data_25171 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25171 _Entry.Title ; Solution structure of MLL-IBD complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-28 _Entry.Accession_date 2016-09-28 _Entry.Last_release_date 2016-09-28 _Entry.Original_release_date 2016-09-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _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 Tomasz Cierpicki . . . . 25171 2 Jonathan Pollock . . . . 25171 3 Marcelo Murai . . . . 25171 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25171 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Protein-protein complex' . 25171 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25171 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 533 25171 '15N chemical shifts' 148 25171 '1H chemical shifts' 744 25171 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 . . 2016-09-28 2014-08-23 update BMRB 'update entry citation' 25171 1 . . 2014-12-01 2014-08-23 original author 'original release' 25171 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MTN 'BMRB Entry Tracking System' 25171 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25171 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25305204 _Citation.Full_citation . _Citation.Title ; The same site on LEDGF IBD domain represents therapeutic target for MLL leukemia and HIV ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Blood _Citation.Journal_name_full . _Citation.Journal_volume 124 _Citation.Journal_issue 25 _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 3730 _Citation.Page_last 3737 _Citation.Year 2014 _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 Tomasz Cierpicki . . . . 25171 1 2 Jonathan Pollock . . . . 25171 1 3 Marcelo Murai . . . . 25171 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25171 _Assembly.ID 1 _Assembly.Name 'MLL-IBD complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 25171 1 2 entity_2 2 $entity_2 B . yes native no no . . . 25171 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25171 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPAMAPGFDAALQVSAAIGT NLRRFRAVFGESGGGGGSGE DEQFLGFGSD ; _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 50 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 105 GLY . 25171 1 2 106 PRO . 25171 1 3 107 ALA . 25171 1 4 108 MET . 25171 1 5 109 ALA . 25171 1 6 110 PRO . 25171 1 7 111 GLY . 25171 1 8 112 PHE . 25171 1 9 113 ASP . 25171 1 10 114 ALA . 25171 1 11 115 ALA . 25171 1 12 116 LEU . 25171 1 13 117 GLN . 25171 1 14 118 VAL . 25171 1 15 119 SER . 25171 1 16 120 ALA . 25171 1 17 121 ALA . 25171 1 18 122 ILE . 25171 1 19 123 GLY . 25171 1 20 124 THR . 25171 1 21 125 ASN . 25171 1 22 126 LEU . 25171 1 23 127 ARG . 25171 1 24 128 ARG . 25171 1 25 129 PHE . 25171 1 26 130 ARG . 25171 1 27 131 ALA . 25171 1 28 132 VAL . 25171 1 29 133 PHE . 25171 1 30 134 GLY . 25171 1 31 135 GLU . 25171 1 32 136 SER . 25171 1 33 137 GLY . 25171 1 34 138 GLY . 25171 1 35 139 GLY . 25171 1 36 140 GLY . 25171 1 37 141 GLY . 25171 1 38 142 SER . 25171 1 39 143 GLY . 25171 1 40 144 GLU . 25171 1 41 145 ASP . 25171 1 42 146 GLU . 25171 1 43 147 GLN . 25171 1 44 148 PHE . 25171 1 45 149 LEU . 25171 1 46 150 GLY . 25171 1 47 151 PHE . 25171 1 48 152 GLY . 25171 1 49 153 SER . 25171 1 50 154 ASP . 25171 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25171 1 . PRO 2 2 25171 1 . ALA 3 3 25171 1 . MET 4 4 25171 1 . ALA 5 5 25171 1 . PRO 6 6 25171 1 . GLY 7 7 25171 1 . PHE 8 8 25171 1 . ASP 9 9 25171 1 . ALA 10 10 25171 1 . ALA 11 11 25171 1 . LEU 12 12 25171 1 . GLN 13 13 25171 1 . VAL 14 14 25171 1 . SER 15 15 25171 1 . ALA 16 16 25171 1 . ALA 17 17 25171 1 . ILE 18 18 25171 1 . GLY 19 19 25171 1 . THR 20 20 25171 1 . ASN 21 21 25171 1 . LEU 22 22 25171 1 . ARG 23 23 25171 1 . ARG 24 24 25171 1 . PHE 25 25 25171 1 . ARG 26 26 25171 1 . ALA 27 27 25171 1 . VAL 28 28 25171 1 . PHE 29 29 25171 1 . GLY 30 30 25171 1 . GLU 31 31 25171 1 . SER 32 32 25171 1 . GLY 33 33 25171 1 . GLY 34 34 25171 1 . GLY 35 35 25171 1 . GLY 36 36 25171 1 . GLY 37 37 25171 1 . SER 38 38 25171 1 . GLY 39 39 25171 1 . GLU 40 40 25171 1 . ASP 41 41 25171 1 . GLU 42 42 25171 1 . GLN 43 43 25171 1 . PHE 44 44 25171 1 . LEU 45 45 25171 1 . GLY 46 46 25171 1 . PHE 47 47 25171 1 . GLY 48 48 25171 1 . SER 49 49 25171 1 . ASP 50 50 25171 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 25171 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EEVRVRGSVKKVEKKRETSM DSRLQRIHAEIKNSLKIDNL DVNRCIEALDELASLQVTMQ QAQKHTEMITTLKKIRRFKV SQVIMEKSTMLYNKFKNMFL VGEGDSVITQVLNK ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 329 GLU . 25171 2 2 330 GLU . 25171 2 3 331 VAL . 25171 2 4 332 ARG . 25171 2 5 333 VAL . 25171 2 6 334 ARG . 25171 2 7 335 GLY . 25171 2 8 336 SER . 25171 2 9 337 VAL . 25171 2 10 338 LYS . 25171 2 11 339 LYS . 25171 2 12 340 VAL . 25171 2 13 341 GLU . 25171 2 14 342 LYS . 25171 2 15 343 LYS . 25171 2 16 344 ARG . 25171 2 17 345 GLU . 25171 2 18 346 THR . 25171 2 19 347 SER . 25171 2 20 348 MET . 25171 2 21 349 ASP . 25171 2 22 350 SER . 25171 2 23 351 ARG . 25171 2 24 352 LEU . 25171 2 25 353 GLN . 25171 2 26 354 ARG . 25171 2 27 355 ILE . 25171 2 28 356 HIS . 25171 2 29 357 ALA . 25171 2 30 358 GLU . 25171 2 31 359 ILE . 25171 2 32 360 LYS . 25171 2 33 361 ASN . 25171 2 34 362 SER . 25171 2 35 363 LEU . 25171 2 36 364 LYS . 25171 2 37 365 ILE . 25171 2 38 366 ASP . 25171 2 39 367 ASN . 25171 2 40 368 LEU . 25171 2 41 369 ASP . 25171 2 42 370 VAL . 25171 2 43 371 ASN . 25171 2 44 372 ARG . 25171 2 45 373 CYS . 25171 2 46 374 ILE . 25171 2 47 375 GLU . 25171 2 48 376 ALA . 25171 2 49 377 LEU . 25171 2 50 378 ASP . 25171 2 51 379 GLU . 25171 2 52 380 LEU . 25171 2 53 381 ALA . 25171 2 54 382 SER . 25171 2 55 383 LEU . 25171 2 56 384 GLN . 25171 2 57 385 VAL . 25171 2 58 386 THR . 25171 2 59 387 MET . 25171 2 60 388 GLN . 25171 2 61 389 GLN . 25171 2 62 390 ALA . 25171 2 63 391 GLN . 25171 2 64 392 LYS . 25171 2 65 393 HIS . 25171 2 66 394 THR . 25171 2 67 395 GLU . 25171 2 68 396 MET . 25171 2 69 397 ILE . 25171 2 70 398 THR . 25171 2 71 399 THR . 25171 2 72 400 LEU . 25171 2 73 401 LYS . 25171 2 74 402 LYS . 25171 2 75 403 ILE . 25171 2 76 404 ARG . 25171 2 77 405 ARG . 25171 2 78 406 PHE . 25171 2 79 407 LYS . 25171 2 80 408 VAL . 25171 2 81 409 SER . 25171 2 82 410 GLN . 25171 2 83 411 VAL . 25171 2 84 412 ILE . 25171 2 85 413 MET . 25171 2 86 414 GLU . 25171 2 87 415 LYS . 25171 2 88 416 SER . 25171 2 89 417 THR . 25171 2 90 418 MET . 25171 2 91 419 LEU . 25171 2 92 420 TYR . 25171 2 93 421 ASN . 25171 2 94 422 LYS . 25171 2 95 423 PHE . 25171 2 96 424 LYS . 25171 2 97 425 ASN . 25171 2 98 426 MET . 25171 2 99 427 PHE . 25171 2 100 428 LEU . 25171 2 101 429 VAL . 25171 2 102 430 GLY . 25171 2 103 431 GLU . 25171 2 104 432 GLY . 25171 2 105 433 ASP . 25171 2 106 434 SER . 25171 2 107 435 VAL . 25171 2 108 436 ILE . 25171 2 109 437 THR . 25171 2 110 438 GLN . 25171 2 111 439 VAL . 25171 2 112 440 LEU . 25171 2 113 441 ASN . 25171 2 114 442 LYS . 25171 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLU 1 1 25171 2 . GLU 2 2 25171 2 . VAL 3 3 25171 2 . ARG 4 4 25171 2 . VAL 5 5 25171 2 . ARG 6 6 25171 2 . GLY 7 7 25171 2 . SER 8 8 25171 2 . VAL 9 9 25171 2 . LYS 10 10 25171 2 . LYS 11 11 25171 2 . VAL 12 12 25171 2 . GLU 13 13 25171 2 . LYS 14 14 25171 2 . LYS 15 15 25171 2 . ARG 16 16 25171 2 . GLU 17 17 25171 2 . THR 18 18 25171 2 . SER 19 19 25171 2 . MET 20 20 25171 2 . ASP 21 21 25171 2 . SER 22 22 25171 2 . ARG 23 23 25171 2 . LEU 24 24 25171 2 . GLN 25 25 25171 2 . ARG 26 26 25171 2 . ILE 27 27 25171 2 . HIS 28 28 25171 2 . ALA 29 29 25171 2 . GLU 30 30 25171 2 . ILE 31 31 25171 2 . LYS 32 32 25171 2 . ASN 33 33 25171 2 . SER 34 34 25171 2 . LEU 35 35 25171 2 . LYS 36 36 25171 2 . ILE 37 37 25171 2 . ASP 38 38 25171 2 . ASN 39 39 25171 2 . LEU 40 40 25171 2 . ASP 41 41 25171 2 . VAL 42 42 25171 2 . ASN 43 43 25171 2 . ARG 44 44 25171 2 . CYS 45 45 25171 2 . ILE 46 46 25171 2 . GLU 47 47 25171 2 . ALA 48 48 25171 2 . LEU 49 49 25171 2 . ASP 50 50 25171 2 . GLU 51 51 25171 2 . LEU 52 52 25171 2 . ALA 53 53 25171 2 . SER 54 54 25171 2 . LEU 55 55 25171 2 . GLN 56 56 25171 2 . VAL 57 57 25171 2 . THR 58 58 25171 2 . MET 59 59 25171 2 . GLN 60 60 25171 2 . GLN 61 61 25171 2 . ALA 62 62 25171 2 . GLN 63 63 25171 2 . LYS 64 64 25171 2 . HIS 65 65 25171 2 . THR 66 66 25171 2 . GLU 67 67 25171 2 . MET 68 68 25171 2 . ILE 69 69 25171 2 . THR 70 70 25171 2 . THR 71 71 25171 2 . LEU 72 72 25171 2 . LYS 73 73 25171 2 . LYS 74 74 25171 2 . ILE 75 75 25171 2 . ARG 76 76 25171 2 . ARG 77 77 25171 2 . PHE 78 78 25171 2 . LYS 79 79 25171 2 . VAL 80 80 25171 2 . SER 81 81 25171 2 . GLN 82 82 25171 2 . VAL 83 83 25171 2 . ILE 84 84 25171 2 . MET 85 85 25171 2 . GLU 86 86 25171 2 . LYS 87 87 25171 2 . SER 88 88 25171 2 . THR 89 89 25171 2 . MET 90 90 25171 2 . LEU 91 91 25171 2 . TYR 92 92 25171 2 . ASN 93 93 25171 2 . LYS 94 94 25171 2 . PHE 95 95 25171 2 . LYS 96 96 25171 2 . ASN 97 97 25171 2 . MET 98 98 25171 2 . PHE 99 99 25171 2 . LEU 100 100 25171 2 . VAL 101 101 25171 2 . GLY 102 102 25171 2 . GLU 103 103 25171 2 . GLY 104 104 25171 2 . ASP 105 105 25171 2 . SER 106 106 25171 2 . VAL 107 107 25171 2 . ILE 108 108 25171 2 . THR 109 109 25171 2 . GLN 110 110 25171 2 . VAL 111 111 25171 2 . LEU 112 112 25171 2 . ASN 113 113 25171 2 . LYS 114 114 25171 2 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 25171 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25171 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25171 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 25171 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET32a . . . 25171 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET32a . . . 25171 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25171 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.34mM MLL-IBD in 50mM phosphate buffer, pH 6.5, 50mM NaCl' _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 entity_1 'natural abundance' . . 1 $entity_1 . . 0.34 . . mM . . . . 25171 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 0.34 . . mM . . . . 