . . 230 S H . 52080 1 735 . 1 . 1 70 70 SER HA H 1 4.360 0.000 . 1 . . . . . 230 S HA . 52080 1 736 . 1 . 1 70 70 SER HB2 H 1 3.755 0.000 . 2 . . . . . 230 S QB . 52080 1 737 . 1 . 1 70 70 SER HB3 H 1 3.755 0.000 . 2 . . . . . 230 S QB . 52080 1 738 . 1 . 1 70 70 SER C C 13 174.430 0.002 . 1 . . . . . 230 S C . 52080 1 739 . 1 . 1 70 70 SER CA C 13 58.185 0.000 . 1 . . . . . 230 S CA . 52080 1 740 . 1 . 1 70 70 SER CB C 13 64.288 0.000 . 1 . . . . . 230 S CB . 52080 1 741 . 1 . 1 70 70 SER N N 15 114.791 0.028 . 1 . . . . . 230 S N . 52080 1 742 . 1 . 1 71 71 ILE H H 1 8.105 0.012 . 1 . . . . . 231 I H . 52080 1 743 . 1 . 1 71 71 ILE HA H 1 4.088 0.000 . 1 . . . . . 231 I HA . 52080 1 744 . 1 . 1 71 71 ILE HB H 1 1.785 0.000 . 1 . . . . . 231 I HB . 52080 1 745 . 1 . 1 71 71 ILE HG12 H 1 1.109 0.000 . 2 . . . . . 231 I HG1# . 52080 1 746 . 1 . 1 71 71 ILE HG13 H 1 1.109 0.000 . 2 . . . . . 231 I HG1# . 52080 1 747 . 1 . 1 71 71 ILE HG21 H 1 1.341 0.000 . 1 . . . . . 231 I MG . 52080 1 748 . 1 . 1 71 71 ILE HG22 H 1 1.341 0.000 . 1 . . . . . 231 I MG . 52080 1 749 . 1 . 1 71 71 ILE HG23 H 1 1.341 0.000 . 1 . . . . . 231 I MG . 52080 1 750 . 1 . 1 71 71 ILE HD11 H 1 0.824 0.000 . 1 . . . . . 231 I MD . 52080 1 751 . 1 . 1 71 71 ILE HD12 H 1 0.824 0.000 . 1 . . . . . 231 I MD . 52080 1 752 . 1 . 1 71 71 ILE HD13 H 1 0.824 0.000 . 1 . . . . . 231 I MD . 52080 1 753 . 1 . 1 71 71 ILE C C 13 176.067 0.003 . 1 . . . . . 231 I C . 52080 1 754 . 1 . 1 71 71 ILE CA C 13 61.195 0.000 . 1 . . . . . 231 I CA . 52080 1 755 . 1 . 1 71 71 ILE CB C 13 38.813 0.000 . 1 . . . . . 231 I CB . 52080 1 756 . 1 . 1 71 71 ILE CG1 C 13 27.080 0.000 . 1 . . . . . 231 I CG1 . 52080 1 757 . 1 . 1 71 71 ILE CG2 C 13 17.421 0.000 . 1 . . . . . 231 I CG2 . 52080 1 758 . 1 . 1 71 71 ILE CD1 C 13 13.392 0.000 . 1 . . . . . 231 I CD1 . 52080 1 759 . 1 . 1 71 71 ILE N N 15 121.751 0.035 . 1 . . . . . 231 I N . 52080 1 760 . 1 . 1 72 72 GLU H H 1 8.418 0.009 . 1 . . . . . 232 E H . 52080 1 761 . 1 . 1 72 72 GLU HA H 1 4.241 0.000 . 1 . . . . . 232 E HA . 52080 1 762 . 1 . 1 72 72 GLU HB2 H 1 1.879 0.000 . 2 . . . . . 232 E QB . 52080 1 763 . 1 . 1 72 72 GLU HB3 H 1 1.879 0.000 . 2 . . . . . 232 E QB . 52080 1 764 . 1 . 1 72 72 GLU HG2 H 1 2.163 0.000 . 2 . . . . . 232 E QG . 52080 1 765 . 1 . 1 72 72 GLU HG3 H 1 2.163 0.000 . 2 . . . . . 232 E QG . 52080 1 766 . 1 . 1 72 72 GLU C C 13 176.310 0.003 . 1 . . . . . 232 E C . 52080 1 767 . 1 . 1 72 72 GLU CA C 13 56.621 0.000 . 1 . . . . . 232 E CA . 52080 1 768 . 1 . 1 72 72 GLU CB C 13 30.054 0.000 . 1 . . . . . 232 E CB . 52080 1 769 . 1 . 1 72 72 GLU CG C 13 36.093 0.000 . 1 . . . . . 232 E CG . 52080 1 770 . 1 . 1 72 72 GLU N N 15 124.613 0.039 . 1 . . . . . 232 E N . 52080 1 771 . 1 . 1 73 73 VAL H H 1 8.131 0.006 . 1 . . . . . 233 V H . 52080 1 772 . 1 . 1 73 73 VAL HA H 1 4.050 0.000 . 1 . . . . . 233 V HA . 52080 1 773 . 1 . 1 73 73 VAL HB H 1 1.990 0.000 . 1 . . . . . 233 V HB . 52080 1 774 . 1 . 1 73 73 VAL HG11 H 1 0.826 0.000 . 2 . . . . . 233 V MG1 . 52080 1 775 . 1 . 1 73 73 VAL HG12 H 1 0.826 0.000 . 2 . . . . . 233 V MG1 . 52080 1 776 . 1 . 1 73 73 VAL HG13 H 1 0.826 0.000 . 2 . . . . . 233 V MG1 . 52080 1 777 . 1 . 1 73 73 VAL HG21 H 1 0.826 0.000 . 2 . . . . . 233 V MG2 . 52080 1 778 . 1 . 1 73 73 VAL HG22 H 1 0.826 0.000 . 2 . . . . . 233 V MG2 . 52080 1 779 . 1 . 1 73 73 VAL HG23 H 1 0.826 0.000 . 2 . . . . . 233 V MG2 . 52080 1 780 . 1 . 1 73 73 VAL C C 13 176.072 0.001 . 1 . . . . . 233 V C . 52080 1 781 . 1 . 1 73 73 VAL CA C 13 62.023 0.000 . 1 . . . . . 233 V CA . 52080 1 782 . 1 . 1 73 73 VAL CB C 13 32.846 0.000 . 1 . . . . . 233 V CB . 52080 1 783 . 1 . 1 73 73 VAL CG1 C 13 20.450 0.000 . 1 . . . . . 233 V CG1 . 52080 1 784 . 1 . 1 73 73 VAL CG2 C 13 20.741 0.000 . 1 . . . . . 233 V CG2 . 52080 1 785 . 1 . 1 73 73 VAL N N 15 120.874 0.040 . 1 . . . . . 233 V N . 52080 1 786 . 1 . 1 74 74 GLU H H 1 8.480 0.006 . 1 . . . . . 234 E H . 52080 1 787 . 1 . 1 74 74 GLU HA H 1 4.177 0.000 . 1 . . . . . 234 E HA . 52080 1 788 . 1 . 1 74 74 GLU HB2 H 1 1.945 0.000 . 2 . . . . . 234 E HB2 . 52080 1 789 . 1 . 1 74 74 GLU HB3 H 1 1.864 0.000 . 2 . . . . . 234 E HB3 . 52080 1 790 . 1 . 1 74 74 GLU HG2 H 1 2.171 0.000 . 2 . . . . . 234 E QG . 52080 1 791 . 1 . 1 74 74 GLU HG3 H 1 2.171 0.000 . 2 . . . . . 234 E QG . 52080 1 792 . 1 . 1 74 74 GLU C C 13 176.206 0.003 . 1 . . . . . 234 E C . 52080 1 793 . 1 . 1 74 74 GLU CA C 13 56.766 0.000 . 1 . . . . . 234 E CA . 52080 1 794 . 1 . 1 74 74 GLU CB C 13 30.018 0.000 . 1 . . . . . 234 E CB . 52080 1 795 . 1 . 1 74 74 GLU CG C 13 36.030 0.000 . 1 . . . . . 234 E CG . 52080 1 796 . 1 . 1 74 74 GLU N N 15 124.346 0.032 . 1 . . . . . 234 E N . 52080 1 797 . 1 . 1 75 75 ASN H H 1 8.410 0.004 . 1 . . . . . 235 N H . 52080 1 798 . 1 . 1 75 75 ASN HA H 1 4.210 0.000 . 1 . . . . . 235 N HA . 52080 1 799 . 1 . 1 75 75 ASN C C 13 174.786 0.005 . 1 . . . . . 235 N C . 52080 1 800 . 1 . 1 75 75 ASN CA C 13 53.374 0.000 . 1 . . . . . 235 N CA . 52080 1 801 . 1 . 1 75 75 ASN CB C 13 39.240 0.000 . 1 . . . . . 235 N CB . 52080 1 802 . 1 . 1 75 75 ASN N N 15 119.783 0.033 . 1 . . . . . 235 N N . 52080 1 803 . 1 . 1 76 76 ASP H H 1 8.282 0.003 . 1 . . . . . 236 D H . 52080 1 804 . 1 . 1 76 76 ASP HA H 1 4.447 0.000 . 1 . . . . . 236 D HA . 52080 1 805 . 1 . 1 76 76 ASP HB2 H 1 2.465 0.000 . 2 . . . . . 236 D QB . 52080 1 806 . 1 . 1 76 76 ASP HB3 H 1 2.465 0.000 . 2 . . . . . 236 D QB . 52080 1 807 . 1 . 1 76 76 ASP C C 13 175.635 0.001 . 1 . . . . . 236 D C . 52080 1 808 . 1 . 1 76 76 ASP CA C 13 54.229 0.000 . 1 . . . . . 236 D CA . 52080 1 809 . 1 . 1 76 76 ASP CB C 13 40.904 0.000 . 1 . . . . . 236 D CB . 52080 1 810 . 1 . 1 76 76 ASP N N 15 120.628 0.040 . 1 . . . . . 236 D N . 52080 1 811 . 1 . 1 77 77 PHE H H 1 8.034 0.000 . 1 . . . . . 237 F H . 52080 1 812 . 1 . 1 77 77 PHE HA H 1 4.503 0.000 . 1 . . . . . 237 F HA . 52080 1 813 . 1 . 1 77 77 PHE HB2 H 1 2.979 0.000 . 2 . . . . . 237 F QB . 52080 1 814 . 1 . 1 77 77 PHE HB3 H 1 2.979 0.000 . 2 . . . . . 