data_27412 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27412 _Entry.Title ; dASCIZ LC8 binding domain (residues 241-388) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-02-27 _Entry.Accession_date 2018-02-27 _Entry.Last_release_date 2018-02-27 _Entry.Original_release_date 2018-02-27 _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 'Intrinsically disordered dynein light chain 8 binding domain from Drosophila ASCIZ (ATM-Substrate Chk-Interacting Zn2+ finger)' _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 Sarah Clark . A. . . 27412 2 Elisar Barbar . J. . . 27412 3 Radovan Fiala . . . . 27412 4 Jiri Novacek . . . . 27412 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27412 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 362 27412 '15N chemical shifts' 133 27412 '1H chemical shifts' 468 27412 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 . . 2022-04-04 2018-02-27 update BMRB 'update Polymer_type' 27412 1 . . 2018-03-02 2018-02-27 original author 'original release' 27412 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27412 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Assigned Chemical Shifts for dASCIZ LC8 Binding Domain (241-388) ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sarah Clark . . . . 27412 1 2 Radovan Fiala . . . . 27412 1 3 Jiri Novacek . . . . 27412 1 4 Elisar Barbar . . . . 27412 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ASCIZ 27412 1 ATMIN 27412 1 'Dynein light chain' 27412 1 'Intrinsically Disordered Protein' 27412 1 LC8 27412 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27412 _Assembly.ID 1 _Assembly.Name 'dASCIZ LC8 binding domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17117.5 _Assembly.Enzyme_commission_number . _Assembly.Details 'Binding domain of dASCIZ with 7 recognition motifs for dynein light chain 8 (LC8)' _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 dASCIZ 1 $dASCIZ A . yes native no no . . . 27412 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA damage repair' 27412 1 'Transcription factor' 27412 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dASCIZ _Entity.Sf_category entity _Entity.Sf_framecode dASCIZ _Entity.Entry_ID 27412 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name dASCIZ _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 ; MDVSYALEMSSQKLDMETQT EEDDLNEIRNEVLAPLLRDI ETQTPDTRGDIGTMTDDFPE EQEPVAVGSHFHAYSETEPM FDLQTSAHMYTQTCDDLFEE LGLSHIQTQTHWPDGLYNTQ HTQTCDEIMDELFPDNFQST CTQTRWLD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17117.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA damage repair' 27412 1 'Transcription factor' 27412 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 1 241 MET . 27412 1 2 242 ASP . 27412 1 3 243 VAL . 27412 1 4 244 SER . 27412 1 5 245 TYR . 27412 1 6 246 ALA . 27412 1 7 247 LEU . 27412 1 8 248 GLU . 27412 1 9 249 MET . 27412 1 10 250 SER . 27412 1 11 251 SER . 27412 1 12 252 GLN . 27412 1 13 253 LYS . 27412 1 14 254 LEU . 27412 1 15 255 ASP . 27412 1 16 256 MET . 27412 1 17 257 GLU . 27412 1 18 258 THR . 27412 1 19 259 GLN . 27412 1 20 260 THR . 27412 1 21 261 GLU . 27412 1 22 262 GLU . 27412 1 23 263 ASP . 27412 1 24 264 ASP . 27412 1 25 265 LEU . 27412 1 26 266 ASN . 27412 1 27 267 GLU . 27412 1 28 268 ILE . 27412 1 29 269 ARG . 27412 1 30 270 ASN . 27412 1 31 271 GLU . 27412 1 32 272 VAL . 27412 1 33 273 LEU . 27412 1 34 274 ALA . 27412 1 35 275 PRO . 27412 1 36 276 LEU . 27412 1 37 277 LEU . 27412 1 38 278 ARG . 27412 1 39 279 ASP . 27412 1 40 280 ILE . 27412 1 41 281 GLU . 27412 1 42 282 THR . 27412 1 43 283 GLN . 27412 1 44 284 THR . 27412 1 45 285 PRO . 27412 1 46 286 ASP . 27412 1 47 287 THR . 27412 1 48 288 ARG . 27412 1 49 289 GLY . 27412 1 50 290 ASP . 27412 1 51 291 ILE . 27412 1 52 292 GLY . 27412 1 53 293 THR . 27412 1 54 294 MET . 27412 1 55 295 THR . 27412 1 56 296 ASP . 27412 1 57 297 ASP . 27412 1 58 298 PHE . 27412 1 59 299 PRO . 27412 1 60 300 GLU . 27412 1 61 301 GLU . 27412 1 62 302 GLN . 27412 1 63 303 GLU . 27412 1 64 304 PRO . 27412 1 65 305 VAL . 27412 1 66 306 ALA . 27412 1 67 307 VAL . 27412 1 68 308 GLY . 27412 1 69 309 SER . 27412 1 70 310 HIS . 27412 1 71 311 PHE . 27412 1 72 312 HIS . 27412 1 73 313 ALA . 27412 1 74 314 TYR . 27412 1 75 315 SER . 27412 1 76 316 GLU . 27412 1 77 317 THR . 27412 1 78 318 GLU . 27412 1 79 319 PRO . 27412 1 80 320 MET . 27412 1 81 321 PHE . 27412 1 82 322 ASP . 27412 1 83 323 LEU . 27412 1 84 324 GLN . 27412 1 85 325 THR . 27412 1 86 326 SER . 27412 1 87 327 ALA . 27412 1 88 328 HIS . 27412 1 89 329 MET . 27412 1 90 330 TYR . 27412 1 91 331 THR . 27412 1 92 332 GLN . 27412 1 93 333 THR . 27412 1 94 334 CYS . 27412 1 95 335 ASP . 27412 1 96 336 ASP . 27412 1 97 337 LEU . 27412 1 98 338 PHE . 27412 1 99 339 GLU . 27412 1 100 340 GLU . 27412 1 101 341 LEU . 27412 1 102 342 GLY . 27412 1 103 343 LEU . 27412 1 104 344 SER . 27412 1 105 345 HIS . 27412 1 106 346 ILE . 27412 1 107 347 GLN . 27412 1 108 348 THR . 27412 1 109 349 GLN . 27412 1 110 350 THR . 27412 1 111 351 HIS . 27412 1 112 352 TRP . 27412 1 113 353 PRO . 27412 1 114 354 ASP . 27412 1 115 355 GLY . 27412 1 116 356 LEU . 27412 1 117 357 TYR . 27412 1 118 358 ASN . 27412 1 119 359 THR . 27412 1 120 360 GLN . 27412 1 121 361 HIS . 27412 1 122 362 THR . 27412 1 123 363 GLN . 27412 1 124 364 THR . 27412 1 125 365 CYS . 27412 1 126 366 ASP . 27412 1 127 367 GLU . 27412 1 128 368 ILE . 27412 1 129 369 MET . 27412 1 130 370 ASP . 27412 1 131 371 GLU . 27412 1 132 372 LEU . 27412 1 133 373 PHE . 27412 1 134 374 PRO . 27412 1 135 375 ASP . 27412 1 136 376 ASN . 27412 1 137 377 PHE . 27412 1 138 378 GLN . 27412 1 139 379 SER . 27412 1 140 380 THR . 27412 1 141 381 CYS . 27412 1 142 382 THR . 27412 1 143 383 GLN . 27412 1 144 384 THR . 27412 1 145 385 ARG . 27412 1 146 386 TRP . 27412 1 147 387 LEU . 27412 1 148 388 ASP . 27412 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27412 1 . ASP 2 2 27412 1 . VAL 3 3 27412 1 . SER 4 4 27412 1 . TYR 5 5 27412 1 . ALA 6 6 27412 1 . LEU 7 7 27412 1 . GLU 8 8 27412 1 . MET 9 9 27412 1 . SER 10 10 27412 1 . SER 11 11 27412 1 . GLN 12 12 27412 1 . LYS 13 13 27412 1 . LEU 14 14 27412 1 . ASP 15 15 27412 1 . MET 16 16 27412 1 . GLU 17 17 27412 1 . THR 18 18 27412 1 . GLN 19 19 27412 1 . THR 20 20 27412 1 . GLU 21 21 27412 1 . GLU 22 22 27412 1 . ASP 23 23 27412 1 . ASP 24 24 27412 1 . LEU 25 25 27412 1 . ASN 26 26 27412 1 . GLU 27 27 27412 1 . ILE 28 28 27412 1 . ARG 29 29 27412 1 . ASN 30 30 27412 1 . GLU 31 31 27412 1 . VAL 32 32 27412 1 . LEU 33 33 27412 1 . ALA 34 34 27412 1 . PRO 35 35 27412 1 . LEU 36 36 27412 1 . LEU 37 37 27412 1 . ARG 38 38 27412 1 . ASP 39 39 27412 1 . ILE 40 40 27412 1 . GLU 41 41 27412 1 . THR 42 42 27412 1 . GLN 43 43 27412 1 . THR 44 44 27412 1 . PRO 45 45 27412 1 . ASP 46 46 27412 1 . THR 47 47 27412 1 . ARG 48 48 27412 1 . GLY 49 49 27412 1 . ASP 50 50 27412 1 . ILE 51 51 27412 1 . GLY 52 52 27412 1 . THR 53 53 27412 1 . MET 54 54 27412 1 . THR 55 55 27412 1 . ASP 56 56 27412 1 . ASP 57 57 27412 1 . PHE 58 58 27412 1 . PRO 59 59 27412 1 . GLU 60 60 27412 1 . GLU 61 61 27412 1 . GLN 62 62 27412 1 . GLU 63 63 27412 1 . PRO 64 64 27412 1 . VAL 65 65 27412 1 . ALA 66 66 27412 1 . VAL 67 67 27412 1 . GLY 68 68 27412 1 . SER 69 69 27412 1 . HIS 70 70 27412 1 . PHE 71 71 27412 1 . HIS 72 72 27412 1 . ALA 73 73 27412 1 . TYR 74 74 27412 1 . SER 75 75 27412 1 . GLU 76 76 27412 1 . THR 77 77 27412 1 . GLU 78 78 27412 1 . PRO 79 79 27412 1 . MET 80 80 27412 1 . PHE 81 81 27412 1 . ASP 82 82 27412 1 . LEU 83 83 27412 1 . GLN 84 84 27412 1 . THR 85 85 27412 1 . SER 86 86 27412 1 . ALA 87 87 27412 1 . HIS 88 88 27412 1 . MET 89 89 27412 1 . TYR 90 90 27412 1 . THR 91 91 27412 1 . GLN 92 92 27412 1 . THR 93 93 27412 1 . CYS 94 94 27412 1 . ASP 95 95 27412 1 . ASP 96 96 27412 1 . LEU 97 97 27412 1 . PHE 98 98 27412 1 . GLU 99 99 27412 1 . GLU 100 100 27412 1 . LEU 101 101 27412 1 . GLY 102 102 27412 1 . LEU 103 103 27412 1 . SER 104 104 27412 1 . HIS 105 105 27412 1 . ILE 106 106 27412 1 . GLN 107 107 27412 1 . THR 108 108 27412 1 . GLN 109 109 27412 1 . THR 110 110 27412 1 . HIS 111 111 27412 1 . TRP 112 112 27412 1 . PRO 113 113 27412 1 . ASP 114 114 27412 1 . GLY 115 115 27412 1 . LEU 116 116 27412 1 . TYR 117 117 27412 1 . ASN 118 118 27412 1 . THR 119 119 27412 1 . GLN 120 120 27412 1 . HIS 121 121 27412 1 . THR 122 122 27412 1 . GLN 123 123 27412 1 . THR 124 124 27412 1 . CYS 125 125 27412 1 . ASP 126 126 27412 1 . GLU 127 127 27412 1 . ILE 128 128 27412 1 . MET 129 129 27412 1 . ASP 130 130 27412 1 . GLU 131 131 27412 1 . LEU 132 132 27412 1 . PHE 133 133 27412 1 . PRO 134 134 27412 1 . ASP 135 135 27412 1 . ASN 136 136 27412 1 . PHE 137 137 27412 1 . GLN 138 138 27412 1 . SER 139 139 27412 1 . THR 140 140 27412 1 . CYS 141 141 27412 1 . THR 142 142 27412 1 . GLN 143 143 27412 1 . THR 144 144 27412 1 . ARG 145 145 27412 1 . TRP 146 146 27412 1 . LEU 147 147 27412 1 . ASP 148 148 27412 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27412 _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 $dASCIZ . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 27412 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27412 _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 $dASCIZ . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta DE3' . . . . . pET2Zt2 . . . 27412 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27412 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 dASCIZ '[U-100% 13C; U-100% 15N]' . . 1 $dASCIZ . . 0.3 . . mM . . . . 27412 1 2 beta-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 27412 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27412 1 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 27412 1 5 DSS 'natural abundance' . . . . . . 0.01 . . mM . . . . 27412 1 6 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 27412 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 27412 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 27412 1 pH 6.5 . pH 27412 1 pressure 1 . atm 27412 1 temperature 283.15 . K 27412 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27412 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27412 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 27412 1 processing . 