25171 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25171 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25171 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 25171 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 25171 1 pH 6.5 . pH 25171 1 pressure 1 . atm 25171 1 temperature 298 . K 25171 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25171 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25171 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25171 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25171 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25171 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25171 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25171 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25171 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25171 3 'data analysis' 25171 3 'peak picking' 25171 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 25171 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25171 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25171 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 25171 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25171 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25171 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25171 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 25171 _Chem_shift_reference.ID 1 _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 H 1 water protons . . . . ppm 4.75 internal direct 1.0 . . . . . 25171 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 25171 _Assigned_chem_shift_list.ID 1 _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 2 '3D 1H-13C NOESY aliphatic' . . . 25171 1 3 '3D 1H-15N NOESY' . . . 25171 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.469 0.000 . . . . . . 106 PRO HA . 25171 1 2 . 1 1 2 2 PRO C C 13 176.462 0.000 . . . . . . 106 PRO CO . 25171 1 3 . 1 1 2 2 PRO CA C 13 62.991 0.000 . . . . . . 106 PRO CA . 25171 1 4 . 1 1 2 2 PRO CB C 13 32.313 0.000 . . . . . . 106 PRO CB . 25171 1 5 . 1 1 3 3 ALA H H 1 8.486 0.002 . . . . . . 107 ALA HN . 25171 1 6 . 1 1 3 3 ALA HA H 1 4.317 0.004 . . . . . . 107 ALA HA . 25171 1 7 . 1 1 3 3 ALA HB1 H 1 1.419 0.000 . . . . . . 107 ALA QB . 25171 1 8 . 1 1 3 3 ALA HB2 H 1 1.419 0.000 . . . . . . 107 ALA QB . 25171 1 9 . 1 1 3 3 ALA HB3 H 1 1.419 0.000 . . . . . . 107 ALA QB . 25171 1 10 . 1 1 3 3 ALA C C 13 177.614 0.003 . . . . . . 107 ALA CO . 25171 1 11 . 1 1 3 3 ALA CA C 13 52.562 0.016 . . . . . . 107 ALA CA . 25171 1 12 . 1 1 3 3 ALA CB C 13 19.149 0.013 . . . . . . 107 ALA CB . 25171 1 13 . 1 1 3 3 ALA N N 15 124.559 0.039 . . . . . . 107 ALA N . 25171 1 14 . 1 1 4 4 MET H H 1 8.323 0.001 . . . . . . 108 MET HN . 25171 1 15 . 1 1 4 4 MET HA H 1 4.456 0.000 . . . . . . 108 MET HA . 25171 1 16 . 1 1 4 4 MET C C 13 175.518 0.001 . . . . . . 108 MET CO . 25171 1 17 . 1 1 4 4 MET CA C 13 54.975 0.013 . . . . . . 108 MET CA . 25171 1 18 . 1 1 4 4 MET CB C 13 33.298 0.025 . . . . . . 108 MET CB . 25171 1 19 . 1 1 4 4 MET N N 15 119.871 0.012 . . . . . . 108 MET N . 25171 1 20 . 1 1 5 5 ALA H H 1 8.338 0.001 . . . . . . 109 ALA HN . 25171 1 21 . 1 1 5 5 ALA HA H 1 4.633 0.000 . . . . . . 109 ALA HA . 25171 1 22 . 1 1 5 5 ALA HB1 H 1 1.398 0.001 . . . . . . 109 ALA QB . 25171 1 23 . 1 1 5 5 ALA HB2 H 1 1.398 0.001 . . . . . . 109 ALA QB . 25171 1 24 . 1 1 5 5 ALA HB3 H 1 1.398 0.001 . . . . . . 109 ALA QB . 25171 1 25 . 1 1 5 5 ALA C C 13 175.415 0.000 . . . . . . 109 ALA CO . 25171 1 26 . 1 1 5 5 ALA CA C 13 50.560 0.049 . . . . . . 109 ALA CA . 25171 1 27 . 1 1 5 5 ALA CB C 13 18.256 0.067 . . . . . . 109 ALA CB . 25171 1 28 . 1 1 5 5 ALA N N 15 126.837 0.039 . . . . . . 109 ALA N . 25171 1 29 . 1 1 6 6 PRO C C 13 177.600 0.000 . . . . . . 110 PRO CO . 25171 1 30 . 1 1 6 6 PRO CA C 13 63.535 0.000 . . . . . . 110 PRO CA . 25171 1 31 . 1 1 6 6 PRO CB C 13 31.984 0.000 . . . . . . 110 PRO CB . 25171 1 32 . 1 1 7 7 GLY H H 1 8.489 0.001 . . . . . . 111 GLY HN . 25171 1 33 . 1 1 7 7 GLY HA2 H 1 3.929 0.000 . . . . . . 111 GLY QA . 25171 1 34 . 1 1 7 7 GLY HA3 H 1 3.929 0.000 . . . . . . 111 GLY QA . 25171 1 35 . 1 1 7 7 GLY C C 13 174.200 0.007 . . . . . . 111 GLY CO . 25171 1 36 . 1 1 7 7 GLY CA C 13 45.239 0.009 . . . . . . 111 GLY CA . 25171 1 37 . 1 1 7 7 GLY N N 15 109.242 0.021 . . . . . . 111 GLY N . 25171 1 38 . 1 1 8 8 PHE H H 1 8.090 0.003 . . . . . . 112 PHE HN . 25171 1 39 . 1 1 8 8 PHE HA H 1 4.583 0.007 . . . . . . 112 PHE HA . 25171 1 40 . 1 1 8 8 PHE HB2 H 1 3.150 0.013 . . . . . . 112 PHE QB . 25171 1 41 . 1 1 8 8 PHE HB3 H 1 3.150 0.013 . . . . . . 112 PHE QB . 25171 1 42 . 1 1 8 8 PHE HD1 H 1 7.288 0.000 . . . . . . 112 PHE QD . 25171 1 43 . 1 1 8 8 PHE HD2 H 1 7.288 0.000 . . . . . . 112 PHE QD . 25171 1 44 . 1 1 8 8 PHE C C 13 175.345 0.002 . . . . . . 112 PHE CO . 25171 1 45 . 1 1 8 8 PHE CA C 13 58.316 0.053 . . . . . . 112 PHE CA . 25171 1 46 . 1 1 8 8 PHE CB C 13 39.749 0.027 . . . . . . 112 PHE CB . 25171 1 47 . 1 1 8 8 PHE N N 15 120.310 0.040 . . . . . . 112 PHE N . 25171 1 48 . 1 1 9 9 ASP H H 1 8.256 0.005 . . . . . . 113 ASP HN . 25171 1 49 . 1 1 9 9 ASP HA H 1 4.550 0.014 . . . . . . 113 ASP HA . 25171 1 50 . 1 1 9 9 ASP HB2 H 1 2.611 0.008 . . . . . . 113 ASP QB . 25171 1 51 . 1 1 9 9 ASP HB3 H 1 2.611 0.008 . . . . . . 113 ASP QB . 25171 1 52 . 1 1 9 9 ASP C C 13 176.263 0.002 . . . . . . 113 ASP CO . 25171 1 53 . 1 1 9 9 ASP CA C 13 54.135 0.010 . . . . . . 113 ASP CA . 25171 1 54 . 1 1 9 9 ASP CB C 13 41.271 0.002 . . . . . . 113 ASP CB . 25171 1 55 . 1 1 9 9 ASP N N 15 122.406 0.030 . . . . . . 113 ASP N . 25171 1 56 . 1 1 10 10 ALA H H 1 8.235 0.003 . . . . . . 114 ALA HN . 25171 1 57 . 1 1 10 10 ALA HA H 1 4.180 0.002 . . . . . . 114 ALA HA . 25171 1 58 . 1 1 10 10 ALA HB1 H 1 1.455 0.000 . . . . . . 114 ALA QB . 25171 1 59 . 1 1 10 10 ALA HB2 H 1 1.455 0.000 . . . . . . 114 ALA QB . 25171 1 60 . 1 1 10 10 ALA HB3 H 1 1.455 0.000 . . . . . . 114 ALA QB . 25171 1 61 . 1 1 10 10 ALA C C 13 178.165 0.004 . . . . . . 114 ALA CO . 25171 1 62 . 1 1 10 10 ALA CA C 13 53.512 0.041 . . . . . . 114 ALA CA . 25171 1 63 . 1 1 10 10 ALA CB C 13 18.980 0.007 . . . . . . 114 ALA CB . 25171 1 64 . 1 1 10 10 ALA N N 15 125.612 0.035 . . . . . . 114 ALA N . 25171 1 65 . 1 1 11 11 ALA H H 1 8.229 0.002 . . . . . . 115 ALA HN . 25171 1 66 . 1 1 11 11 ALA HA H 1 4.262 0.012 . . . . . . 115 ALA HA . 25171 1 67 . 1 1 11 11 ALA HB1 H 1 1.432 0.000 . . . . . . 115 ALA QB . 25171 1 68 . 1 1 11 11 ALA HB2 H 1 1.432 0.000 . . . . . . 115 ALA QB . 25171 1 69 . 1 1 11 11 ALA HB3 H 1 1.432 0.000 . . . . . . 115 ALA QB . 25171 1 70 . 1 1 11 11 ALA C C 13 178.356 0.022 . . . . . . 115 ALA CO . 25171 1 71 . 1 1 11 11 ALA CA C 13 53.231 0.026 . . . . . . 115 ALA CA . 25171 1 72 . 1 1 11 11 ALA CB C 13 18.806 0.013 . . . . . . 115 ALA CB . 25171 1 73 . 1 1 11 11 ALA N N 15 121.211 0.010 . . . . . . 115 ALA N . 25171 1 74 . 1 1 12 12 LEU H H 1 7.851 0.001 . . . . . . 116 LEU HN . 25171 1 75 . 1 1 12 12 LEU HA H 1 4.308 0.011 . . . . . . 116 LEU HA . 25171 1 76 . 1 1 12 12 LEU HD11 H 1 0.897 0.007 . . . . . . 116 LEU QD1 . 25171 1 77 . 1 1 12 12 LEU HD12 H 1 0.897 0.007 . . . . . . 116 LEU QD1 . 25171 1 78 . 1 1 12 12 LEU HD13 H 1 0.897 0.007 . . . . . . 116 LEU QD1 . 25171 1 79 . 1 1 12 12 LEU HD21 H 1 0.961 0.002 . . . . . . 116 LEU QD2 . 25171 1 80 . 1 1 12 12 LEU HD22 H 1 0.961 0.002 . . . . . . 116 LEU QD2 . 25171 1 81 . 1 1 12 12 LEU HD23 H 1 0.961 0.002 . . . . . . 116 LEU QD2 . 25171 1 82 . 1 1 12 12 LEU C C 13 177.661 0.000 . . . . . . 116 LEU CO . 25171 1 83 . 1 1 12 12 LEU CA C 13 55.476 0.011 . . . . . . 116 LEU CA . 25171 1 84 . 1 1 12 12 LEU CB C 13 42.304 0.016 . . . . . . 116 LEU CB . 25171 1 85 . 1 1 12 12 LEU CD1 C 13 23.492 0.098 . . . . . . 116 LEU CD1 . 25171 1 86 . 1 1 12 12 LEU CD2 C 13 24.829 0.027 . . . . . . 116 LEU CD2 . 25171 1 87 . 1 1 12 12 LEU N N 15 119.570 0.025 . . . . . . 116 LEU N . 25171 1 88 . 1 1 13 13 GLN H H 1 8.117 0.002 . . . . . . 117 GLN HN . 25171 1 89 . 1 1 13 13 GLN HA H 1 4.333 0.000 . . . . . . 117 GLN HA . 25171 1 90 . 1 1 13 13 GLN C C 13 176.320 0.006 . . . . . . 117 GLN CO . 25171 1 91 . 1 1 13 13 GLN CA C 13 56.221 0.032 . . . . . . 117 GLN CA . 25171 1 92 . 1 1 13 13 GLN CB C 13 29.220 0.002 . . . . . . 117 GLN CB . 25171 1 93 . 1 1 13 13 GLN N N 15 120.320 0.009 . . . . . . 117 GLN N . 25171 1 94 . 1 1 14 14 VAL H H 1 8.064 0.001 . . . . . . 118 VAL HN . 25171 1 95 . 1 1 14 14 VAL HA H 1 4.136 0.000 . . . . . . 118 VAL HA . 25171 1 96 . 1 1 14 14 VAL HB H 1 2.127 0.000 . . . . . . 118 VAL HB . 25171 1 97 . 1 1 14 14 VAL C C 13 176.438 0.014 . . . . . . 118 VAL CO . 25171 1 98 . 1 1 14 14 VAL CA C 13 62.859 0.015 . . . . . . 118 VAL CA . 25171 1 99 . 1 1 14 14 VAL CB C 13 32.743 0.029 . . . . . . 118 VAL CB . 25171 1 100 . 1 1 14 14 VAL N N 15 120.441 0.022 . . . . . . 118 VAL N . 25171 1 101 . 1 1 15 15 SER H H 1 8.303 0.002 . . . . . . 119 SER HN . 25171 1 102 . 1 1 15 15 SER HA H 1 4.427 0.000 . . . . . . 119 SER HA . 25171 1 103 . 1 1 15 15 SER C C 13 174.711 0.005 . . . . . . 119 SER CO . 25171 1 104 . 1 1 15 15 SER CA C 13 58.716 0.052 . . . . . . 119 SER CA . 25171 1 105 . 1 1 15 15 SER CB C 13 63.915 0.077 . . . . . . 119 SER CB . 25171 1 106 . 1 1 15 15 SER N N 15 118.488 0.035 . . . . . . 119 SER N . 25171 1 107 . 1 1 16 16 ALA H H 1 8.334 0.001 . . . . . . 120 ALA HN . 25171 1 108 . 1 1 16 16 ALA C C 13 177.717 0.015 . . . . . . 120 ALA CO . 25171 1 109 . 1 1 16 16 ALA CA C 13 52.932 0.086 . . . . . . 120 ALA CA . 25171 1 110 . 1 1 16 16 ALA CB C 13 19.159 0.015 . . . . . . 120 ALA CB . 25171 1 111 . 1 1 16 16 ALA N N 15 125.919 0.021 . . . . . . 120 ALA N . 25171 1 112 . 1 1 17 17 ALA H H 1 8.167 0.005 . . . . . . 121 ALA HN . 25171 1 113 . 1 1 17 17 ALA HA H 1 4.345 0.012 . . . . . . 121 ALA HA . 25171 1 114 . 1 1 17 17 ALA HB1 H 1 1.442 0.003 . . . . . . 121 ALA QB . 25171 1 115 . 1 1 17 17 ALA HB2 H 1 1.442 0.003 . . . . . . 121 ALA QB . 25171 1 116 . 1 1 17 17 ALA HB3 H 1 1.442 0.003 . . . . . . 121 ALA QB . 25171 1 117 . 1 1 17 17 ALA C C 13 178.069 0.012 . . . . . . 121 ALA CO . 25171 1 118 . 1 1 17 17 ALA CA C 13 52.850 0.033 . . . . . . 121 ALA CA . 25171 1 119 . 1 1 17 17 ALA CB C 13 19.031 0.032 . . . . . . 121 ALA CB . 25171 1 120 . 1 1 17 17 ALA N N 15 122.610 0.007 . . . . . . 121 ALA N . 25171 1 121 . 1 1 18 18 ILE H H 1 8.001 0.007 . . . . . A 122 ILE HN . 25171 1 122 . 1 1 18 18 ILE HA H 1 4.177 0.007 . . . . . A 122 ILE HA . 25171 1 123 . 1 1 18 18 ILE HB H 1 1.947 0.000 . . . . . A 122 ILE HB . 25171 1 124 . 1 1 18 18 ILE HG12 H 1 1.267 0.000 . . . . . A 122 ILE HG12 . 25171 1 125 . 1 1 18 18 ILE HG13 H 1 1.567 0.000 . . . . . A 122 ILE HG13 . 25171 1 126 . 1 1 18 18 ILE HG21 H 1 0.978 0.000 . . . . . A 122 ILE HG21 . 25171 1 127 . 1 1 18 18 ILE HG22 H 1 0.978 0.000 . . . . . A 122 ILE HG22 . 25171 1 128 . 1 1 18 18 ILE HG23 H 1 0.978 0.000 . . . . . A 122 ILE HG23 . 25171 1 129 . 1 1 18 18 ILE HD11 H 1 0.913 0.001 . . . . . A 122 ILE HD11 . 25171 1 130 . 1 1 18 18 ILE HD12 H 1 0.913 0.001 . . . . . A 122 ILE HD12 . 25171 1 131 . 1 1 18 18 ILE HD13 H 1 0.913 0.001 . . . . . A 122 ILE HD13 . 25171 1 132 . 1 1 18 18 ILE C C 13 177.164 0.006 . . . . . A 122 ILE C . 