237 F QB . 52080 1 815 . 1 . 1 77 77 PHE C C 13 175.229 0.002 . 1 . . . . . 237 F C . 52080 1 816 . 1 . 1 77 77 PHE CA C 13 57.641 0.000 . 1 . . . . . 237 F CA . 52080 1 817 . 1 . 1 77 77 PHE CB C 13 39.369 0.000 . 1 . . . . . 237 F CB . 52080 1 818 . 1 . 1 77 77 PHE N N 15 119.567 0.027 . 1 . . . . . 237 F N . 52080 1 819 . 1 . 1 78 78 LEU H H 1 8.036 0.000 . 1 . . . . . 238 L H . 52080 1 820 . 1 . 1 78 78 LEU HA H 1 4.515 0.000 . 1 . . . . . 238 L HA . 52080 1 821 . 1 . 1 78 78 LEU HB2 H 1 1.468 0.000 . 2 . . . . . 238 L QB . 52080 1 822 . 1 . 1 78 78 LEU HB3 H 1 1.468 0.000 . 2 . . . . . 238 L QB . 52080 1 823 . 1 . 1 78 78 LEU HD11 H 1 0.828 0.000 . 2 . . . . . 238 L MD1 . 52080 1 824 . 1 . 1 78 78 LEU HD12 H 1 0.828 0.000 . 2 . . . . . 238 L MD1 . 52080 1 825 . 1 . 1 78 78 LEU HD13 H 1 0.828 0.000 . 2 . . . . . 238 L MD1 . 52080 1 826 . 1 . 1 78 78 LEU HD21 H 1 0.829 0.000 . 2 . . . . . 238 L MD2 . 52080 1 827 . 1 . 1 78 78 LEU HD22 H 1 0.829 0.000 . 2 . . . . . 238 L MD2 . 52080 1 828 . 1 . 1 78 78 LEU HD23 H 1 0.829 0.000 . 2 . . . . . 238 L MD2 . 52080 1 829 . 1 . 1 78 78 LEU C C 13 174.678 0.008 . 1 . . . . . 238 L C . 52080 1 830 . 1 . 1 78 78 LEU CA C 13 52.827 0.000 . 1 . . . . . 238 L CA . 52080 1 831 . 1 . 1 78 78 LEU CB C 13 42.214 0.000 . 1 . . . . . 238 L CB . 52080 1 832 . 1 . 1 78 78 LEU CG C 13 26.674 0.000 . 1 . . . . . 238 L CG . 52080 1 833 . 1 . 1 78 78 LEU CD1 C 13 24.877 0.000 . 2 . . . . . 238 L CD1 . 52080 1 834 . 1 . 1 78 78 LEU CD2 C 13 23.172 0.000 . 2 . . . . . 238 L CD2 . 52080 1 835 . 1 . 1 78 78 LEU N N 15 125.152 0.040 . 1 . . . . . 238 L N . 52080 1 836 . 1 . 1 79 79 PRO HA H 1 4.347 0.000 . 1 . . . . . 239 P HA . 52080 1 837 . 1 . 1 79 79 PRO HB2 H 1 1.961 0.000 . 2 . . . . . 239 P QB . 52080 1 838 . 1 . 1 79 79 PRO HB3 H 1 1.961 0.000 . 2 . . . . . 239 P QB . 52080 1 839 . 1 . 1 79 79 PRO HG2 H 1 1.887 0.000 . 2 . . . . . 239 P QG . 52080 1 840 . 1 . 1 79 79 PRO HG3 H 1 1.887 0.000 . 2 . . . . . 239 P QG . 52080 1 841 . 1 . 1 79 79 PRO HD2 H 1 3.689 0.000 . 2 . . . . . 239 P QD . 52080 1 842 . 1 . 1 79 79 PRO HD3 H 1 3.689 0.000 . 2 . . . . . 239 P QD . 52080 1 843 . 1 . 1 79 79 PRO C C 13 177.082 0.003 . 1 . . . . . 239 P C . 52080 1 844 . 1 . 1 79 79 PRO CA C 13 63.067 0.000 . 1 . . . . . 239 P CA . 52080 1 845 . 1 . 1 79 79 PRO CB C 13 31.828 0.000 . 1 . . . . . 239 P CB . 52080 1 846 . 1 . 1 79 79 PRO CG C 13 27.380 0.000 . 1 . . . . . 239 P CG . 52080 1 847 . 1 . 1 79 79 PRO CD C 13 50.417 0.000 . 1 . . . . . 239 P CD . 52080 1 848 . 1 . 1 79 79 PRO N N 15 136.112 0.036 . 1 . . . . . 239 P N . 52080 1 849 . 1 . 1 80 80 VAL H H 1 8.204 0.004 . 1 . . . . . 240 V H . 52080 1 850 . 1 . 1 80 80 VAL HA H 1 3.962 0.000 . 1 . . . . . 240 V HA . 52080 1 851 . 1 . 1 80 80 VAL HB H 1 1.917 0.000 . 1 . . . . . 240 V HB . 52080 1 852 . 1 . 1 80 80 VAL HG11 H 1 0.877 0.000 . 2 . . . . . 240 V MG1 . 52080 1 853 . 1 . 1 80 80 VAL HG12 H 1 0.877 0.000 . 2 . . . . . 240 V MG1 . 52080 1 854 . 1 . 1 80 80 VAL HG13 H 1 0.877 0.000 . 2 . . . . . 240 V MG1 . 52080 1 855 . 1 . 1 80 80 VAL HG21 H 1 0.877 0.000 . 2 . . . . . 240 V MG2 . 52080 1 856 . 1 . 1 80 80 VAL HG22 H 1 0.877 0.000 . 2 . . . . . 240 V MG2 . 52080 1 857 . 1 . 1 80 80 VAL HG23 H 1 0.877 0.000 . 2 . . . . . 240 V MG2 . 52080 1 858 . 1 . 1 80 80 VAL C C 13 176.546 0.007 . 1 . . . . . 240 V C . 52080 1 859 . 1 . 1 80 80 VAL CA C 13 62.885 0.000 . 1 . . . . . 240 V CA . 52080 1 860 . 1 . 1 80 80 VAL CB C 13 32.744 0.000 . 1 . . . . . 240 V CB . 52080 1 861 . 1 . 1 80 80 VAL CG2 C 13 20.661 0.000 . 1 . . . . . 240 V CG2 . 52080 1 862 . 1 . 1 80 80 VAL N N 15 120.544 0.035 . 1 . . . . . 240 V N . 52080 1 863 . 1 . 1 81 81 GLU H H 1 8.557 0.000 . 1 . . . . . 241 E H . 52080 1 864 . 1 . 1 81 81 GLU HA H 1 4.181 0.000 . 1 . . . . . 241 E HA . 52080 1 865 . 1 . 1 81 81 GLU HB2 H 1 1.914 0.000 . 2 . . . . . 241 E QB . 52080 1 866 . 1 . 1 81 81 GLU HB3 H 1 1.914 0.000 . 2 . . . . . 241 E QB . 52080 1 867 . 1 . 1 81 81 GLU HG2 H 1 2.183 0.000 . 2 . . . . . 241 E QG . 52080 1 868 . 1 . 1 81 81 GLU HG3 H 1 2.183 0.000 . 2 . . . . . 241 E QG . 52080 1 869 . 1 . 1 81 81 GLU C C 13 176.561 0.002 . 1 . . . . . 241 E C . 52080 1 870 . 1 . 1 81 81 GLU CA C 13 56.944 0.000 . 1 . . . . . 241 E CA . 52080 1 871 . 1 . 1 81 81 GLU CB C 13 29.852 0.000 . 1 . . . . . 241 E CB . 52080 1 872 . 1 . 1 81 81 GLU CG C 13 36.143 0.000 . 1 . . . . . 241 E CG . 52080 1 873 . 1 . 1 81 81 GLU N N 15 124.286 0.041 . 1 . . . . . 241 E N . 52080 1 874 . 1 . 1 82 82 LYS H H 1 8.353 0.000 . 1 . . . . . 242 K H . 52080 1 875 . 1 . 1 82 82 LYS HA H 1 4.275 0.000 . 1 . . . . . 242 K HA . 52080 1 876 . 1 . 1 82 82 LYS HB2 H 1 1.777 0.000 . 2 . . . . . 242 K QB . 52080 1 877 . 1 . 1 82 82 LYS HB3 H 1 1.777 0.000 . 2 . . . . . 242 K QB . 52080 1 878 . 1 . 1 82 82 LYS HG2 H 1 1.353 0.000 . 4 . . . . . 242 K QG . 52080 1 879 . 1 . 1 82 82 LYS HG3 H 1 1.353 0.000 . 2 . . . . . 242 K QG . 52080 1 880 . 1 . 1 82 82 LYS HD2 H 1 1.679 0.000 . 4 . . . . . 242 K QD . 52080 1 881 . 1 . 1 82 82 LYS HD3 H 1 1.679 0.000 . 2 . . . . . 242 K QD . 52080 1 882 . 1 . 1 82 82 LYS HE2 H 1 2.896 0.000 . 2 . . . . . 242 K QE . 52080 1 883 . 1 . 1 82 82 LYS HE3 H 1 2.896 0.000 . 2 . . . . . 242 K QE . 52080 1 884 . 1 . 1 82 82 LYS C C 13 176.663 0.002 . 1 . . . . . 242 K C . 52080 1 885 . 1 . 1 82 82 LYS CA C 13 56.525 0.000 . 1 . . . . . 242 K CA . 52080 1 886 . 1 . 1 82 82 LYS CB C 13 32.989 0.000 . 1 . . . . . 242 K CB . 52080 1 887 . 1 . 1 82 82 LYS CG C 13 24.811 0.000 . 1 . . . . . 242 K CG . 52080 1 888 . 1 . 1 82 82 LYS CD C 13 29.127 0.000 . 1 . . . . . 242 K CD . 52080 1 889 . 1 . 1 82 82 LYS N N 15 122.358 0.040 . 1 . . . . . 242 K N . 52080 1 890 . 1 . 1 83 83 THR H H 1 8.152 0.000 . 1 . . . . . 243 T H . 52080 1 891 . 1 . 1 83 83 THR HA H 1 4.105 0.000 . 1 . . . . . 243 T HA . 52080 1 892 . 1 . 1 83 83 THR HG21 H 1 1.094 0.000 . 1 . . . . . 243 T MG . 52080 1 893 . 1 . 1 83 83 THR HG22 H 1 1.094 0.000 . 1 . . . . . 243 T MG . 52080 1 894 . 1 . 1 83 83 THR HG23 H 1 1.094 0.000 . 1 . . . . . 