27412 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27412 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27412 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27412 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27412 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27412 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27412 3 'data analysis' . 27412 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27412 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27412 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27412 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 27412 1 2 spectrometer_2 Bruker Avance . 800 . . . 27412 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27412 _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 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27412 1 2 '5D HN(CA)CoNH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27412 1 3 '5D HabCabCONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27412 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27412 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27412 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27412 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25 . . . . . 27412 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 27412 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10 . . . . . 27412 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27412 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27412 1 2 '5D HN(CA)CoNH' . . . 27412 1 3 '5D HabCabCONH' . . . 27412 1 4 '3D HNCO' . . . 27412 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET H H 1 8.612 . . 1 . . . . . 241 M H . 27412 1 2 . 1 . 1 1 1 MET HA H 1 4.489 . . 1 . . . . . 241 M HA . 27412 1 3 . 1 . 1 1 1 MET HB2 H 1 2.097 . . 1 . . . . . 241 M HB1 . 27412 1 4 . 1 . 1 1 1 MET HB3 H 1 1.99 . . 1 . . . . . 241 M HB2 . 27412 1 5 . 1 . 1 1 1 MET C C 13 176.124 . . 1 . . . . . 241 M C . 27412 1 6 . 1 . 1 1 1 MET CA C 13 55.357 . . 1 . . . . . 241 M CA . 27412 1 7 . 1 . 1 1 1 MET CB C 13 32.45 . . 1 . . . . . 241 M CB . 27412 1 8 . 1 . 1 1 1 MET N N 15 118.163 . . 1 . . . . . 241 M N . 27412 1 9 . 1 . 1 2 2 ASP H H 1 8.193 . . 1 . . . . . 242 D H . 27412 1 10 . 1 . 1 2 2 ASP HA H 1 4.595 . . 1 . . . . . 242 D HA . 27412 1 11 . 1 . 1 2 2 ASP HB2 H 1 2.675 . . 1 . . . . . 242 D HB . 27412 1 12 . 1 . 1 2 2 ASP HB3 H 1 2.675 . . 1 . . . . . 242 D HB . 27412 1 13 . 1 . 1 2 2 ASP C C 13 176.432 . . 1 . . . . . 242 D C . 27412 1 14 . 1 . 1 2 2 ASP CA C 13 54.702 . . 1 . . . . . 242 D CA . 27412 1 15 . 1 . 1 2 2 ASP CB C 13 41.196 . . 1 . . . . . 242 D CB . 27412 1 16 . 1 . 1 2 2 ASP N N 15 121.658 . . 1 . . . . . 242 D N . 27412 1 17 . 1 . 1 3 3 VAL H H 1 8.159 . . 1 . . . . . 243 V H . 27412 1 18 . 1 . 1 3 3 VAL HA H 1 4.084 . . 1 . . . . . 243 V HA . 27412 1 19 . 1 . 1 3 3 VAL HB H 1 2.061 . . 1 . . . . . 243 V HB . 27412 1 20 . 1 . 1 3 3 VAL C C 13 176.311 . . 1 . . . . . 243 V C . 27412 1 21 . 1 . 1 3 3 VAL CA C 13 62.657 . . 1 . . . . . 243 V CA . 27412 1 22 . 1 . 1 3 3 VAL N N 15 120.511 . . 1 . . . . . 243 V N . 27412 1 23 . 1 . 1 4 4 SER H H 1 8.383 . . 1 . . . . . 244 S H . 27412 1 24 . 1 . 1 4 4 SER HA H 1 4.37 . . 1 . . . . . 244 S HA . 27412 1 25 . 1 . 1 4 4 SER HB2 H 1 3.808 . . 1 . . . . . 244 S HB . 27412 1 26 . 1 . 1 4 4 SER HB3 H 1 3.808 . . 1 . . . . . 244 S HB . 27412 1 27 . 1 . 1 4 4 SER C C 13 174.595 . . 1 . . . . . 244 S C . 27412 1 28 . 1 . 1 4 4 SER CA C 13 58.772 . . 1 . . . . . 244 S CA . 27412 1 29 . 1 . 1 4 4 SER CB C 13 63.667 . . 1 . . . . . 244 S CB . 27412 1 30 . 1 . 1 4 4 SER N N 15 118.805 . . 1 . . . . . 244 S N . 27412 1 31 . 1 . 1 5 5 TYR H H 1 8.2 . . 1 . . . . . 245 Y H . 27412 1 32 . 1 . 1 5 5 TYR C C 13 175.74 . . 1 . . . . . 245 Y C . 27412 1 33 . 1 . 1 5 5 TYR N N 15 122.969 . . 1 . . . . . 245 Y N . 27412 1 34 . 1 . 1 6 6 ALA H H 1 8.131 . . 1 . . . . . 246 A H . 27412 1 35 . 1 . 1 6 6 ALA HA H 1 4.216 . . 1 . . . . . 246 A HA . 27412 1 36 . 1 . 1 6 6 ALA HB1 H 1 1.348 . . 1 . . . . . 246 A HB . 27412 1 37 . 1 . 1 6 6 ALA HB2 H 1 1.348 . . 1 . . . . . 246 A HB . 27412 1 38 . 1 . 1 6 6 ALA HB3 H 1 1.348 . . 1 . . . . . 246 A HB . 27412 1 39 . 1 . 1 6 6 ALA C C 13 177.97 . . 1 . . . . . 246 A C . 27412 1 40 . 1 . 1 6 6 ALA CA C 13 52.892 . . 1 . . . . . 246 A CA . 27412 1 41 . 1 . 1 6 6 ALA CB C 13 19.117 . . 1 . . . . . 246 A CB . 27412 1 42 . 1 . 1 6 6 ALA N N 15 124.608 . . 1 . . . . . 246 A N . 27412 1 43 . 1 . 1 7 7 LEU H H 1 8.121 . . 1 . . . . . 247 L H . 27412 1 44 . 1 . 1 7 7 LEU HA H 1 4.257 . . 1 . . . . . 247 L HA . 27412 1 45 . 1 . 1 7 7 LEU HB2 H 1 1.613 . . 1 . . . . . 247 L HB . 27412 1 46 . 1 . 1 7 7 LEU HB3 H 1 1.613 . . 1 . . . . . 247 L HB . 27412 1 47 . 1 . 1 7 7 LEU C C 13 177.947 . . 1 . . . . . 247 L C . 27412 1 48 . 1 . 1 7 7 LEU CA C 13 55.736 . . 1 . . . . . 247 L CA . 27412 1 49 . 1 . 1 7 7 LEU CB C 13 42.301 . . 1 . . . . . 247 L CB . 27412 1 50 . 1 . 1 7 7 LEU N N 15 121.142 . . 1 . . . . . 247 L N . 27412 1 51 . 1 . 1 8 8 GLU H H 1 8.391 . . 1 . . . . . 248 E H . 27412 1 52 . 1 . 1 8 8 GLU N N 15 121.643 . . 1 . . . . . 248 E N . 27412 1 53 . 1 . 1 9 9 MET H H 1 8.399 . . 1 . . . . . 249 M H . 27412 1 54 . 1 . 1 9 9 MET HA H 1 4.467 . . 1 . . . . . 249 M HA . 27412 1 55 . 1 . 1 9 9 MET HB2 H 1 2.054 . . 1 . . . . . 249 M HB . 27412 1 56 . 1 . 1 9 9 MET HB3 H 1 2.054 . . 1 . . . . . 249 M HB . 27412 1 57 . 1 . 1 9 9 MET C C 13 176.868 . . 1 . . . . . 249 M CO . 27412 1 58 . 1 . 1 9 9 MET CA C 13 55.816 . . 1 . . . . . 249 M CA . 27412 1 59 . 1 . 1 9 9 MET CB C 13 32.732 . . 1 . . . . . 249 M CB . 27412 1 60 . 1 . 1 9 9 MET N N 15 121.062 . . 1 . . . . . 249 M N . 27412 1 61 . 1 . 1 10 10 SER H H 1 8.362 . . 1 . . . . . 250 S H . 27412 1 62 . 1 . 1 10 10 SER HA H 1 4.436 . . 1 . . . . . 250 S HA . 27412 1 63 . 1 . 1 10 10 SER HB2 H 1 3.915 . . 1 . . . . . 250 S HB . 27412 1 64 . 1 . 1 10 10 SER HB3 H 1 3.915 . . 1 . . . . . 250 S HB . 27412 1 65 . 1 . 1 10 10 SER C C 13 174.957 . . 1 . . . . . 250 S C . 27412 1 66 . 1 . 1 10 10 SER CA C 13 58.953 . . 1 . . . . . 250 S CA . 27412 1 67 . 1 . 1 10 10 SER CB C 13 63.704 . . 1 . . . . . 250 S CB . 27412 1 68 . 1 . 1 10 10 SER N N 15 116.765 . . 1 . . . . . 250 S N . 27412 1 69 . 1 . 1 11 11 SER H H 1 8.366 . . 1 . . . . . 251 S H . 27412 1 70 . 1 . 1 11 11 SER HA H 1 4.44 . . 1 . . . . . 251 S HA . 27412 1 71 . 1 . 1 11 11 SER HB2 H 1 3.894 . . 1 . . . . . 251 S HB . 27412 1 72 . 1 . 1 11 11 SER HB3 H 1 3.894 . . 1 . . . . . 251 S HB . 27412 1 73 . 1 . 1 11 11 SER C C 13 174.575 . . 1 . . . . . 251 S C . 27412 1 74 . 1 . 1 11 11 SER CA C 13 58.821 . . 1 . . . . . 251 S CA . 27412 1 75 . 1 . 1 11 11 SER CB C 13 63.735 . . 1 . . . . . 251 S CB . 27412 1 76 . 1 . 1 11 11 SER N N 15 117.777 . . 1 . . . . . 251 S N . 27412 1 77 . 1 . 1 12 12 GLN H H 1 8.304 . . 1 . . . . . 252 Q H . 27412 1 78 . 1 . 1 12 12 GLN HA H 1 4.299 . . 1 . . . . . 252 Q HA . 27412 1 79 . 1 . 1 12 12 GLN HB2 H 1 2.032 . . 1 . . . . . 252 Q HB1 . 27412 1 80 . 1 . 1 12 12 GLN CA C 13 56.099 . . 1 . . . . . 252 Q CA . 27412 1 81 . 1 . 1 12 12 GLN CB C 13 29.431 . . 1 . . . . . 252 Q CB . 27412 1 82 . 1 . 1 12 12 GLN N N 15 122.055 . . 1 . . . . . 252 Q N . 27412 1 83 . 1 . 1 13 13 LYS H H 1 8.355 . . 1 . . . . . 253 K H . 27412 1 84 . 1 . 1 13 13 LYS HA H 1 4.291 . . 1 . . . . . 253 K HA . 27412 1 85 . 1 . 1 13 13 LYS HB2 H 1 1.797 . . 1 . . . . . 253 K HB . 27412 1 86 . 1 . 1 13 13 LYS HB3 H 1 1.797 . . 1 . . . . . 253 K HB . 27412 1 87 . 1 . 1 13 13 LYS C C 13 176.491 . . 1 . . . . . 253 K C . 27412 1 88 . 1 . 1 13 13 LYS CA C 13 56.418 . . 1 . . . . . 253 K CA . 27412 1 89 . 1 . 1 13 13 LYS CB C 13 32.959 . . 1 . . . . . 253 K CB . 27412 1 90 . 1 . 1 13 13 LYS N N 15 123.066 . . 1 . . . . . 253 K N . 27412 1 91 . 1 . 1 14 14 LEU H H 1 8.10 . . 1 . . . . . 254 L H . 27412 1 92 . 1 . 1 14 14 LEU HA H 1 4.338 . . 1 . . . . . 254 L HA . 27412 1 93 . 1 . 1 14 14 LEU HB2 H 1 1.609 . . 1 . . . . . 254 L HB . 27412 1 94 . 1 . 1 14 14 LEU HB3 H 1 1.609 . . 1 . . . . . 254 L HB . 27412 1 95 . 1 . 1 14 14 LEU C C 13 177.188 . . 1 . . . . . 254 L C . 27412 1 96 . 1 . 1 14 14 LEU CA C 13 55.211 . . 1 . . . . . 254 L CA . 27412 1 97 . 1 . 1 14 14 LEU CB C 13 42.473 . . 1 . . . . . 254 L CB . 27412 1 98 . 1 . 1 14 14 LEU N N 15 123.99 . . 1 . . . . . 254 L N . 27412 1 99 . 1 . 1 15 15 ASP H H 1 8.414 . . 1 . . . . . 255 D H . 27412 1 100 . 1 . 1 15 15 ASP HA H 1 4.569 . . 1 . . . . . 255 D HA . 27412 1 101 . 1 . 1 15 15 ASP HB2 H 1 2.709 . . 1 . . . . . 255 D HB1 . 27412 1 102 . 1 . 1 15 15 ASP HB3 H 1 2.598 . . 1 . . . . . 255 D HB2 . 27412 1 103 . 1 . 1 15 15 ASP C C 13 176.26 . . 1 . . . . . 255 D C . 27412 1 104 . 1 . 1 15 15 ASP CA C 13 54.5 . . 1 . . . . . 255 D CA . 27412 1 105 . 1 . 1 15 15 ASP CB C 13 40.947 . . 1 . . . . . 255 D CB . 27412 1 106 . 1 . 1 15 15 ASP N N 15 121.145 . . 1 . . . . . 255 D N . 27412 1 107 . 1 . 1 16 16 MET H H 1 8.328 . . 1 . . . . . 256 M H . 27412 1 108 . 1 . 1 16 16 MET HA H 1 4.462 . . 1 . . . . . 256 M HA . 27412 1 109 . 1 . 1 16 16 MET HB2 H 1 2.113 . . 1 . . . . . 256 M HB1 . 27412 1 110 . 1 . 1 16 16 MET HB3 H 1 1.998 . . 1 . . . . . 256 M HB2 . 27412 1 111 . 1 . 1 16 16 MET C C 13 176.509 . . 1 . . . . . 256 M C . 27412 1 112 . 1 . 1 16 16 MET CA C 13 55.612 . . 1 . . . . . 256 M CA . 27412 1 113 . 1 . 1 16 16 MET CB C 13 32.937 . . 1 . . . . . 256 M CB . 27412 1 114 . 1 . 1 16 16 MET N N 15 120.44 . . 1 . . . . . 256 M N . 27412 1 115 . 1 . 1 17 17 GLU H H 1 8.535 . . 1 . . . . . 257 E H . 27412 1 116 . 1 . 1 17 17 GLU HA H 1 4.313 . . 1 . . . . . 257 E HA . 27412 1 117 . 1 . 1 17 17 GLU HB2 H 1 2.066 . . 1 . . . . . 257 E HB1 . 27412 1 118 . 1 . 1 17 17 GLU HB3 H 1 1.993 . . 1 . . . . . 257 E HB2 . 27412 1 119 . 1 . 1 17 17 GLU C C 13 176.807 . . 1 . . . . . 257 E C . 27412 1 120 . 1 . 1 17 17 GLU CA C 13 56.902 . . 1 . . . . . 