25171 1 133 . 1 1 18 18 ILE CA C 13 61.895 0.068 . . . . . A 122 ILE CA . 25171 1 134 . 1 1 18 18 ILE CB C 13 38.691 0.015 . . . . . A 122 ILE CB . 25171 1 135 . 1 1 18 18 ILE CG1 C 13 27.492 0.051 . . . . . A 122 ILE CG1 . 25171 1 136 . 1 1 18 18 ILE CG2 C 13 17.595 0.055 . . . . . A 122 ILE CG2 . 25171 1 137 . 1 1 18 18 ILE CD1 C 13 13.127 0.067 . . . . . A 122 ILE CD1 . 25171 1 138 . 1 1 18 18 ILE N N 15 119.402 0.004 . . . . . A 122 ILE N . 25171 1 139 . 1 1 19 19 GLY H H 1 8.472 0.011 . . . . . A 123 GLY H . 25171 1 140 . 1 1 19 19 GLY HA2 H 1 4.038 0.008 . . . . . A 123 GLY HA2 . 25171 1 141 . 1 1 19 19 GLY HA3 H 1 4.038 0.008 . . . . . A 123 GLY HA3 . 25171 1 142 . 1 1 19 19 GLY C C 13 174.962 0.000 . . . . . A 123 GLY C . 25171 1 143 . 1 1 19 19 GLY CA C 13 45.693 0.184 . . . . . A 123 GLY CA . 25171 1 144 . 1 1 19 19 GLY N N 15 111.573 0.014 . . . . . A 123 GLY N . 25171 1 145 . 1 1 20 20 THR H H 1 8.131 0.003 . . . . . A 124 THR H . 25171 1 146 . 1 1 20 20 THR HA H 1 4.250 0.004 . . . . . A 124 THR HA . 25171 1 147 . 1 1 20 20 THR HB H 1 4.283 0.003 . . . . . A 124 THR HB . 25171 1 148 . 1 1 20 20 THR HG21 H 1 1.262 0.002 . . . . . A 124 THR HG21 . 25171 1 149 . 1 1 20 20 THR HG22 H 1 1.262 0.002 . . . . . A 124 THR HG22 . 25171 1 150 . 1 1 20 20 THR HG23 H 1 1.262 0.002 . . . . . A 124 THR HG23 . 25171 1 151 . 1 1 20 20 THR C C 13 175.063 0.000 . . . . . A 124 THR C . 25171 1 152 . 1 1 20 20 THR CA C 13 63.471 0.054 . . . . . A 124 THR CA . 25171 1 153 . 1 1 20 20 THR CB C 13 69.620 0.042 . . . . . A 124 THR CB . 25171 1 154 . 1 1 20 20 THR CG2 C 13 21.758 0.110 . . . . . A 124 THR CG2 . 25171 1 155 . 1 1 20 20 THR N N 15 114.663 0.035 . . . . . A 124 THR N . 25171 1 156 . 1 1 21 21 ASN H H 1 8.556 0.004 . . . . . A 125 ASN H . 25171 1 157 . 1 1 21 21 ASN HB2 H 1 2.917 0.002 . . . . . A 125 ASN QB . 25171 1 158 . 1 1 21 21 ASN HB3 H 1 2.917 0.002 . . . . . A 125 ASN HB3 . 25171 1 159 . 1 1 21 21 ASN HD21 H 1 7.005 0.000 . . . . . A 125 ASN HD21 . 25171 1 160 . 1 1 21 21 ASN HD22 H 1 7.695 0.000 . . . . . A 125 ASN HD22 . 25171 1 161 . 1 1 21 21 ASN C C 13 176.210 0.035 . . . . . A 125 ASN C . 25171 1 162 . 1 1 21 21 ASN CA C 13 54.401 0.038 . . . . . A 125 ASN CA . 25171 1 163 . 1 1 21 21 ASN CB C 13 38.338 0.046 . . . . . A 125 ASN CB . 25171 1 164 . 1 1 21 21 ASN N N 15 120.858 0.026 . . . . . A 125 ASN N . 25171 1 165 . 1 1 21 21 ASN ND2 N 15 112.836 0.011 . . . . . A 125 ASN ND2 . 25171 1 166 . 1 1 22 22 LEU H H 1 8.263 0.005 . . . . . A 126 LEU H . 25171 1 167 . 1 1 22 22 LEU HA H 1 4.347 0.004 . . . . . A 126 LEU HA . 25171 1 168 . 1 1 22 22 LEU HB2 H 1 1.747 0.003 . . . . . A 126 LEU QB . 25171 1 169 . 1 1 22 22 LEU HB3 H 1 1.747 0.003 . . . . . A 126 LEU HB3 . 25171 1 170 . 1 1 22 22 LEU HG H 1 1.702 0.000 . . . . . A 126 LEU HG . 25171 1 171 . 1 1 22 22 LEU HD11 H 1 0.933 0.004 . . . . . A 126 LEU HD11 . 25171 1 172 . 1 1 22 22 LEU HD12 H 1 0.933 0.004 . . . . . A 126 LEU HD12 . 25171 1 173 . 1 1 22 22 LEU HD13 H 1 0.933 0.004 . . . . . A 126 LEU HD13 . 25171 1 174 . 1 1 22 22 LEU HD21 H 1 0.998 0.006 . . . . . A 126 LEU HD21 . 25171 1 175 . 1 1 22 22 LEU HD22 H 1 0.998 0.006 . . . . . A 126 LEU HD22 . 25171 1 176 . 1 1 22 22 LEU HD23 H 1 0.998 0.006 . . . . . A 126 LEU HD23 . 25171 1 177 . 1 1 22 22 LEU C C 13 178.162 0.009 . . . . . A 126 LEU C . 25171 1 178 . 1 1 22 22 LEU CA C 13 56.604 0.043 . . . . . A 126 LEU CA . 25171 1 179 . 1 1 22 22 LEU CB C 13 41.973 0.076 . . . . . A 126 LEU CB . 25171 1 180 . 1 1 22 22 LEU CG C 13 26.990 0.000 . . . . . A 126 LEU CG . 25171 1 181 . 1 1 22 22 LEU CD1 C 13 23.914 0.130 . . . . . A 126 LEU CD1 . 25171 1 182 . 1 1 22 22 LEU CD2 C 13 24.772 0.125 . . . . . A 126 LEU CD2 . 25171 1 183 . 1 1 22 22 LEU N N 15 122.380 0.055 . . . . . A 126 LEU N . 25171 1 184 . 1 1 23 23 ARG H H 1 8.204 0.004 . . . . . A 127 ARG H . 25171 1 185 . 1 1 23 23 ARG HA H 1 4.169 0.005 . . . . . A 127 ARG HA . 25171 1 186 . 1 1 23 23 ARG HB2 H 1 1.919 0.000 . . . . . A 127 ARG QB . 25171 1 187 . 1 1 23 23 ARG HB3 H 1 1.919 0.000 . . . . . A 127 ARG HB3 . 25171 1 188 . 1 1 23 23 ARG HG2 H 1 1.654 0.001 . . . . . A 127 ARG HG2 . 25171 1 189 . 1 1 23 23 ARG HG3 H 1 1.766 0.001 . . . . . A 127 ARG HG3 . 25171 1 190 . 1 1 23 23 ARG HD2 H 1 3.241 0.000 . . . . . A 127 ARG QD . 25171 1 191 . 1 1 23 23 ARG HD3 H 1 3.241 0.000 . . . . . A 127 ARG HD3 . 25171 1 192 . 1 1 23 23 ARG C C 13 178.053 0.000 . . . . . A 127 ARG C . 25171 1 193 . 1 1 23 23 ARG CA C 13 58.354 0.058 . . . . . A 127 ARG CA . 25171 1 194 . 1 1 23 23 ARG CB C 13 30.245 0.117 . . . . . A 127 ARG CB . 25171 1 195 . 1 1 23 23 ARG CG C 13 27.477 0.075 . . . . . A 127 ARG CG . 25171 1 196 . 1 1 23 23 ARG CD C 13 43.335 0.000 . . . . . A 127 ARG CD . 25171 1 197 . 1 1 23 23 ARG N N 15 120.132 0.097 . . . . . A 127 ARG N . 25171 1 198 . 1 1 24 24 ARG H H 1 8.155 0.006 . . . . . A 128 ARG H . 25171 1 199 . 1 1 24 24 ARG C C 13 177.174 0.015 . . . . . A 128 ARG C . 25171 1 200 . 1 1 24 24 ARG CA C 13 57.879 0.036 . . . . . A 128 ARG CA . 25171 1 201 . 1 1 24 24 ARG CB C 13 30.243 0.054 . . . . . A 128 ARG CB . 25171 1 202 . 1 1 24 24 ARG N N 15 120.339 0.015 . . . . . A 128 ARG N . 25171 1 203 . 1 1 25 25 PHE H H 1 8.223 0.012 . . . . . A 129 PHE H . 25171 1 204 . 1 1 25 25 PHE HA H 1 4.459 0.003 . . . . . A 129 PHE HA . 25171 1 205 . 1 1 25 25 PHE HB2 H 1 3.239 0.003 . . . . . A 129 PHE HB2 . 25171 1 206 . 1 1 25 25 PHE HB3 H 1 3.187 0.007 . . . . . A 129 PHE HB3 . 25171 1 207 . 1 1 25 25 PHE HD1 H 1 7.205 0.007 . . . . . A 129 PHE HD1 . 25171 1 208 . 1 1 25 25 PHE HD2 H 1 7.205 0.007 . . . . . A 129 PHE HD2 . 25171 1 209 . 1 1 25 25 PHE C C 13 176.525 0.010 . . . . . A 129 PHE C . 25171 1 210 . 1 1 25 25 PHE CA C 13 59.647 0.040 . . . . . A 129 PHE CA . 25171 1 211 . 1 1 25 25 PHE CB C 13 39.427 0.065 . . . . . A 129 PHE CB . 25171 1 212 . 1 1 25 25 PHE N N 15 119.646 0.064 . . . . . A 129 PHE N . 25171 1 213 . 1 1 26 26 ARG H H 1 8.308 0.003 . . . . . A 130 ARG H . 25171 1 214 . 1 1 26 26 ARG HA H 1 4.083 0.003 . . . . . A 130 ARG HA . 25171 1 215 . 1 1 26 26 ARG HB2 H 1 1.915 0.000 . . . . . A 130 ARG QB . 25171 1 216 . 1 1 26 26 ARG HB3 H 1 1.915 0.000 . . . . . A 130 ARG HB3 . 25171 1 217 . 1 1 26 26 ARG HG2 H 1 1.721 0.000 . . . . . A 130 ARG HG2 . 25171 1 218 . 1 1 26 26 ARG HG3 H 1 1.841 0.008 . . . . . A 130 ARG HG3 . 25171 1 219 . 1 1 26 26 ARG HD2 H 1 3.248 0.004 . . . . . A 130 ARG QD . 25171 1 220 . 1 1 26 26 ARG HD3 H 1 3.248 0.004 . . . . . A 130 ARG HD3 . 25171 1 221 . 1 1 26 26 ARG C C 13 177.424 0.024 . . . . . A 130 ARG C . 25171 1 222 . 1 1 26 26 ARG CA C 13 58.173 0.124 . . . . . A 130 ARG CA . 25171 1 223 . 1 1 26 26 ARG CB C 13 30.399 0.026 . . . . . A 130 ARG CB . 25171 1 224 . 1 1 26 26 ARG CG C 13 27.376 0.033 . . . . . A 130 ARG CG . 25171 1 225 . 1 1 26 26 ARG CD C 13 43.590 0.000 . . . . . A 130 ARG CD . 25171 1 226 . 1 1 26 26 ARG N N 15 119.797 0.010 . . . . . A 130 ARG N . 25171 1 227 . 1 1 27 27 ALA H H 1 8.004 0.007 . . . . . A 131 ALA H . 25171 1 228 . 1 1 27 27 ALA HA H 1 4.197 0.001 . . . . . A 131 ALA HA . 25171 1 229 . 1 1 27 27 ALA HB1 H 1 1.450 0.012 . . . . . A 131 ALA HB1 . 25171 1 230 . 1 1 27 27 ALA HB2 H 1 1.450 0.012 . . . . . A 131 ALA HB2 . 25171 1 231 . 1 1 27 27 ALA HB3 H 1 1.450 0.012 . . . . . A 131 ALA HB3 . 25171 1 232 . 1 1 27 27 ALA C C 13 178.666 0.000 . . . . . A 131 ALA C . 25171 1 233 . 1 1 27 27 ALA CA C 13 53.785 0.015 . . . . . A 131 ALA CA . 25171 1 234 . 1 1 27 27 ALA CB C 13 18.819 0.076 . . . . . A 131 ALA CB . 25171 1 235 . 1 1 27 27 ALA N N 15 122.110 0.030 . . . . . A 131 ALA N . 25171 1 236 . 1 1 28 28 VAL H H 1 7.654 0.004 . . . . . A 132 VAL H . 25171 1 237 . 1 1 28 28 VAL HA H 1 3.801 0.003 . . . . . A 132 VAL HA . 25171 1 238 . 1 1 28 28 VAL HB H 1 1.681 0.001 . . . . . A 132 VAL HB . 25171 1 239 . 1 1 28 28 VAL HG11 H 1 0.306 0.020 . . . . . A 132 VAL HG11 . 25171 1 240 . 1 1 28 28 VAL HG12 H 1 0.306 0.020 . . . . . A 132 VAL HG12 . 25171 1 241 . 1 1 28 28 VAL HG13 H 1 0.306 0.020 . . . . . A 132 VAL HG13 . 25171 1 242 . 1 1 28 28 VAL HG21 H 1 0.785 0.006 . . . . . A 132 VAL HG21 . 25171 1 243 . 1 1 28 28 VAL HG22 H 1 0.785 0.006 . . . . . A 132 VAL HG22 . 25171 1 244 . 1 1 28 28 VAL HG23 H 1 0.785 0.006 . . . . . A 132 VAL HG23 . 25171 1 245 . 1 1 28 28 VAL C C 13 176.378 0.000 . . . . . A 132 VAL C . 25171 1 246 . 1 1 28 28 VAL CA C 13 63.895 0.031 . . . . . A 132 VAL CA . 25171 1 247 . 1 1 28 28 VAL CB C 13 32.538 0.021 . . . . . A 132 VAL CB . 25171 1 248 . 1 1 28 28 VAL CG1 C 13 20.750 0.049 . . . . . A 132 VAL CG1 . 25171 1 249 . 1 1 28 28 VAL CG2 C 13 21.543 0.091 . . . . . A 132 VAL CG2 . 25171 1 250 . 1 1 28 28 VAL N N 15 117.754 0.039 . . . . . A 132 VAL N . 25171 1 251 . 1 1 29 29 PHE H H 1 7.818 0.003 . . . . . A 133 PHE H . 25171 1 252 . 1 1 29 29 PHE HA H 1 4.774 0.017 . . . . . A 133 PHE HA . 25171 1 253 . 1 1 29 29 PHE HB2 H 1 2.587 0.009 . . . . . A 133 PHE HB2 . 25171 1 254 . 1 1 29 29 PHE HB3 H 1 3.184 0.010 . . . . . A 133 PHE HB3 . 25171 1 255 . 1 1 29 29 PHE HD1 H 1 7.101 0.008 . . . . . A 133 PHE HD1 . 25171 1 256 . 1 1 29 29 PHE HD2 H 1 7.101 0.008 . . . . . A 133 PHE HD2 . 25171 1 257 . 1 1 29 29 PHE HE1 H 1 6.728 0.004 . . . . . A 133 PHE HE1 . 25171 1 258 . 1 1 29 29 PHE HE2 H 1 6.728 0.004 . . . . . A 133 PHE HE2 . 25171 1 259 . 1 1 29 29 PHE HZ H 1 6.801 0.008 . . . . . A 133 PHE HZ . 25171 1 260 . 1 1 29 29 PHE C C 13 176.349 0.000 . . . . . A 133 PHE C . 25171 1 261 . 1 1 29 29 PHE CA C 13 57.983 0.022 . . . . . A 133 PHE CA . 25171 1 262 . 1 1 29 29 PHE CB C 13 39.576 0.057 . . . . . A 133 PHE CB . 25171 1 263 . 1 1 29 29 PHE N N 15 118.120 0.055 . . . . . A 133 PHE N . 25171 1 264 . 1 1 30 30 GLY H H 1 7.905 0.006 . . . . . A 134 GLY H . 25171 1 265 . 1 1 30 30 GLY HA2 H 1 4.022 0.001 . . . . . A 134 GLY HA2 . 25171 1 266 . 1 1 30 30 GLY HA3 H 1 4.022 0.001 . . . . . A 134 GLY HA3 . 25171 1 267 . 1 1 30 30 GLY C C 13 173.934 0.000 . . . . . A 134 GLY C . 25171 1 268 . 1 1 30 30 GLY CA C 13 45.505 0.011 . . . . . A 134 GLY CA . 25171 1 269 . 1 1 30 30 GLY N N 15 109.090 0.018 . . . . . A 134 GLY N . 25171 1 270 . 1 1 35 35 GLY C C 13 174.892 0.000 . . . . . A 139 GLY C . 25171 1 271 . 1 1 35 35 GLY CA C 13 45.451 0.000 . . . . . A 139 GLY CA . 25171 1 272 . 1 1 36 36 GLY H H 1 8.401 0.001 . . . . . A 140 GLY H . 25171 1 273 . 1 1 36 36 GLY C C 13 174.969 0.008 . . . . . A 140 GLY C . 25171 1 274 . 1 1 36 36 GLY CA C 13 45.581 0.000 . . . . . A 140 GLY CA . 25171 1 275 . 1 1 36 36 GLY N N 15 108.863 0.000 . . . . . A 140 GLY N . 25171 1 276 . 1 1 37 37 GLY H H 1 8.424 0.005 . . . . . A 141 GLY H . 25171 1 277 . 1 1 37 37 GLY C C 13 174.534 0.002 . . . . . A 141 GLY C . 