243 T MG . 52080 1 895 . 1 . 1 83 83 THR C C 13 174.561 0.004 . 1 . . . . . 243 T C . 52080 1 896 . 1 . 1 83 83 THR CA C 13 62.134 0.000 . 1 . . . . . 243 T CA . 52080 1 897 . 1 . 1 83 83 THR CB C 13 69.944 0.000 . 1 . . . . . 243 T CB . 52080 1 898 . 1 . 1 83 83 THR CG2 C 13 21.596 0.000 . 1 . . . . . 243 T CG2 . 52080 1 899 . 1 . 1 83 83 THR N N 15 115.380 0.031 . 1 . . . . . 243 T N . 52080 1 900 . 1 . 1 84 84 ILE H H 1 8.166 0.006 . 1 . . . . . 244 I H . 52080 1 901 . 1 . 1 84 84 ILE HA H 1 4.110 0.000 . 1 . . . . . 244 I HA . 52080 1 902 . 1 . 1 84 84 ILE HB H 1 1.797 0.000 . 1 . . . . . 244 I HB . 52080 1 903 . 1 . 1 84 84 ILE HG12 H 1 1.124 0.000 . 2 . . . . . 244 I HG1# . 52080 1 904 . 1 . 1 84 84 ILE HG13 H 1 1.124 0.000 . 2 . . . . . 244 I HG1# . 52080 1 905 . 1 . 1 84 84 ILE HG21 H 1 1.413 0.000 . 1 . . . . . 244 I MG . 52080 1 906 . 1 . 1 84 84 ILE HG22 H 1 1.413 0.000 . 1 . . . . . 244 I MG . 52080 1 907 . 1 . 1 84 84 ILE HG23 H 1 1.413 0.000 . 1 . . . . . 244 I MG . 52080 1 908 . 1 . 1 84 84 ILE HD11 H 1 0.822 0.000 . 1 . . . . . 244 I MD . 52080 1 909 . 1 . 1 84 84 ILE HD12 H 1 0.822 0.000 . 1 . . . . . 244 I MD . 52080 1 910 . 1 . 1 84 84 ILE HD13 H 1 0.822 0.000 . 1 . . . . . 244 I MD . 52080 1 911 . 1 . 1 84 84 ILE C C 13 176.672 0.002 . 1 . . . . . 244 I C . 52080 1 912 . 1 . 1 84 84 ILE CA C 13 61.426 0.000 . 1 . . . . . 244 I CA . 52080 1 913 . 1 . 1 84 84 ILE CB C 13 38.624 0.000 . 1 . . . . . 244 I CB . 52080 1 914 . 1 . 1 84 84 ILE CG1 C 13 27.179 0.000 . 1 . . . . . 244 I CG1 . 52080 1 915 . 1 . 1 84 84 ILE CG2 C 13 17.254 0.000 . 1 . . . . . 244 I CG2 . 52080 1 916 . 1 . 1 84 84 ILE CD1 C 13 13.017 0.000 . 1 . . . . . 244 I CD1 . 52080 1 917 . 1 . 1 84 84 ILE N N 15 123.389 0.028 . 1 . . . . . 244 I N . 52080 1 918 . 1 . 1 85 85 GLY H H 1 8.450 0.004 . 1 . . . . . 245 G H . 52080 1 919 . 1 . 1 85 85 GLY HA2 H 1 3.854 0.000 . 2 . . . . . 245 G HA . 52080 1 920 . 1 . 1 85 85 GLY HA3 H 1 3.854 0.000 . 2 . . . . . 245 G HA . 52080 1 921 . 1 . 1 85 85 GLY C C 13 173.822 0.001 . 1 . . . . . 245 G C . 52080 1 922 . 1 . 1 85 85 GLY CA C 13 45.246 0.000 . 1 . . . . . 245 G CA . 52080 1 923 . 1 . 1 85 85 GLY N N 15 112.912 0.030 . 1 . . . . . 245 G N . 52080 1 924 . 1 . 1 86 86 LYS H H 1 8.090 0.001 . 1 . . . . . 246 K H . 52080 1 925 . 1 . 1 86 86 LYS HA H 1 4.229 0.000 . 1 . . . . . 246 K HA . 52080 1 926 . 1 . 1 86 86 LYS HB2 H 1 1.682 0.000 . 2 . . . . . 246 K QB . 52080 1 927 . 1 . 1 86 86 LYS HB3 H 1 1.682 0.000 . 2 . . . . . 246 K QB . 52080 1 928 . 1 . 1 86 86 LYS HG2 H 1 1.304 0.000 . 4 . . . . . 246 K QG . 52080 1 929 . 1 . 1 86 86 LYS HG3 H 1 1.304 0.000 . 2 . . . . . 246 K QG . 52080 1 930 . 1 . 1 86 86 LYS HD2 H 1 1.578 0.000 . 4 . . . . . 246 K QD . 52080 1 931 . 1 . 1 86 86 LYS HD3 H 1 1.578 0.000 . 2 . . . . . 246 K QD . 52080 1 932 . 1 . 1 86 86 LYS HE2 H 1 2.882 0.000 . 2 . . . . . 246 K QE . 52080 1 933 . 1 . 1 86 86 LYS HE3 H 1 2.882 0.000 . 2 . . . . . 246 K QE . 52080 1 934 . 1 . 1 86 86 LYS C C 13 176.268 0.002 . 1 . . . . . 246 K C . 52080 1 935 . 1 . 1 86 86 LYS CA C 13 56.184 0.000 . 1 . . . . . 246 K CA . 52080 1 936 . 1 . 1 86 86 LYS CB C 13 33.233 0.000 . 1 . . . . . 246 K CB . 52080 1 937 . 1 . 1 86 86 LYS CG C 13 24.654 0.000 . 1 . . . . . 246 K CG . 52080 1 938 . 1 . 1 86 86 LYS CD C 13 29.136 0.000 . 1 . . . . . 246 K CD . 52080 1 939 . 1 . 1 86 86 LYS N N 15 121.004 0.034 . 1 . . . . . 246 K N . 52080 1 940 . 1 . 1 87 87 LYS H H 1 8.352 0.003 . 1 . . . . . 247 K H . 52080 1 941 . 1 . 1 87 87 LYS HA H 1 4.244 0.000 . 1 . . . . . 247 K HA . 52080 1 942 . 1 . 1 87 87 LYS HB2 H 1 1.689 0.000 . 2 . . . . . 247 K QB . 52080 1 943 . 1 . 1 87 87 LYS HB3 H 1 1.689 0.000 . 2 . . . . . 247 K QB . 52080 1 944 . 1 . 1 87 87 LYS HG2 H 1 1.324 0.000 . 4 . . . . . 247 K QG . 52080 1 945 . 1 . 1 87 87 LYS HG3 H 1 1.324 0.000 . 2 . . . . . 247 K QG . 52080 1 946 . 1 . 1 87 87 LYS HD2 H 1 1.599 0.000 . 4 . . . . . 247 K QD . 52080 1 947 . 1 . 1 87 87 LYS HD3 H 1 1.599 0.000 . 2 . . . . . 247 K QD . 52080 1 948 . 1 . 1 87 87 LYS HE2 H 1 2.894 0.000 . 2 . . . . . 247 K QE . 52080 1 949 . 1 . 1 87 87 LYS HE3 H 1 2.894 0.000 . 2 . . . . . 247 K QE . 52080 1 950 . 1 . 1 87 87 LYS C C 13 176.196 0.002 . 1 . . . . . 247 K C . 52080 1 951 . 1 . 1 87 87 LYS CA C 13 56.149 0.000 . 1 . . . . . 247 K CA . 52080 1 952 . 1 . 1 87 87 LYS CB C 13 32.971 0.000 . 1 . . . . . 247 K CB . 52080 1 953 . 1 . 1 87 87 LYS CG C 13 24.610 0.000 . 1 . . . . . 247 K CG . 52080 1 954 . 1 . 1 87 87 LYS CD C 13 29.153 0.000 . 1 . . . . . 247 K CD . 52080 1 955 . 1 . 1 87 87 LYS N N 15 123.293 0.035 . 1 . . . . . 247 K N . 52080 1 956 . 1 . 1 88 88 LEU H H 1 8.372 0.001 . 1 . . . . . 248 L H . 52080 1 957 . 1 . 1 88 88 LEU HA H 1 4.520 0.000 . 1 . . . . . 248 L HA . 52080 1 958 . 1 . 1 88 88 LEU HB2 H 1 1.613 0.000 . 2 . . . . . 248 L QB . 52080 1 959 . 1 . 1 88 88 LEU HB3 H 1 1.613 0.000 . 2 . . . . . 248 L QB . 52080 1 960 . 1 . 1 88 88 LEU HG H 1 1.513 0.000 . 1 . . . . . 248 L HG . 52080 1 961 . 1 . 1 88 88 LEU HD11 H 1 0.845 0.000 . 2 . . . . . 248 L MD1 . 52080 1 962 . 1 . 1 88 88 LEU HD12 H 1 0.845 0.000 . 2 . . . . . 248 L MD1 . 52080 1 963 . 1 . 1 88 88 LEU HD13 H 1 0.845 0.000 . 2 . . . . . 248 L MD1 . 52080 1 964 . 1 . 1 88 88 LEU HD21 H 1 0.846 0.000 . 2 . . . . . 248 L MD2 . 52080 1 965 . 1 . 1 88 88 LEU HD22 H 1 0.846 0.000 . 2 . . . . . 248 L MD2 . 52080 1 966 . 1 . 1 88 88 LEU HD23 H 1 0.846 0.000 . 2 . . . . . 248 L MD2 . 52080 1 967 . 1 . 1 88 88 LEU C C 13 175.275 0.042 . 1 . . . . . 248 L C . 52080 1 968 . 1 . 1 88 88 LEU CA C 13 52.804 0.000 . 1 . . . . . 248 L CA . 52080 1 969 . 1 . 1 88 88 LEU CB C 13 42.277 0.000 . 1 . . . . . 248 L CB . 52080 1 970 . 1 . 1 88 88 LEU CG C 13 26.937 0.000 . 1 . . . . . 248 L CG . 52080 1 971 . 1 . 1 88 88 LEU N N 15 125.779 0.043 . 1 . . . . . 248 L N . 52080 1 972 . 1 . 1 89 89 PRO HA H 1 4.317 0.000 . 1 . . . . . 249 P HA . 52080 1 973 . 1 . 1 89 89 PRO HB2 H 1 2.221 0.000 . 2 . . . . . 249 P QB . 52080 1 974 . 1 . 1 89 89 PRO HB3 H 1 2.221 0.000 . 2 . . . . . 