257 E CA . 27412 1 121 . 1 . 1 17 17 GLU CB C 13 30.254 . . 1 . . . . . 257 E CB . 27412 1 122 . 1 . 1 17 17 GLU N N 15 121.88 . . 1 . . . . . 257 E N . 27412 1 123 . 1 . 1 18 18 THR H H 1 8.247 . . 1 . . . . . 258 T H . 27412 1 124 . 1 . 1 18 18 THR HA H 1 4.299 . . 1 . . . . . 258 T HA . 27412 1 125 . 1 . 1 18 18 THR HB H 1 4.168 . . 1 . . . . . 258 T HB . 27412 1 126 . 1 . 1 18 18 THR C C 13 174.425 . . 1 . . . . . 258 T C . 27412 1 127 . 1 . 1 18 18 THR CA C 13 62.138 . . 1 . . . . . 258 T CA . 27412 1 128 . 1 . 1 18 18 THR CB C 13 69.888 . . 1 . . . . . 258 T CB . 27412 1 129 . 1 . 1 18 18 THR N N 15 115.734 . . 1 . . . . . 258 T N . 27412 1 130 . 1 . 1 19 19 GLN H H 1 8.559 . . 1 . . . . . 259 Q H . 27412 1 131 . 1 . 1 19 19 GLN HA H 1 4.45 . . 1 . . . . . 259 Q HA . 27412 1 132 . 1 . 1 19 19 GLN HB2 H 1 2.133 . . 1 . . . . . 259 Q HB1 . 27412 1 133 . 1 . 1 19 19 GLN HB3 H 1 2.011 . . 1 . . . . . 259 Q HB2 . 27412 1 134 . 1 . 1 19 19 GLN C C 13 176.009 . . 1 . . . . . 259 Q C . 27412 1 135 . 1 . 1 19 19 GLN CA C 13 55.765 . . 1 . . . . . 259 Q CA . 27412 1 136 . 1 . 1 19 19 GLN CB C 13 29.632 . . 1 . . . . . 259 Q CB . 27412 1 137 . 1 . 1 19 19 GLN N N 15 123.787 . . 1 . . . . . 259 Q N . 27412 1 138 . 1 . 1 20 20 THR H H 1 8.437 . . 1 . . . . . 260 T H . 27412 1 139 . 1 . 1 20 20 THR HA H 1 4.348 . . 1 . . . . . 260 T HA . 27412 1 140 . 1 . 1 20 20 THR HB H 1 4.211 . . 1 . . . . . 260 T HB . 27412 1 141 . 1 . 1 20 20 THR C C 13 174.56 . . 1 . . . . . 260 T C . 27412 1 142 . 1 . 1 20 20 THR CA C 13 61.944 . . 1 . . . . . 260 T CA . 27412 1 143 . 1 . 1 20 20 THR CB C 13 70.1 . . 1 . . . . . 260 T CB . 27412 1 144 . 1 . 1 20 20 THR N N 15 116.733 . . 1 . . . . . 260 T N . 27412 1 145 . 1 . 1 21 21 GLU H H 1 8.631 . . 1 . . . . . 261 E H . 27412 1 146 . 1 . 1 21 21 GLU HA H 1 4.321 . . 1 . . . . . 261 E HA . 27412 1 147 . 1 . 1 21 21 GLU HB2 H 1 2.067 . . 1 . . . . . 261 E HB1 . 27412 1 148 . 1 . 1 21 21 GLU HB3 H 1 1.933 . . 1 . . . . . 261 E HB2 . 27412 1 149 . 1 . 1 21 21 GLU C C 13 176.624 . . 1 . . . . . 261 E C . 27412 1 150 . 1 . 1 21 21 GLU CA C 13 56.635 . . 1 . . . . . 261 E CA . 27412 1 151 . 1 . 1 21 21 GLU CB C 13 30.385 . . 1 . . . . . 261 E CB . 27412 1 152 . 1 . 1 21 21 GLU N N 15 123.542 . . 1 . . . . . 261 E N . 27412 1 153 . 1 . 1 22 22 GLU H H 1 8.545 . . 1 . . . . . 262 E H . 27412 1 154 . 1 . 1 22 22 GLU HA H 1 4.242 . . 1 . . . . . 262 E HA . 27412 1 155 . 1 . 1 22 22 GLU HB2 H 1 2.037 . . 1 . . . . . 262 E HB1 . 27412 1 156 . 1 . 1 22 22 GLU HB3 H 1 1.91 . . 1 . . . . . 262 E HB2 . 27412 1 157 . 1 . 1 22 22 GLU C C 13 176.445 . . 1 . . . . . 262 E C . 27412 1 158 . 1 . 1 22 22 GLU CA C 13 56.742 . . 1 . . . . . 262 E CA . 27412 1 159 . 1 . 1 22 22 GLU CB C 13 30.428 . . 1 . . . . . 262 E CB . 27412 1 160 . 1 . 1 22 22 GLU N N 15 122.124 . . 1 . . . . . 262 E N . 27412 1 161 . 1 . 1 23 23 ASP H H 1 8.441 . . 1 . . . . . 263 D H . 27412 1 162 . 1 . 1 23 23 ASP HA H 1 4.546 . . 1 . . . . . 263 D HA . 27412 1 163 . 1 . 1 23 23 ASP HB2 H 1 2.629 . . 1 . . . . . 263 D HB . 27412 1 164 . 1 . 1 23 23 ASP HB3 H 1 2.629 . . 1 . . . . . 263 D HB . 27412 1 165 . 1 . 1 23 23 ASP C C 13 176.206 . . 1 . . . . . 263 D C . 27412 1 166 . 1 . 1 23 23 ASP CA C 13 54.792 . . 1 . . . . . 263 D CA . 27412 1 167 . 1 . 1 23 23 ASP CB C 13 41.306 . . 1 . . . . . 263 D CB . 27412 1 168 . 1 . 1 23 23 ASP N N 15 121.738 . . 1 . . . . . 263 D N . 27412 1 169 . 1 . 1 24 24 ASP H H 1 8.406 . . 1 . . . . . 264 D H . 27412 1 170 . 1 . 1 24 24 ASP HA H 1 4.552 . . 1 . . . . . 264 D HA . 27412 1 171 . 1 . 1 24 24 ASP HB2 H 1 2.66 . . 1 . . . . . 264 D HB . 27412 1 172 . 1 . 1 24 24 ASP HB3 H 1 2.66 . . 1 . . . . . 264 D HB . 27412 1 173 . 1 . 1 24 24 ASP C C 13 176.814 . . 1 . . . . . 264 D C . 27412 1 174 . 1 . 1 24 24 ASP CA C 13 54.597 . . 1 . . . . . 264 D CA . 27412 1 175 . 1 . 1 24 24 ASP CB C 13 40.975 . . 1 . . . . . 264 D CB . 27412 1 176 . 1 . 1 24 24 ASP N N 15 121.066 . . 1 . . . . . 264 D N . 27412 1 177 . 1 . 1 25 25 LEU H H 1 8.318 . . 1 . . . . . 265 L H . 27412 1 178 . 1 . 1 25 25 LEU HA H 1 4.256 . . 1 . . . . . 265 L HA . 27412 1 179 . 1 . 1 25 25 LEU HB2 H 1 1.692 . . 1 . . . . . 265 L HB1 . 27412 1 180 . 1 . 1 25 25 LEU HB3 H 1 1.58 . . 1 . . . . . 265 L HB2 . 27412 1 181 . 1 . 1 25 25 LEU C C 13 177.738 . . 1 . . . . . 265 L C . 27412 1 182 . 1 . 1 25 25 LEU CA C 13 55.787 . . 1 . . . . . 265 L CA . 27412 1 183 . 1 . 1 25 25 LEU CB C 13 41.893 . . 1 . . . . . 265 L CB . 27412 1 184 . 1 . 1 25 25 LEU N N 15 122.599 . . 1 . . . . . 265 L N . 27412 1 185 . 1 . 1 26 26 ASN H H 1 8.401 . . 1 . . . . . 266 N H . 27412 1 186 . 1 . 1 26 26 ASN HA H 1 4.612 . . 1 . . . . . 266 N HA . 27412 1 187 . 1 . 1 26 26 ASN HB2 H 1 2.784 . . 1 . . . . . 266 N HB . 27412 1 188 . 1 . 1 26 26 ASN HB3 H 1 2.784 . . 1 . . . . . 266 N HB . 27412 1 189 . 1 . 1 26 26 ASN C C 13 175.307 . . 1 . . . . . 266 N C . 27412 1 190 . 1 . 1 26 26 ASN CA C 13 53.866 . . 1 . . . . . 266 N CA . 27412 1 191 . 1 . 1 26 26 ASN CB C 13 39.022 . . 1 . . . . . 266 N CB . 27412 1 192 . 1 . 1 26 26 ASN N N 15 118.563 . . 1 . . . . . 266 N N . 27412 1 193 . 1 . 1 27 27 GLU H H 1 8.215 . . 1 . . . . . 267 E H . 27412 1 194 . 1 . 1 27 27 GLU HA H 1 4.225 . . 1 . . . . . 267 E HA . 27412 1 195 . 1 . 1 27 27 GLU HB2 H 1 2.008 . . 1 . . . . . 267 E HB1 . 27412 1 196 . 1 . 1 27 27 GLU HB3 H 1 1.951 . . 1 . . . . . 267 E HB2 . 27412 1 197 . 1 . 1 27 27 GLU C C 13 176.509 . . 1 . . . . . 267 E C . 27412 1 198 . 1 . 1 27 27 GLU CA C 13 56.821 . . 1 . . . . . 267 E CA . 27412 1 199 . 1 . 1 27 27 GLU CB C 13 30.361 . . 1 . . . . . 267 E CB . 27412 1 200 . 1 . 1 27 27 GLU N N 15 120.987 . . 1 . . . . . 267 E N . 27412 1 201 . 1 . 1 28 28 ILE H H 1 8.25 . . 1 . . . . . 268 I H . 27412 1 202 . 1 . 1 28 28 ILE C C 13 176.483 . . 1 . . . . . 268 I C . 27412 1 203 . 1 . 1 28 28 ILE N N 15 122.733 . . 1 . . . . . 268 I N . 27412 1 204 . 1 . 1 29 29 ARG H H 1 8.484 . . 1 . . . . . 269 R H . 27412 1 205 . 1 . 1 29 29 ARG HA H 1 4.351 . . 1 . . . . . 269 R HA . 27412 1 206 . 1 . 1 29 29 ARG HB2 H 1 1.796 . . 1 . . . . . 269 R HB . 27412 1 207 . 1 . 1 29 29 ARG HB3 H 1 1.796 . . 1 . . . . . 269 R HB . 27412 1 208 . 1 . 1 29 29 ARG C C 13 175.983 . . 1 . . . . . 269 R C . 27412 1 209 . 1 . 1 29 29 ARG CA C 13 56.04 . . 1 . . . . . 269 R CA . 27412 1 210 . 1 . 1 29 29 ARG CB C 13 30.933 . . 1 . . . . . 269 R CB . 27412 1 211 . 1 . 1 29 29 ARG N N 15 125.744 . . 1 . . . . . 269 R N . 27412 1 212 . 1 . 1 30 30 ASN H H 1 8.523 . . 1 . . . . . 270 N H . 27412 1 213 . 1 . 1 30 30 ASN HA H 1 4.676 . . 1 . . . . . 270 N HA . 27412 1 214 . 1 . 1 30 30 ASN HB2 H 1 2.789 . . 1 . . . . . 270 N HB1 . 27412 1 215 . 1 . 1 30 30 ASN HB3 H 1 2.718 . . 1 . . . . . 270 N HB2 . 27412 1 216 . 1 . 1 30 30 ASN C C 13 175.124 . . 1 . . . . . 270 N C . 27412 1 217 . 1 . 1 30 30 ASN CA C 13 53.4 . . 1 . . . . . 270 N CA . 27412 1 218 . 1 . 1 30 30 ASN CB C 13 39.056 . . 1 . . . . . 270 N CB . 27412 1 219 . 1 . 1 30 30 ASN N N 15 120.53 . . 1 . . . . . 270 N N . 27412 1 220 . 1 . 1 31 31 GLU H H 1 8.488 . . 1 . . . . . 271 E H . 27412 1 221 . 1 . 1 31 31 GLU HA H 1 4.264 . . 1 . . . . . 271 E HA . 27412 1 222 . 1 . 1 31 31 GLU HB2 H 1 2.009 . . 1 . . . . . 271 E HB1 . 27412 1 223 . 1 . 1 31 31 GLU HB3 H 1 1.919 . . 1 . . . . . 271 E HB2 . 27412 1 224 . 1 . 1 31 31 GLU C C 13 176.274 . . 1 . . . . . 271 E C . 27412 1 225 . 1 . 1 31 31 GLU CA C 13 56.687 . . 1 . . . . . 271 E CA . 27412 1 226 . 1 . 1 31 31 GLU CB C 13 30.41 . . 1 . . . . . 271 E CB . 27412 1 227 . 1 . 1 31 31 GLU N N 15 121.932 . . 1 . . . . . 271 E N . 27412 1 228 . 1 . 1 32 32 VAL H H 1 8.29 . . 1 . . . . . 272 V H . 27412 1 229 . 1 . 1 32 32 VAL C C 13 176.106 . . 1 . . . . . 272 V C . 27412 1 230 . 1 . 1 32 32 VAL N N 15 122.371 . . 1 . . . . . 272 V N . 27412 1 231 . 1 . 1 33 33 LEU C C 13 176.624 . . 1 . . . . . 273 L C . 27412 1 232 . 1 . 1 35 35 PRO HA H 1 4.36 . . 1 . . . . . 275 P HA . 27412 1 233 . 1 . 1 35 35 PRO HB2 H 1 2.268 . . 1 . . . . . 275 P HB1 . 27412 1 234 . 1 . 1 35 35 PRO HB3 H 1 1.844 . . 1 . . . . . 275 P HB2 . 27412 1 235 . 1 . 1 35 35 PRO C C 13 176.829 . . 1 . . . . . 275 P C . 27412 1 236 . 1 . 1 35 35 PRO CA C 13 63.072 . . 1 . . . . . 275 P CA . 27412 1 237 . 1 . 1 35 35 PRO CB C 13 32.128 . . 1 . . . . . 275 P CB . 27412 1 238 . 1 . 1 36 36 LEU H H 1 8.386 . . 1 . . . . . 276 L H . 27412 1 239 . 1 . 1 36 36 LEU HA H 1 4.284 . . 1 . . . . . 276 L HA . 27412 1 240 . 1 . 1 36 36 LEU HB2 H 1 1.581 . . 1 . . . . . 276 L HB . 27412 1 241 . 1 . 1 36 36 LEU HB3 H 1 1.581 . . 1 . . . . . 276 L HB . 27412 1 242 . 1 . 1 36 36 LEU C C 13 177.445 . . 1 . . . . . 276 L C . 27412 1 243 . 1 . 1 36 36 LEU CA C 13 55.216 . . 1 . . . . . 276 L CA . 27412 1 244 . 1 . 1 36 36 LEU CB C 13 42.237 . . 1 . . . . . 276 L CB . 27412 1 245 . 1 . 1 36 36 LEU N N 15 122.273 . . 1 . . . . . 276 L N . 27412 1 246 . 1 . 1 37 37 LEU H H 1 8.312 . . 1 . . . . . 277 L H . 27412 1 247 . 1 . 1 37 37 LEU HA H 1 4.351 . . 1 . . . . . 277 L HA . 27412 1 248 . 1 . 1 37 37 LEU HB2 H 1 1.636 . . 1 . . . . . 277 L HB1 . 27412 1 249 . 1 . 1 37 37 LEU HB3 H 1 1.57 . . 1 . . . . . 277 L HB2 . 27412 1 250 . 1 . 1 37 37 LEU C C 13 177.15 . . 1 . . . . . 277 L C . 27412 1 251 . 1 . 1 37 37 LEU CA C 13 55.118 . . 1 . . . . . 277 L CA . 27412 1 252 . 1 . 1 37 37 LEU CB C 13 42.179 . . 1 . . . . . 277 L CB . 27412 1 253 . 1 . 1 37 37 LEU N N 15 123.753 . . 1 . . . . . 277 L N . 27412 1 254 . 1 . 1 38 38 ARG H H 1 7.307 . . 1 . . . . . 278 R H . 27412 1 255 . 1 . 1 38 38 ARG HB2 H 1 1.798 . . 1 . . . . . 278 R HB1 . 27412 1 256 . 1 . 1 38 38 ARG HB3 H 1 1.74 . . 1 . . . . . 278 R HB2 . 27412 1 257 . 1 . 1 38 38 ARG C C 13 175.906 . . 1 . . . . . 278 R C . 27412 1 258 . 1 . 1 38 38 ARG CB C 13 31.227 . . 1 . . . . . 278 R CB . 27412 1 259 . 1 . 1 38 38 ARG N N 15 121.8 . . 1 . . . . . 278 R N . 27412 1 260 . 1 . 1 39 39 ASP H H 1 8.424 . . 1 . . . . . 279 D H . 27412 1 261 . 1 . 1 39 39 ASP N N 15 121.776 . . 1 . . . . . 279 D N . 27412 1 262 . 1 . 1 42 42 THR H H 1 8.245 . . 1 . . . . . 