25171 1 278 . 1 1 37 37 GLY CA C 13 45.395 0.004 . . . . . A 141 GLY CA . 25171 1 279 . 1 1 37 37 GLY N N 15 109.204 0.018 . . . . . A 141 GLY N . 25171 1 280 . 1 1 38 38 SER H H 1 8.430 0.002 . . . . . A 142 SER H . 25171 1 281 . 1 1 38 38 SER C C 13 175.397 0.007 . . . . . A 142 SER C . 25171 1 282 . 1 1 38 38 SER CA C 13 58.600 0.019 . . . . . A 142 SER CA . 25171 1 283 . 1 1 38 38 SER CB C 13 64.065 0.031 . . . . . A 142 SER CB . 25171 1 284 . 1 1 38 38 SER N N 15 115.877 0.006 . . . . . A 142 SER N . 25171 1 285 . 1 1 39 39 GLY H H 1 8.618 0.002 . . . . . A 143 GLY H . 25171 1 286 . 1 1 39 39 GLY C C 13 174.683 0.000 . . . . . A 143 GLY C . 25171 1 287 . 1 1 39 39 GLY CA C 13 45.663 0.003 . . . . . A 143 GLY CA . 25171 1 288 . 1 1 39 39 GLY N N 15 111.258 0.025 . . . . . A 143 GLY N . 25171 1 289 . 1 1 40 40 GLU H H 1 8.342 0.001 . . . . . A 144 GLU H . 25171 1 290 . 1 1 40 40 GLU C C 13 176.358 0.000 . . . . . A 144 GLU C . 25171 1 291 . 1 1 40 40 GLU CA C 13 56.928 0.022 . . . . . A 144 GLU CA . 25171 1 292 . 1 1 40 40 GLU CB C 13 30.236 0.012 . . . . . A 144 GLU CB . 25171 1 293 . 1 1 40 40 GLU N N 15 120.474 0.017 . . . . . A 144 GLU N . 25171 1 294 . 1 1 41 41 ASP H H 1 8.426 0.001 . . . . . A 145 ASP H . 25171 1 295 . 1 1 41 41 ASP HA H 1 4.622 0.003 . . . . . A 145 ASP HA . 25171 1 296 . 1 1 41 41 ASP C C 13 176.252 0.022 . . . . . A 145 ASP C . 25171 1 297 . 1 1 41 41 ASP CA C 13 54.444 0.057 . . . . . A 145 ASP CA . 25171 1 298 . 1 1 41 41 ASP CB C 13 41.180 0.002 . . . . . A 145 ASP CB . 25171 1 299 . 1 1 41 41 ASP N N 15 120.137 0.008 . . . . . A 145 ASP N . 25171 1 300 . 1 1 42 42 GLU H H 1 8.127 0.002 . . . . . A 146 GLU H . 25171 1 301 . 1 1 42 42 GLU C C 13 176.133 0.002 . . . . . A 146 GLU C . 25171 1 302 . 1 1 42 42 GLU CA C 13 56.865 0.000 . . . . . A 146 GLU CA . 25171 1 303 . 1 1 42 42 GLU CB C 13 30.614 0.000 . . . . . A 146 GLU CB . 25171 1 304 . 1 1 42 42 GLU N N 15 121.238 0.009 . . . . . A 146 GLU N . 25171 1 305 . 1 1 43 43 GLN H H 1 8.429 0.002 . . . . . A 147 GLN H . 25171 1 306 . 1 1 43 43 GLN C C 13 174.351 0.004 . . . . . A 147 GLN C . 25171 1 307 . 1 1 43 43 GLN CA C 13 55.588 0.006 . . . . . A 147 GLN CA . 25171 1 308 . 1 1 43 43 GLN CB C 13 30.121 0.000 . . . . . A 147 GLN CB . 25171 1 309 . 1 1 43 43 GLN N N 15 120.158 0.018 . . . . . A 147 GLN N . 25171 1 310 . 1 1 44 44 PHE H H 1 8.214 0.002 . . . . . A 148 PHE H . 25171 1 311 . 1 1 44 44 PHE HA H 1 4.806 0.010 . . . . . A 148 PHE HA . 25171 1 312 . 1 1 44 44 PHE HB2 H 1 3.135 0.002 . . . . . A 148 PHE HB2 . 25171 1 313 . 1 1 44 44 PHE HB3 H 1 2.635 0.002 . . . . . A 148 PHE HB3 . 25171 1 314 . 1 1 44 44 PHE HD1 H 1 7.157 0.003 . . . . . A 148 PHE HD1 . 25171 1 315 . 1 1 44 44 PHE HD2 H 1 7.157 0.003 . . . . . A 148 PHE HD2 . 25171 1 316 . 1 1 44 44 PHE HE1 H 1 6.705 0.004 . . . . . A 148 PHE HE1 . 25171 1 317 . 1 1 44 44 PHE HE2 H 1 6.705 0.004 . . . . . A 148 PHE HE2 . 25171 1 318 . 1 1 44 44 PHE HZ H 1 5.380 0.002 . . . . . A 148 PHE HZ . 25171 1 319 . 1 1 44 44 PHE C C 13 174.953 0.010 . . . . . A 148 PHE C . 25171 1 320 . 1 1 44 44 PHE CA C 13 57.655 0.066 . . . . . A 148 PHE CA . 25171 1 321 . 1 1 44 44 PHE CB C 13 41.237 0.028 . . . . . A 148 PHE CB . 25171 1 322 . 1 1 44 44 PHE N N 15 124.405 0.024 . . . . . A 148 PHE N . 25171 1 323 . 1 1 45 45 LEU H H 1 8.455 0.002 . . . . . A 149 LEU H . 25171 1 324 . 1 1 45 45 LEU HA H 1 4.367 0.002 . . . . . A 149 LEU HA . 25171 1 325 . 1 1 45 45 LEU HB2 H 1 1.468 0.006 . . . . . A 149 LEU HB2 . 25171 1 326 . 1 1 45 45 LEU HB3 H 1 1.558 0.000 . . . . . A 149 LEU HB3 . 25171 1 327 . 1 1 45 45 LEU HD11 H 1 0.773 0.001 . . . . . A 149 LEU HD11 . 25171 1 328 . 1 1 45 45 LEU HD12 H 1 0.773 0.001 . . . . . A 149 LEU HD12 . 25171 1 329 . 1 1 45 45 LEU HD13 H 1 0.773 0.001 . . . . . A 149 LEU HD13 . 25171 1 330 . 1 1 45 45 LEU HD21 H 1 0.877 0.006 . . . . . A 149 LEU HD21 . 25171 1 331 . 1 1 45 45 LEU HD22 H 1 0.877 0.006 . . . . . A 149 LEU HD22 . 25171 1 332 . 1 1 45 45 LEU HD23 H 1 0.877 0.006 . . . . . A 149 LEU HD23 . 25171 1 333 . 1 1 45 45 LEU CA C 13 54.702 0.030 . . . . . A 149 LEU CA . 25171 1 334 . 1 1 45 45 LEU CB C 13 42.641 0.024 . . . . . A 149 LEU CB . 25171 1 335 . 1 1 45 45 LEU CD1 C 13 22.812 0.032 . . . . . A 149 LEU CD1 . 25171 1 336 . 1 1 45 45 LEU CD2 C 13 25.106 0.102 . . . . . A 149 LEU CD2 . 25171 1 337 . 1 1 45 45 LEU N N 15 126.872 0.009 . . . . . A 149 LEU N . 25171 1 338 . 1 1 46 46 GLY HA2 H 1 4.323 0.004 . . . . . A 150 GLY HA2 . 25171 1 339 . 1 1 46 46 GLY HA3 H 1 3.039 0.006 . . . . . A 150 GLY HA3 . 25171 1 340 . 1 1 46 46 GLY C C 13 172.429 0.000 . . . . . A 150 GLY C . 25171 1 341 . 1 1 46 46 GLY CA C 13 43.491 0.191 . . . . . A 150 GLY CA . 25171 1 342 . 1 1 47 47 PHE H H 1 8.888 0.004 . . . . . A 151 PHE H . 25171 1 343 . 1 1 47 47 PHE HA H 1 4.719 0.009 . . . . . A 151 PHE HA . 25171 1 344 . 1 1 47 47 PHE HB2 H 1 2.805 0.003 . . . . . A 151 PHE HB2 . 25171 1 345 . 1 1 47 47 PHE HB3 H 1 3.372 0.009 . . . . . A 151 PHE HB3 . 25171 1 346 . 1 1 47 47 PHE HD1 H 1 7.609 0.011 . . . . . A 151 PHE HD1 . 25171 1 347 . 1 1 47 47 PHE HD2 H 1 7.609 0.011 . . . . . A 151 PHE HD2 . 25171 1 348 . 1 1 47 47 PHE HE1 H 1 7.334 0.001 . . . . . A 151 PHE HE1 . 25171 1 349 . 1 1 47 47 PHE HE2 H 1 7.334 0.001 . . . . . A 151 PHE HE2 . 25171 1 350 . 1 1 47 47 PHE HZ H 1 7.192 0.000 . . . . . A 151 PHE HZ . 25171 1 351 . 1 1 47 47 PHE C C 13 176.596 0.002 . . . . . A 151 PHE C . 25171 1 352 . 1 1 47 47 PHE CA C 13 58.665 0.063 . . . . . A 151 PHE CA . 25171 1 353 . 1 1 47 47 PHE CB C 13 41.023 0.031 . . . . . A 151 PHE CB . 25171 1 354 . 1 1 47 47 PHE N N 15 118.454 0.036 . . . . . A 151 PHE N . 25171 1 355 . 1 1 48 48 GLY H H 1 9.080 0.003 . . . . . A 152 GLY H . 25171 1 356 . 1 1 48 48 GLY HA2 H 1 3.991 0.016 . . . . . A 152 GLY HA2 . 25171 1 357 . 1 1 48 48 GLY HA3 H 1 4.354 0.012 . . . . . A 152 GLY HA3 . 25171 1 358 . 1 1 48 48 GLY C C 13 174.407 0.000 . . . . . A 152 GLY C . 25171 1 359 . 1 1 48 48 GLY CA C 13 44.785 0.058 . . . . . A 152 GLY CA . 25171 1 360 . 1 1 48 48 GLY N N 15 110.481 0.016 . . . . . A 152 GLY N . 25171 1 361 . 1 1 49 49 SER H H 1 8.554 0.002 . . . . . A 153 SER H . 25171 1 362 . 1 1 49 49 SER HA H 1 4.392 0.000 . . . . . A 153 SER HA . 25171 1 363 . 1 1 49 49 SER C C 13 174.796 0.000 . . . . . A 153 SER C . 25171 1 364 . 1 1 49 49 SER CA C 13 59.306 0.050 . . . . . A 153 SER CA . 25171 1 365 . 1 1 49 49 SER CB C 13 63.855 0.023 . . . . . A 153 SER CB . 25171 1 366 . 1 1 49 49 SER N N 15 115.860 0.001 . . . . . A 153 SER N . 25171 1 367 . 1 1 50 50 ASP H H 1 8.663 0.003 . . . . . A 154 ASP H . 25171 1 368 . 1 1 50 50 ASP HA H 1 4.643 0.009 . . . . . A 154 ASP HA . 25171 1 369 . 1 1 50 50 ASP HB2 H 1 2.744 0.000 . . . . . A 154 ASP HB2 . 25171 1 370 . 1 1 50 50 ASP HB3 H 1 2.646 0.002 . . . . . A 154 ASP HB3 . 25171 1 371 . 1 1 50 50 ASP C C 13 176.462 0.008 . . . . . A 154 ASP C . 25171 1 372 . 1 1 50 50 ASP CA C 13 54.625 0.066 . . . . . A 154 ASP CA . 25171 1 373 . 1 1 50 50 ASP CB C 13 40.944 0.075 . . . . . A 154 ASP CB . 25171 1 374 . 1 1 50 50 ASP N N 15 121.411 0.000 . . . . . A 154 ASP N . 25171 1 375 . 2 2 1 1 GLU H H 1 8.160 0.003 . . . . . . 329 GLU HN . 25171 1 376 . 2 2 1 1 GLU CA C 13 57.113 0.000 . . . . . . 329 GLU CA . 25171 1 377 . 2 2 1 1 GLU N N 15 120.255 0.031 . . . . . . 329 GLU N . 25171 1 378 . 2 2 5 5 VAL H H 1 8.189 0.002 . . . . . . 333 VAL HN . 25171 1 379 . 2 2 5 5 VAL C C 13 176.290 0.016 . . . . . . 333 VAL CO . 25171 1 380 . 2 2 5 5 VAL CA C 13 62.463 0.044 . . . . . . 333 VAL CA . 25171 1 381 . 2 2 5 5 VAL CB C 13 32.713 0.000 . . . . . . 333 VAL CB . 25171 1 382 . 2 2 5 5 VAL N N 15 121.376 0.048 . . . . . . 333 VAL N . 25171 1 383 . 2 2 6 6 ARG H H 1 8.485 0.003 . . . . . . 334 ARG HN . 25171 1 384 . 2 2 6 6 ARG C C 13 176.875 0.017 . . . . . . 334 ARG CO . 25171 1 385 . 2 2 6 6 ARG CA C 13 56.564 0.012 . . . . . . 334 ARG CA . 25171 1 386 . 2 2 6 6 ARG CB C 13 30.677 0.079 . . . . . . 334 ARG CB . 25171 1 387 . 2 2 6 6 ARG N N 15 125.191 0.007 . . . . . . 334 ARG N . 25171 1 388 . 2 2 7 7 GLY H H 1 8.469 0.001 . . . . . . 335 GLY HN . 25171 1 389 . 2 2 7 7 GLY HA2 H 1 3.997 0.000 . . . . . . 335 GLY QA . 25171 1 390 . 2 2 7 7 GLY HA3 H 1 3.997 0.000 . . . . . . 335 GLY QA . 25171 1 391 . 2 2 7 7 GLY C C 13 174.065 0.001 . . . . . . 335 GLY CO . 25171 1 392 . 2 2 7 7 GLY CA C 13 45.392 0.009 . . . . . . 335 GLY CA . 25171 1 393 . 2 2 7 7 GLY N N 15 110.077 0.087 . . . . . . 335 GLY N . 25171 1 394 . 2 2 8 8 SER H H 1 8.221 0.003 . . . . . . 336 SER HN . 25171 1 395 . 2 2 8 8 SER C C 13 174.654 0.008 . . . . . . 336 SER CO . 25171 1 396 . 2 2 8 8 SER CA C 13 58.322 0.025 . . . . . . 336 SER CA . 25171 1 397 . 2 2 8 8 SER CB C 13 64.075 0.006 . . . . . . 336 SER CB . 25171 1 398 . 2 2 8 8 SER N N 15 115.584 0.024 . . . . . . 336 SER N . 25171 1 399 . 2 2 9 9 VAL H H 1 8.194 0.003 . . . . . . 337 VAL HN . 25171 1 400 . 2 2 9 9 VAL HA H 1 4.153 0.000 . . . . . . 337 VAL HA . 25171 1 401 . 2 2 9 9 VAL C C 13 176.079 0.012 . . . . . . 337 VAL CO . 25171 1 402 . 2 2 9 9 VAL CA C 13 62.378 0.035 . . . . . . 337 VAL CA . 25171 1 403 . 2 2 9 9 VAL CB C 13 32.668 0.000 . . . . . . 337 VAL CB . 25171 1 404 . 2 2 9 9 VAL N N 15 121.889 0.004 . . . . . . 337 VAL N . 25171 1 405 . 2 2 10 10 LYS H H 1 8.367 0.002 . . . . . . 338 LYS HN . 25171 1 406 . 2 2 10 10 LYS HA H 1 4.318 0.000 . . . . . . 338 LYS HA . 25171 1 407 . 2 2 10 10 LYS C C 13 176.300 0.013 . . . . . . 338 LYS CO . 25171 1 408 . 2 2 10 10 LYS CA C 13 56.281 0.055 . . . . . . 338 LYS CA . 25171 1 409 . 2 2 10 10 LYS CB C 13 33.093 0.009 . . . . . . 338 LYS CB . 25171 1 410 . 2 2 10 10 LYS N N 15 125.359 0.002 . . . . . . 338 LYS N . 25171 1 411 . 2 2 11 11 LYS H H 1 8.375 0.001 . . . . . . 339 LYS HN . 25171 1 412 . 2 2 11 11 LYS C C 13 176.344 0.006 . . . . . . 339 LYS CO . 25171 1 413 . 2 2 11 11 LYS CA C 13 56.462 0.070 . . . . . . 339 LYS CA . 25171 1 414 . 2 2 11 11 LYS CB C 13 33.069 0.082 . . . . . . 339 LYS CB . 25171 1 415 . 2 2 11 11 LYS N N 15 123.696 0.008 . . . . . . 339 LYS N . 25171 1 416 . 2 2 12 12 VAL H H 1 8.239 0.001 . . . . . . 340 VAL HN . 25171 1 417 . 2 2 12 12 VAL C C 13 175.943 0.008 . . . . . . 340 VAL CO . 25171 1 418 . 2 2 12 12 VAL CA C 13 62.325 0.021 . . . . . . 340 VAL CA . 25171 1 419 . 2 2 12 12 VAL CB C 13 32.812 0.000 . . . . . . 340 VAL CB . 25171 1 420 . 2 2 12 12 VAL N N 15 122.356 0.017 . . . . . . 340 VAL N . 25171 1 421 . 2 2 13 13 GLU H H 1 8.497 0.003 . . . . . . 341 GLU HN . 25171 1 422 . 2 2 13 13 GLU C C 13 176.292 0.003 . . . . . . 341 GLU CO . 25171 1 423 . 2 2 13 13 GLU CA C 13 56.332 0.055 . . . . . . 341 GLU CA . 25171 1 424 . 