249 P QB . 52080 1 975 . 1 . 1 89 89 PRO HG2 H 1 1.916 0.000 . 2 . . . . . 249 P QG . 52080 1 976 . 1 . 1 89 89 PRO HG3 H 1 1.916 0.000 . 2 . . . . . 249 P QG . 52080 1 977 . 1 . 1 89 89 PRO HD2 H 1 3.526 0.000 . 2 . . . . . 249 P QD . 52080 1 978 . 1 . 1 89 89 PRO HD3 H 1 3.526 0.000 . 2 . . . . . 249 P QD . 52080 1 979 . 1 . 1 89 89 PRO C C 13 176.578 0.003 . 1 . . . . . 249 P C . 52080 1 980 . 1 . 1 89 89 PRO CA C 13 62.968 0.000 . 1 . . . . . 249 P CA . 52080 1 981 . 1 . 1 89 89 PRO CB C 13 32.019 0.000 . 1 . . . . . 249 P CB . 52080 1 982 . 1 . 1 89 89 PRO CG C 13 27.348 0.000 . 1 . . . . . 249 P CG . 52080 1 983 . 1 . 1 89 89 PRO CD C 13 50.482 0.000 . 1 . . . . . 249 P CD . 52080 1 984 . 1 . 1 89 89 PRO N N 15 136.107 0.038 . 1 . . . . . 249 P N . 52080 1 985 . 1 . 1 90 90 ALA H H 1 8.421 0.000 . 1 . . . . . 250 A H . 52080 1 986 . 1 . 1 90 90 ALA HA H 1 4.282 0.000 . 1 . . . . . 250 A HA . 52080 1 987 . 1 . 1 90 90 ALA HB1 H 1 1.333 0.000 . 1 . . . . . 250 A MB . 52080 1 988 . 1 . 1 90 90 ALA HB2 H 1 1.333 0.000 . 1 . . . . . 250 A MB . 52080 1 989 . 1 . 1 90 90 ALA HB3 H 1 1.333 0.000 . 1 . . . . . 250 A MB . 52080 1 990 . 1 . 1 90 90 ALA C C 13 178.068 0.001 . 1 . . . . . 250 A C . 52080 1 991 . 1 . 1 90 90 ALA CA C 13 52.692 0.000 . 1 . . . . . 250 A CA . 52080 1 992 . 1 . 1 90 90 ALA CB C 13 19.179 0.000 . 1 . . . . . 250 A CB . 52080 1 993 . 1 . 1 90 90 ALA N N 15 124.386 0.039 . 1 . . . . . 250 A N . 52080 1 994 . 1 . 1 91 91 THR H H 1 8.165 0.000 . 1 . . . . . 251 T H . 52080 1 995 . 1 . 1 91 91 THR HA H 1 4.146 0.000 . 1 . . . . . 251 T HA . 52080 1 996 . 1 . 1 91 91 THR C C 13 174.679 0.002 . 1 . . . . . 251 T C . 52080 1 997 . 1 . 1 91 91 THR CA C 13 61.775 0.000 . 1 . . . . . 251 T CA . 52080 1 998 . 1 . 1 91 91 THR CB C 13 69.981 0.000 . 1 . . . . . 251 T CB . 52080 1 999 . 1 . 1 91 91 THR CG2 C 13 21.380 0.000 . 1 . . . . . 251 T CG2 . 52080 1 1000 . 1 . 1 91 91 THR N N 15 113.232 0.031 . 1 . . . . . 251 T N . 52080 1 1001 . 1 . 1 92 92 THR H H 1 8.111 0.000 . 1 . . . . . 252 T H . 52080 1 1002 . 1 . 1 92 92 THR HA H 1 4.139 0.000 . 1 . . . . . 252 T HA . 52080 1 1003 . 1 . 1 92 92 THR HG21 H 1 1.121 0.000 . 1 . . . . . 252 T MG . 52080 1 1004 . 1 . 1 92 92 THR HG22 H 1 1.121 0.000 . 1 . . . . . 252 T MG . 52080 1 1005 . 1 . 1 92 92 THR HG23 H 1 1.121 0.000 . 1 . . . . . 252 T MG . 52080 1 1006 . 1 . 1 92 92 THR C C 13 174.038 0.001 . 1 . . . . . 252 T C . 52080 1 1007 . 1 . 1 92 92 THR CA C 13 61.793 0.000 . 1 . . . . . 252 T CA . 52080 1 1008 . 1 . 1 92 92 THR CB C 13 69.999 0.000 . 1 . . . . . 252 T CB . 52080 1 1009 . 1 . 1 92 92 THR CG2 C 13 21.426 0.000 . 1 . . . . . 252 T CG2 . 52080 1 1010 . 1 . 1 92 92 THR N N 15 116.283 0.036 . 1 . . . . . 252 T N . 52080 1 1011 . 1 . 1 93 93 ALA H H 1 8.343 0.000 . 1 . . . . . 253 A H . 52080 1 1012 . 1 . 1 93 93 ALA HA H 1 4.315 0.000 . 1 . . . . . 253 A HA . 52080 1 1013 . 1 . 1 93 93 ALA HB1 H 1 1.300 0.000 . 1 . . . . . 253 A MB . 52080 1 1014 . 1 . 1 93 93 ALA HB2 H 1 1.300 0.000 . 1 . . . . . 253 A MB . 52080 1 1015 . 1 . 1 93 93 ALA HB3 H 1 1.300 0.000 . 1 . . . . . 253 A MB . 52080 1 1016 . 1 . 1 93 93 ALA C C 13 177.494 0.001 . 1 . . . . . 253 A C . 52080 1 1017 . 1 . 1 93 93 ALA CA C 13 52.469 0.000 . 1 . . . . . 253 A CA . 52080 1 1018 . 1 . 1 93 93 ALA CB C 13 19.291 0.000 . 1 . . . . . 253 A CB . 52080 1 1019 . 1 . 1 93 93 ALA N N 15 126.863 0.041 . 1 . . . . . 253 A N . 52080 1 1020 . 1 . 1 94 94 THR H H 1 8.250 0.000 . 1 . . . . . 254 T H . 52080 1 1021 . 1 . 1 94 94 THR HA H 1 4.512 0.000 . 1 . . . . . 254 T HA . 52080 1 1022 . 1 . 1 94 94 THR HB H 1 4.108 0.000 . 1 . . . . . 254 T HB . 52080 1 1023 . 1 . 1 94 94 THR HG21 H 1 1.168 0.000 . 1 . . . . . 254 T MG . 52080 1 1024 . 1 . 1 94 94 THR HG22 H 1 1.168 0.000 . 1 . . . . . 254 T MG . 52080 1 1025 . 1 . 1 94 94 THR HG23 H 1 1.168 0.000 . 1 . . . . . 254 T MG . 52080 1 1026 . 1 . 1 94 94 THR C C 13 173.162 0.001 . 1 . . . . . 254 T C . 52080 1 1027 . 1 . 1 94 94 THR CA C 13 59.667 0.000 . 1 . . . . . 254 T CA . 52080 1 1028 . 1 . 1 94 94 THR CB C 13 69.766 0.000 . 1 . . . . . 254 T CB . 52080 1 1029 . 1 . 1 94 94 THR CG2 C 13 21.510 0.000 . 1 . . . . . 254 T CG2 . 52080 1 1030 . 1 . 1 94 94 THR N N 15 116.205 0.032 . 1 . . . . . 254 T N . 52080 1 1031 . 1 . 1 95 95 PRO HA H 1 4.328 0.000 . 1 . . . . . 255 P HA . 52080 1 1032 . 1 . 1 95 95 PRO HB2 H 1 2.209 0.000 . 2 . . . . . 255 P QB . 52080 1 1033 . 1 . 1 95 95 PRO HB3 H 1 2.209 0.000 . 2 . . . . . 255 P QB . 52080 1 1034 . 1 . 1 95 95 PRO HG2 H 1 1.906 0.000 . 2 . . . . . 255 P QG . 52080 1 1035 . 1 . 1 95 95 PRO HG3 H 1 1.906 0.000 . 2 . . . . . 255 P QG . 52080 1 1036 . 1 . 1 95 95 PRO HD2 H 1 3.784 0.000 . 2 . . . . . 255 P HD2 . 52080 1 1037 . 1 . 1 95 95 PRO HD3 H 1 3.676 0.000 . 2 . . . . . 255 P HD3 . 52080 1 1038 . 1 . 1 95 95 PRO C C 13 176.769 0.002 . 1 . . . . . 255 P C . 52080 1 1039 . 1 . 1 95 95 PRO CA C 13 63.491 0.000 . 1 . . . . . 255 P CA . 52080 1 1040 . 1 . 1 95 95 PRO CB C 13 32.001 0.000 . 1 . . . . . 255 P CB . 52080 1 1041 . 1 . 1 95 95 PRO CG C 13 27.404 0.000 . 1 . . . . . 255 P CG . 52080 1 1042 . 1 . 1 95 95 PRO CD C 13 51.117 0.000 . 1 . . . . . 255 P CD . 52080 1 1043 . 1 . 1 95 95 PRO N N 15 138.874 0.047 . 1 . . . . . 255 P N . 52080 1 1044 . 1 . 1 96 96 ASP H H 1 8.434 0.002 . 1 . . . . . 256 D H . 52080 1 1045 . 1 . 1 96 96 ASP HA H 1 4.534 0.000 . 1 . . . . . 256 D HA . 52080 1 1046 . 1 . 1 96 96 ASP HB2 H 1 2.624 0.000 . 2 . . . . . 256 D QB . 52080 1 1047 . 1 . 1 96 96 ASP HB3 H 1 2.624 0.000 . 2 . . . . . 256 D QB . 52080 1 1048 . 1 . 1 96 96 ASP C C 13 176.751 0.003 . 1 . . . . . 256 D C . 52080 1 1049 . 1 . 1 96 96 ASP CA C 13 54.352 0.000 . 1 . . . . . 256 D CA . 52080 1 1050 . 1 . 1 96 96 ASP CB C 13 41.148 0.000 . 1 . . . . . 256 D CB . 52080 1 1051 . 1 . 1 96 96 ASP N N 15 120.566 0.032 . 1 . . . . . 256 D N . 52080 1 1052 . 1 . 1 97 97 SER H H 1 8.354 0.003 . 1 . . . . . 257 S H . 52080 1 1053 . 1 . 1 97 97 SER HA H 1 4.372 0.000 . 1 . . . . . 257 S HA . 52080 1 1054 . 1 . 