282 T H . 27412 1 263 . 1 . 1 42 42 THR HA H 1 4.296 . . 1 . . . . . 282 T HA . 27412 1 264 . 1 . 1 42 42 THR HB H 1 4.183 . . 1 . . . . . 282 T HB . 27412 1 265 . 1 . 1 42 42 THR C C 13 174.457 . . 1 . . . . . 282 T C . 27412 1 266 . 1 . 1 42 42 THR CA C 13 62.097 . . 1 . . . . . 282 T CA . 27412 1 267 . 1 . 1 42 42 THR CB C 13 69.818 . . 1 . . . . . 282 T CB . 27412 1 268 . 1 . 1 42 42 THR N N 15 115.844 . . 1 . . . . . 282 T N . 27412 1 269 . 1 . 1 43 43 GLN H H 1 8.489 . . 1 . . . . . 283 Q H . 27412 1 270 . 1 . 1 43 43 GLN HA H 1 4.409 . . 1 . . . . . 283 Q HA . 27412 1 271 . 1 . 1 43 43 GLN HB2 H 1 2.092 . . 1 . . . . . 283 Q HB1 . 27412 1 272 . 1 . 1 43 43 GLN HB3 H 1 1.97 . . 1 . . . . . 283 Q HB2 . 27412 1 273 . 1 . 1 43 43 GLN C C 13 175.839 . . 1 . . . . . 283 Q C . 27412 1 274 . 1 . 1 43 43 GLN CA C 13 55.59 . . 1 . . . . . 283 Q CA . 27412 1 275 . 1 . 1 43 43 GLN CB C 13 29.648 . . 1 . . . . . 283 Q CB . 27412 1 276 . 1 . 1 43 43 GLN N N 15 123.405 . . 1 . . . . . 283 Q N . 27412 1 277 . 1 . 1 44 44 THR H H 1 8.457 . . 1 . . . . . 284 T H . 27412 1 278 . 1 . 1 44 44 THR N N 15 118.889 . . 1 . . . . . 284 T N . 27412 1 279 . 1 . 1 45 45 PRO HA H 1 4.396 . . 1 . . . . . 285 P HA . 27412 1 280 . 1 . 1 45 45 PRO HB2 H 1 2.293 . . 1 . . . . . 285 P HB1 . 27412 1 281 . 1 . 1 45 45 PRO HB3 H 1 1.896 . . 1 . . . . . 285 P HB2 . 27412 1 282 . 1 . 1 45 45 PRO C C 13 176.586 . . 1 . . . . . 285 P C . 27412 1 283 . 1 . 1 45 45 PRO CA C 13 63.437 . . 1 . . . . . 285 P CA . 27412 1 284 . 1 . 1 45 45 PRO CB C 13 32.233 . . 1 . . . . . 285 P CB . 27412 1 285 . 1 . 1 46 46 ASP H H 1 8.573 . . 1 . . . . . 286 D H . 27412 1 286 . 1 . 1 46 46 ASP HA H 1 4.625 . . 1 . . . . . 286 D HA . 27412 1 287 . 1 . 1 46 46 ASP HB2 H 1 2.747 . . 1 . . . . . 286 D HB1 . 27412 1 288 . 1 . 1 46 46 ASP HB3 H 1 2.636 . . 1 . . . . . 286 D HB2 . 27412 1 289 . 1 . 1 46 46 ASP C C 13 176.881 . . 1 . . . . . 286 D C . 27412 1 290 . 1 . 1 46 46 ASP CA C 13 54.368 . . 1 . . . . . 286 D CA . 27412 1 291 . 1 . 1 46 46 ASP CB C 13 41.152 . . 1 . . . . . 286 D CB . 27412 1 292 . 1 . 1 46 46 ASP N N 15 120.911 . . 1 . . . . . 286 D N . 27412 1 293 . 1 . 1 47 47 THR H H 1 8.246 . . 1 . . . . . 287 T H . 27412 1 294 . 1 . 1 47 47 THR HA H 1 4.334 . . 1 . . . . . 287 T HA . 27412 1 295 . 1 . 1 47 47 THR HB H 1 4.326 . . 1 . . . . . 287 T HB . 27412 1 296 . 1 . 1 47 47 THR C C 13 175.034 . . 1 . . . . . 287 T C . 27412 1 297 . 1 . 1 47 47 THR CA C 13 61.866 . . 1 . . . . . 287 T CA . 27412 1 298 . 1 . 1 47 47 THR CB C 13 69.573 . . 1 . . . . . 287 T CB . 27412 1 299 . 1 . 1 47 47 THR N N 15 115.204 . . 1 . . . . . 287 T N . 27412 1 300 . 1 . 1 48 48 ARG H H 1 8.399 . . 1 . . . . . 288 R H . 27412 1 301 . 1 . 1 48 48 ARG HA H 1 4.279 . . 1 . . . . . 288 R HA . 27412 1 302 . 1 . 1 48 48 ARG HB2 H 1 1.861 . . 1 . . . . . 288 R HB . 27412 1 303 . 1 . 1 48 48 ARG HB3 H 1 1.861 . . 1 . . . . . 288 R HB . 27412 1 304 . 1 . 1 48 48 ARG C C 13 177.052 . . 1 . . . . . 288 R C . 27412 1 305 . 1 . 1 48 48 ARG CA C 13 56.841 . . 1 . . . . . 288 R CA . 27412 1 306 . 1 . 1 48 48 ARG CB C 13 30.721 . . 1 . . . . . 288 R CB . 27412 1 307 . 1 . 1 48 48 ARG N N 15 123.243 . . 1 . . . . . 288 R N . 27412 1 308 . 1 . 1 49 49 GLY H H 1 8.442 . . 1 . . . . . 289 G H . 27412 1 309 . 1 . 1 49 49 GLY HA2 H 1 3.889 . . 1 . . . . . 289 G HA . 27412 1 310 . 1 . 1 49 49 GLY HA3 H 1 3.889 . . 1 . . . . . 289 G HA . 27412 1 311 . 1 . 1 49 49 GLY C C 13 173.793 . . 1 . . . . . 289 G C . 27412 1 312 . 1 . 1 49 49 GLY CA C 13 45.245 . . 1 . . . . . 289 G CA . 27412 1 313 . 1 . 1 49 49 GLY N N 15 109.291 . . 1 . . . . . 289 G N . 27412 1 314 . 1 . 1 50 50 ASP H H 1 8.327 . . 1 . . . . . 290 D H . 27412 1 315 . 1 . 1 50 50 ASP HA H 1 4.624 . . 1 . . . . . 290 D HA . 27412 1 316 . 1 . 1 50 50 ASP HB2 H 1 2.63 . . 1 . . . . . 290 D HB . 27412 1 317 . 1 . 1 50 50 ASP HB3 H 1 2.63 . . 1 . . . . . 290 D HB . 27412 1 318 . 1 . 1 50 50 ASP C C 13 176.586 . . 1 . . . . . 290 D C . 27412 1 319 . 1 . 1 50 50 ASP CA C 13 54.209 . . 1 . . . . . 290 D CA . 27412 1 320 . 1 . 1 50 50 ASP CB C 13 41.138 . . 1 . . . . . 290 D CB . 27412 1 321 . 1 . 1 50 50 ASP N N 15 120.555 . . 1 . . . . . 290 D N . 27412 1 322 . 1 . 1 51 51 ILE H H 1 8.192 . . 1 . . . . . 291 I H . 27412 1 323 . 1 . 1 51 51 ILE HA H 1 4.173 . . 1 . . . . . 291 I HA . 27412 1 324 . 1 . 1 51 51 ILE HB H 1 1.925 . . 1 . . . . . 291 I HB . 27412 1 325 . 1 . 1 51 51 ILE C C 13 176.996 . . 1 . . . . . 291 I C . 27412 1 326 . 1 . 1 51 51 ILE CA C 13 61.683 . . 1 . . . . . 291 I CA . 27412 1 327 . 1 . 1 51 51 ILE CB C 13 38.662 . . 1 . . . . . 291 I CB . 27412 1 328 . 1 . 1 51 51 ILE N N 15 120.966 . . 1 . . . . . 291 I N . 27412 1 329 . 1 . 1 52 52 GLY H H 1 8.575 . . 1 . . . . . 292 G H . 27412 1 330 . 1 . 1 52 52 GLY HA2 H 1 3.984 . . 1 . . . . . 292 G HA . 27412 1 331 . 1 . 1 52 52 GLY HA3 H 1 3.984 . . 1 . . . . . 292 G HA . 27412 1 332 . 1 . 1 52 52 GLY C C 13 174.316 . . 1 . . . . . 292 G C . 27412 1 333 . 1 . 1 52 52 GLY CA C 13 45.416 . . 1 . . . . . 292 G CA . 27412 1 334 . 1 . 1 52 52 GLY N N 15 112.481 . . 1 . . . . . 292 G N . 27412 1 335 . 1 . 1 53 53 THR H H 1 8.106 . . 1 . . . . . 293 T H . 27412 1 336 . 1 . 1 53 53 THR HA H 1 4.334 . . 1 . . . . . 293 T HA . 27412 1 337 . 1 . 1 53 53 THR HB H 1 4.211 . . 1 . . . . . 293 T HB . 27412 1 338 . 1 . 1 53 53 THR C C 13 174.714 . . 1 . . . . . 293 T C . 27412 1 339 . 1 . 1 53 53 THR CA C 13 61.951 . . 1 . . . . . 293 T CA . 27412 1 340 . 1 . 1 53 53 THR CB C 13 69.944 . . 1 . . . . . 293 T CB . 27412 1 341 . 1 . 1 53 53 THR N N 15 113.829 . . 1 . . . . . 293 T N . 27412 1 342 . 1 . 1 54 54 MET H H 1 8.544 . . 1 . . . . . 294 M H . 27412 1 343 . 1 . 1 54 54 MET HA H 1 4.576 . . 1 . . . . . 294 M HA . 27412 1 344 . 1 . 1 54 54 MET HB2 H 1 2.102 . . 1 . . . . . 294 M HB1 . 27412 1 345 . 1 . 1 54 54 MET HB3 H 1 2.054 . . 1 . . . . . 294 M HB2 . 27412 1 346 . 1 . 1 54 54 MET C C 13 176.342 . . 1 . . . . . 294 M C . 27412 1 347 . 1 . 1 54 54 MET CA C 13 55.603 . . 1 . . . . . 294 M CA . 27412 1 348 . 1 . 1 54 54 MET CB C 13 32.864 . . 1 . . . . . 294 M CB . 27412 1 349 . 1 . 1 54 54 MET N N 15 123.406 . . 1 . . . . . 294 M N . 27412 1 350 . 1 . 1 55 55 THR H H 1 8.265 . . 1 . . . . . 295 T H . 27412 1 351 . 1 . 1 55 55 THR HA H 1 4.333 . . 1 . . . . . 295 T HA . 27412 1 352 . 1 . 1 55 55 THR HB H 1 4.212 . . 1 . . . . . 295 T HB . 27412 1 353 . 1 . 1 55 55 THR C C 13 174.175 . . 1 . . . . . 295 T C . 27412 1 354 . 1 . 1 55 55 THR CA C 13 61.724 . . 1 . . . . . 295 T CA . 27412 1 355 . 1 . 1 55 55 THR CB C 13 69.96 . . 1 . . . . . 295 T CB . 27412 1 356 . 1 . 1 55 55 THR N N 15 115.438 . . 1 . . . . . 295 T N . 27412 1 357 . 1 . 1 56 56 ASP H H 1 8.362 . . 1 . . . . . 296 D H . 27412 1 358 . 1 . 1 56 56 ASP HA H 1 4.549 . . 1 . . . . . 296 D HA . 27412 1 359 . 1 . 1 56 56 ASP HB2 H 1 2.54 . . 1 . . . . . 296 D HB . 27412 1 360 . 1 . 1 56 56 ASP HB3 H 1 2.54 . . 1 . . . . . 296 D HB . 27412 1 361 . 1 . 1 56 56 ASP C C 13 175.517 . . 1 . . . . . 296 D C . 27412 1 362 . 1 . 1 56 56 ASP CA C 13 54.376 . . 1 . . . . . 296 D CA . 27412 1 363 . 1 . 1 56 56 ASP CB C 13 41.274 . . 1 . . . . . 296 D CB . 27412 1 364 . 1 . 1 56 56 ASP N N 15 122.695 . . 1 . . . . . 296 D N . 27412 1 365 . 1 . 1 57 57 ASP H H 1 8.202 . . 1 . . . . . 297 D H . 27412 1 366 . 1 . 1 57 57 ASP HA H 1 4.487 . . 1 . . . . . 297 D HA . 27412 1 367 . 1 . 1 57 57 ASP HB2 H 1 2.463 . . 1 . . . . . 297 D HB . 27412 1 368 . 1 . 1 57 57 ASP HB3 H 1 2.463 . . 1 . . . . . 297 D HB . 27412 1 369 . 1 . 1 57 57 ASP C C 13 175.419 . . 1 . . . . . 297 D C . 27412 1 370 . 1 . 1 57 57 ASP CA C 13 54.259 . . 1 . . . . . 297 D CA . 27412 1 371 . 1 . 1 57 57 ASP CB C 13 41.319 . . 1 . . . . . 297 D CB . 27412 1 372 . 1 . 1 57 57 ASP N N 15 120.486 . . 1 . . . . . 297 D N . 27412 1 373 . 1 . 1 58 58 PHE H H 1 8.253 . . 1 . . . . . 298 F H . 27412 1 374 . 1 . 1 58 58 PHE N N 15 121.388 . . 1 . . . . . 298 F N . 27412 1 375 . 1 . 1 59 59 PRO HA H 1 4.427 . . 1 . . . . . 299 P HA . 27412 1 376 . 1 . 1 59 59 PRO HB2 H 1 2.25 . . 1 . . . . . 299 P HB1 . 27412 1 377 . 1 . 1 59 59 PRO HB3 H 1 1.901 . . 1 . . . . . 299 P HB2 . 27412 1 378 . 1 . 1 59 59 PRO C C 13 176.943 . . 1 . . . . . 299 P C . 27412 1 379 . 1 . 1 59 59 PRO CA C 13 63.149 . . 1 . . . . . 299 P CA . 27412 1 380 . 1 . 1 59 59 PRO CB C 13 32.092 . . 1 . . . . . 299 P CB . 27412 1 381 . 1 . 1 60 60 GLU H H 1 8.599 . . 1 . . . . . 300 E H . 27412 1 382 . 1 . 1 60 60 GLU HA H 1 4.244 . . 1 . . . . . 300 E HA . 27412 1 383 . 1 . 1 60 60 GLU HB2 H 1 2.03 . . 1 . . . . . 300 E HB1 . 27412 1 384 . 1 . 1 60 60 GLU HB3 H 1 1.939 . . 1 . . . . . 300 E HB2 . 27412 1 385 . 1 . 1 60 60 GLU C C 13 176.714 . . 1 . . . . . 300 E C . 27412 1 386 . 1 . 1 60 60 GLU CA C 13 56.642 . . 1 . . . . . 300 E CA . 27412 1 387 . 1 . 1 60 60 GLU CB C 13 30.453 . . 1 . . . . . 300 E CB . 27412 1 388 . 1 . 1 60 60 GLU N N 15 121.576 . . 1 . . . . . 300 E N . 27412 1 389 . 1 . 1 61 61 GLU H H 1 8.58 . . 1 . . . . . 301 E H . 27412 1 390 . 1 . 1 61 61 GLU HA H 1 4.262 . . 1 . . . . . 301 E HA . 27412 1 391 . 1 . 1 61 61 GLU HB2 H 1 2.023 . . 1 . . . . . 301 E HB1 . 27412 1 392 . 1 . 1 61 61 GLU HB3 H 1 1.931 . . 1 . . . . . 301 E HB2 . 27412 1 393 . 1 . 1 61 61 GLU C C 13 176.317 . . 1 . . . . . 301 E C . 27412 1 394 . 1 . 1 61 61 GLU CA C 13 56.492 . . 1 . . . . . 301 E CA . 27412 1 395 . 1 . 1 61 61 GLU CB C 13 30.393 . . 1 . . . . . 301 E CB . 27412 1 396 . 1 . 1 61 61 GLU N N 15 122.618 . . 1 . . . . . 301 E N . 27412 1 397 . 1 . 1 62 62 GLN H H 1 8.506 . . 1 . . . . . 302 Q H . 27412 1 398 . 1 . 1 62 62 GLN HA H 1 4.328 . . 1 . . . . . 302 Q HA . 27412 1 399 . 1 . 1 62 62 GLN HB2 H 1 2.076 . . 1 . . . . . 302 Q HB1 . 27412 1 400 . 1 . 1 62 62 GLN HB3 H 1 1.928 . . 1 . . . . . 302 Q HB2 . 27412 1 401 . 1 . 1 62 62 GLN C C 13 175.778 . . 1 . . . . . 302 Q C . 27412 1 402 . 1 . 1 62 62 GLN CA C 13 55.413 . . 1 . . . . . 302 Q CA . 27412 1 403 . 1 . 1 62 62 GLN CB C 13 29.963 . . 1 . . . . . 302 Q CB . 27412 1 404 . 1 . 1 62 62 GLN N N 15 122.047 . . 