2 2 13 13 GLU CB C 13 30.583 0.023 . . . . . . 341 GLU CB . 25171 1 425 . 2 2 13 13 GLU N N 15 125.454 0.031 . . . . . . 341 GLU N . 25171 1 426 . 2 2 14 14 LYS H H 1 8.454 0.001 . . . . . . 342 LYS HN . 25171 1 427 . 2 2 14 14 LYS C C 13 176.644 0.000 . . . . . . 342 LYS CO . 25171 1 428 . 2 2 14 14 LYS CA C 13 56.647 0.000 . . . . . . 342 LYS CA . 25171 1 429 . 2 2 14 14 LYS CB C 13 32.914 0.000 . . . . . . 342 LYS CB . 25171 1 430 . 2 2 14 14 LYS N N 15 123.485 0.010 . . . . . . 342 LYS N . 25171 1 431 . 2 2 20 20 MET HE1 H 1 2.156 0.004 . . . . . B 348 MET HE1 . 25171 1 432 . 2 2 20 20 MET HE2 H 1 2.156 0.004 . . . . . B 348 MET HE2 . 25171 1 433 . 2 2 20 20 MET HE3 H 1 2.156 0.004 . . . . . B 348 MET HE3 . 25171 1 434 . 2 2 20 20 MET C C 13 177.951 0.000 . . . . . B 348 MET C . 25171 1 435 . 2 2 20 20 MET CA C 13 57.221 0.000 . . . . . B 348 MET CA . 25171 1 436 . 2 2 20 20 MET CE C 13 16.842 0.047 . . . . . B 348 MET CE . 25171 1 437 . 2 2 21 21 ASP H H 1 8.331 0.002 . . . . . B 349 ASP H . 25171 1 438 . 2 2 21 21 ASP HA H 1 4.481 0.009 . . . . . B 349 ASP HA . 25171 1 439 . 2 2 21 21 ASP HB2 H 1 2.879 0.004 . . . . . B 349 ASP QB . 25171 1 440 . 2 2 21 21 ASP HB3 H 1 2.879 0.004 . . . . . B 349 ASP HB3 . 25171 1 441 . 2 2 21 21 ASP C C 13 178.176 0.015 . . . . . B 349 ASP C . 25171 1 442 . 2 2 21 21 ASP CA C 13 58.396 0.099 . . . . . B 349 ASP CA . 25171 1 443 . 2 2 21 21 ASP CB C 13 41.069 0.023 . . . . . B 349 ASP CB . 25171 1 444 . 2 2 21 21 ASP N N 15 118.627 0.027 . . . . . B 349 ASP N . 25171 1 445 . 2 2 22 22 SER H H 1 7.972 0.001 . . . . . B 350 SER H . 25171 1 446 . 2 2 22 22 SER C C 13 177.233 0.000 . . . . . B 350 SER C . 25171 1 447 . 2 2 22 22 SER CA C 13 61.600 0.047 . . . . . B 350 SER CA . 25171 1 448 . 2 2 22 22 SER CB C 13 62.831 0.035 . . . . . B 350 SER CB . 25171 1 449 . 2 2 22 22 SER N N 15 114.635 0.003 . . . . . B 350 SER N . 25171 1 450 . 2 2 23 23 ARG H H 1 8.080 0.001 . . . . . B 351 ARG H . 25171 1 451 . 2 2 23 23 ARG C C 13 178.423 0.000 . . . . . B 351 ARG C . 25171 1 452 . 2 2 23 23 ARG CA C 13 59.868 0.055 . . . . . B 351 ARG CA . 25171 1 453 . 2 2 23 23 ARG CB C 13 30.450 0.030 . . . . . B 351 ARG CB . 25171 1 454 . 2 2 23 23 ARG N N 15 123.819 0.007 . . . . . B 351 ARG N . 25171 1 455 . 2 2 24 24 LEU H H 1 8.453 0.006 . . . . . B 352 LEU H . 25171 1 456 . 2 2 24 24 LEU HA H 1 3.878 0.002 . . . . . B 352 LEU HA . 25171 1 457 . 2 2 24 24 LEU HB2 H 1 0.769 0.000 . . . . . B 352 LEU HB2 . 25171 1 458 . 2 2 24 24 LEU HB3 H 1 1.282 0.006 . . . . . B 352 LEU HB3 . 25171 1 459 . 2 2 24 24 LEU HG H 1 1.645 0.004 . . . . . B 352 LEU HG . 25171 1 460 . 2 2 24 24 LEU HD11 H 1 0.401 0.006 . . . . . B 352 LEU HD11 . 25171 1 461 . 2 2 24 24 LEU HD12 H 1 0.401 0.006 . . . . . B 352 LEU HD12 . 25171 1 462 . 2 2 24 24 LEU HD13 H 1 0.401 0.006 . . . . . B 352 LEU HD13 . 25171 1 463 . 2 2 24 24 LEU HD21 H 1 0.586 0.051 . . . . . B 352 LEU HD21 . 25171 1 464 . 2 2 24 24 LEU HD22 H 1 0.586 0.051 . . . . . B 352 LEU HD22 . 25171 1 465 . 2 2 24 24 LEU HD23 H 1 0.586 0.051 . . . . . B 352 LEU HD23 . 25171 1 466 . 2 2 24 24 LEU C C 13 179.593 0.009 . . . . . B 352 LEU C . 25171 1 467 . 2 2 24 24 LEU CA C 13 58.150 0.047 . . . . . B 352 LEU CA . 25171 1 468 . 2 2 24 24 LEU CB C 13 40.585 0.048 . . . . . B 352 LEU CB . 25171 1 469 . 2 2 24 24 LEU CG C 13 26.360 0.023 . . . . . B 352 LEU CG . 25171 1 470 . 2 2 24 24 LEU CD1 C 13 25.256 0.080 . . . . . B 352 LEU CD1 . 25171 1 471 . 2 2 24 24 LEU CD2 C 13 23.253 0.065 . . . . . B 352 LEU CD2 . 25171 1 472 . 2 2 24 24 LEU N N 15 118.203 0.063 . . . . . B 352 LEU N . 25171 1 473 . 2 2 25 25 GLN H H 1 8.216 0.002 . . . . . B 353 GLN H . 25171 1 474 . 2 2 25 25 GLN C C 13 179.060 0.019 . . . . . B 353 GLN C . 25171 1 475 . 2 2 25 25 GLN CA C 13 59.569 0.074 . . . . . B 353 GLN CA . 25171 1 476 . 2 2 25 25 GLN CB C 13 28.415 0.007 . . . . . B 353 GLN CB . 25171 1 477 . 2 2 25 25 GLN N N 15 119.230 0.012 . . . . . B 353 GLN N . 25171 1 478 . 2 2 26 26 ARG H H 1 8.003 0.001 . . . . . B 354 ARG H . 25171 1 479 . 2 2 26 26 ARG C C 13 178.698 0.014 . . . . . B 354 ARG C . 25171 1 480 . 2 2 26 26 ARG CA C 13 59.843 0.007 . . . . . B 354 ARG CA . 25171 1 481 . 2 2 26 26 ARG CB C 13 28.696 0.000 . . . . . B 354 ARG CB . 25171 1 482 . 2 2 26 26 ARG N N 15 121.899 0.006 . . . . . B 354 ARG N . 25171 1 483 . 2 2 27 27 ILE H H 1 8.422 0.002 . . . . . B 355 ILE H . 25171 1 484 . 2 2 27 27 ILE HA H 1 3.644 0.004 . . . . . B 355 ILE HA . 25171 1 485 . 2 2 27 27 ILE HB H 1 1.843 0.004 . . . . . B 355 ILE HB . 25171 1 486 . 2 2 27 27 ILE HG21 H 1 0.994 0.002 . . . . . B 355 ILE HG21 . 25171 1 487 . 2 2 27 27 ILE HG22 H 1 0.994 0.002 . . . . . B 355 ILE HG22 . 25171 1 488 . 2 2 27 27 ILE HG23 H 1 0.994 0.002 . . . . . B 355 ILE HG23 . 25171 1 489 . 2 2 27 27 ILE HD11 H 1 0.775 0.003 . . . . . B 355 ILE HD11 . 25171 1 490 . 2 2 27 27 ILE HD12 H 1 0.775 0.003 . . . . . B 355 ILE HD12 . 25171 1 491 . 2 2 27 27 ILE HD13 H 1 0.775 0.003 . . . . . B 355 ILE HD13 . 25171 1 492 . 2 2 27 27 ILE C C 13 177.577 0.013 . . . . . B 355 ILE C . 25171 1 493 . 2 2 27 27 ILE CA C 13 65.834 0.025 . . . . . B 355 ILE CA . 25171 1 494 . 2 2 27 27 ILE CB C 13 38.770 0.030 . . . . . B 355 ILE CB . 25171 1 495 . 2 2 27 27 ILE CG2 C 13 18.434 0.000 . . . . . B 355 ILE CG2 . 25171 1 496 . 2 2 27 27 ILE CD1 C 13 15.360 0.060 . . . . . B 355 ILE CD1 . 25171 1 497 . 2 2 27 27 ILE N N 15 120.680 0.000 . . . . . B 355 ILE N . 25171 1 498 . 2 2 28 28 HIS H H 1 8.433 0.004 . . . . . B 356 HIS H . 25171 1 499 . 2 2 28 28 HIS HA H 1 4.308 0.008 . . . . . B 356 HIS HA . 25171 1 500 . 2 2 28 28 HIS HB2 H 1 3.232 0.000 . . . . . B 356 HIS HB2 . 25171 1 501 . 2 2 28 28 HIS HB3 H 1 3.450 0.000 . . . . . B 356 HIS HB3 . 25171 1 502 . 2 2 28 28 HIS HD2 H 1 6.831 0.008 . . . . . B 356 HIS HD2 . 25171 1 503 . 2 2 28 28 HIS HE1 H 1 7.492 0.000 . . . . . B 356 HIS HE1 . 25171 1 504 . 2 2 28 28 HIS C C 13 176.540 0.004 . . . . . B 356 HIS C . 25171 1 505 . 2 2 28 28 HIS CA C 13 58.139 0.049 . . . . . B 356 HIS CA . 25171 1 506 . 2 2 28 28 HIS CB C 13 29.787 0.068 . . . . . B 356 HIS CB . 25171 1 507 . 2 2 28 28 HIS N N 15 117.991 0.000 . . . . . B 356 HIS N . 25171 1 508 . 2 2 29 29 ALA H H 1 7.946 0.013 . . . . . B 357 ALA H . 25171 1 509 . 2 2 29 29 ALA HA H 1 3.798 0.008 . . . . . B 357 ALA HA . 25171 1 510 . 2 2 29 29 ALA HB1 H 1 1.500 0.002 . . . . . B 357 ALA HB1 . 25171 1 511 . 2 2 29 29 ALA HB2 H 1 1.500 0.002 . . . . . B 357 ALA HB2 . 25171 1 512 . 2 2 29 29 ALA HB3 H 1 1.500 0.002 . . . . . B 357 ALA HB3 . 25171 1 513 . 2 2 29 29 ALA C C 13 179.774 0.001 . . . . . B 357 ALA C . 25171 1 514 . 2 2 29 29 ALA CA C 13 55.291 0.046 . . . . . B 357 ALA CA . 25171 1 515 . 2 2 29 29 ALA CB C 13 17.914 0.045 . . . . . B 357 ALA CB . 25171 1 516 . 2 2 29 29 ALA N N 15 119.467 0.000 . . . . . B 357 ALA N . 25171 1 517 . 2 2 30 30 GLU H H 1 8.514 0.003 . . . . . B 358 GLU H . 25171 1 518 . 2 2 30 30 GLU HA H 1 3.982 0.000 . . . . . B 358 GLU HA . 25171 1 519 . 2 2 30 30 GLU C C 13 180.058 0.032 . . . . . B 358 GLU C . 25171 1 520 . 2 2 30 30 GLU CA C 13 59.193 0.027 . . . . . B 358 GLU CA . 25171 1 521 . 2 2 30 30 GLU CB C 13 30.715 0.062 . . . . . B 358 GLU CB . 25171 1 522 . 2 2 30 30 GLU N N 15 118.450 0.014 . . . . . B 358 GLU N . 25171 1 523 . 2 2 31 31 ILE H H 1 8.331 0.002 . . . . . B 359 ILE H . 25171 1 524 . 2 2 31 31 ILE HA H 1 3.609 0.011 . . . . . B 359 ILE HA . 25171 1 525 . 2 2 31 31 ILE HB H 1 2.073 0.000 . . . . . B 359 ILE HB . 25171 1 526 . 2 2 31 31 ILE HG21 H 1 0.872 0.010 . . . . . B 359 ILE HG21 . 25171 1 527 . 2 2 31 31 ILE HG22 H 1 0.872 0.010 . . . . . B 359 ILE HG22 . 25171 1 528 . 2 2 31 31 ILE HG23 H 1 0.872 0.010 . . . . . B 359 ILE HG23 . 25171 1 529 . 2 2 31 31 ILE HD11 H 1 0.797 0.002 . . . . . B 359 ILE HD11 . 25171 1 530 . 2 2 31 31 ILE HD12 H 1 0.797 0.002 . . . . . B 359 ILE HD12 . 25171 1 531 . 2 2 31 31 ILE HD13 H 1 0.797 0.002 . . . . . B 359 ILE HD13 . 25171 1 532 . 2 2 31 31 ILE C C 13 177.094 0.007 . . . . . B 359 ILE C . 25171 1 533 . 2 2 31 31 ILE CA C 13 66.529 0.070 . . . . . B 359 ILE CA . 25171 1 534 . 2 2 31 31 ILE CB C 13 38.736 0.064 . . . . . B 359 ILE CB . 25171 1 535 . 2 2 31 31 ILE CG2 C 13 17.760 0.067 . . . . . B 359 ILE CG2 . 25171 1 536 . 2 2 31 31 ILE CD1 C 13 14.466 0.024 . . . . . B 359 ILE CD1 . 25171 1 537 . 2 2 31 31 ILE N N 15 121.439 0.030 . . . . . B 359 ILE N . 25171 1 538 . 2 2 32 32 LYS H H 1 7.755 0.002 . . . . . B 360 LYS H . 25171 1 539 . 2 2 32 32 LYS HA H 1 3.632 0.014 . . . . . B 360 LYS HA . 25171 1 540 . 2 2 32 32 LYS HB2 H 1 1.164 0.000 . . . . . B 360 LYS HB2 . 25171 1 541 . 2 2 32 32 LYS HB3 H 1 1.440 0.004 . . . . . B 360 LYS HB3 . 25171 1 542 . 2 2 32 32 LYS HG2 H 1 1.034 0.003 . . . . . B 360 LYS HG2 . 25171 1 543 . 2 2 32 32 LYS HG3 H 1 0.350 0.002 . . . . . B 360 LYS HG3 . 25171 1 544 . 2 2 32 32 LYS HD2 H 1 1.022 0.011 . . . . . B 360 LYS QD . 25171 1 545 . 2 2 32 32 LYS HD3 H 1 1.022 0.011 . . . . . B 360 LYS HD3 . 25171 1 546 . 2 2 32 32 LYS HE2 H 1 2.008 0.003 . . . . . B 360 LYS HE2 . 25171 1 547 . 2 2 32 32 LYS HE3 H 1 2.325 0.008 . . . . . B 360 LYS HE3 . 25171 1 548 . 2 2 32 32 LYS C C 13 178.858 0.000 . . . . . B 360 LYS C . 25171 1 549 . 2 2 32 32 LYS CA C 13 60.081 0.015 . . . . . B 360 LYS CA . 25171 1 550 . 2 2 32 32 LYS CB C 13 31.718 0.079 . . . . . B 360 LYS CB . 25171 1 551 . 2 2 32 32 LYS CG C 13 25.171 0.000 . . . . . B 360 LYS CG . 25171 1 552 . 2 2 32 32 LYS CD C 13 28.850 0.000 . . . . . B 360 LYS CD . 25171 1 553 . 2 2 32 32 LYS CE C 13 41.068 0.000 . . . . . B 360 LYS CE . 25171 1 554 . 2 2 32 32 LYS N N 15 115.680 0.000 . . . . . B 360 LYS N . 25171 1 555 . 2 2 33 33 ASN H H 1 8.588 0.004 . . . . . B 361 ASN H . 25171 1 556 . 2 2 33 33 ASN HA H 1 4.434 0.011 . . . . . B 361 ASN HA . 25171 1 557 . 2 2 33 33 ASN HB2 H 1 2.724 0.010 . . . . . B 361 ASN HB2 . 25171 1 558 . 2 2 33 33 ASN HB3 H 1 2.837 0.001 . . . . . B 361 ASN HB3 . 25171 1 559 . 2 2 33 33 ASN HD21 H 1 7.518 0.003 . . . . . B 361 ASN HD21 . 25171 1 560 . 2 2 33 33 ASN HD22 H 1 7.067 0.002 . . . . . B 361 ASN HD22 . 25171 1 561 . 2 2 33 33 ASN C C 13 178.124 0.000 . . . . . B 361 ASN C . 25171 1 562 . 2 2 33 33 ASN CA C 13 55.710 0.070 . . . . . B 361 ASN CA . 25171 1 563 . 2 2 33 33 ASN CB C 13 38.911 0.078 . . . . . B 361 ASN CB . 25171 1 564 . 2 2 33 33 ASN N N 15 114.261 0.001 . . . . . B 361 ASN N . 25171 1 565 . 2 2 33 33 ASN ND2 N 15 112.576 0.011 . . . . . B 361 ASN ND2 . 25171 1 566 . 2 2 34 34 SER H H 1 8.078 0.002 . . . . . B 362 SER H . 25171 1 567 . 2 2 34 34 SER C C 13 173.815 0.000 . . . . . B 362 SER C . 25171 1 568 . 2 2 34 34 SER CA C 13 61.793 0.048 . . . . . B 362 SER CA . 25171 1 569 . 