1 97 97 SER HB2 H 1 3.846 0.000 . 2 . . . . . 257 S QB . 52080 1 1055 . 1 . 1 97 97 SER HB3 H 1 3.846 0.000 . 2 . . . . . 257 S QB . 52080 1 1056 . 1 . 1 97 97 SER C C 13 174.981 0.003 . 1 . . . . . 257 S C . 52080 1 1057 . 1 . 1 97 97 SER CA C 13 59.005 0.000 . 1 . . . . . 257 S CA . 52080 1 1058 . 1 . 1 97 97 SER CB C 13 64.171 0.000 . 1 . . . . . 257 S CB . 52080 1 1059 . 1 . 1 97 97 SER N N 15 117.646 1.118 . 1 . . . . . 257 S N . 52080 1 1060 . 1 . 1 98 98 SER H H 1 8.402 0.000 . 1 . . . . . 258 S H . 52080 1 1061 . 1 . 1 98 98 SER C C 13 174.780 0.006 . 1 . . . . . 258 S C . 52080 1 1062 . 1 . 1 98 98 SER CA C 13 59.276 0.000 . 1 . . . . . 258 S CA . 52080 1 1063 . 1 . 1 98 98 SER CB C 13 64.302 0.000 . 1 . . . . . 258 S CB . 52080 1 1064 . 1 . 1 98 98 SER N N 15 117.971 0.060 . 1 . . . . . 258 S N . 52080 1 1065 . 1 . 1 99 99 LYS H H 1 8.168 0.000 . 1 . . . . . 259 K H . 52080 1 1066 . 1 . 1 99 99 LYS HA H 1 4.315 0.000 . 1 . . . . . 259 K HA . 52080 1 1067 . 1 . 1 99 99 LYS HB2 H 1 1.774 0.000 . 2 . . . . . 259 K QB . 52080 1 1068 . 1 . 1 99 99 LYS HB3 H 1 1.774 0.000 . 2 . . . . . 259 K QB . 52080 1 1069 . 1 . 1 99 99 LYS HG2 H 1 1.361 0.000 . 4 . . . . . 259 K QG . 52080 1 1070 . 1 . 1 99 99 LYS HG3 H 1 1.361 0.000 . 2 . . . . . 259 K QG . 52080 1 1071 . 1 . 1 99 99 LYS HD2 H 1 1.618 0.000 . 4 . . . . . 259 K QD . 52080 1 1072 . 1 . 1 99 99 LYS HD3 H 1 1.618 0.000 . 2 . . . . . 259 K QD . 52080 1 1073 . 1 . 1 99 99 LYS HE2 H 1 2.909 0.000 . 2 . . . . . 259 K QE . 52080 1 1074 . 1 . 1 99 99 LYS HE3 H 1 2.909 0.000 . 2 . . . . . 259 K QE . 52080 1 1075 . 1 . 1 99 99 LYS C C 13 176.878 0.004 . 1 . . . . . 259 K C . 52080 1 1076 . 1 . 1 99 99 LYS CA C 13 56.711 0.000 . 1 . . . . . 259 K CA . 52080 1 1077 . 1 . 1 99 99 LYS CB C 13 32.840 0.000 . 1 . . . . . 259 K CB . 52080 1 1078 . 1 . 1 99 99 LYS CG C 13 24.653 0.000 . 1 . . . . . 259 K CG . 52080 1 1079 . 1 . 1 99 99 LYS CD C 13 28.877 0.000 . 1 . . . . . 259 K CD . 52080 1 1080 . 1 . 1 99 99 LYS N N 15 122.832 0.048 . 1 . . . . . 259 K N . 52080 1 1081 . 1 . 1 100 100 THR H H 1 8.131 0.003 . 1 . . . . . 260 T H . 52080 1 1082 . 1 . 1 100 100 THR HA H 1 4.142 0.000 . 1 . . . . . 260 T HA . 52080 1 1083 . 1 . 1 100 100 THR HG21 H 1 1.136 0.000 . 1 . . . . . 260 T MG . 52080 1 1084 . 1 . 1 100 100 THR HG22 H 1 1.136 0.000 . 1 . . . . . 260 T MG . 52080 1 1085 . 1 . 1 100 100 THR HG23 H 1 1.136 0.000 . 1 . . . . . 260 T MG . 52080 1 1086 . 1 . 1 100 100 THR C C 13 174.916 0.002 . 1 . . . . . 260 T C . 52080 1 1087 . 1 . 1 100 100 THR CA C 13 62.381 0.000 . 1 . . . . . 260 T CA . 52080 1 1088 . 1 . 1 100 100 THR CB C 13 69.943 0.000 . 1 . . . . . 260 T CB . 52080 1 1089 . 1 . 1 100 100 THR CG2 C 13 21.548 0.000 . 1 . . . . . 260 T CG2 . 52080 1 1090 . 1 . 1 100 100 THR N N 15 114.911 0.029 . 1 . . . . . 260 T N . 52080 1 1091 . 1 . 1 101 101 GLU H H 1 8.416 0.000 . 1 . . . . . 261 E H . 52080 1 1092 . 1 . 1 101 101 GLU HA H 1 4.211 0.000 . 1 . . . . . 261 E HA . 52080 1 1093 . 1 . 1 101 101 GLU HB2 H 1 1.911 0.000 . 2 . . . . . 261 E QB . 52080 1 1094 . 1 . 1 101 101 GLU HB3 H 1 1.911 0.000 . 2 . . . . . 261 E QB . 52080 1 1095 . 1 . 1 101 101 GLU HG2 H 1 2.189 0.000 . 2 . . . . . 261 E QG . 52080 1 1096 . 1 . 1 101 101 GLU HG3 H 1 2.189 0.000 . 2 . . . . . 261 E QG . 52080 1 1097 . 1 . 1 101 101 GLU C C 13 176.791 0.003 . 1 . . . . . 261 E C . 52080 1 1098 . 1 . 1 101 101 GLU CA C 13 56.963 0.000 . 1 . . . . . 261 E CA . 52080 1 1099 . 1 . 1 101 101 GLU CB C 13 29.931 0.000 . 1 . . . . . 261 E CB . 52080 1 1100 . 1 . 1 101 101 GLU CG C 13 36.048 0.000 . 1 . . . . . 261 E CG . 52080 1 1101 . 1 . 1 101 101 GLU N N 15 123.185 0.031 . 1 . . . . . 261 E N . 52080 1 1102 . 1 . 1 102 102 MET H H 1 8.360 0.001 . 1 . . . . . 262 M H . 52080 1 1103 . 1 . 1 102 102 MET HA H 1 4.327 0.000 . 1 . . . . . 262 M HA . 52080 1 1104 . 1 . 1 102 102 MET HB2 H 1 1.969 0.000 . 2 . . . . . 262 M QB . 52080 1 1105 . 1 . 1 102 102 MET HB3 H 1 1.969 0.000 . 2 . . . . . 262 M QB . 52080 1 1106 . 1 . 1 102 102 MET HG2 H 1 2.491 0.000 . 2 . . . . . 262 M QG . 52080 1 1107 . 1 . 1 102 102 MET HG3 H 1 2.491 0.000 . 2 . . . . . 262 M QG . 52080 1 1108 . 1 . 1 102 102 MET C C 13 176.362 0.001 . 1 . . . . . 262 M C . 52080 1 1109 . 1 . 1 102 102 MET CA C 13 56.115 0.000 . 1 . . . . . 262 M CA . 52080 1 1110 . 1 . 1 102 102 MET CB C 13 31.945 0.000 . 1 . . . . . 262 M CB . 52080 1 1111 . 1 . 1 102 102 MET CG C 13 31.963 0.000 . 1 . . . . . 262 M CG . 52080 1 1112 . 1 . 1 102 102 MET N N 15 121.012 0.048 . 1 . . . . . 262 M N . 52080 1 1113 . 1 . 1 103 103 ASP H H 1 8.354 0.000 . 1 . . . . . 263 D H . 52080 1 1114 . 1 . 1 103 103 ASP HA H 1 4.523 0.000 . 1 . . . . . 263 D HA . 52080 1 1115 . 1 . 1 103 103 ASP HB2 H 1 2.633 0.000 . 2 . . . . . 263 D QB . 52080 1 1116 . 1 . 1 103 103 ASP HB3 H 1 2.633 0.000 . 2 . . . . . 263 D QB . 52080 1 1117 . 1 . 1 103 103 ASP C C 13 176.637 0.002 . 1 . . . . . 263 D C . 52080 1 1118 . 1 . 1 103 103 ASP CA C 13 54.641 0.000 . 1 . . . . . 263 D CA . 52080 1 1119 . 1 . 1 103 103 ASP CB C 13 41.214 0.000 . 1 . . . . . 263 D CB . 52080 1 1120 . 1 . 1 103 103 ASP N N 15 121.579 0.034 . 1 . . . . . 263 D N . 52080 1 1121 . 1 . 1 104 104 SER H H 1 8.283 0.000 . 1 . . . . . 264 S H . 52080 1 1122 . 1 . 1 104 104 SER HA H 1 4.318 0.000 . 1 . . . . . 264 S HA . 52080 1 1123 . 1 . 1 104 104 SER HB2 H 1 3.827 0.000 . 2 . . . . . 264 S QB . 52080 1 1124 . 1 . 1 104 104 SER HB3 H 1 3.827 0.000 . 2 . . . . . 264 S QB . 52080 1 1125 . 1 . 1 104 104 SER C C 13 175.020 0.005 . 1 . . . . . 264 S C . 52080 1 1126 . 1 . 1 104 104 SER CA C 13 58.875 0.000 . 1 . . . . . 264 S CA . 52080 1 1127 . 1 . 1 104 104 SER CB C 13 64.125 0.000 . 1 . . . . . 264 S CB . 52080 1 1128 . 1 . 1 104 104 SER N N 15 116.800 0.028 . 1 . . . . . 264 S N . 52080 1 1129 . 1 . 1 105 105 ARG H H 1 8.278 0.002 . 1 . . . . . 265 R H . 52080 1 1130 . 1 . 1 105 105 ARG HA H 1 4.294 0.000 . 1 . . . . . 265 R HA . 52080 1 1131 . 1 . 1 105 105 ARG HB2 H 1 1.798 0.000 . 2 . . . . . 265 R QB . 52080 1 1132 . 1 . 1 105 105 ARG HB3 H 1 1.798 0.000 . 