1 . . . . . 302 Q N . 27412 1 405 . 1 . 1 63 63 GLU H H 1 8.583 . . 1 . . . . . 303 E H . 27412 1 406 . 1 . 1 63 63 GLU N N 15 124.211 . . 1 . . . . . 303 E N . 27412 1 407 . 1 . 1 64 64 PRO HA H 1 4.424 . . 1 . . . . . 304 P HA . 27412 1 408 . 1 . 1 64 64 PRO HB2 H 1 2.255 . . 1 . . . . . 304 P HB1 . 27412 1 409 . 1 . 1 64 64 PRO HB3 H 1 1.858 . . 1 . . . . . 304 P HB2 . 27412 1 410 . 1 . 1 64 64 PRO C C 13 176.886 . . 1 . . . . . 304 P C . 27412 1 411 . 1 . 1 64 64 PRO CA C 13 63.062 . . 1 . . . . . 304 P CA . 27412 1 412 . 1 . 1 64 64 PRO CB C 13 32.089 . . 1 . . . . . 304 P CB . 27412 1 413 . 1 . 1 65 65 VAL H H 1 8.303 . . 1 . . . . . 305 V H . 27412 1 414 . 1 . 1 65 65 VAL C C 13 176.044 . . 1 . . . . . 305 V C . 27412 1 415 . 1 . 1 65 65 VAL N N 15 121.085 . . 1 . . . . . 305 V N . 27412 1 416 . 1 . 1 66 66 ALA H H 1 8.493 . . 1 . . . . . 306 A H . 27412 1 417 . 1 . 1 66 66 ALA HA H 1 4.324 . . 1 . . . . . 306 A HA . 27412 1 418 . 1 . 1 66 66 ALA HB1 H 1 1.337 . . 1 . . . . . 306 A HB . 27412 1 419 . 1 . 1 66 66 ALA HB2 H 1 1.337 . . 1 . . . . . 306 A HB . 27412 1 420 . 1 . 1 66 66 ALA HB3 H 1 1.337 . . 1 . . . . . 306 A HB . 27412 1 421 . 1 . 1 66 66 ALA C C 13 177.78 . . 1 . . . . . 306 A C . 27412 1 422 . 1 . 1 66 66 ALA CA C 13 52.346 . . 1 . . . . . 306 A CA . 27412 1 423 . 1 . 1 66 66 ALA CB C 13 19.252 . . 1 . . . . . 306 A CB . 27412 1 424 . 1 . 1 66 66 ALA N N 15 128.635 . . 1 . . . . . 306 A N . 27412 1 425 . 1 . 1 67 67 VAL H H 1 8.296 . . 1 . . . . . 307 V H . 27412 1 426 . 1 . 1 67 67 VAL N N 15 120.607 . . 1 . . . . . 307 V N . 27412 1 427 . 1 . 1 68 68 GLY H H 1 8.579 . . 1 . . . . . 308 G H . 27412 1 428 . 1 . 1 68 68 GLY HA2 H 1 3.954 . . 1 . . . . . 308 G HA . 27412 1 429 . 1 . 1 68 68 GLY HA3 H 1 3.954 . . 1 . . . . . 308 G HA . 27412 1 430 . 1 . 1 68 68 GLY C C 13 174.209 . . 1 . . . . . 308 G C . 27412 1 431 . 1 . 1 68 68 GLY CA C 13 45.24 . . 1 . . . . . 308 G CA . 27412 1 432 . 1 . 1 68 68 GLY N N 15 112.65 . . 1 . . . . . 308 G N . 27412 1 433 . 1 . 1 69 69 SER H H 1 8.242 . . 1 . . . . . 309 S H . 27412 1 434 . 1 . 1 69 69 SER HA H 1 4.35 . . 1 . . . . . 309 S HA . 27412 1 435 . 1 . 1 69 69 SER HB2 H 1 3.765 . . 1 . . . . . 309 S HB . 27412 1 436 . 1 . 1 69 69 SER HB3 H 1 3.765 . . 1 . . . . . 309 S HB . 27412 1 437 . 1 . 1 69 69 SER C C 13 174.419 . . 1 . . . . . 309 S C . 27412 1 438 . 1 . 1 69 69 SER CA C 13 58.529 . . 1 . . . . . 309 S CA . 27412 1 439 . 1 . 1 69 69 SER CB C 13 63.888 . . 1 . . . . . 309 S CB . 27412 1 440 . 1 . 1 69 69 SER N N 15 115.561 . . 1 . . . . . 309 S N . 27412 1 441 . 1 . 1 70 70 HIS H H 1 8.474 . . 1 . . . . . 310 H H . 27412 1 442 . 1 . 1 70 70 HIS HA H 1 4.613 . . 1 . . . . . 310 H HA . 27412 1 443 . 1 . 1 70 70 HIS HB2 H 1 3.09 . . 1 . . . . . 310 H HB1 . 27412 1 444 . 1 . 1 70 70 HIS HB3 H 1 2.999 . . 1 . . . . . 310 H HB2 . 27412 1 445 . 1 . 1 70 70 HIS C C 13 174.381 . . 1 . . . . . 310 H C . 27412 1 446 . 1 . 1 70 70 HIS CA C 13 55.721 . . 1 . . . . . 310 H CA . 27412 1 447 . 1 . 1 70 70 HIS CB C 13 29.84 . . 1 . . . . . 310 H CB . 27412 1 448 . 1 . 1 70 70 HIS N N 15 120.678 . . 1 . . . . . 310 H N . 27412 1 449 . 1 . 1 71 71 PHE H H 1 8.224 . . 1 . . . . . 311 F H . 27412 1 450 . 1 . 1 71 71 PHE HA H 1 4.499 . . 1 . . . . . 311 F HA . 27412 1 451 . 1 . 1 71 71 PHE HB2 H 1 2.959 . . 1 . . . . . 311 F HB . 27412 1 452 . 1 . 1 71 71 PHE HB3 H 1 2.959 . . 1 . . . . . 311 F HB . 27412 1 453 . 1 . 1 71 71 PHE C C 13 175.214 . . 1 . . . . . 311 F C . 27412 1 454 . 1 . 1 71 71 PHE CA C 13 57.98 . . 1 . . . . . 311 F CA . 27412 1 455 . 1 . 1 71 71 PHE CB C 13 39.685 . . 1 . . . . . 311 F CB . 27412 1 456 . 1 . 1 71 71 PHE N N 15 121.588 . . 1 . . . . . 311 F N . 27412 1 457 . 1 . 1 72 72 HIS H H 1 8.296 . . 1 . . . . . 312 H H . 27412 1 458 . 1 . 1 72 72 HIS N N 15 122.034 . . 1 . . . . . 312 H N . 27412 1 459 . 1 . 1 73 73 ALA H H 1 8.273 . . 1 . . . . . 313 A H . 27412 1 460 . 1 . 1 73 73 ALA HA H 1 4.192 . . 1 . . . . . 313 A HA . 27412 1 461 . 1 . 1 73 73 ALA HB1 H 1 1.29 . . 1 . . . . . 313 A HB . 27412 1 462 . 1 . 1 73 73 ALA HB2 H 1 1.29 . . 1 . . . . . 313 A HB . 27412 1 463 . 1 . 1 73 73 ALA HB3 H 1 1.29 . . 1 . . . . . 313 A HB . 27412 1 464 . 1 . 1 73 73 ALA C C 13 177.188 . . 1 . . . . . 313 A C . 27412 1 465 . 1 . 1 73 73 ALA CA C 13 52.374 . . 1 . . . . . 313 A CA . 27412 1 466 . 1 . 1 73 73 ALA CB C 13 19.29 . . 1 . . . . . 313 A CB . 27412 1 467 . 1 . 1 73 73 ALA N N 15 125.909 . . 1 . . . . . 313 A N . 27412 1 468 . 1 . 1 74 74 TYR H H 1 8.291 . . 1 . . . . . 314 Y H . 27412 1 469 . 1 . 1 74 74 TYR HA H 1 4.517 . . 1 . . . . . 314 Y HA . 27412 1 470 . 1 . 1 74 74 TYR HB2 H 1 2.982 . . 1 . . . . . 314 Y HB . 27412 1 471 . 1 . 1 74 74 TYR HB3 H 1 2.982 . . 1 . . . . . 314 Y HB . 27412 1 472 . 1 . 1 74 74 TYR C C 13 175.791 . . 1 . . . . . 314 Y C . 27412 1 473 . 1 . 1 74 74 TYR CA C 13 58.163 . . 1 . . . . . 314 Y CA . 27412 1 474 . 1 . 1 74 74 TYR CB C 13 38.856 . . 1 . . . . . 314 Y CB . 27412 1 475 . 1 . 1 74 74 TYR N N 15 120.25 . . 1 . . . . . 314 Y N . 27412 1 476 . 1 . 1 75 75 SER H H 1 8.18 . . 1 . . . . . 315 S H . 27412 1 477 . 1 . 1 75 75 SER HA H 1 4.396 . . 1 . . . . . 315 S HA . 27412 1 478 . 1 . 1 75 75 SER HB2 H 1 3.764 . . 1 . . . . . 315 S HB . 27412 1 479 . 1 . 1 75 75 SER HB3 H 1 3.764 . . 1 . . . . . 315 S HB . 27412 1 480 . 1 . 1 75 75 SER C C 13 174.227 . . 1 . . . . . 315 S C . 27412 1 481 . 1 . 1 75 75 SER CA C 13 57.859 . . 1 . . . . . 315 S CA . 27412 1 482 . 1 . 1 75 75 SER CB C 13 64.108 . . 1 . . . . . 315 S CB . 27412 1 483 . 1 . 1 75 75 SER N N 15 116.825 . . 1 . . . . . 315 S N . 27412 1 484 . 1 . 1 76 76 GLU H H 1 8.561 . . 1 . . . . . 316 E H . 27412 1 485 . 1 . 1 76 76 GLU HA H 1 4.251 . . 1 . . . . . 316 E HA . 27412 1 486 . 1 . 1 76 76 GLU HB2 H 1 2.074 . . 1 . . . . . 316 E HB1 . 27412 1 487 . 1 . 1 76 76 GLU HB3 H 1 1.944 . . 1 . . . . . 316 E HB2 . 27412 1 488 . 1 . 1 76 76 GLU C C 13 176.663 . . 1 . . . . . 316 E C . 27412 1 489 . 1 . 1 76 76 GLU CA C 13 56.978 . . 1 . . . . . 316 E CA . 27412 1 490 . 1 . 1 76 76 GLU CB C 13 30.248 . . 1 . . . . . 316 E CB . 27412 1 491 . 1 . 1 76 76 GLU N N 15 123.091 . . 1 . . . . . 316 E N . 27412 1 492 . 1 . 1 77 77 THR C C 13 174.381 . . 1 . . . . . 317 T C . 27412 1 493 . 1 . 1 79 79 PRO HA H 1 4.335 . . 1 . . . . . 319 P HA . 27412 1 494 . 1 . 1 79 79 PRO HB2 H 1 2.19 . . 1 . . . . . 319 P HB1 . 27412 1 495 . 1 . 1 79 79 PRO HB3 H 1 1.747 . . 1 . . . . . 319 P HB2 . 27412 1 496 . 1 . 1 79 79 PRO C C 13 176.766 . . 1 . . . . . 319 P C . 27412 1 497 . 1 . 1 79 79 PRO CA C 13 63.283 . . 1 . . . . . 319 P CA . 27412 1 498 . 1 . 1 79 79 PRO CB C 13 32.12 . . 1 . . . . . 319 P CB . 27412 1 499 . 1 . 1 79 79 PRO N N 15 120.14 . . 1 . . . . . 319 P N . 27412 1 500 . 1 . 1 80 80 MET H H 1 8.424 . . 1 . . . . . 320 M H . 27412 1 501 . 1 . 1 80 80 MET HA H 1 4.354 . . 1 . . . . . 320 M HA . 27412 1 502 . 1 . 1 80 80 MET HB2 H 1 1.9 . . 1 . . . . . 320 M HB . 27412 1 503 . 1 . 1 80 80 MET HB3 H 1 1.9 . . 1 . . . . . 320 M HB . 27412 1 504 . 1 . 1 80 80 MET C C 13 175.969 . . 1 . . . . . 320 M C . 27412 1 505 . 1 . 1 80 80 MET CA C 13 55.449 . . 1 . . . . . 320 M CA . 27412 1 506 . 1 . 1 80 80 MET CB C 13 32.965 . . 1 . . . . . 320 M CB . 27412 1 507 . 1 . 1 80 80 MET N N 15 120.146 . . 1 . . . . . 320 M N . 27412 1 508 . 1 . 1 81 81 PHE H H 1 8.206 . . 1 . . . . . 321 F H . 27412 1 509 . 1 . 1 81 81 PHE HA H 1 4.576 . . 1 . . . . . 321 F HA . 27412 1 510 . 1 . 1 81 81 PHE HB2 H 1 3.104 . . 1 . . . . . 321 F HB1 . 27412 1 511 . 1 . 1 81 81 PHE HB3 H 1 2.97 . . 1 . . . . . 321 F HB2 . 27412 1 512 . 1 . 1 81 81 PHE C C 13 175.252 . . 1 . . . . . 321 F C . 27412 1 513 . 1 . 1 81 81 PHE CA C 13 57.789 . . 1 . . . . . 321 F CA . 27412 1 514 . 1 . 1 81 81 PHE CB C 13 39.934 . . 1 . . . . . 321 F CB . 27412 1 515 . 1 . 1 81 81 PHE N N 15 121.286 . . 1 . . . . . 321 F N . 27412 1 516 . 1 . 1 82 82 ASP H H 1 8.367 . . 1 . . . . . 322 D H . 27412 1 517 . 1 . 1 82 82 ASP HA H 1 4.548 . . 1 . . . . . 322 D HA . 27412 1 518 . 1 . 1 82 82 ASP HB2 H 1 2.691 . . 1 . . . . . 322 D HB1 . 27412 1 519 . 1 . 1 82 82 ASP HB3 H 1 2.559 . . 1 . . . . . 322 D HB2 . 27412 1 520 . 1 . 1 82 82 ASP C C 13 176.12 . . 1 . . . . . 322 D C . 27412 1 521 . 1 . 1 82 82 ASP CA C 13 54.087 . . 1 . . . . . 322 D CA . 27412 1 522 . 1 . 1 82 82 ASP CB C 13 41.288 . . 1 . . . . . 322 D CB . 27412 1 523 . 1 . 1 82 82 ASP N N 15 122.125 . . 1 . . . . . 322 D N . 27412 1 524 . 1 . 1 83 83 LEU H H 1 8.271 . . 1 . . . . . 323 L H . 27412 1 525 . 1 . 1 83 83 LEU HA H 1 4.228 . . 1 . . . . . 323 L HA . 27412 1 526 . 1 . 1 83 83 LEU HB2 H 1 1.625 . . 1 . . . . . 323 L HB . 27412 1 527 . 1 . 1 83 83 LEU HB3 H 1 1.625 . . 1 . . . . . 323 L HB . 27412 1 528 . 1 . 1 83 83 LEU C C 13 177.932 . . 1 . . . . . 323 L C . 27412 1 529 . 1 . 1 83 83 LEU CA C 13 55.949 . . 1 . . . . . 323 L CA . 27412 1 530 . 1 . 1 83 83 LEU CB C 13 42.242 . . 1 . . . . . 323 L CB . 27412 1 531 . 1 . 1 83 83 LEU N N 15 123.237 . . 1 . . . . . 323 L N . 27412 1 532 . 1 . 1 84 84 GLN H H 1 8.484 . . 1 . . . . . 324 Q H . 27412 1 533 . 1 . 1 84 84 GLN HA H 1 4.308 . . 1 . . . . . 324 Q HA . 27412 1 534 . 1 . 1 84 84 GLN HB2 H 1 2.118 . . 1 . . . . . 324 Q HB1 . 27412 1 535 . 1 . 1 84 84 GLN HB3 H 1 2.044 . . 1 . . . . . 324 Q HB2 . 27412 1 536 . 1 . 1 84 84 GLN C C 13 176.763 . . 1 . . . . . 324 Q C . 27412 1 537 . 1 . 1 84 84 GLN CA C 13 56.485 . . 1 . . . . . 324 Q CA . 27412 1 538 . 1 . 1 84 84 GLN CB C 13 29.119 . . 1 . . . . . 324 Q CB . 27412 1 539 . 1 . 1 84 84 GLN N N 15 120.001 . . 1 . . . . . 324 Q N . 27412 1 540 . 1 . 1 85 85 THR H H 1 8.123 . . 1 . . . . . 325 T H . 27412 1 541 . 1 . 1 85 85 THR HA H 1 4.298 . . 1 . . . . . 325 T HA . 27412 1 542 . 1 . 1 85 85 THR HB H 1 4.25 . . 1 . . . . . 325 T HB . 27412 1 543 . 1 . 1 85 85 THR C C 13 175.009 . . 1 . . . . . 325 T C . 27412 1 544 . 1 . 1 85 85 THR CA C 13 62.458 . . 1 . . . . . 325 T CA . 27412 1 545 . 1 . 1 85 85 THR CB C 13 69.708 . . 1 . . . . . 325 T CB . 27412 1 546 . 1 . 1 85 85 THR N N 15 114.362 . . 1 . . . . . 