2 2 34 34 SER CB C 13 63.074 0.015 . . . . . B 362 SER CB . 25171 1 570 . 2 2 34 34 SER N N 15 114.817 0.004 . . . . . B 362 SER N . 25171 1 571 . 2 2 35 35 LEU H H 1 7.153 0.003 . . . . . B 363 LEU H . 25171 1 572 . 2 2 35 35 LEU HA H 1 4.759 0.001 . . . . . B 363 LEU HA . 25171 1 573 . 2 2 35 35 LEU HB2 H 1 1.514 0.004 . . . . . B 363 LEU HB2 . 25171 1 574 . 2 2 35 35 LEU HB3 H 1 1.961 0.000 . . . . . B 363 LEU HB3 . 25171 1 575 . 2 2 35 35 LEU HG H 1 1.864 0.002 . . . . . B 363 LEU HG . 25171 1 576 . 2 2 35 35 LEU HD11 H 1 0.413 0.007 . . . . . B 363 LEU HD11 . 25171 1 577 . 2 2 35 35 LEU HD12 H 1 0.413 0.007 . . . . . B 363 LEU HD12 . 25171 1 578 . 2 2 35 35 LEU HD13 H 1 0.413 0.007 . . . . . B 363 LEU HD13 . 25171 1 579 . 2 2 35 35 LEU HD21 H 1 0.633 0.006 . . . . . B 363 LEU HD21 . 25171 1 580 . 2 2 35 35 LEU HD22 H 1 0.633 0.006 . . . . . B 363 LEU HD22 . 25171 1 581 . 2 2 35 35 LEU HD23 H 1 0.633 0.006 . . . . . B 363 LEU HD23 . 25171 1 582 . 2 2 35 35 LEU C C 13 175.574 0.002 . . . . . B 363 LEU C . 25171 1 583 . 2 2 35 35 LEU CA C 13 52.763 0.021 . . . . . B 363 LEU CA . 25171 1 584 . 2 2 35 35 LEU CB C 13 40.639 0.023 . . . . . B 363 LEU CB . 25171 1 585 . 2 2 35 35 LEU CG C 13 25.819 0.036 . . . . . B 363 LEU CG . 25171 1 586 . 2 2 35 35 LEU CD1 C 13 21.834 0.055 . . . . . B 363 LEU CD1 . 25171 1 587 . 2 2 35 35 LEU CD2 C 13 26.762 0.045 . . . . . B 363 LEU CD2 . 25171 1 588 . 2 2 35 35 LEU N N 15 119.878 0.000 . . . . . B 363 LEU N . 25171 1 589 . 2 2 36 36 LYS H H 1 6.877 0.010 . . . . . B 364 LYS H . 25171 1 590 . 2 2 36 36 LYS HA H 1 4.612 0.004 . . . . . B 364 LYS HA . 25171 1 591 . 2 2 36 36 LYS HB2 H 1 1.873 0.002 . . . . . B 364 LYS HB2 . 25171 1 592 . 2 2 36 36 LYS HB3 H 1 1.903 0.000 . . . . . B 364 LYS HB3 . 25171 1 593 . 2 2 36 36 LYS HG2 H 1 1.824 0.000 . . . . . B 364 LYS HG2 . 25171 1 594 . 2 2 36 36 LYS HG3 H 1 1.603 0.002 . . . . . B 364 LYS HG3 . 25171 1 595 . 2 2 36 36 LYS HD2 H 1 1.830 0.000 . . . . . B 364 LYS QD . 25171 1 596 . 2 2 36 36 LYS HD3 H 1 1.830 0.000 . . . . . B 364 LYS HD3 . 25171 1 597 . 2 2 36 36 LYS HE2 H 1 3.101 0.003 . . . . . B 364 LYS QE . 25171 1 598 . 2 2 36 36 LYS HE3 H 1 3.101 0.003 . . . . . B 364 LYS HE3 . 25171 1 599 . 2 2 36 36 LYS C C 13 177.861 0.002 . . . . . B 364 LYS C . 25171 1 600 . 2 2 36 36 LYS CA C 13 56.797 0.095 . . . . . B 364 LYS CA . 25171 1 601 . 2 2 36 36 LYS CB C 13 33.201 0.015 . . . . . B 364 LYS CB . 25171 1 602 . 2 2 36 36 LYS CG C 13 24.870 0.000 . . . . . B 364 LYS CG . 25171 1 603 . 2 2 36 36 LYS CD C 13 29.090 0.000 . . . . . B 364 LYS CD . 25171 1 604 . 2 2 36 36 LYS CE C 13 42.041 0.000 . . . . . B 364 LYS CE . 25171 1 605 . 2 2 36 36 LYS N N 15 121.730 0.015 . . . . . B 364 LYS N . 25171 1 606 . 2 2 37 37 ILE H H 1 8.457 0.006 . . . . . B 365 ILE H . 25171 1 607 . 2 2 37 37 ILE HA H 1 3.727 0.002 . . . . . B 365 ILE HA . 25171 1 608 . 2 2 37 37 ILE HB H 1 1.560 0.001 . . . . . B 365 ILE HB . 25171 1 609 . 2 2 37 37 ILE HG12 H 1 1.361 0.001 . . . . . B 365 ILE HG12 . 25171 1 610 . 2 2 37 37 ILE HG13 H 1 1.006 0.004 . . . . . B 365 ILE HG13 . 25171 1 611 . 2 2 37 37 ILE HG21 H 1 0.893 0.012 . . . . . B 365 ILE HG21 . 25171 1 612 . 2 2 37 37 ILE HG22 H 1 0.893 0.012 . . . . . B 365 ILE HG22 . 25171 1 613 . 2 2 37 37 ILE HG23 H 1 0.893 0.012 . . . . . B 365 ILE HG23 . 25171 1 614 . 2 2 37 37 ILE HD11 H 1 0.707 0.002 . . . . . B 365 ILE HD11 . 25171 1 615 . 2 2 37 37 ILE HD12 H 1 0.707 0.002 . . . . . B 365 ILE HD12 . 25171 1 616 . 2 2 37 37 ILE HD13 H 1 0.707 0.002 . . . . . B 365 ILE HD13 . 25171 1 617 . 2 2 37 37 ILE CA C 13 64.453 0.066 . . . . . B 365 ILE CA . 25171 1 618 . 2 2 37 37 ILE CB C 13 38.878 0.045 . . . . . B 365 ILE CB . 25171 1 619 . 2 2 37 37 ILE CG1 C 13 28.648 0.084 . . . . . B 365 ILE CG1 . 25171 1 620 . 2 2 37 37 ILE CG2 C 13 16.983 0.046 . . . . . B 365 ILE CG2 . 25171 1 621 . 2 2 37 37 ILE CD1 C 13 13.797 0.112 . . . . . B 365 ILE CD1 . 25171 1 622 . 2 2 37 37 ILE N N 15 123.784 0.019 . . . . . B 365 ILE N . 25171 1 623 . 2 2 39 39 ASN HA H 1 4.859 0.003 . . . . . B 367 ASN HA . 25171 1 624 . 2 2 39 39 ASN HB2 H 1 2.537 0.000 . . . . . B 367 ASN HB2 . 25171 1 625 . 2 2 39 39 ASN HB3 H 1 2.808 0.000 . . . . . B 367 ASN HB3 . 25171 1 626 . 2 2 39 39 ASN HD21 H 1 6.952 0.000 . . . . . B 367 ASN HD21 . 25171 1 627 . 2 2 39 39 ASN HD22 H 1 7.411 0.000 . . . . . B 367 ASN HD22 . 25171 1 628 . 2 2 39 39 ASN C C 13 173.020 0.000 . . . . . B 367 ASN C . 25171 1 629 . 2 2 39 39 ASN CA C 13 53.193 0.013 . . . . . B 367 ASN CA . 25171 1 630 . 2 2 39 39 ASN CB C 13 39.552 0.004 . . . . . B 367 ASN CB . 25171 1 631 . 2 2 39 39 ASN ND2 N 15 111.953 0.002 . . . . . B 367 ASN ND2 . 25171 1 632 . 2 2 40 40 LEU H H 1 8.316 0.002 . . . . . B 368 LEU H . 25171 1 633 . 2 2 40 40 LEU HA H 1 4.383 0.006 . . . . . B 368 LEU HA . 25171 1 634 . 2 2 40 40 LEU HB2 H 1 2.022 0.005 . . . . . B 368 LEU HB2 . 25171 1 635 . 2 2 40 40 LEU HB3 H 1 1.433 0.000 . . . . . B 368 LEU HB3 . 25171 1 636 . 2 2 40 40 LEU HG H 1 1.924 0.003 . . . . . B 368 LEU HG . 25171 1 637 . 2 2 40 40 LEU HD11 H 1 1.160 0.001 . . . . . B 368 LEU HD11 . 25171 1 638 . 2 2 40 40 LEU HD12 H 1 1.160 0.001 . . . . . B 368 LEU HD12 . 25171 1 639 . 2 2 40 40 LEU HD13 H 1 1.160 0.001 . . . . . B 368 LEU HD13 . 25171 1 640 . 2 2 40 40 LEU HD21 H 1 0.986 0.002 . . . . . B 368 LEU HD21 . 25171 1 641 . 2 2 40 40 LEU HD22 H 1 0.986 0.002 . . . . . B 368 LEU HD22 . 25171 1 642 . 2 2 40 40 LEU HD23 H 1 0.986 0.002 . . . . . B 368 LEU HD23 . 25171 1 643 . 2 2 40 40 LEU C C 13 177.767 0.018 . . . . . B 368 LEU C . 25171 1 644 . 2 2 40 40 LEU CA C 13 56.269 0.059 . . . . . B 368 LEU CA . 25171 1 645 . 2 2 40 40 LEU CB C 13 43.161 0.082 . . . . . B 368 LEU CB . 25171 1 646 . 2 2 40 40 LEU CG C 13 26.651 0.039 . . . . . B 368 LEU CG . 25171 1 647 . 2 2 40 40 LEU CD1 C 13 25.929 0.076 . . . . . B 368 LEU CD1 . 25171 1 648 . 2 2 40 40 LEU CD2 C 13 24.334 0.113 . . . . . B 368 LEU CD2 . 25171 1 649 . 2 2 40 40 LEU N N 15 122.339 0.001 . . . . . B 368 LEU N . 25171 1 650 . 2 2 41 41 ASP H H 1 9.504 0.005 . . . . . B 369 ASP H . 25171 1 651 . 2 2 41 41 ASP HA H 1 4.930 0.010 . . . . . B 369 ASP HA . 25171 1 652 . 2 2 41 41 ASP HB2 H 1 2.557 0.000 . . . . . B 369 ASP HB2 . 25171 1 653 . 2 2 41 41 ASP HB3 H 1 3.111 0.003 . . . . . B 369 ASP HB3 . 25171 1 654 . 2 2 41 41 ASP C C 13 175.649 0.010 . . . . . B 369 ASP C . 25171 1 655 . 2 2 41 41 ASP CA C 13 52.278 0.068 . . . . . B 369 ASP CA . 25171 1 656 . 2 2 41 41 ASP CB C 13 40.972 0.012 . . . . . B 369 ASP CB . 25171 1 657 . 2 2 41 41 ASP N N 15 126.114 0.000 . . . . . B 369 ASP N . 25171 1 658 . 2 2 42 42 VAL H H 1 8.429 0.002 . . . . . B 370 VAL H . 25171 1 659 . 2 2 42 42 VAL HA H 1 3.590 0.011 . . . . . B 370 VAL HA . 25171 1 660 . 2 2 42 42 VAL HB H 1 2.223 0.004 . . . . . B 370 VAL HB . 25171 1 661 . 2 2 42 42 VAL HG11 H 1 1.196 0.008 . . . . . B 370 VAL HG11 . 25171 1 662 . 2 2 42 42 VAL HG12 H 1 1.196 0.008 . . . . . B 370 VAL HG12 . 25171 1 663 . 2 2 42 42 VAL HG13 H 1 1.196 0.008 . . . . . B 370 VAL HG13 . 25171 1 664 . 2 2 42 42 VAL HG21 H 1 1.221 0.009 . . . . . B 370 VAL HG21 . 25171 1 665 . 2 2 42 42 VAL HG22 H 1 1.221 0.009 . . . . . B 370 VAL HG22 . 25171 1 666 . 2 2 42 42 VAL HG23 H 1 1.221 0.009 . . . . . B 370 VAL HG23 . 25171 1 667 . 2 2 42 42 VAL C C 13 177.920 0.002 . . . . . B 370 VAL C . 25171 1 668 . 2 2 42 42 VAL CA C 13 66.711 0.069 . . . . . B 370 VAL CA . 25171 1 669 . 2 2 42 42 VAL CB C 13 32.180 0.063 . . . . . B 370 VAL CB . 25171 1 670 . 2 2 42 42 VAL CG1 C 13 21.764 0.142 . . . . . B 370 VAL CG1 . 25171 1 671 . 2 2 42 42 VAL CG2 C 13 21.767 0.173 . . . . . B 370 VAL CG2 . 25171 1 672 . 2 2 42 42 VAL N N 15 122.092 0.005 . . . . . B 370 VAL N . 25171 1 673 . 2 2 43 43 ASN H H 1 8.671 0.005 . . . . . B 371 ASN H . 25171 1 674 . 2 2 43 43 ASN HA H 1 4.490 0.011 . . . . . B 371 ASN HA . 25171 1 675 . 2 2 43 43 ASN HB2 H 1 2.913 0.003 . . . . . B 371 ASN QB . 25171 1 676 . 2 2 43 43 ASN HB3 H 1 2.913 0.003 . . . . . B 371 ASN HB3 . 25171 1 677 . 2 2 43 43 ASN HD21 H 1 6.981 0.000 . . . . . B 371 ASN HD21 . 25171 1 678 . 2 2 43 43 ASN HD22 H 1 7.812 0.003 . . . . . B 371 ASN HD22 . 25171 1 679 . 2 2 43 43 ASN C C 13 177.745 0.015 . . . . . B 371 ASN C . 25171 1 680 . 2 2 43 43 ASN CA C 13 56.801 0.054 . . . . . B 371 ASN CA . 25171 1 681 . 2 2 43 43 ASN CB C 13 37.666 0.010 . . . . . B 371 ASN CB . 25171 1 682 . 2 2 43 43 ASN N N 15 117.831 0.057 . . . . . B 371 ASN N . 25171 1 683 . 2 2 43 43 ASN ND2 N 15 113.061 0.004 . . . . . B 371 ASN ND2 . 25171 1 684 . 2 2 44 44 ARG H H 1 7.642 0.003 . . . . . B 372 ARG H . 25171 1 685 . 2 2 44 44 ARG HA H 1 4.151 0.000 . . . . . B 372 ARG HA . 25171 1 686 . 2 2 44 44 ARG C C 13 178.532 0.029 . . . . . B 372 ARG C . 25171 1 687 . 2 2 44 44 ARG CA C 13 58.823 0.012 . . . . . B 372 ARG CA . 25171 1 688 . 2 2 44 44 ARG CB C 13 30.947 0.000 . . . . . B 372 ARG CB . 25171 1 689 . 2 2 44 44 ARG N N 15 121.692 0.010 . . . . . B 372 ARG N . 25171 1 690 . 2 2 45 45 CYS H H 1 7.781 0.002 . . . . . B 373 CYS H . 25171 1 691 . 2 2 45 45 CYS HA H 1 3.945 0.000 . . . . . B 373 CYS HA . 25171 1 692 . 2 2 45 45 CYS C C 13 176.908 0.047 . . . . . B 373 CYS C . 25171 1 693 . 2 2 45 45 CYS CA C 13 63.398 0.055 . . . . . B 373 CYS CA . 25171 1 694 . 2 2 45 45 CYS CB C 13 27.025 0.000 . . . . . B 373 CYS CB . 25171 1 695 . 2 2 45 45 CYS N N 15 120.342 0.003 . . . . . B 373 CYS N . 25171 1 696 . 2 2 46 46 ILE H H 1 8.492 0.002 . . . . . B 374 ILE H . 25171 1 697 . 2 2 46 46 ILE HA H 1 3.408 0.006 . . . . . B 374 ILE HA . 25171 1 698 . 2 2 46 46 ILE HB H 1 1.999 0.000 . . . . . B 374 ILE HB . 25171 1 699 . 2 2 46 46 ILE HG21 H 1 0.921 0.001 . . . . . B 374 ILE HG21 . 25171 1 700 . 2 2 46 46 ILE HG22 H 1 0.921 0.001 . . . . . B 374 ILE HG22 . 25171 1 701 . 2 2 46 46 ILE HG23 H 1 0.921 0.001 . . . . . B 374 ILE HG23 . 25171 1 702 . 2 2 46 46 ILE HD11 H 1 0.962 0.000 . . . . . B 374 ILE HD11 . 25171 1 703 . 2 2 46 46 ILE HD12 H 1 0.962 0.000 . . . . . B 374 ILE HD12 . 25171 1 704 . 2 2 46 46 ILE HD13 H 1 0.962 0.000 . . . . . B 374 ILE HD13 . 25171 1 705 . 2 2 46 46 ILE C C 13 176.938 0.006 . . . . . B 374 ILE C . 25171 1 706 . 2 2 46 46 ILE CA C 13 67.055 0.129 . . . . . B 374 ILE CA . 25171 1 707 . 2 2 46 46 ILE CB C 13 38.041 0.054 . . . . . B 374 ILE CB . 25171 1 708 . 2 2 46 46 ILE CG2 C 13 17.714 0.074 . . . . . B 374 ILE CG2 . 25171 1 709 . 2 2 46 46 ILE CD1 C 13 14.412 0.000 . . . . . B 374 ILE CD1 . 25171 1 710 . 2 2 46 46 ILE N N 15 119.478 0.000 . . . . . B 374 ILE N . 25171 1 711 . 2 2 47 47 GLU H H 1 7.953 0.001 . . . . . B 375 GLU H . 25171 1 712 . 2 2 47 47 GLU HA H 1 4.121 0.000 . . . . . B 375 GLU HA . 25171 1 713 . 