2 . . . . . 265 R QB . 52080 1 1133 . 1 . 1 105 105 ARG HG2 H 1 1.590 0.000 . 2 . . . . . 265 R QG . 52080 1 1134 . 1 . 1 105 105 ARG HG3 H 1 1.590 0.000 . 2 . . . . . 265 R QG . 52080 1 1135 . 1 . 1 105 105 ARG HD2 H 1 3.109 0.000 . 2 . . . . . 265 R QD . 52080 1 1136 . 1 . 1 105 105 ARG HD3 H 1 3.109 0.000 . 2 . . . . . 265 R QD . 52080 1 1137 . 1 . 1 105 105 ARG HE H 1 7.400 0.000 . 1 . . . . . 265 R HE . 52080 1 1138 . 1 . 1 105 105 ARG C C 13 176.842 0.002 . 1 . . . . . 265 R C . 52080 1 1139 . 1 . 1 105 105 ARG CA C 13 56.740 0.000 . 1 . . . . . 265 R CA . 52080 1 1140 . 1 . 1 105 105 ARG CB C 13 30.340 0.000 . 1 . . . . . 265 R CB . 52080 1 1141 . 1 . 1 105 105 ARG CG C 13 26.961 0.000 . 1 . . . . . 265 R CG . 52080 1 1142 . 1 . 1 105 105 ARG CD C 13 43.369 0.000 . 1 . . . . . 265 R CD . 52080 1 1143 . 1 . 1 105 105 ARG N N 15 122.402 0.030 . 1 . . . . . 265 R N . 52080 1 1144 . 1 . 1 105 105 ARG NE N 15 84.946 0.000 . 1 . . . . . 265 R NE . 52080 1 1145 . 1 . 1 106 106 THR H H 1 8.114 0.002 . 1 . . . . . 266 T H . 52080 1 1146 . 1 . 1 106 106 THR HA H 1 4.127 0.000 . 1 . . . . . 266 T HA . 52080 1 1147 . 1 . 1 106 106 THR HG21 H 1 1.149 0.000 . 1 . . . . . 266 T MG . 52080 1 1148 . 1 . 1 106 106 THR HG22 H 1 1.149 0.000 . 1 . . . . . 266 T MG . 52080 1 1149 . 1 . 1 106 106 THR HG23 H 1 1.149 0.000 . 1 . . . . . 266 T MG . 52080 1 1150 . 1 . 1 106 106 THR C C 13 174.470 0.001 . 1 . . . . . 266 T C . 52080 1 1151 . 1 . 1 106 106 THR CA C 13 62.212 0.000 . 1 . . . . . 266 T CA . 52080 1 1152 . 1 . 1 106 106 THR CB C 13 69.761 0.000 . 1 . . . . . 266 T CB . 52080 1 1153 . 1 . 1 106 106 THR CG2 C 13 21.611 0.000 . 1 . . . . . 266 T CG2 . 52080 1 1154 . 1 . 1 106 106 THR N N 15 114.741 0.035 . 1 . . . . . 266 T N . 52080 1 1155 . 1 . 1 107 107 LYS H H 1 8.249 0.001 . 1 . . . . . 267 K H . 52080 1 1156 . 1 . 1 107 107 LYS HA H 1 4.303 0.000 . 1 . . . . . 267 K HA . 52080 1 1157 . 1 . 1 107 107 LYS HB2 H 1 1.774 0.000 . 2 . . . . . 267 K QB . 52080 1 1158 . 1 . 1 107 107 LYS HB3 H 1 1.774 0.000 . 2 . . . . . 267 K QB . 52080 1 1159 . 1 . 1 107 107 LYS HG2 H 1 1.348 0.000 . 4 . . . . . 267 K QG . 52080 1 1160 . 1 . 1 107 107 LYS HG3 H 1 1.348 0.000 . 2 . . . . . 267 K QG . 52080 1 1161 . 1 . 1 107 107 LYS HD2 H 1 1.675 0.000 . 4 . . . . . 267 K QD . 52080 1 1162 . 1 . 1 107 107 LYS HD3 H 1 1.675 0.000 . 2 . . . . . 267 K QD . 52080 1 1163 . 1 . 1 107 107 LYS HE2 H 1 2.900 0.000 . 2 . . . . . 267 K QE . 52080 1 1164 . 1 . 1 107 107 LYS HE3 H 1 2.900 0.000 . 2 . . . . . 267 K QE . 52080 1 1165 . 1 . 1 107 107 LYS C C 13 176.529 0.002 . 1 . . . . . 267 K C . 52080 1 1166 . 1 . 1 107 107 LYS CA C 13 56.391 0.000 . 1 . . . . . 267 K CA . 52080 1 1167 . 1 . 1 107 107 LYS CB C 13 33.011 0.000 . 1 . . . . . 267 K CB . 52080 1 1168 . 1 . 1 107 107 LYS CG C 13 24.542 0.000 . 1 . . . . . 267 K CG . 52080 1 1169 . 1 . 1 107 107 LYS CD C 13 28.989 0.000 . 1 . . . . . 267 K CD . 52080 1 1170 . 1 . 1 107 107 LYS N N 15 124.114 0.035 . 1 . . . . . 267 K N . 52080 1 1171 . 1 . 1 108 108 SER H H 1 8.389 0.000 . 1 . . . . . 268 S H . 52080 1 1172 . 1 . 1 108 108 SER HA H 1 4.406 0.000 . 1 . . . . . 268 S HA . 52080 1 1173 . 1 . 1 108 108 SER HB2 H 1 3.778 0.000 . 2 . . . . . 268 S QB . 52080 1 1174 . 1 . 1 108 108 SER HB3 H 1 3.778 0.000 . 2 . . . . . 268 S QB . 52080 1 1175 . 1 . 1 108 108 SER C C 13 174.600 0.002 . 1 . . . . . 268 S C . 52080 1 1176 . 1 . 1 108 108 SER CA C 13 58.312 0.000 . 1 . . . . . 268 S CA . 52080 1 1177 . 1 . 1 108 108 SER CB C 13 64.313 0.000 . 1 . . . . . 268 S CB . 52080 1 1178 . 1 . 1 108 108 SER N N 15 117.724 0.031 . 1 . . . . . 268 S N . 52080 1 1179 . 1 . 1 109 109 LYS H H 1 8.525 0.000 . 1 . . . . . 269 K H . 52080 1 1180 . 1 . 1 109 109 LYS N N 15 123.190 0.032 . 1 . . . . . 269 K N . 52080 1 1181 . 1 . 1 110 110 ASP C C 13 173.995 0.013 . 1 . . . . . 270 D C . 52080 1 1182 . 1 . 1 111 111 TYR H H 1 8.950 0.002 . 1 . . . . . 271 Y H . 52080 1 1183 . 1 . 1 111 111 TYR C C 13 175.034 0.000 . 1 . . . . . 271 Y C . 52080 1 1184 . 1 . 1 111 111 TYR N N 15 118.745 0.033 . 1 . . . . . 271 Y N . 52080 1 1185 . 1 . 1 112 112 CYS H H 1 9.276 0.001 . 1 . . . . . 272 C H . 52080 1 1186 . 1 . 1 112 112 CYS C C 13 171.462 0.006 . 1 . . . . . 272 C C . 52080 1 1187 . 1 . 1 112 112 CYS N N 15 114.840 0.007 . 1 . . . . . 272 C N . 52080 1 1188 . 1 . 1 113 113 LYS H H 1 9.117 0.002 . 1 . . . . . 273 K H . 52080 1 1189 . 1 . 1 113 113 LYS C C 13 175.821 0.009 . 1 . . . . . 273 K C . 52080 1 1190 . 1 . 1 113 113 LYS N N 15 123.125 0.014 . 1 . . . . . 273 K N . 52080 1 1191 . 1 . 1 114 114 VAL H H 1 8.976 0.002 . 1 . . . . . 274 V H . 52080 1 1192 . 1 . 1 114 114 VAL C C 13 176.650 0.007 . 1 . . . . . 274 V C . 52080 1 1193 . 1 . 1 114 114 VAL N N 15 127.489 0.016 . 1 . . . . . 274 V N . 52080 1 1194 . 1 . 1 115 115 ILE H H 1 9.040 0.000 . 1 . . . . . 275 I H . 52080 1 1195 . 1 . 1 115 115 ILE C C 13 174.475 0.001 . 1 . . . . . 275 I C . 52080 1 1196 . 1 . 1 115 115 ILE N N 15 126.874 0.031 . 1 . . . . . 275 I N . 52080 1 1197 . 1 . 1 116 116 PHE H H 1 7.721 0.002 . 1 . . . . . 276 F H . 52080 1 1198 . 1 . 1 116 116 PHE N N 15 121.864 0.040 . 1 . . . . . 276 F N . 52080 1 1199 . 1 . 1 117 117 PRO C C 13 175.755 0.004 . 1 . . . . . 277 P C . 52080 1 1200 . 1 . 1 118 118 TYR H H 1 8.534 0.000 . 1 . . . . . 278 Y H . 52080 1 1201 . 1 . 1 118 118 TYR C C 13 172.899 0.005 . 1 . . . . . 278 Y C . 52080 1 1202 . 1 . 1 118 118 TYR N N 15 118.370 0.016 . 1 . . . . . 278 Y N . 52080 1 1203 . 1 . 1 119 119 GLU H H 1 7.464 0.001 . 1 . . . . . 279 E H . 52080 1 1204 . 1 . 1 119 119 GLU N N 15 127.498 0.023 . 1 . . . . . 279 E N . 52080 1 1205 . 1 . 1 120 120 ALA H H 1 8.364 0.000 . 1 . . . . . 280 A H . 52080 1 1206 . 1 . 1 120 120 ALA C C 13 179.153 0.024 . 1 . . . . . 280 A C . 52080 1 1207 . 1 . 1 120 120 ALA N N 15 126.881 0.000 . 1 . . . . . 280 A N . 52080 1 1208 . 1 . 1 121 121 GLN H H 1 9.268 0.012 . 1 . . . . . 281 Q H . 52080 1 1209 . 1 . 1 121 121 GLN C C 13 175.377 0.022 . 1 . . . . . 281 Q C . 52080 1 1210 . 