325 T N . 27412 1 547 . 1 . 1 86 86 SER H H 1 8.274 . . 1 . . . . . 326 S H . 27412 1 548 . 1 . 1 86 86 SER C C 13 174.494 . . 1 . . . . . 326 S C . 27412 1 549 . 1 . 1 86 86 SER N N 15 117.651 . . 1 . . . . . 326 S N . 27412 1 550 . 1 . 1 87 87 ALA H H 1 8.256 . . 1 . . . . . 327 A H . 27412 1 551 . 1 . 1 87 87 ALA HA H 1 4.218 . . 1 . . . . . 327 A HA . 27412 1 552 . 1 . 1 87 87 ALA HB1 H 1 1.316 . . 1 . . . . . 327 A HB . 27412 1 553 . 1 . 1 87 87 ALA HB2 H 1 1.316 . . 1 . . . . . 327 A HB . 27412 1 554 . 1 . 1 87 87 ALA HB3 H 1 1.316 . . 1 . . . . . 327 A HB . 27412 1 555 . 1 . 1 87 87 ALA C C 13 177.726 . . 1 . . . . . 327 A C . 27412 1 556 . 1 . 1 87 87 ALA CA C 13 53.031 . . 1 . . . . . 327 A CA . 27412 1 557 . 1 . 1 87 87 ALA CB C 13 19.096 . . 1 . . . . . 327 A CB . 27412 1 558 . 1 . 1 87 87 ALA N N 15 125.224 . . 1 . . . . . 327 A N . 27412 1 559 . 1 . 1 88 88 HIS H H 1 8.264 . . 1 . . . . . 328 H H . 27412 1 560 . 1 . 1 88 88 HIS HA H 1 4.558 . . 1 . . . . . 328 H HA . 27412 1 561 . 1 . 1 88 88 HIS HB2 H 1 3.062 . . 1 . . . . . 328 H HB . 27412 1 562 . 1 . 1 88 88 HIS HB3 H 1 3.062 . . 1 . . . . . 328 H HB . 27412 1 563 . 1 . 1 88 88 HIS C C 13 174.829 . . 1 . . . . . 328 H C . 27412 1 564 . 1 . 1 88 88 HIS CA C 13 55.878 . . 1 . . . . . 328 H CA . 27412 1 565 . 1 . 1 88 88 HIS CB C 13 29.652 . . 1 . . . . . 328 H CB . 27412 1 566 . 1 . 1 88 88 HIS N N 15 117.424 . . 1 . . . . . 328 H N . 27412 1 567 . 1 . 1 89 89 MET H H 1 8.184 . . 1 . . . . . 329 M H . 27412 1 568 . 1 . 1 89 89 MET HA H 1 4.37 . . 1 . . . . . 329 M HA . 27412 1 569 . 1 . 1 89 89 MET HB2 H 1 1.876 . . 1 . . . . . 329 M HB . 27412 1 570 . 1 . 1 89 89 MET HB3 H 1 1.876 . . 1 . . . . . 329 M HB . 27412 1 571 . 1 . 1 89 89 MET C C 13 175.791 . . 1 . . . . . 329 M C . 27412 1 572 . 1 . 1 89 89 MET CA C 13 55.671 . . 1 . . . . . 329 M CA . 27412 1 573 . 1 . 1 89 89 MET CB C 13 32.852 . . 1 . . . . . 329 M CB . 27412 1 574 . 1 . 1 89 89 MET N N 15 121.246 . . 1 . . . . . 329 M N . 27412 1 575 . 1 . 1 90 90 TYR H H 1 8.286 . . 1 . . . . . 330 Y H . 27412 1 576 . 1 . 1 90 90 TYR HA H 1 4.638 . . 1 . . . . . 330 Y HA . 27412 1 577 . 1 . 1 90 90 TYR HB2 H 1 3.063 . . 1 . . . . . 330 Y HB1 . 27412 1 578 . 1 . 1 90 90 TYR HB3 H 1 2.933 . . 1 . . . . . 330 Y HB2 . 27412 1 579 . 1 . 1 90 90 TYR C C 13 175.855 . . 1 . . . . . 330 Y C . 27412 1 580 . 1 . 1 90 90 TYR CA C 13 57.942 . . 1 . . . . . 330 Y CA . 27412 1 581 . 1 . 1 90 90 TYR CB C 13 38.846 . . 1 . . . . . 330 Y CB . 27412 1 582 . 1 . 1 90 90 TYR N N 15 121.312 . . 1 . . . . . 330 Y N . 27412 1 583 . 1 . 1 91 91 THR H H 1 8.095 . . 1 . . . . . 331 T H . 27412 1 584 . 1 . 1 91 91 THR HA H 1 4.278 . . 1 . . . . . 331 T HA . 27412 1 585 . 1 . 1 91 91 THR HB H 1 4.124 . . 1 . . . . . 331 T HB . 27412 1 586 . 1 . 1 91 91 THR C C 13 173.985 . . 1 . . . . . 331 T C . 27412 1 587 . 1 . 1 91 91 THR CA C 13 61.812 . . 1 . . . . . 331 T CA . 27412 1 588 . 1 . 1 91 91 THR CB C 13 70.021 . . 1 . . . . . 331 T CB . 27412 1 589 . 1 . 1 91 91 THR N N 15 116.586 . . 1 . . . . . 331 T N . 27412 1 590 . 1 . 1 92 92 GLN H H 1 8.463 . . 1 . . . . . 332 Q H . 27412 1 591 . 1 . 1 92 92 GLN HA H 1 4.395 . . 1 . . . . . 332 Q HA . 27412 1 592 . 1 . 1 92 92 GLN HB2 H 1 2.11 . . 1 . . . . . 332 Q HB1 . 27412 1 593 . 1 . 1 92 92 GLN HB3 H 1 1.992 . . 1 . . . . . 332 Q HB2 . 27412 1 594 . 1 . 1 92 92 GLN C C 13 176.093 . . 1 . . . . . 332 Q C . 27412 1 595 . 1 . 1 92 92 GLN CA C 13 55.987 . . 1 . . . . . 332 Q CA . 27412 1 596 . 1 . 1 92 92 GLN CB C 13 29.746 . . 1 . . . . . 332 Q CB . 27412 1 597 . 1 . 1 92 92 GLN N N 15 123.285 . . 1 . . . . . 332 Q N . 27412 1 598 . 1 . 1 93 93 THR H H 1 8.432 . . 1 . . . . . 333 T H . 27412 1 599 . 1 . 1 93 93 THR HA H 1 4.366 . . 1 . . . . . 333 T HA . 27412 1 600 . 1 . 1 93 93 THR HB H 1 4.249 . . 1 . . . . . 333 T HB . 27412 1 601 . 1 . 1 93 93 THR C C 13 174.573 . . 1 . . . . . 333 T C . 27412 1 602 . 1 . 1 93 93 THR CA C 13 61.912 . . 1 . . . . . 333 T CA . 27412 1 603 . 1 . 1 93 93 THR CB C 13 70.072 . . 1 . . . . . 333 T CB . 27412 1 604 . 1 . 1 93 93 THR N N 15 116.078 . . 1 . . . . . 333 T N . 27412 1 605 . 1 . 1 94 94 CYS H H 1 8.518 . . 1 . . . . . 334 C H . 27412 1 606 . 1 . 1 94 94 CYS HA H 1 4.507 . . 1 . . . . . 334 C HA . 27412 1 607 . 1 . 1 94 94 CYS HB2 H 1 2.916 . . 1 . . . . . 334 C HB . 27412 1 608 . 1 . 1 94 94 CYS HB3 H 1 2.916 . . 1 . . . . . 334 C HB . 27412 1 609 . 1 . 1 94 94 CYS C C 13 174.381 . . 1 . . . . . 334 C C . 27412 1 610 . 1 . 1 94 94 CYS CA C 13 58.615 . . 1 . . . . . 334 C CA . 27412 1 611 . 1 . 1 94 94 CYS CB C 13 28.172 . . 1 . . . . . 334 C CB . 27412 1 612 . 1 . 1 94 94 CYS N N 15 121.104 . . 1 . . . . . 334 C N . 27412 1 613 . 1 . 1 95 95 ASP H H 1 8.45 . . 1 . . . . . 335 D H . 27412 1 614 . 1 . 1 95 95 ASP HA H 1 4.58 . . 1 . . . . . 335 D HA . 27412 1 615 . 1 . 1 95 95 ASP HB2 H 1 2.7 . . 1 . . . . . 335 D HB1 . 27412 1 616 . 1 . 1 95 95 ASP HB3 H 1 2.574 . . 1 . . . . . 335 D HB2 . 27412 1 617 . 1 . 1 95 95 ASP C C 13 176.046 . . 1 . . . . . 335 D C . 27412 1 618 . 1 . 1 95 95 ASP CA C 13 54.975 . . 1 . . . . . 335 D CA . 27412 1 619 . 1 . 1 95 95 ASP CB C 13 41.184 . . 1 . . . . . 335 D CB . 27412 1 620 . 1 . 1 95 95 ASP N N 15 123.185 . . 1 . . . . . 335 D N . 27412 1 621 . 1 . 1 96 96 ASP H H 1 8.232 . . 1 . . . . . 336 D H . 27412 1 622 . 1 . 1 96 96 ASP HA H 1 4.507 . . 1 . . . . . 336 D HA . 27412 1 623 . 1 . 1 96 96 ASP HB2 H 1 2.591 . . 1 . . . . . 336 D HB . 27412 1 624 . 1 . 1 96 96 ASP HB3 H 1 2.591 . . 1 . . . . . 336 D HB . 27412 1 625 . 1 . 1 96 96 ASP C C 13 176.248 . . 1 . . . . . 336 D C . 27412 1 626 . 1 . 1 96 96 ASP CA C 13 54.896 . . 1 . . . . . 336 D CA . 27412 1 627 . 1 . 1 96 96 ASP CB C 13 41.017 . . 1 . . . . . 336 D CB . 27412 1 628 . 1 . 1 96 96 ASP N N 15 120.513 . . 1 . . . . . 336 D N . 27412 1 629 . 1 . 1 97 97 LEU H H 1 8.145 . . 1 . . . . . 337 L H . 27412 1 630 . 1 . 1 97 97 LEU HA H 1 4.251 . . 1 . . . . . 337 L HA . 27412 1 631 . 1 . 1 97 97 LEU HB2 H 1 1.549 . . 1 . . . . . 337 L HB1 . 27412 1 632 . 1 . 1 97 97 LEU HB3 H 1 1.451 . . 1 . . . . . 337 L HB2 . 27412 1 633 . 1 . 1 97 97 LEU C C 13 177.291 . . 1 . . . . . 337 L C . 27412 1 634 . 1 . 1 97 97 LEU CA C 13 55.435 . . 1 . . . . . 337 L CA . 27412 1 635 . 1 . 1 97 97 LEU CB C 13 42.154 . . 1 . . . . . 337 L CB . 27412 1 636 . 1 . 1 97 97 LEU N N 15 121.979 . . 1 . . . . . 337 L N . 27412 1 637 . 1 . 1 98 98 PHE H H 1 8.23 . . 1 . . . . . 338 F H . 27412 1 638 . 1 . 1 98 98 PHE HA H 1 4.503 . . 1 . . . . . 338 F HA . 27412 1 639 . 1 . 1 98 98 PHE HB2 H 1 3.079 . . 1 . . . . . 338 F HB . 27412 1 640 . 1 . 1 98 98 PHE HB3 H 1 3.079 . . 1 . . . . . 338 F HB . 27412 1 641 . 1 . 1 98 98 PHE C C 13 176.111 . . 1 . . . . . 338 F C . 27412 1 642 . 1 . 1 98 98 PHE CA C 13 58.387 . . 1 . . . . . 338 F CA . 27412 1 643 . 1 . 1 98 98 PHE CB C 13 39.313 . . 1 . . . . . 338 F CB . 27412 1 644 . 1 . 1 98 98 PHE N N 15 120.694 . . 1 . . . . . 338 F N . 27412 1 645 . 1 . 1 99 99 GLU H H 1 8.248 . . 1 . . . . . 339 E H . 27412 1 646 . 1 . 1 99 99 GLU HA H 1 4.178 . . 1 . . . . . 339 E HA . 27412 1 647 . 1 . 1 99 99 GLU HB2 H 1 1.926 . . 1 . . . . . 339 E HB . 27412 1 648 . 1 . 1 99 99 GLU HB3 H 1 1.926 . . 1 . . . . . 339 E HB . 27412 1 649 . 1 . 1 99 99 GLU C C 13 176.509 . . 1 . . . . . 339 E C . 27412 1 650 . 1 . 1 99 99 GLU CA C 13 56.864 . . 1 . . . . . 339 E CA . 27412 1 651 . 1 . 1 99 99 GLU CB C 13 30.532 . . 1 . . . . . 339 E CB . 27412 1 652 . 1 . 1 99 99 GLU N N 15 122.433 . . 1 . . . . . 339 E N . 27412 1 653 . 1 . 1 100 100 GLU H H 1 8.459 . . 1 . . . . . 340 E H . 27412 1 654 . 1 . 1 100 100 GLU HA H 1 4.173 . . 1 . . . . . 340 E HA . 27412 1 655 . 1 . 1 100 100 GLU HB2 H 1 2.006 . . 1 . . . . . 340 E HB . 27412 1 656 . 1 . 1 100 100 GLU HB3 H 1 2.006 . . 1 . . . . . 340 E HB . 27412 1 657 . 1 . 1 100 100 GLU C C 13 176.962 . . 1 . . . . . 340 E C . 27412 1 658 . 1 . 1 100 100 GLU CA C 13 57.106 . . 1 . . . . . 340 E CA . 27412 1 659 . 1 . 1 100 100 GLU CB C 13 30.046 . . 1 . . . . . 340 E CB . 27412 1 660 . 1 . 1 100 100 GLU N N 15 122.194 . . 1 . . . . . 340 E N . 27412 1 661 . 1 . 1 101 101 LEU H H 1 8.351 . . 1 . . . . . 341 L H . 27412 1 662 . 1 . 1 101 101 LEU HA H 1 4.283 . . 1 . . . . . 341 L HA . 27412 1 663 . 1 . 1 101 101 LEU HB2 H 1 1.685 . . 1 . . . . . 341 L HB1 . 27412 1 664 . 1 . 1 101 101 LEU HB3 H 1 1.552 . . 1 . . . . . 341 L HB2 . 27412 1 665 . 1 . 1 101 101 LEU C C 13 178.265 . . 1 . . . . . 341 L C . 27412 1 666 . 1 . 1 101 101 LEU CA C 13 55.599 . . 1 . . . . . 341 L CA . 27412 1 667 . 1 . 1 101 101 LEU CB C 13 42.284 . . 1 . . . . . 341 L CB . 27412 1 668 . 1 . 1 101 101 LEU N N 15 122.575 . . 1 . . . . . 341 L N . 27412 1 669 . 1 . 1 102 102 GLY H H 1 8.41 . . 1 . . . . . 342 G H . 27412 1 670 . 1 . 1 102 102 GLY HA2 H 1 3.907 . . 1 . . . . . 342 G HA . 27412 1 671 . 1 . 1 102 102 GLY HA3 H 1 3.907 . . 1 . . . . . 342 G HA . 27412 1 672 . 1 . 1 102 102 GLY C C 13 174.573 . . 1 . . . . . 342 G C . 27412 1 673 . 1 . 1 102 102 GLY CA C 13 45.721 . . 1 . . . . . 342 G CA . 27412 1 674 . 1 . 1 102 102 GLY N N 15 109.061 . . 1 . . . . . 342 G N . 27412 1 675 . 1 . 1 103 103 LEU H H 1 8.051 . . 1 . . . . . 343 L H . 27412 1 676 . 1 . 1 103 103 LEU HA H 1 4.323 . . 1 . . . . . 343 L HA . 27412 1 677 . 1 . 1 103 103 LEU HB2 H 1 1.574 . . 1 . . . . . 343 L HB . 27412 1 678 . 1 . 1 103 103 LEU HB3 H 1 1.574 . . 1 . . . . . 343 L HB . 27412 1 679 . 1 . 1 103 103 LEU C C 13 177.74 . . 1 . . . . . 343 L C . 27412 1 680 . 1 . 1 103 103 LEU CA C 13 55.326 . . 1 . . . . . 343 L CA . 27412 1 681 . 1 . 1 103 103 LEU CB C 13 42.4 . . 1 . . . . . 343 L CB . 27412 1 682 . 1 . 1 103 103 LEU N N 15 120.98 . . 1 . . . . . 343 L N . 27412 1 683 . 1 . 1 104 104 SER H H 1 8.321 . . 1 . . . . . 344 S H . 27412 1 684 . 1 . 1 104 104 SER HA H 1 4.371 . . 1 . . . . . 344 S HA . 27412 1 685 . 1 . 1 104 104 SER HB2 H 1 3.828 . . 1 . . . . . 344 S HB . 27412 1 686 . 1 . 1 104 104 SER HB3 H 1 3.828 . . 1 . . . . . 344 S HB . 27412 1 687 . 1 . 1 104 104 SER C C 13 174.56 . . 1 . . . . . 