2 2 47 47 GLU C C 13 179.817 0.007 . . . . . B 375 GLU C . 25171 1 714 . 2 2 47 47 GLU CA C 13 60.057 0.015 . . . . . B 375 GLU CA . 25171 1 715 . 2 2 47 47 GLU CB C 13 29.460 0.061 . . . . . B 375 GLU CB . 25171 1 716 . 2 2 47 47 GLU N N 15 117.825 0.000 . . . . . B 375 GLU N . 25171 1 717 . 2 2 48 48 ALA H H 1 7.583 0.007 . . . . . B 376 ALA H . 25171 1 718 . 2 2 48 48 ALA HA H 1 4.448 0.003 . . . . . B 376 ALA HA . 25171 1 719 . 2 2 48 48 ALA HB1 H 1 1.645 0.003 . . . . . B 376 ALA HB1 . 25171 1 720 . 2 2 48 48 ALA HB2 H 1 1.645 0.003 . . . . . B 376 ALA HB2 . 25171 1 721 . 2 2 48 48 ALA HB3 H 1 1.645 0.003 . . . . . B 376 ALA HB3 . 25171 1 722 . 2 2 48 48 ALA C C 13 179.538 0.001 . . . . . B 376 ALA C . 25171 1 723 . 2 2 48 48 ALA CA C 13 55.382 0.002 . . . . . B 376 ALA CA . 25171 1 724 . 2 2 48 48 ALA CB C 13 18.539 0.093 . . . . . B 376 ALA CB . 25171 1 725 . 2 2 48 48 ALA N N 15 123.026 0.008 . . . . . B 376 ALA N . 25171 1 726 . 2 2 49 49 LEU H H 1 8.533 0.005 . . . . . B 377 LEU H . 25171 1 727 . 2 2 49 49 LEU HA H 1 3.962 0.010 . . . . . B 377 LEU HA . 25171 1 728 . 2 2 49 49 LEU HB2 H 1 1.283 0.000 . . . . . B 377 LEU HB2 . 25171 1 729 . 2 2 49 49 LEU HB3 H 1 2.115 0.000 . . . . . B 377 LEU HB3 . 25171 1 730 . 2 2 49 49 LEU HG H 1 2.114 0.002 . . . . . B 377 LEU HG . 25171 1 731 . 2 2 49 49 LEU HD11 H 1 0.728 0.001 . . . . . B 377 LEU HD11 . 25171 1 732 . 2 2 49 49 LEU HD12 H 1 0.728 0.001 . . . . . B 377 LEU HD12 . 25171 1 733 . 2 2 49 49 LEU HD13 H 1 0.728 0.001 . . . . . B 377 LEU HD13 . 25171 1 734 . 2 2 49 49 LEU HD21 H 1 0.947 0.003 . . . . . B 377 LEU HD21 . 25171 1 735 . 2 2 49 49 LEU HD22 H 1 0.947 0.003 . . . . . B 377 LEU HD22 . 25171 1 736 . 2 2 49 49 LEU HD23 H 1 0.947 0.003 . . . . . B 377 LEU HD23 . 25171 1 737 . 2 2 49 49 LEU C C 13 179.916 0.001 . . . . . B 377 LEU C . 25171 1 738 . 2 2 49 49 LEU CA C 13 57.982 0.047 . . . . . B 377 LEU CA . 25171 1 739 . 2 2 49 49 LEU CB C 13 41.364 0.078 . . . . . B 377 LEU CB . 25171 1 740 . 2 2 49 49 LEU CG C 13 26.559 0.000 . . . . . B 377 LEU CG . 25171 1 741 . 2 2 49 49 LEU CD1 C 13 23.202 0.028 . . . . . B 377 LEU CD1 . 25171 1 742 . 2 2 49 49 LEU CD2 C 13 28.312 0.000 . . . . . B 377 LEU CD2 . 25171 1 743 . 2 2 49 49 LEU N N 15 118.311 0.076 . . . . . B 377 LEU N . 25171 1 744 . 2 2 50 50 ASP H H 1 9.021 0.009 . . . . . B 378 ASP H . 25171 1 745 . 2 2 50 50 ASP HA H 1 4.506 0.006 . . . . . B 378 ASP HA . 25171 1 746 . 2 2 50 50 ASP HB2 H 1 2.805 0.000 . . . . . B 378 ASP HB2 . 25171 1 747 . 2 2 50 50 ASP HB3 H 1 2.604 0.003 . . . . . B 378 ASP HB3 . 25171 1 748 . 2 2 50 50 ASP C C 13 179.525 0.004 . . . . . B 378 ASP C . 25171 1 749 . 2 2 50 50 ASP CA C 13 57.359 0.126 . . . . . B 378 ASP CA . 25171 1 750 . 2 2 50 50 ASP CB C 13 39.325 0.037 . . . . . B 378 ASP CB . 25171 1 751 . 2 2 50 50 ASP N N 15 121.597 0.013 . . . . . B 378 ASP N . 25171 1 752 . 2 2 51 51 GLU H H 1 8.182 0.004 . . . . . B 379 GLU H . 25171 1 753 . 2 2 51 51 GLU HA H 1 4.021 0.000 . . . . . B 379 GLU HA . 25171 1 754 . 2 2 51 51 GLU C C 13 180.514 0.001 . . . . . B 379 GLU C . 25171 1 755 . 2 2 51 51 GLU CA C 13 59.864 0.043 . . . . . B 379 GLU CA . 25171 1 756 . 2 2 51 51 GLU CB C 13 28.696 0.040 . . . . . B 379 GLU CB . 25171 1 757 . 2 2 51 51 GLU N N 15 123.555 0.025 . . . . . B 379 GLU N . 25171 1 758 . 2 2 52 52 LEU H H 1 8.574 0.002 . . . . . B 380 LEU H . 25171 1 759 . 2 2 52 52 LEU HA H 1 4.054 0.003 . . . . . B 380 LEU HA . 25171 1 760 . 2 2 52 52 LEU HB2 H 1 1.782 0.000 . . . . . B 380 LEU HB2 . 25171 1 761 . 2 2 52 52 LEU HB3 H 1 2.312 0.002 . . . . . B 380 LEU HB3 . 25171 1 762 . 2 2 52 52 LEU HG H 1 1.074 0.000 . . . . . B 380 LEU HG . 25171 1 763 . 2 2 52 52 LEU HD11 H 1 1.091 0.004 . . . . . B 380 LEU HD11 . 25171 1 764 . 2 2 52 52 LEU HD12 H 1 1.091 0.004 . . . . . B 380 LEU HD12 . 25171 1 765 . 2 2 52 52 LEU HD13 H 1 1.091 0.004 . . . . . B 380 LEU HD13 . 25171 1 766 . 2 2 52 52 LEU HD21 H 1 1.074 0.000 . . . . . B 380 LEU HD21 . 25171 1 767 . 2 2 52 52 LEU HD22 H 1 1.074 0.000 . . . . . B 380 LEU HD22 . 25171 1 768 . 2 2 52 52 LEU HD23 H 1 1.074 0.000 . . . . . B 380 LEU HD23 . 25171 1 769 . 2 2 52 52 LEU C C 13 178.766 0.003 . . . . . B 380 LEU C . 25171 1 770 . 2 2 52 52 LEU CA C 13 58.136 0.018 . . . . . B 380 LEU CA . 25171 1 771 . 2 2 52 52 LEU CB C 13 41.026 0.008 . . . . . B 380 LEU CB . 25171 1 772 . 2 2 52 52 LEU CG C 13 23.274 0.000 . . . . . B 380 LEU CG . 25171 1 773 . 2 2 52 52 LEU CD1 C 13 26.717 0.000 . . . . . B 380 LEU CD1 . 25171 1 774 . 2 2 52 52 LEU CD2 C 13 23.552 0.000 . . . . . B 380 LEU CD2 . 25171 1 775 . 2 2 52 52 LEU N N 15 121.448 0.002 . . . . . B 380 LEU N . 25171 1 776 . 2 2 53 53 ALA H H 1 8.421 0.004 . . . . . B 381 ALA H . 25171 1 777 . 2 2 53 53 ALA HA H 1 4.054 0.009 . . . . . B 381 ALA HA . 25171 1 778 . 2 2 53 53 ALA HB1 H 1 1.630 0.009 . . . . . B 381 ALA HB1 . 25171 1 779 . 2 2 53 53 ALA HB2 H 1 1.630 0.009 . . . . . B 381 ALA HB2 . 25171 1 780 . 2 2 53 53 ALA HB3 H 1 1.630 0.009 . . . . . B 381 ALA HB3 . 25171 1 781 . 2 2 53 53 ALA C C 13 177.825 0.004 . . . . . B 381 ALA C . 25171 1 782 . 2 2 53 53 ALA CA C 13 54.471 0.027 . . . . . B 381 ALA CA . 25171 1 783 . 2 2 53 53 ALA CB C 13 18.818 0.056 . . . . . B 381 ALA CB . 25171 1 784 . 2 2 53 53 ALA N N 15 119.033 0.023 . . . . . B 381 ALA N . 25171 1 785 . 2 2 54 54 SER H H 1 7.601 0.001 . . . . . B 382 SER H . 25171 1 786 . 2 2 54 54 SER HA H 1 4.258 0.209 . . . . . B 382 SER HA . 25171 1 787 . 2 2 54 54 SER C C 13 174.217 0.000 . . . . . B 382 SER C . 25171 1 788 . 2 2 54 54 SER CA C 13 59.429 0.021 . . . . . B 382 SER CA . 25171 1 789 . 2 2 54 54 SER CB C 13 64.529 0.090 . . . . . B 382 SER CB . 25171 1 790 . 2 2 54 54 SER N N 15 112.152 0.038 . . . . . B 382 SER N . 25171 1 791 . 2 2 55 55 LEU H H 1 7.338 0.006 . . . . . B 383 LEU H . 25171 1 792 . 2 2 55 55 LEU HA H 1 4.433 0.004 . . . . . B 383 LEU HA . 25171 1 793 . 2 2 55 55 LEU HB2 H 1 1.905 0.000 . . . . . B 383 LEU HB2 . 25171 1 794 . 2 2 55 55 LEU HB3 H 1 1.331 0.000 . . . . . B 383 LEU HB3 . 25171 1 795 . 2 2 55 55 LEU HG H 1 2.095 0.000 . . . . . B 383 LEU HG . 25171 1 796 . 2 2 55 55 LEU HD11 H 1 0.815 0.003 . . . . . B 383 LEU HD11 . 25171 1 797 . 2 2 55 55 LEU HD12 H 1 0.815 0.003 . . . . . B 383 LEU HD12 . 25171 1 798 . 2 2 55 55 LEU HD13 H 1 0.815 0.003 . . . . . B 383 LEU HD13 . 25171 1 799 . 2 2 55 55 LEU HD21 H 1 0.800 0.000 . . . . . B 383 LEU HD21 . 25171 1 800 . 2 2 55 55 LEU HD22 H 1 0.800 0.000 . . . . . B 383 LEU HD22 . 25171 1 801 . 2 2 55 55 LEU HD23 H 1 0.800 0.000 . . . . . B 383 LEU HD23 . 25171 1 802 . 2 2 55 55 LEU C C 13 177.035 0.011 . . . . . B 383 LEU C . 25171 1 803 . 2 2 55 55 LEU CA C 13 54.627 0.046 . . . . . B 383 LEU CA . 25171 1 804 . 2 2 55 55 LEU CB C 13 43.270 0.037 . . . . . B 383 LEU CB . 25171 1 805 . 2 2 55 55 LEU CG C 13 25.757 0.000 . . . . . B 383 LEU CG . 25171 1 806 . 2 2 55 55 LEU CD1 C 13 26.002 0.056 . . . . . B 383 LEU CD1 . 25171 1 807 . 2 2 55 55 LEU CD2 C 13 22.583 0.000 . . . . . B 383 LEU CD2 . 25171 1 808 . 2 2 55 55 LEU N N 15 122.278 0.043 . . . . . B 383 LEU N . 25171 1 809 . 2 2 56 56 GLN H H 1 8.684 0.002 . . . . . B 384 GLN H . 25171 1 810 . 2 2 56 56 GLN HA H 1 4.473 0.000 . . . . . B 384 GLN HA . 25171 1 811 . 2 2 56 56 GLN C C 13 174.444 0.009 . . . . . B 384 GLN C . 25171 1 812 . 2 2 56 56 GLN CA C 13 54.996 0.000 . . . . . B 384 GLN CA . 25171 1 813 . 2 2 56 56 GLN CB C 13 27.502 0.001 . . . . . B 384 GLN CB . 25171 1 814 . 2 2 56 56 GLN N N 15 123.864 0.000 . . . . . B 384 GLN N . 25171 1 815 . 2 2 57 57 VAL H H 1 7.866 0.003 . . . . . B 385 VAL H . 25171 1 816 . 2 2 57 57 VAL HA H 1 4.493 0.007 . . . . . B 385 VAL HA . 25171 1 817 . 2 2 57 57 VAL HB H 1 2.022 0.002 . . . . . B 385 VAL HB . 25171 1 818 . 2 2 57 57 VAL HG11 H 1 0.990 0.009 . . . . . B 385 VAL HG11 . 25171 1 819 . 2 2 57 57 VAL HG12 H 1 0.990 0.009 . . . . . B 385 VAL HG12 . 25171 1 820 . 2 2 57 57 VAL HG13 H 1 0.990 0.009 . . . . . B 385 VAL HG13 . 25171 1 821 . 2 2 57 57 VAL HG21 H 1 1.049 0.002 . . . . . B 385 VAL HG21 . 25171 1 822 . 2 2 57 57 VAL HG22 H 1 1.049 0.002 . . . . . B 385 VAL HG22 . 25171 1 823 . 2 2 57 57 VAL HG23 H 1 1.049 0.002 . . . . . B 385 VAL HG23 . 25171 1 824 . 2 2 57 57 VAL C C 13 176.111 0.004 . . . . . B 385 VAL C . 25171 1 825 . 2 2 57 57 VAL CA C 13 61.559 0.057 . . . . . B 385 VAL CA . 25171 1 826 . 2 2 57 57 VAL CB C 13 33.907 0.051 . . . . . B 385 VAL CB . 25171 1 827 . 2 2 57 57 VAL CG1 C 13 22.045 0.104 . . . . . B 385 VAL CG1 . 25171 1 828 . 2 2 57 57 VAL CG2 C 13 22.122 0.002 . . . . . B 385 VAL CG2 . 25171 1 829 . 2 2 57 57 VAL N N 15 123.751 0.043 . . . . . B 385 VAL N . 25171 1 830 . 2 2 58 58 THR H H 1 8.576 0.004 . . . . . B 386 THR H . 25171 1 831 . 2 2 58 58 THR HA H 1 4.605 0.010 . . . . . B 386 THR HA . 25171 1 832 . 2 2 58 58 THR HB H 1 4.765 0.010 . . . . . B 386 THR HB . 25171 1 833 . 2 2 58 58 THR HG21 H 1 1.319 0.008 . . . . . B 386 THR HG21 . 25171 1 834 . 2 2 58 58 THR HG22 H 1 1.319 0.008 . . . . . B 386 THR HG22 . 25171 1 835 . 2 2 58 58 THR HG23 H 1 1.319 0.008 . . . . . B 386 THR HG23 . 25171 1 836 . 2 2 58 58 THR C C 13 175.678 0.014 . . . . . B 386 THR C . 25171 1 837 . 2 2 58 58 THR CA C 13 60.317 0.026 . . . . . B 386 THR CA . 25171 1 838 . 2 2 58 58 THR CB C 13 71.617 0.081 . . . . . B 386 THR CB . 25171 1 839 . 2 2 58 58 THR CG2 C 13 21.651 0.094 . . . . . B 386 THR CG2 . 25171 1 840 . 2 2 58 58 THR N N 15 116.701 0.000 . . . . . B 386 THR N . 25171 1 841 . 2 2 59 59 MET H H 1 9.087 0.003 . . . . . B 387 MET H . 25171 1 842 . 2 2 59 59 MET HA H 1 3.960 0.000 . . . . . B 387 MET HA . 25171 1 843 . 2 2 59 59 MET HE1 H 1 1.905 0.000 . . . . . B 387 MET HE1 . 25171 1 844 . 2 2 59 59 MET HE2 H 1 1.905 0.000 . . . . . B 387 MET HE2 . 25171 1 845 . 2 2 59 59 MET HE3 H 1 1.905 0.000 . . . . . B 387 MET HE3 . 25171 1 846 . 2 2 59 59 MET C C 13 177.703 0.006 . . . . . B 387 MET C . 25171 1 847 . 2 2 59 59 MET CA C 13 59.522 0.110 . . . . . B 387 MET CA . 25171 1 848 . 2 2 59 59 MET CB C 13 32.392 0.000 . . . . . B 387 MET CB . 25171 1 849 . 2 2 59 59 MET CE C 13 17.598 0.000 . . . . . B 387 MET CE . 25171 1 850 . 2 2 59 59 MET N N 15 121.434 0.008 . . . . . B 387 MET N . 25171 1 851 . 2 2 60 60 GLN H H 1 8.400 0.003 . . . . . B 388 GLN H . 25171 1 852 . 2 2 60 60 GLN HA H 1 4.011 0.013 . . . . . B 388 GLN HA . 25171 1 853 . 2 2 60 60 GLN HB2 H 1 2.127 0.000 . . . . . B 388 GLN HB2 . 25171 1 854 . 2 2 60 60 GLN HB3 H 1 2.036 0.000 . . . . . B 388 GLN HB3 . 25171 1 855 . 2 2 60 60 GLN HG2 H 1 2.541 0.000 . . . . . B 388 GLN HG2 . 25171 1 856 . 2 2 60 60 GLN HG3 H 1 2.486 0.000 . . . . . B 388 GLN HG3 . 25171 1 857 . 2 2 60 60 GLN C C 13 179.191 0.004 . . . . . B 388 GLN C . 