1 . 1 121 121 GLN N N 15 120.278 0.028 . 1 . . . . . 281 Q N . 52080 1 1211 . 1 . 1 122 122 ASN H H 1 7.492 0.009 . 1 . . . . . 282 N H . 52080 1 1212 . 1 . 1 122 122 ASN C C 13 175.495 0.317 . 1 . . . . . 282 N C . 52080 1 1213 . 1 . 1 122 122 ASN N N 15 113.050 0.078 . 1 . . . . . 282 N N . 52080 1 1214 . 1 . 1 123 123 ASP H H 1 8.697 0.011 . 1 . . . . . 283 D H . 52080 1 1215 . 1 . 1 123 123 ASP C C 13 171.351 0.003 . 1 . . . . . 283 D C . 52080 1 1216 . 1 . 1 123 123 ASP N N 15 118.251 0.034 . 1 . . . . . 283 D N . 52080 1 1217 . 1 . 1 124 124 ASP H H 1 8.541 0.025 . 1 . . . . . 284 D H . 52080 1 1218 . 1 . 1 124 124 ASP C C 13 176.107 0.000 . 1 . . . . . 284 D C . 52080 1 1219 . 1 . 1 124 124 ASP N N 15 116.321 0.445 . 1 . . . . . 284 D N . 52080 1 1220 . 1 . 1 125 125 GLU H H 1 7.518 0.002 . 1 . . . . . 285 E H . 52080 1 1221 . 1 . 1 125 125 GLU C C 13 174.798 0.002 . 1 . . . . . 285 E C . 52080 1 1222 . 1 . 1 125 125 GLU N N 15 119.547 0.010 . 1 . . . . . 285 E N . 52080 1 1223 . 1 . 1 126 126 LEU H H 1 8.904 0.000 . 1 . . . . . 286 L H . 52080 1 1224 . 1 . 1 126 126 LEU N N 15 123.669 0.006 . 1 . . . . . 286 L N . 52080 1 1225 . 1 . 1 127 127 THR C C 13 175.305 0.007 . 1 . . . . . 287 T C . 52080 1 1226 . 1 . 1 128 128 ILE H H 1 9.286 0.002 . 1 . . . . . 288 I H . 52080 1 1227 . 1 . 1 128 128 ILE C C 13 174.222 0.008 . 1 . . . . . 288 I C . 52080 1 1228 . 1 . 1 128 128 ILE N N 15 122.094 0.006 . 1 . . . . . 288 I N . 52080 1 1229 . 1 . 1 129 129 LYS H H 1 9.191 0.002 . 1 . . . . . 289 K H . 52080 1 1230 . 1 . 1 129 129 LYS C C 13 175.101 0.006 . 1 . . . . . 289 K C . 52080 1 1231 . 1 . 1 129 129 LYS N N 15 124.250 0.036 . 1 . . . . . 289 K N . 52080 1 1232 . 1 . 1 130 130 GLU H H 1 8.820 0.003 . 1 . . . . . 290 E H . 52080 1 1233 . 1 . 1 130 130 GLU C C 13 177.285 0.011 . 1 . . . . . 290 E C . 52080 1 1234 . 1 . 1 130 130 GLU N N 15 120.690 0.036 . 1 . . . . . 290 E N . 52080 1 1235 . 1 . 1 131 131 GLY H H 1 8.688 0.000 . 1 . . . . . 291 G H . 52080 1 1236 . 1 . 1 131 131 GLY N N 15 113.921 0.042 . 1 . . . . . 291 G N . 52080 1 1237 . 1 . 1 132 132 ASP C C 13 175.128 0.002 . 1 . . . . . 292 D C . 52080 1 1238 . 1 . 1 133 133 ILE H H 1 8.355 0.004 . 1 . . . . . 293 I H . 52080 1 1239 . 1 . 1 133 133 ILE C C 13 175.800 0.000 . 1 . . . . . 293 I C . 52080 1 1240 . 1 . 1 133 133 ILE N N 15 120.406 0.037 . 1 . . . . . 293 I N . 52080 1 1241 . 1 . 1 134 134 VAL H H 1 8.970 0.001 . 1 . . . . . 294 V H . 52080 1 1242 . 1 . 1 134 134 VAL C C 13 176.094 0.001 . 1 . . . . . 294 V C . 52080 1 1243 . 1 . 1 134 134 VAL N N 15 129.049 0.010 . 1 . . . . . 294 V N . 52080 1 1244 . 1 . 1 135 135 THR H H 1 8.995 0.002 . 1 . . . . . 295 T H . 52080 1 1245 . 1 . 1 135 135 THR C C 13 173.964 0.004 . 1 . . . . . 295 T C . 52080 1 1246 . 1 . 1 135 135 THR N N 15 124.747 0.005 . 1 . . . . . 295 T N . 52080 1 1247 . 1 . 1 136 136 LEU H H 1 8.895 0.001 . 1 . . . . . 296 L H . 52080 1 1248 . 1 . 1 136 136 LEU C C 13 175.699 0.006 . 1 . . . . . 296 L C . 52080 1 1249 . 1 . 1 136 136 LEU N N 15 130.473 0.023 . 1 . . . . . 296 L N . 52080 1 1250 . 1 . 1 137 137 ILE H H 1 8.954 0.001 . 1 . . . . . 297 I H . 52080 1 1251 . 1 . 1 137 137 ILE C C 13 175.838 0.003 . 1 . . . . . 297 I C . 52080 1 1252 . 1 . 1 137 137 ILE N N 15 125.488 0.012 . 1 . . . . . 297 I N . 52080 1 1253 . 1 . 1 138 138 ASN H H 1 7.810 0.001 . 1 . . . . . 298 N H . 52080 1 1254 . 1 . 1 138 138 ASN C C 13 173.491 0.004 . 1 . . . . . 298 N C . 52080 1 1255 . 1 . 1 138 138 ASN N N 15 116.106 0.011 . 1 . . . . . 298 N N . 52080 1 1256 . 1 . 1 139 139 LYS H H 1 8.626 0.002 . 1 . . . . . 299 K H . 52080 1 1257 . 1 . 1 139 139 LYS C C 13 175.706 0.007 . 1 . . . . . 299 K C . 52080 1 1258 . 1 . 1 139 139 LYS N N 15 123.550 0.004 . 1 . . . . . 299 K N . 52080 1 1259 . 1 . 1 140 140 ASP H H 1 7.988 0.003 . 1 . . . . . 300 D H . 52080 1 1260 . 1 . 1 140 140 ASP C C 13 175.633 0.003 . 1 . . . . . 300 D C . 52080 1 1261 . 1 . 1 140 140 ASP N N 15 121.295 0.042 . 1 . . . . . 300 D N . 52080 1 1262 . 1 . 1 141 141 CYS H H 1 7.973 0.002 . 1 . . . . . 301 C H . 52080 1 1263 . 1 . 1 141 141 CYS N N 15 120.436 0.032 . 1 . . . . . 301 C N . 52080 1 1264 . 1 . 1 142 142 ILE C C 13 175.879 0.004 . 1 . . . . . 302 I C . 52080 1 1265 . 1 . 1 143 143 ASP H H 1 7.606 0.004 . 1 . . . . . 303 D H . 52080 1 1266 . 1 . 1 143 143 ASP N N 15 119.699 0.035 . 1 . . . . . 303 D N . 52080 1 1267 . 1 . 1 144 144 VAL C C 13 177.215 0.009 . 1 . . . . . 304 V C . 52080 1 1268 . 1 . 1 145 145 GLY H H 1 8.730 0.003 . 1 . . . . . 305 G H . 52080 1 1269 . 1 . 1 145 145 GLY C C 13 173.680 0.010 . 1 . . . . . 305 G C . 52080 1 1270 . 1 . 1 145 145 GLY N N 15 113.883 0.019 . 1 . . . . . 305 G N . 52080 1 1271 . 1 . 1 146 146 TRP H H 1 7.527 0.008 . 1 . . . . . 306 W H . 52080 1 1272 . 1 . 1 146 146 TRP HE1 H 1 9.914 0.000 . 1 . . . . . 306 W HE1 . 52080 1 1273 . 1 . 1 146 146 TRP C C 13 174.048 0.017 . 1 . . . . . 306 W C . 52080 1 1274 . 1 . 1 146 146 TRP N N 15 121.001 0.034 . 1 . . . . . 306 W N . 52080 1 1275 . 1 . 1 146 146 TRP NE1 N 15 129.576 0.000 . 1 . . . . . 306 W NE1 . 52080 1 1276 . 1 . 1 147 147 TRP H H 1 8.530 0.002 . 1 . . . . . 307 W H . 52080 1 1277 . 1 . 1 147 147 TRP HE1 H 1 10.055 0.000 . 1 . . . . . 307 W HE1 . 52080 1 1278 . 1 . 1 147 147 TRP C C 13 173.339 0.005 . 1 . . . . . 307 W C . 52080 1 1279 . 1 . 1 147 147 TRP N N 15 122.030 0.020 . 1 . . . . . 307 W N . 52080 1 1280 . 1 . 1 147 147 TRP NE1 N 15 128.254 0.000 . 1 . . . . . 307 W NE1 . 52080 1 1281 . 1 . 1 148 148 GLU H H 1 8.553 0.001 . 1 . . . . . 308 E H . 52080 1 1282 . 1 . 1 148 148 GLU C C 13 176.754 0.000 . 1 . . . . . 308 E C . 52080 1 1283 . 1 . 1 148 148 GLU N N 15 118.389 0.030 . 1 . . . . . 308 E N . 52080 1 1284 . 1 . 1 149 149 GLY H H 1 9.439 0.001 . 1 . . . . . 309 G H . 52080 1 1285 . 1 . 1 149 149 GLY C C 13 169.618 0.005 . 1 . . . . . 309 G C . 52080 1 1286 . 1 . 1 149 149 GLY N N 15 114.787 0.020 . 1 . . . . . 309 G N . 52080 1 1287 . 1 . 1 150 150 GLU H H 1 9.072 0.002 . 1 . . . . . 310 E H . 52080 1 1288 . 1 . 