344 S C . 27412 1 688 . 1 . 1 104 104 SER CA C 13 58.75 . . 1 . . . . . 344 S CA . 27412 1 689 . 1 . 1 104 104 SER CB C 13 63.705 . . 1 . . . . . 344 S CB . 27412 1 690 . 1 . 1 104 104 SER N N 15 115.66 . . 1 . . . . . 344 S N . 27412 1 691 . 1 . 1 105 105 HIS H H 1 8.433 . . 1 . . . . . 345 H H . 27412 1 692 . 1 . 1 105 105 HIS HA H 1 4.655 . . 1 . . . . . 345 H HA . 27412 1 693 . 1 . 1 105 105 HIS HB2 H 1 3.19 . . 1 . . . . . 345 H HB1 . 27412 1 694 . 1 . 1 105 105 HIS HB3 H 1 3.09 . . 1 . . . . . 345 H HB2 . 27412 1 695 . 1 . 1 105 105 HIS C C 13 174.881 . . 1 . . . . . 345 H C . 27412 1 696 . 1 . 1 105 105 HIS CA C 13 56.054 . . 1 . . . . . 345 H CA . 27412 1 697 . 1 . 1 105 105 HIS CB C 13 29.66 . . 1 . . . . . 345 H CB . 27412 1 698 . 1 . 1 105 105 HIS N N 15 120.784 . . 1 . . . . . 345 H N . 27412 1 699 . 1 . 1 106 106 ILE H H 1 8.079 . . 1 . . . . . 346 I H . 27412 1 700 . 1 . 1 106 106 ILE C C 13 176.522 . . 1 . . . . . 346 I C . 27412 1 701 . 1 . 1 106 106 ILE N N 15 121.976 . . 1 . . . . . 346 I N . 27412 1 702 . 1 . 1 107 107 GLN H H 1 8.568 . . 1 . . . . . 347 Q H . 27412 1 703 . 1 . 1 107 107 GLN HA H 1 4.375 . . 1 . . . . . 347 Q HA . 27412 1 704 . 1 . 1 107 107 GLN HB2 H 1 2.091 . . 1 . . . . . 347 Q HB1 . 27412 1 705 . 1 . 1 107 107 GLN HB3 H 1 1.991 . . 1 . . . . . 347 Q HB2 . 27412 1 706 . 1 . 1 107 107 GLN C C 13 176.213 . . 1 . . . . . 347 Q C . 27412 1 707 . 1 . 1 107 107 GLN CA C 13 56.037 . . 1 . . . . . 347 Q CA . 27412 1 708 . 1 . 1 107 107 GLN CB C 13 29.453 . . 1 . . . . . 347 Q CB . 27412 1 709 . 1 . 1 107 107 GLN N N 15 124.712 . . 1 . . . . . 347 Q N . 27412 1 710 . 1 . 1 108 108 THR H H 1 8.291 . . 1 . . . . . 348 T H . 27412 1 711 . 1 . 1 108 108 THR HA H 1 4.281 . . 1 . . . . . 348 T HA . 27412 1 712 . 1 . 1 108 108 THR HB H 1 4.188 . . 1 . . . . . 348 T HB . 27412 1 713 . 1 . 1 108 108 THR C C 13 174.47 . . 1 . . . . . 348 T C . 27412 1 714 . 1 . 1 108 108 THR CA C 13 62.207 . . 1 . . . . . 348 T CA . 27412 1 715 . 1 . 1 108 108 THR CB C 13 69.841 . . 1 . . . . . 348 T CB . 27412 1 716 . 1 . 1 108 108 THR N N 15 116.217 . . 1 . . . . . 348 T N . 27412 1 717 . 1 . 1 109 109 GLN H H 1 8.434 . . 1 . . . . . 349 Q H . 27412 1 718 . 1 . 1 109 109 GLN HA H 1 4.333 . . 1 . . . . . 349 Q HA . 27412 1 719 . 1 . 1 109 109 GLN HB2 H 1 1.993 . . 1 . . . . . 349 Q HB1 . 27412 1 720 . 1 . 1 109 109 GLN HB3 H 1 1.888 . . 1 . . . . . 349 Q HB2 . 27412 1 721 . 1 . 1 109 109 GLN CA C 13 55.909 . . 1 . . . . . 349 Q CA . 27412 1 722 . 1 . 1 109 109 GLN CB C 13 29.532 . . 1 . . . . . 349 Q CB . 27412 1 723 . 1 . 1 109 109 GLN N N 15 122.828 . . 1 . . . . . 349 Q N . 27412 1 724 . 1 . 1 110 110 THR H H 1 8.242 . . 1 . . . . . 350 T H . 27412 1 725 . 1 . 1 110 110 THR HA H 1 4.165 . . 1 . . . . . 350 T HA . 27412 1 726 . 1 . 1 110 110 THR HB H 1 3.959 . . 1 . . . . . 350 T HB . 27412 1 727 . 1 . 1 110 110 THR C C 13 173.842 . . 1 . . . . . 350 T C . 27412 1 728 . 1 . 1 110 110 THR CA C 13 61.861 . . 1 . . . . . 350 T CA . 27412 1 729 . 1 . 1 110 110 THR CB C 13 69.852 . . 1 . . . . . 350 T CB . 27412 1 730 . 1 . 1 110 110 THR N N 15 115.734 . . 1 . . . . . 350 T N . 27412 1 731 . 1 . 1 111 111 HIS C C 13 173.906 . . 1 . . . . . 351 H C . 27412 1 732 . 1 . 1 114 114 ASP H H 1 8.43 . . 1 . . . . . 354 D H . 27412 1 733 . 1 . 1 114 114 ASP HA H 1 4.569 . . 1 . . . . . 354 D HA . 27412 1 734 . 1 . 1 114 114 ASP HB2 H 1 2.692 . . 1 . . . . . 354 D HB . 27412 1 735 . 1 . 1 114 114 ASP HB3 H 1 2.692 . . 1 . . . . . 354 D HB . 27412 1 736 . 1 . 1 114 114 ASP C C 13 176.957 . . 1 . . . . . 354 D C . 27412 1 737 . 1 . 1 114 114 ASP CA C 13 54.816 . . 1 . . . . . 354 D CA . 27412 1 738 . 1 . 1 114 114 ASP CB C 13 41.189 . . 1 . . . . . 354 D CB . 27412 1 739 . 1 . 1 114 114 ASP N N 15 120.174 . . 1 . . . . . 354 D N . 27412 1 740 . 1 . 1 115 115 GLY H H 1 8.376 . . 1 . . . . . 355 G H . 27412 1 741 . 1 . 1 115 115 GLY HA2 H 1 3.874 . . 1 . . . . . 355 G HA . 27412 1 742 . 1 . 1 115 115 GLY HA3 H 1 3.874 . . 1 . . . . . 355 G HA . 27412 1 743 . 1 . 1 115 115 GLY C C 13 174.201 . . 1 . . . . . 355 G C . 27412 1 744 . 1 . 1 115 115 GLY CA C 13 45.653 . . 1 . . . . . 355 G CA . 27412 1 745 . 1 . 1 115 115 GLY N N 15 109.052 . . 1 . . . . . 355 G N . 27412 1 746 . 1 . 1 116 116 LEU H H 1 8.021 . . 1 . . . . . 356 L H . 27412 1 747 . 1 . 1 116 116 LEU HA H 1 4.226 . . 1 . . . . . 356 L HA . 27412 1 748 . 1 . 1 116 116 LEU HB2 H 1 1.472 . . 1 . . . . . 356 L HB1 . 27412 1 749 . 1 . 1 116 116 LEU HB3 H 1 1.349 . . 1 . . . . . 356 L HB2 . 27412 1 750 . 1 . 1 116 116 LEU C C 13 177.121 . . 1 . . . . . 356 L C . 27412 1 751 . 1 . 1 116 116 LEU CA C 13 55.442 . . 1 . . . . . 356 L CA . 27412 1 752 . 1 . 1 116 116 LEU CB C 13 42.337 . . 1 . . . . . 356 L CB . 27412 1 753 . 1 . 1 116 116 LEU N N 15 121.466 . . 1 . . . . . 356 L N . 27412 1 754 . 1 . 1 117 117 TYR H H 1 8.185 . . 1 . . . . . 357 Y H . 27412 1 755 . 1 . 1 117 117 TYR HA H 1 4.442 . . 1 . . . . . 357 Y HA . 27412 1 756 . 1 . 1 117 117 TYR HB2 H 1 2.994 . . 1 . . . . . 357 Y HB1 . 27412 1 757 . 1 . 1 117 117 TYR HB3 H 1 2.82 . . 1 . . . . . 357 Y HB2 . 27412 1 758 . 1 . 1 117 117 TYR C C 13 175.637 . . 1 . . . . . 357 Y C . 27412 1 759 . 1 . 1 117 117 TYR CA C 13 57.907 . . 1 . . . . . 357 Y CA . 27412 1 760 . 1 . 1 117 117 TYR CB C 13 38.685 . . 1 . . . . . 357 Y CB . 27412 1 761 . 1 . 1 117 117 TYR N N 15 119.891 . . 1 . . . . . 357 Y N . 27412 1 762 . 1 . 1 118 118 ASN H H 1 8.244 . . 1 . . . . . 358 N H . 27412 1 763 . 1 . 1 118 118 ASN HA H 1 4.651 . . 1 . . . . . 358 N HA . 27412 1 764 . 1 . 1 118 118 ASN HB2 H 1 2.758 . . 1 . . . . . 358 N HB1 . 27412 1 765 . 1 . 1 118 118 ASN HB3 H 1 2.634 . . 1 . . . . . 358 N HB2 . 27412 1 766 . 1 . 1 118 118 ASN C C 13 175.457 . . 1 . . . . . 358 N C . 27412 1 767 . 1 . 1 118 118 ASN CA C 13 53.293 . . 1 . . . . . 358 N CA . 27412 1 768 . 1 . 1 118 118 ASN CB C 13 38.776 . . 1 . . . . . 358 N CB . 27412 1 769 . 1 . 1 118 118 ASN N N 15 120.185 . . 1 . . . . . 358 N N . 27412 1 770 . 1 . 1 119 119 THR H H 1 8.112 . . 1 . . . . . 359 T H . 27412 1 771 . 1 . 1 119 119 THR HA H 1 4.235 . . 1 . . . . . 359 T HA . 27412 1 772 . 1 . 1 119 119 THR HB H 1 4.215 . . 1 . . . . . 359 T HB . 27412 1 773 . 1 . 1 119 119 THR C C 13 174.715 . . 1 . . . . . 359 T C . 27412 1 774 . 1 . 1 119 119 THR CA C 13 62.345 . . 1 . . . . . 359 T CA . 27412 1 775 . 1 . 1 119 119 THR CB C 13 69.604 . . 1 . . . . . 359 T CB . 27412 1 776 . 1 . 1 119 119 THR N N 15 114.217 . . 1 . . . . . 359 T N . 27412 1 777 . 1 . 1 120 120 GLN H H 1 8.349 . . 1 . . . . . 360 Q H . 27412 1 778 . 1 . 1 120 120 GLN C C 13 175.752 . . 1 . . . . . 360 Q C . 27412 1 779 . 1 . 1 120 120 GLN N N 15 121.863 . . 1 . . . . . 360 Q N . 27412 1 780 . 1 . 1 121 121 HIS H H 1 8.44 . . 1 . . . . . 361 H H . 27412 1 781 . 1 . 1 121 121 HIS HB2 H 1 3.167 . . 1 . . . . . 361 H HB1 . 27412 1 782 . 1 . 1 121 121 HIS HB3 H 1 3.054 . . 1 . . . . . 361 H HB2 . 27412 1 783 . 1 . 1 121 121 HIS C C 13 174.842 . . 1 . . . . . 361 H C . 27412 1 784 . 1 . 1 121 121 HIS CB C 13 29.785 . . 1 . . . . . 361 H CB . 27412 1 785 . 1 . 1 121 121 HIS N N 15 120.238 . . 1 . . . . . 361 H N . 27412 1 786 . 1 . 1 122 122 THR H H 1 8.253 . . 1 . . . . . 362 T H . 27412 1 787 . 1 . 1 122 122 THR HA H 1 4.293 . . 1 . . . . . 362 T HA . 27412 1 788 . 1 . 1 122 122 THR HB H 1 4.156 . . 1 . . . . . 362 T HB . 27412 1 789 . 1 . 1 122 122 THR C C 13 174.316 . . 1 . . . . . 362 T C . 27412 1 790 . 1 . 1 122 122 THR CA C 13 62.076 . . 1 . . . . . 362 T CA . 27412 1 791 . 1 . 1 122 122 THR CB C 13 69.818 . . 1 . . . . . 362 T CB . 27412 1 792 . 1 . 1 122 122 THR N N 15 116.476 . . 1 . . . . . 362 T N . 27412 1 793 . 1 . 1 123 123 GLN H H 1 8.615 . . 1 . . . . . 363 Q H . 27412 1 794 . 1 . 1 123 123 GLN HA H 1 4.431 . . 1 . . . . . 363 Q HA . 27412 1 795 . 1 . 1 123 123 GLN HB2 H 1 2.109 . . 1 . . . . . 363 Q HB1 . 27412 1 796 . 1 . 1 123 123 GLN HB3 H 1 1.984 . . 1 . . . . . 363 Q HB2 . 27412 1 797 . 1 . 1 123 123 GLN C C 13 176.188 . . 1 . . . . . 363 Q C . 27412 1 798 . 1 . 1 123 123 GLN CA C 13 55.951 . . 1 . . . . . 363 Q CA . 27412 1 799 . 1 . 1 123 123 GLN CB C 13 29.83 . . 1 . . . . . 363 Q CB . 27412 1 800 . 1 . 1 123 123 GLN N N 15 123.351 . . 1 . . . . . 363 Q N . 27412 1 801 . 1 . 1 124 124 THR H H 1 8.444 . . 1 . . . . . 364 T H . 27412 1 802 . 1 . 1 124 124 THR N N 15 116.216 . . 1 . . . . . 364 T N . 27412 1 803 . 1 . 1 125 125 CYS H H 1 8.537 . . 1 . . . . . 365 C H . 27412 1 804 . 1 . 1 125 125 CYS HA H 1 4.515 . . 1 . . . . . 365 C HA . 27412 1 805 . 1 . 1 125 125 CYS HB2 H 1 2.931 . . 1 . . . . . 365 C HB . 27412 1 806 . 1 . 1 125 125 CYS HB3 H 1 2.931 . . 1 . . . . . 365 C HB . 27412 1 807 . 1 . 1 125 125 CYS C C 13 174.331 . . 1 . . . . . 365 C C . 27412 1 808 . 1 . 1 125 125 CYS CA C 13 58.652 . . 1 . . . . . 365 C CA . 27412 1 809 . 1 . 1 125 125 CYS CB C 13 28.153 . . 1 . . . . . 365 C CB . 27412 1 810 . 1 . 1 125 125 CYS N N 15 120.981 . . 1 . . . . . 365 C N . 27412 1 811 . 1 . 1 126 126 ASP H H 1 8.453 . . 1 . . . . . 366 D H . 27412 1 812 . 1 . 1 126 126 ASP HA H 1 4.577 . . 1 . . . . . 366 D HA . 27412 1 813 . 1 . 1 126 126 ASP HB2 H 1 2.701 . . 1 . . . . . 366 D HB1 . 27412 1 814 . 1 . 1 126 126 ASP HB3 H 1 2.573 . . 1 . . . . . 366 D HB2 . 27412 1 815 . 1 . 1 126 126 ASP C C 13 176.073 . . 1 . . . . . 366 D C . 27412 1 816 . 1 . 1 126 126 ASP CA C 13 54.94 . . 1 . . . . . 366 D CA . 27412 1 817 . 1 . 1 126 126 ASP CB C 13 41.181 . . 1 . . . . . 366 D CB . 27412 1 818 . 1 . 1 126 126 ASP N N 15 122.802 . . 1 . . . . . 366 D N . 27412 1 819 . 1 . 1 127 127 GLU H H 1 8.251 . . 1 . . . . . 367 E H . 27412 1 820 . 1 . 1 127 127 GLU HA H 1 4.234 . . 1 . . . . . 367 E HA . 27412 1 821 . 1 . 1 127 127 GLU HB2 H 1 1.965 . . 1 . . . . . 367 E HB . 27412 1 822 . 1 . 1 127 127 GLU HB3 H 1 1.965 . . 1 . . . . . 367 E HB . 27412 1 823 . 1 . 1 127 127 GLU C C 13 176.336 . . 1 . . . . . 367 E C . 27412 1 824 . 1 . 1 127 127 GLU CA C 13 56.77 . . 1 . . . . . 367 E CA . 27412 1 825 . 1 . 1 127 127 GLU CB C 13 30.415 . . 1 . . . . . 