1 150 150 GLU C C 13 174.350 0.022 . 1 . . . . . 310 E C . 52080 1 1289 . 1 . 1 150 150 GLU N N 15 118.430 0.036 . 1 . . . . . 310 E N . 52080 1 1290 . 1 . 1 151 151 LEU H H 1 9.049 0.000 . 1 . . . . . 311 L H . 52080 1 1291 . 1 . 1 151 151 LEU C C 13 176.079 0.005 . 1 . . . . . 311 L C . 52080 1 1292 . 1 . 1 151 151 LEU N N 15 125.341 0.020 . 1 . . . . . 311 L N . 52080 1 1293 . 1 . 1 152 152 ASN H H 1 9.854 0.008 . 1 . . . . . 312 N H . 52080 1 1294 . 1 . 1 152 152 ASN N N 15 127.680 0.037 . 1 . . . . . 312 N N . 52080 1 1295 . 1 . 1 153 153 GLY H H 1 8.992 0.002 . 1 . . . . . 313 G H . 52080 1 1296 . 1 . 1 153 153 GLY C C 13 173.769 0.014 . 1 . . . . . 313 G C . 52080 1 1297 . 1 . 1 153 153 GLY N N 15 104.448 0.004 . 1 . . . . . 313 G N . 52080 1 1298 . 1 . 1 154 154 ARG H H 1 7.882 0.001 . 1 . . . . . 314 R H . 52080 1 1299 . 1 . 1 154 154 ARG HE H 1 7.352 0.000 . 1 . . . . . 314 R HE . 52080 1 1300 . 1 . 1 154 154 ARG C C 13 173.926 0.002 . 1 . . . . . 314 R C . 52080 1 1301 . 1 . 1 154 154 ARG N N 15 121.620 0.015 . 1 . . . . . 314 R N . 52080 1 1302 . 1 . 1 154 154 ARG NE N 15 85.222 0.000 . 1 . . . . . 314 R NE . 52080 1 1303 . 1 . 1 155 155 ARG H H 1 8.601 0.002 . 1 . . . . . 315 R H . 52080 1 1304 . 1 . 1 155 155 ARG HE H 1 7.462 0.000 . 1 . . . . . 315 R HE . 52080 1 1305 . 1 . 1 155 155 ARG C C 13 176.303 0.013 . 1 . . . . . 315 R C . 52080 1 1306 . 1 . 1 155 155 ARG N N 15 121.969 0.014 . 1 . . . . . 315 R N . 52080 1 1307 . 1 . 1 155 155 ARG NE N 15 84.649 0.000 . 1 . . . . . 315 R NE . 52080 1 1308 . 1 . 1 156 156 GLY H H 1 8.893 0.001 . 1 . . . . . 316 G H . 52080 1 1309 . 1 . 1 156 156 GLY C C 13 171.839 0.000 . 1 . . . . . 316 G C . 52080 1 1310 . 1 . 1 156 156 GLY N N 15 110.275 0.026 . 1 . . . . . 316 G N . 52080 1 1311 . 1 . 1 157 157 VAL H H 1 8.750 0.012 . 1 . . . . . 317 V H . 52080 1 1312 . 1 . 1 157 157 VAL C C 13 176.168 0.009 . 1 . . . . . 317 V C . 52080 1 1313 . 1 . 1 157 157 VAL N N 15 112.112 0.035 . 1 . . . . . 317 V N . 52080 1 1314 . 1 . 1 158 158 PHE H H 1 8.834 0.003 . 1 . . . . . 318 F H . 52080 1 1315 . 1 . 1 158 158 PHE N N 15 117.436 0.053 . 1 . . . . . 318 F N . 52080 1 1316 . 1 . 1 159 159 PRO C C 13 178.006 0.013 . 1 . . . . . 319 P C . 52080 1 1317 . 1 . 1 160 160 ASP H H 1 7.848 0.022 . 1 . . . . . 320 D H . 52080 1 1318 . 1 . 1 160 160 ASP N N 15 123.695 0.020 . 1 . . . . . 320 D N . 52080 1 1319 . 1 . 1 161 161 ASN C C 13 175.938 0.006 . 1 . . . . . 321 N C . 52080 1 1320 . 1 . 1 162 162 PHE H H 1 7.708 0.003 . 1 . . . . . 322 F H . 52080 1 1321 . 1 . 1 162 162 PHE C C 13 175.051 0.010 . 1 . . . . . 322 F C . 52080 1 1322 . 1 . 1 162 162 PHE N N 15 120.268 0.012 . 1 . . . . . 322 F N . 52080 1 1323 . 1 . 1 163 163 VAL H H 1 7.287 0.005 . 1 . . . . . 323 V H . 52080 1 1324 . 1 . 1 163 163 VAL C C 13 173.555 0.001 . 1 . . . . . 323 V C . 52080 1 1325 . 1 . 1 163 163 VAL N N 15 109.097 0.022 . 1 . . . . . 323 V N . 52080 1 1326 . 1 . 1 164 164 LYS H H 1 8.967 0.003 . 1 . . . . . 324 K H . 52080 1 1327 . 1 . 1 164 164 LYS C C 13 175.974 0.002 . 1 . . . . . 324 K C . 52080 1 1328 . 1 . 1 164 164 LYS N N 15 119.025 0.016 . 1 . . . . . 324 K N . 52080 1 1329 . 1 . 1 165 165 LEU H H 1 9.116 0.000 . 1 . . . . . 325 L H . 52080 1 1330 . 1 . 1 165 165 LEU C C 13 176.896 0.001 . 1 . . . . . 325 L C . 52080 1 1331 . 1 . 1 165 165 LEU N N 15 127.167 0.011 . 1 . . . . . 325 L N . 52080 1 1332 . 1 . 1 166 166 LEU H H 1 8.444 0.001 . 1 . . . . . 326 L H . 52080 1 1333 . 1 . 1 166 166 LEU N N 15 126.912 0.011 . 1 . . . . . 326 L N . 52080 1 1334 . 1 . 1 167 167 PRO HA H 1 4.721 0.000 . 1 . . . . . 327 P HA . 52080 1 1335 . 1 . 1 167 167 PRO HB2 H 1 2.053 0.000 . 2 . . . . . 327 P QB . 52080 1 1336 . 1 . 1 167 167 PRO HB3 H 1 2.053 0.000 . 2 . . . . . 327 P QB . 52080 1 1337 . 1 . 1 167 167 PRO C C 13 175.026 0.004 . 1 . . . . . 327 P C . 52080 1 1338 . 1 . 1 167 167 PRO CA C 13 61.809 0.000 . 1 . . . . . 327 P CA . 52080 1 1339 . 1 . 1 167 167 PRO CB C 13 31.122 0.000 . 1 . . . . . 327 P CB . 52080 1 1340 . 1 . 1 167 167 PRO CG C 13 26.781 0.000 . 1 . . . . . 327 P CG . 52080 1 1341 . 1 . 1 168 168 PRO N N 15 133.339 0.035 . 1 . . . . . 328 P N . 52080 1 1342 . 1 . 1 169 169 ASP C C 13 176.102 0.007 . 1 . . . . . 329 D C . 52080 1 1343 . 1 . 1 170 170 PHE H H 1 7.878 0.000 . 1 . . . . . 330 F H . 52080 1 1344 . 1 . 1 170 170 PHE C C 13 175.135 0.001 . 1 . . . . . 330 F C . 52080 1 1345 . 1 . 1 170 170 PHE N N 15 120.707 0.019 . 1 . . . . . 330 F N . 52080 1 1346 . 1 . 1 171 171 GLU H H 1 7.926 0.002 . 1 . . . . . 331 E H . 52080 1 1347 . 1 . 1 171 171 GLU C C 13 174.959 0.000 . 1 . . . . . 331 E C . 52080 1 1348 . 1 . 1 171 171 GLU N N 15 124.135 0.018 . 1 . . . . . 331 E N . 52080 1 1349 . 1 . 1 172 172 LYS H H 1 7.912 0.000 . 1 . . . . . 332 K H . 52080 1 1350 . 1 . 1 172 172 LYS HA H 1 4.019 0.000 . 1 . . . . . 332 K HA . 52080 1 1351 . 1 . 1 172 172 LYS HB2 H 1 1.687 0.000 . 2 . . . . . 332 K QB . 52080 1 1352 . 1 . 1 172 172 LYS HB3 H 1 1.687 0.000 . 2 . . . . . 332 K QB . 52080 1 1353 . 1 . 1 172 172 LYS HG2 H 1 1.271 0.000 . 4 . . . . . 332 K QG . 52080 1 1354 . 1 . 1 172 172 LYS HG3 H 1 1.271 0.000 . 2 . . . . . 332 K QG . 52080 1 1355 . 1 . 1 172 172 LYS HD2 H 1 1.495 0.000 . 4 . . . . . 332 K QD . 52080 1 1356 . 1 . 1 172 172 LYS HD3 H 1 1.495 0.000 . 2 . . . . . 332 K QD . 52080 1 1357 . 1 . 1 172 172 LYS HE2 H 1 2.891 0.000 . 2 . . . . . 332 K QE . 52080 1 1358 . 1 . 1 172 172 LYS HE3 H 1 2.891 0.000 . 2 . . . . . 332 K QE . 52080 1 1359 . 1 . 1 172 172 LYS C C 13 175.455 0.001 . 1 . . . . . 332 K C . 52080 1 1360 . 1 . 1 172 172 LYS CA C 13 56.431 0.000 . 1 . . . . . 332 K CA . 52080 1 1361 . 1 . 1 172 172 LYS CB C 13 33.080 0.000 . 1 . . . . . 332 K CB . 52080 1 1362 . 1 . 1 172 172 LYS CG C 13 24.540 0.000 . 1 . . . . . 332 K CG . 52080 1 1363 . 1 . 1 172 172 LYS N N 15 122.794 0.008 . 1 . . . . . 332 K N . 52080 1 1364 . 1 . 1 173 173 GLU H H 1 8.026 0.000 . 1 . . . . . 333 E H . 52080 1 1365 . 1 . 1 173 173 GLU N N 15 127.860 0.030 . 1 . . . . . 333 E N . 52080 1 stop_ save_