367 E CB . 27412 1 826 . 1 . 1 127 127 GLU N N 15 120.963 . . 1 . . . . . 367 E N . 27412 1 827 . 1 . 1 128 128 ILE H H 1 8.27 . . 1 . . . . . 368 I H . 27412 1 828 . 1 . 1 128 128 ILE C C 13 176.408 . . 1 . . . . . 368 I C . 27412 1 829 . 1 . 1 128 128 ILE N N 15 122.653 . . 1 . . . . . 368 I N . 27412 1 830 . 1 . 1 129 129 MET H H 1 8.513 . . 1 . . . . . 369 M H . 27412 1 831 . 1 . 1 129 129 MET HA H 1 4.483 . . 1 . . . . . 369 M HA . 27412 1 832 . 1 . 1 129 129 MET HB2 H 1 1.971 . . 1 . . . . . 369 M HB . 27412 1 833 . 1 . 1 129 129 MET HB3 H 1 1.971 . . 1 . . . . . 369 M HB . 27412 1 834 . 1 . 1 129 129 MET C C 13 175.953 . . 1 . . . . . 369 M C . 27412 1 835 . 1 . 1 129 129 MET CA C 13 55.349 . . 1 . . . . . 369 M CA . 27412 1 836 . 1 . 1 129 129 MET CB C 13 32.885 . . 1 . . . . . 369 M CB . 27412 1 837 . 1 . 1 129 129 MET N N 15 125.302 . . 1 . . . . . 369 M N . 27412 1 838 . 1 . 1 130 130 ASP H H 1 8.364 . . 1 . . . . . 370 D H . 27412 1 839 . 1 . 1 130 130 ASP HA H 1 4.516 . . 1 . . . . . 370 D HA . 27412 1 840 . 1 . 1 130 130 ASP HB2 H 1 2.67 . . 1 . . . . . 370 D HB1 . 27412 1 841 . 1 . 1 130 130 ASP HB3 H 1 2.55 . . 1 . . . . . 370 D HB2 . 27412 1 842 . 1 . 1 130 130 ASP C C 13 176.201 . . 1 . . . . . 370 D C . 27412 1 843 . 1 . 1 130 130 ASP CA C 13 54.69 . . 1 . . . . . 370 D CA . 27412 1 844 . 1 . 1 130 130 ASP CB C 13 41.328 . . 1 . . . . . 370 D CB . 27412 1 845 . 1 . 1 130 130 ASP N N 15 122.125 . . 1 . . . . . 370 D N . 27412 1 846 . 1 . 1 131 131 GLU H H 1 8.33 . . 1 . . . . . 371 E H . 27412 1 847 . 1 . 1 131 131 GLU HA H 1 4.123 . . 1 . . . . . 371 E HA . 27412 1 848 . 1 . 1 131 131 GLU HB2 H 1 1.897 . . 1 . . . . . 371 E HB . 27412 1 849 . 1 . 1 131 131 GLU HB3 H 1 1.897 . . 1 . . . . . 371 E HB . 27412 1 850 . 1 . 1 131 131 GLU C C 13 176.047 . . 1 . . . . . 371 E C . 27412 1 851 . 1 . 1 131 131 GLU CA C 13 56.74 . . 1 . . . . . 371 E CA . 27412 1 852 . 1 . 1 131 131 GLU CB C 13 30.394 . . 1 . . . . . 371 E CB . 27412 1 853 . 1 . 1 131 131 GLU N N 15 121.316 . . 1 . . . . . 371 E N . 27412 1 854 . 1 . 1 132 132 LEU H H 1 8.202 . . 1 . . . . . 372 L H . 27412 1 855 . 1 . 1 132 132 LEU HA H 1 4.205 . . 1 . . . . . 372 L HA . 27412 1 856 . 1 . 1 132 132 LEU HB2 H 1 1.534 . . 1 . . . . . 372 L HB . 27412 1 857 . 1 . 1 132 132 LEU HB3 H 1 1.534 . . 1 . . . . . 372 L HB . 27412 1 858 . 1 . 1 132 132 LEU C C 13 176.727 . . 1 . . . . . 372 L C . 27412 1 859 . 1 . 1 132 132 LEU CA C 13 55.099 . . 1 . . . . . 372 L CA . 27412 1 860 . 1 . 1 132 132 LEU CB C 13 42.481 . . 1 . . . . . 372 L CB . 27412 1 861 . 1 . 1 132 132 LEU N N 15 122.705 . . 1 . . . . . 372 L N . 27412 1 862 . 1 . 1 133 133 PHE H H 1 8.316 . . 1 . . . . . 373 F H . 27412 1 863 . 1 . 1 133 133 PHE N N 15 121.123 . . 1 . . . . . 373 F N . 27412 1 864 . 1 . 1 134 134 PRO HA H 1 4.392 . . 1 . . . . . 374 P HA . 27412 1 865 . 1 . 1 134 134 PRO HB2 H 1 2.234 . . 1 . . . . . 374 P HB1 . 27412 1 866 . 1 . 1 134 134 PRO HB3 H 1 1.91 . . 1 . . . . . 374 P HB2 . 27412 1 867 . 1 . 1 134 134 PRO C C 13 176.864 . . 1 . . . . . 374 P C . 27412 1 868 . 1 . 1 134 134 PRO CA C 13 63.436 . . 1 . . . . . 374 P CA . 27412 1 869 . 1 . 1 134 134 PRO CB C 13 32.174 . . 1 . . . . . 374 P CB . 27412 1 870 . 1 . 1 135 135 ASP H H 1 8.42 . . 1 . . . . . 375 D H . 27412 1 871 . 1 . 1 135 135 ASP HA H 1 4.519 . . 1 . . . . . 375 D HA . 27412 1 872 . 1 . 1 135 135 ASP HB2 H 1 2.616 . . 1 . . . . . 375 D HB . 27412 1 873 . 1 . 1 135 135 ASP HB3 H 1 2.616 . . 1 . . . . . 375 D HB . 27412 1 874 . 1 . 1 135 135 ASP C C 13 176.234 . . 1 . . . . . 375 D C . 27412 1 875 . 1 . 1 135 135 ASP CA C 13 54.673 . . 1 . . . . . 375 D CA . 27412 1 876 . 1 . 1 135 135 ASP CB C 13 41.02 . . 1 . . . . . 375 D CB . 27412 1 877 . 1 . 1 135 135 ASP N N 15 119.924 . . 1 . . . . . 375 D N . 27412 1 878 . 1 . 1 136 136 ASN H H 1 8.323 . . 1 . . . . . 376 N H . 27412 1 879 . 1 . 1 136 136 ASN HA H 1 4.646 . . 1 . . . . . 376 N HA . 27412 1 880 . 1 . 1 136 136 ASN HB2 H 1 2.742 . . 1 . . . . . 376 N HB . 27412 1 881 . 1 . 1 136 136 ASN HB3 H 1 2.742 . . 1 . . . . . 376 N HB . 27412 1 882 . 1 . 1 136 136 ASN C C 13 175.324 . . 1 . . . . . 376 N C . 27412 1 883 . 1 . 1 136 136 ASN CA C 13 53.373 . . 1 . . . . . 376 N CA . 27412 1 884 . 1 . 1 136 136 ASN CB C 13 38.612 . . 1 . . . . . 376 N CB . 27412 1 885 . 1 . 1 136 136 ASN N N 15 118.57 . . 1 . . . . . 376 N N . 27412 1 886 . 1 . 1 137 137 PHE H H 1 8.256 . . 1 . . . . . 377 F H . 27412 1 887 . 1 . 1 137 137 PHE HA H 1 4.522 . . 1 . . . . . 377 F HA . 27412 1 888 . 1 . 1 137 137 PHE HB2 H 1 3.101 . . 1 . . . . . 377 F HB . 27412 1 889 . 1 . 1 137 137 PHE HB3 H 1 3.101 . . 1 . . . . . 377 F HB . 27412 1 890 . 1 . 1 137 137 PHE C C 13 175.919 . . 1 . . . . . 377 F C . 27412 1 891 . 1 . 1 137 137 PHE CA C 13 58.573 . . 1 . . . . . 377 F CA . 27412 1 892 . 1 . 1 137 137 PHE CB C 13 39.321 . . 1 . . . . . 377 F CB . 27412 1 893 . 1 . 1 137 137 PHE N N 15 120.632 . . 1 . . . . . 377 F N . 27412 1 894 . 1 . 1 138 138 GLN H H 1 8.284 . . 1 . . . . . 378 Q H . 27412 1 895 . 1 . 1 138 138 GLN HA H 1 4.25 . . 1 . . . . . 378 Q HA . 27412 1 896 . 1 . 1 138 138 GLN HB2 H 1 2.037 . . 1 . . . . . 378 Q HB1 . 27412 1 897 . 1 . 1 138 138 GLN HB3 H 1 1.914 . . 1 . . . . . 378 Q HB2 . 27412 1 898 . 1 . 1 138 138 GLN C C 13 175.906 . . 1 . . . . . 378 Q C . 27412 1 899 . 1 . 1 138 138 GLN CA C 13 56.012 . . 1 . . . . . 378 Q CA . 27412 1 900 . 1 . 1 138 138 GLN CB C 13 29.336 . . 1 . . . . . 378 Q CB . 27412 1 901 . 1 . 1 138 138 GLN N N 15 121.598 . . 1 . . . . . 378 Q N . 27412 1 902 . 1 . 1 139 139 SER H H 1 8.33 . . 1 . . . . . 379 S H . 27412 1 903 . 1 . 1 139 139 SER HA H 1 4.413 . . 1 . . . . . 379 S HA . 27412 1 904 . 1 . 1 139 139 SER HB2 H 1 3.877 . . 1 . . . . . 379 S HB . 27412 1 905 . 1 . 1 139 139 SER HB3 H 1 3.877 . . 1 . . . . . 379 S HB . 27412 1 906 . 1 . 1 139 139 SER C C 13 175.096 . . 1 . . . . . 379 S C . 27412 1 907 . 1 . 1 139 139 SER CA C 13 58.756 . . 1 . . . . . 379 S CA . 27412 1 908 . 1 . 1 139 139 SER CB C 13 63.769 . . 1 . . . . . 379 S CB . 27412 1 909 . 1 . 1 139 139 SER N N 15 116.8 . . 1 . . . . . 379 S N . 27412 1 910 . 1 . 1 140 140 THR H H 1 8.22 . . 1 . . . . . 380 T H . 27412 1 911 . 1 . 1 140 140 THR HB H 1 4.279 . . 1 . . . . . 380 T HB . 27412 1 912 . 1 . 1 140 140 THR C C 13 174.727 . . 1 . . . . . 380 T C . 27412 1 913 . 1 . 1 140 140 THR CA C 13 62.1 . . 1 . . . . . 380 T CA . 27412 1 914 . 1 . 1 140 140 THR CB C 13 69.743 . . 1 . . . . . 380 T CB . 27412 1 915 . 1 . 1 140 140 THR N N 15 115.38 . . 1 . . . . . 380 T N . 27412 1 916 . 1 . 1 141 141 CYS H H 1 8.351 . . 1 . . . . . 381 C H . 27412 1 917 . 1 . 1 141 141 CYS HA H 1 4.57 . . 1 . . . . . 381 C HA . 27412 1 918 . 1 . 1 141 141 CYS HB2 H 1 2.91 . . 1 . . . . . 381 C HB . 27412 1 919 . 1 . 1 141 141 CYS C C 13 174.955 . . 1 . . . . . 381 C C . 27412 1 920 . 1 . 1 141 141 CYS CA C 13 58.86 . . 1 . . . . . 381 C CA . 27412 1 921 . 1 . 1 141 141 CYS CB C 13 27.9 . . 1 . . . . . 381 C CB . 27412 1 922 . 1 . 1 141 141 CYS N N 15 121.44 . . 1 . . . . . 381 C N . 27412 1 923 . 1 . 1 142 142 THR H H 1 8.32 . . 1 . . . . . 382 T H . 27412 1 924 . 1 . 1 142 142 THR HA H 1 4.308 . . 1 . . . . . 382 T HA . 27412 1 925 . 1 . 1 142 142 THR HB H 1 4.219 . . 1 . . . . . 382 T HB . 27412 1 926 . 1 . 1 142 142 THR C C 13 174.509 . . 1 . . . . . 382 T C . 27412 1 927 . 1 . 1 142 142 THR CA C 13 62.321 . . 1 . . . . . 382 T CA . 27412 1 928 . 1 . 1 142 142 THR CB C 13 69.61 . . 1 . . . . . 382 T CB . 27412 1 929 . 1 . 1 142 142 THR N N 15 117.1 . . 1 . . . . . 382 T N . 27412 1 930 . 1 . 1 143 143 GLN H H 1 8.417 . . 1 . . . . . 383 Q H . 27412 1 931 . 1 . 1 143 143 GLN HA H 1 4.369 . . 1 . . . . . 383 Q HA . 27412 1 932 . 1 . 1 143 143 GLN HB2 H 1 2.068 . . 1 . . . . . 383 Q HB1 . 27412 1 933 . 1 . 1 143 143 GLN HB3 H 1 1.967 . . 1 . . . . . 383 Q HB2 . 27412 1 934 . 1 . 1 143 143 GLN C C 13 175.996 . . 1 . . . . . 383 Q C . 27412 1 935 . 1 . 1 143 143 GLN CA C 13 56.032 . . 1 . . . . . 383 Q CA . 27412 1 936 . 1 . 1 143 143 GLN CB C 13 29.511 . . 1 . . . . . 383 Q CB . 27412 1 937 . 1 . 1 143 143 GLN N N 15 123.142 . . 1 . . . . . 383 Q N . 27412 1 938 . 1 . 1 144 144 THR H H 1 8.292 . . 1 . . . . . 384 T H . 27412 1 939 . 1 . 1 144 144 THR HA H 1 4.184 . . 1 . . . . . 384 T HA . 27412 1 940 . 1 . 1 144 144 THR HB H 1 4.036 . . 1 . . . . . 384 T HB . 27412 1 941 . 1 . 1 144 144 THR C C 13 174.214 . . 1 . . . . . 384 T C . 27412 1 942 . 1 . 1 144 144 THR CA C 13 62.172 . . 1 . . . . . 384 T CA . 27412 1 943 . 1 . 1 144 144 THR CB C 13 69.747 . . 1 . . . . . 384 T CB . 27412 1 944 . 1 . 1 144 144 THR N N 15 116.497 . . 1 . . . . . 384 T N . 27412 1 945 . 1 . 1 145 145 ARG H H 1 8.256 . . 1 . . . . . 385 R H . 27412 1 946 . 1 . 1 145 145 ARG HA H 1 4.281 . . 1 . . . . . 385 R HA . 27412 1 947 . 1 . 1 145 145 ARG HB2 H 1 1.634 . . 1 . . . . . 385 R HB . 27412 1 948 . 1 . 1 145 145 ARG HB3 H 1 1.634 . . 1 . . . . . 385 R HB . 27412 1 949 . 1 . 1 145 145 ARG C C 13 175.56 . . 1 . . . . . 385 R C . 27412 1 950 . 1 . 1 145 145 ARG CA C 13 56.043 . . 1 . . . . . 385 R CA . 27412 1 951 . 1 . 1 145 145 ARG CB C 13 30.973 . . 1 . . . . . 385 R CB . 27412 1 952 . 1 . 1 145 145 ARG N N 15 123.834 . . 1 . . . . . 385 R N . 27412 1 953 . 1 . 1 146 146 TRP H H 1 8.291 . . 1 . . . . . 386 W H . 27412 1 954 . 1 . 1 146 146 TRP HA H 1 4.682 . . 1 . . . . . 386 W HA . 27412 1 955 . 1 . 1 146 146 TRP HB2 H 1 3.297 . . 1 . . . . . 386 W HB1 . 27412 1 956 . 1 . 1 146 146 TRP HB3 H 1 3.189 . . 1 . . . . . 386 W HB2 . 27412 1 957 . 1 . 1 146 146 TRP C C 13 175.791 . . 1 . . . . . 386 W C . 27412 1 958 . 1 . 1 146 146 TRP CA C 13 57.273 . . 1 . . . . . 386 W CA . 27412 1 959 . 1 . 1 146 146 TRP CB C 13 29.633 . . 1 . . . . . 386 W CB . 27412 1 960 . 1 . 1 146 146 TRP N N 15 122.934 . . 1 . . . . . 386 W N . 27412 1 961 . 1 . 1 147 147 LEU H H 1 8.069 . . 1 . . . . . 387 L H . 27412 1 962 . 1 . 1 147 147 LEU C C 13 175.948 . . 1 . . . . . 387 L C . 27412 1 963 . 1 . 1 147 147 LEU N N 15 124.129 . . 1 . . . . . 387 L N . 27412 1 stop_ save_