25171 1 858 . 2 2 60 60 GLN CA C 13 59.590 0.106 . . . . . B 388 GLN CA . 25171 1 859 . 2 2 60 60 GLN CB C 13 27.939 0.093 . . . . . B 388 GLN CB . 25171 1 860 . 2 2 60 60 GLN N N 15 116.699 0.000 . . . . . B 388 GLN N . 25171 1 861 . 2 2 61 61 GLN H H 1 7.590 0.002 . . . . . B 389 GLN H . 25171 1 862 . 2 2 61 61 GLN HA H 1 4.187 0.014 . . . . . B 389 GLN HA . 25171 1 863 . 2 2 61 61 GLN HB2 H 1 2.511 0.003 . . . . . B 389 GLN HB2 . 25171 1 864 . 2 2 61 61 GLN HB3 H 1 1.771 0.008 . . . . . B 389 GLN HB3 . 25171 1 865 . 2 2 61 61 GLN HG2 H 1 2.563 0.006 . . . . . B 389 GLN HG2 . 25171 1 866 . 2 2 61 61 GLN HG3 H 1 2.466 0.000 . . . . . B 389 GLN HG3 . 25171 1 867 . 2 2 61 61 GLN HE21 H 1 7.589 0.007 . . . . . B 389 GLN HE21 . 25171 1 868 . 2 2 61 61 GLN HE22 H 1 6.796 0.007 . . . . . B 389 GLN HE22 . 25171 1 869 . 2 2 61 61 GLN C C 13 178.745 0.006 . . . . . B 389 GLN C . 25171 1 870 . 2 2 61 61 GLN CA C 13 58.449 0.018 . . . . . B 389 GLN CA . 25171 1 871 . 2 2 61 61 GLN CB C 13 28.666 0.052 . . . . . B 389 GLN CB . 25171 1 872 . 2 2 61 61 GLN CG C 13 34.006 0.006 . . . . . B 389 GLN CG . 25171 1 873 . 2 2 61 61 GLN N N 15 117.906 0.000 . . . . . B 389 GLN N . 25171 1 874 . 2 2 61 61 GLN NE2 N 15 109.647 0.014 . . . . . B 389 GLN NE2 . 25171 1 875 . 2 2 62 62 ALA H H 1 8.661 0.005 . . . . . B 390 ALA H . 25171 1 876 . 2 2 62 62 ALA HA H 1 3.833 0.009 . . . . . B 390 ALA HA . 25171 1 877 . 2 2 62 62 ALA HB1 H 1 1.510 0.015 . . . . . B 390 ALA HB1 . 25171 1 878 . 2 2 62 62 ALA HB2 H 1 1.510 0.015 . . . . . B 390 ALA HB2 . 25171 1 879 . 2 2 62 62 ALA HB3 H 1 1.510 0.015 . . . . . B 390 ALA HB3 . 25171 1 880 . 2 2 62 62 ALA C C 13 178.772 0.001 . . . . . B 390 ALA C . 25171 1 881 . 2 2 62 62 ALA CA C 13 55.390 0.022 . . . . . B 390 ALA CA . 25171 1 882 . 2 2 62 62 ALA CB C 13 18.672 0.117 . . . . . B 390 ALA CB . 25171 1 883 . 2 2 62 62 ALA N N 15 121.384 0.031 . . . . . B 390 ALA N . 25171 1 884 . 2 2 63 63 GLN H H 1 7.966 0.004 . . . . . B 391 GLN H . 25171 1 885 . 2 2 63 63 GLN HA H 1 3.917 0.006 . . . . . B 391 GLN HA . 25171 1 886 . 2 2 63 63 GLN HB2 H 1 2.104 0.007 . . . . . B 391 GLN HB2 . 25171 1 887 . 2 2 63 63 GLN HB3 H 1 2.210 0.004 . . . . . B 391 GLN HB3 . 25171 1 888 . 2 2 63 63 GLN HG2 H 1 2.479 0.000 . . . . . B 391 GLN HG2 . 25171 1 889 . 2 2 63 63 GLN HG3 H 1 2.273 0.007 . . . . . B 391 GLN HG3 . 25171 1 890 . 2 2 63 63 GLN HE21 H 1 7.136 0.000 . . . . . B 391 GLN HE21 . 25171 1 891 . 2 2 63 63 GLN HE22 H 1 6.834 0.000 . . . . . B 391 GLN HE22 . 25171 1 892 . 2 2 63 63 GLN C C 13 177.063 0.001 . . . . . B 391 GLN C . 25171 1 893 . 2 2 63 63 GLN CA C 13 58.527 0.031 . . . . . B 391 GLN CA . 25171 1 894 . 2 2 63 63 GLN CB C 13 28.598 0.064 . . . . . B 391 GLN CB . 25171 1 895 . 2 2 63 63 GLN CG C 13 34.199 0.014 . . . . . B 391 GLN CG . 25171 1 896 . 2 2 63 63 GLN N N 15 113.290 0.012 . . . . . B 391 GLN N . 25171 1 897 . 2 2 63 63 GLN NE2 N 15 110.343 0.003 . . . . . B 391 GLN NE2 . 25171 1 898 . 2 2 64 64 LYS H H 1 7.414 0.002 . . . . . B 392 LYS H . 25171 1 899 . 2 2 64 64 LYS HA H 1 4.265 0.000 . . . . . B 392 LYS HA . 25171 1 900 . 2 2 64 64 LYS C C 13 176.703 0.010 . . . . . B 392 LYS C . 25171 1 901 . 2 2 64 64 LYS CA C 13 57.141 0.022 . . . . . B 392 LYS CA . 25171 1 902 . 2 2 64 64 LYS CB C 13 32.800 0.034 . . . . . B 392 LYS CB . 25171 1 903 . 2 2 64 64 LYS N N 15 116.857 0.022 . . . . . B 392 LYS N . 25171 1 904 . 2 2 65 65 HIS H H 1 7.860 0.001 . . . . . B 393 HIS H . 25171 1 905 . 2 2 65 65 HIS HA H 1 4.952 0.012 . . . . . B 393 HIS HA . 25171 1 906 . 2 2 65 65 HIS HB2 H 1 2.569 0.004 . . . . . B 393 HIS HB2 . 25171 1 907 . 2 2 65 65 HIS HB3 H 1 3.361 0.011 . . . . . B 393 HIS HB3 . 25171 1 908 . 2 2 65 65 HIS HD2 H 1 7.459 0.002 . . . . . B 393 HIS HD2 . 25171 1 909 . 2 2 65 65 HIS HE1 H 1 7.982 0.000 . . . . . B 393 HIS HE1 . 25171 1 910 . 2 2 65 65 HIS C C 13 176.014 0.000 . . . . . B 393 HIS C . 25171 1 911 . 2 2 65 65 HIS CA C 13 55.716 0.028 . . . . . B 393 HIS CA . 25171 1 912 . 2 2 65 65 HIS CB C 13 30.050 0.001 . . . . . B 393 HIS CB . 25171 1 913 . 2 2 65 65 HIS N N 15 119.845 0.021 . . . . . B 393 HIS N . 25171 1 914 . 2 2 66 66 THR H H 1 7.627 0.010 . . . . . B 394 THR H . 25171 1 915 . 2 2 66 66 THR HA H 1 3.805 0.001 . . . . . B 394 THR HA . 25171 1 916 . 2 2 66 66 THR HB H 1 4.144 0.011 . . . . . B 394 THR HB . 25171 1 917 . 2 2 66 66 THR HG21 H 1 1.259 0.003 . . . . . B 394 THR HG21 . 25171 1 918 . 2 2 66 66 THR HG22 H 1 1.259 0.003 . . . . . B 394 THR HG22 . 25171 1 919 . 2 2 66 66 THR HG23 H 1 1.259 0.003 . . . . . B 394 THR HG23 . 25171 1 920 . 2 2 66 66 THR C C 13 177.339 0.000 . . . . . B 394 THR C . 25171 1 921 . 2 2 66 66 THR CA C 13 65.991 0.066 . . . . . B 394 THR CA . 25171 1 922 . 2 2 66 66 THR CB C 13 68.361 0.025 . . . . . B 394 THR CB . 25171 1 923 . 2 2 66 66 THR CG2 C 13 22.404 0.058 . . . . . B 394 THR CG2 . 25171 1 924 . 2 2 66 66 THR N N 15 112.464 0.005 . . . . . B 394 THR N . 25171 1 925 . 2 2 67 67 GLU H H 1 9.011 0.011 . . . . . B 395 GLU H . 25171 1 926 . 2 2 67 67 GLU HA H 1 4.139 0.001 . . . . . B 395 GLU HA . 25171 1 927 . 2 2 67 67 GLU C C 13 178.419 0.016 . . . . . B 395 GLU C . 25171 1 928 . 2 2 67 67 GLU CA C 13 59.835 0.045 . . . . . B 395 GLU CA . 25171 1 929 . 2 2 67 67 GLU CB C 13 28.264 0.049 . . . . . B 395 GLU CB . 25171 1 930 . 2 2 67 67 GLU N N 15 122.455 0.033 . . . . . B 395 GLU N . 25171 1 931 . 2 2 68 68 MET H H 1 7.770 0.003 . . . . . B 396 MET H . 25171 1 932 . 2 2 68 68 MET HA H 1 4.295 0.002 . . . . . B 396 MET HA . 25171 1 933 . 2 2 68 68 MET HB2 H 1 1.703 0.002 . . . . . B 396 MET HB2 . 25171 1 934 . 2 2 68 68 MET HB3 H 1 1.830 0.000 . . . . . B 396 MET HB3 . 25171 1 935 . 2 2 68 68 MET HG2 H 1 1.556 0.003 . . . . . B 396 MET HG2 . 25171 1 936 . 2 2 68 68 MET HG3 H 1 1.484 0.001 . . . . . B 396 MET HG3 . 25171 1 937 . 2 2 68 68 MET HE1 H 1 1.799 0.000 . . . . . B 396 MET HE1 . 25171 1 938 . 2 2 68 68 MET HE2 H 1 1.799 0.000 . . . . . B 396 MET HE2 . 25171 1 939 . 2 2 68 68 MET HE3 H 1 1.799 0.000 . . . . . B 396 MET HE3 . 25171 1 940 . 2 2 68 68 MET C C 13 177.334 0.001 . . . . . B 396 MET C . 25171 1 941 . 2 2 68 68 MET CA C 13 58.104 0.019 . . . . . B 396 MET CA . 25171 1 942 . 2 2 68 68 MET CB C 13 32.535 0.014 . . . . . B 396 MET CB . 25171 1 943 . 2 2 68 68 MET CE C 13 17.314 0.000 . . . . . B 396 MET CE . 25171 1 944 . 2 2 68 68 MET N N 15 120.318 0.054 . . . . . B 396 MET N . 25171 1 945 . 2 2 69 69 ILE H H 1 7.356 0.009 . . . . . B 397 ILE H . 25171 1 946 . 2 2 69 69 ILE HA H 1 3.515 0.009 . . . . . B 397 ILE HA . 25171 1 947 . 2 2 69 69 ILE HB H 1 1.975 0.005 . . . . . B 397 ILE HB . 25171 1 948 . 2 2 69 69 ILE HG12 H 1 1.525 0.001 . . . . . B 397 ILE HG12 . 25171 1 949 . 2 2 69 69 ILE HG13 H 1 0.668 0.000 . . . . . B 397 ILE HG13 . 25171 1 950 . 2 2 69 69 ILE HG21 H 1 0.877 0.007 . . . . . B 397 ILE HG21 . 25171 1 951 . 2 2 69 69 ILE HG22 H 1 0.877 0.007 . . . . . B 397 ILE HG22 . 25171 1 952 . 2 2 69 69 ILE HG23 H 1 0.877 0.007 . . . . . B 397 ILE HG23 . 25171 1 953 . 2 2 69 69 ILE HD11 H 1 0.627 0.005 . . . . . B 397 ILE HD11 . 25171 1 954 . 2 2 69 69 ILE HD12 H 1 0.627 0.005 . . . . . B 397 ILE HD12 . 25171 1 955 . 2 2 69 69 ILE HD13 H 1 0.627 0.005 . . . . . B 397 ILE HD13 . 25171 1 956 . 2 2 69 69 ILE C C 13 177.510 0.005 . . . . . B 397 ILE C . 25171 1 957 . 2 2 69 69 ILE CA C 13 65.562 0.053 . . . . . B 397 ILE CA . 25171 1 958 . 2 2 69 69 ILE CB C 13 36.773 0.043 . . . . . B 397 ILE CB . 25171 1 959 . 2 2 69 69 ILE CG1 C 13 28.927 0.005 . . . . . B 397 ILE CG1 . 25171 1 960 . 2 2 69 69 ILE CG2 C 13 18.582 0.071 . . . . . B 397 ILE CG2 . 25171 1 961 . 2 2 69 69 ILE CD1 C 13 13.206 0.048 . . . . . B 397 ILE CD1 . 25171 1 962 . 2 2 69 69 ILE N N 15 119.461 0.000 . . . . . B 397 ILE N . 25171 1 963 . 2 2 70 70 THR H H 1 7.951 0.009 . . . . . B 398 THR H . 25171 1 964 . 2 2 70 70 THR HA H 1 3.899 0.001 . . . . . B 398 THR HA . 25171 1 965 . 2 2 70 70 THR HB H 1 4.415 0.001 . . . . . B 398 THR HB . 25171 1 966 . 2 2 70 70 THR HG21 H 1 1.298 0.000 . . . . . B 398 THR HG21 . 25171 1 967 . 2 2 70 70 THR HG22 H 1 1.298 0.000 . . . . . B 398 THR HG22 . 25171 1 968 . 2 2 70 70 THR HG23 H 1 1.298 0.000 . . . . . B 398 THR HG23 . 25171 1 969 . 2 2 70 70 THR CA C 13 66.990 0.060 . . . . . B 398 THR CA . 25171 1 970 . 2 2 70 70 THR CB C 13 68.332 0.030 . . . . . B 398 THR CB . 25171 1 971 . 2 2 70 70 THR CG2 C 13 22.371 0.055 . . . . . B 398 THR CG2 . 25171 1 972 . 2 2 70 70 THR N N 15 117.140 0.000 . . . . . B 398 THR N . 25171 1 973 . 2 2 71 71 THR H H 1 8.113 0.002 . . . . . B 399 THR H . 25171 1 974 . 2 2 71 71 THR HA H 1 3.883 0.002 . . . . . B 399 THR HA . 25171 1 975 . 2 2 71 71 THR HB H 1 4.502 0.003 . . . . . B 399 THR HB . 25171 1 976 . 2 2 71 71 THR HG21 H 1 1.290 0.009 . . . . . B 399 THR HG21 . 25171 1 977 . 2 2 71 71 THR HG22 H 1 1.290 0.009 . . . . . B 399 THR HG22 . 25171 1 978 . 2 2 71 71 THR HG23 H 1 1.290 0.009 . . . . . B 399 THR HG23 . 25171 1 979 . 2 2 71 71 THR CA C 13 67.299 0.159 . . . . . B 399 THR CA . 25171 1 980 . 2 2 71 71 THR CB C 13 66.882 0.000 . . . . . B 399 THR CB . 25171 1 981 . 2 2 71 71 THR CG2 C 13 24.124 0.053 . . . . . B 399 THR CG2 . 25171 1 982 . 2 2 71 71 THR N N 15 121.758 0.001 . . . . . B 399 THR N . 25171 1 983 . 2 2 72 72 LEU HA H 1 3.938 0.019 . . . . . B 400 LEU HA . 25171 1 984 . 2 2 72 72 LEU HB2 H 1 1.493 0.008 . . . . . B 400 LEU HB2 . 25171 1 985 . 2 2 72 72 LEU HB3 H 1 2.349 0.004 . . . . . B 400 LEU HB3 . 25171 1 986 . 2 2 72 72 LEU HG H 1 2.018 0.001 . . . . . B 400 LEU HG . 25171 1 987 . 2 2 72 72 LEU HD11 H 1 0.953 0.007 . . . . . B 400 LEU HD11 . 25171 1 988 . 2 2 72 72 LEU HD12 H 1 0.953 0.007 . . . . . B 400 LEU HD12 . 25171 1 989 . 2 2 72 72 LEU HD13 H 1 0.953 0.007 . . . . . B 400 LEU HD13 . 25171 1 990 . 2 2 72 72 LEU HD21 H 1 0.850 0.001 . . . . . B 400 LEU HD21 . 25171 1 991 . 2 2 72 72 LEU HD22 H 1 0.850 0.001 . . . . . B 400 LEU HD22 . 25171 1 992 . 2 2 72 72 LEU HD23 H 1 0.850 0.001 . . . . . B 400 LEU HD23 . 25171 1 993 . 2 2 72 72 LEU C C 13 177.118 0.000 . . . . . B 400 LEU C . 25171 1 994 . 2 2 72 72 LEU CA C 13 57.990 0.000 . . . . . B 400 LEU CA . 25171 1 995 . 2 2 72 72 LEU CB C 13 42.226 0.202 . . . . . B 400 LEU CB . 25171 1 996 . 2 2 72 72 LEU CG C 13 26.366 0.000 . . . . . B 400 LEU CG . 25171 1 997 . 2 2 72 72 LEU CD1 C 13 26.352 0.185 . . . . . B 400 LEU CD1 . 25171 1 998 . 2 2 72 72 LEU CD2 C 13 22.669 0.056 . . . . . B 400 LEU CD2 . 25171 1 999 . 2 2 73 73 LYS H H 1 8.119 0.006 . . . . . B 401 LYS H . 25171 1 1000 . 2 2 73 73 LYS HA H 1 2.945 0.007 . . . . . B 401 LYS HA . 25171 1 1001 . 2 2 73 73 LYS HB2 H 1 2.085 0.001 . . . . . B 401 LYS HB2 . 25171 1 1002 . 2 2 73 73 LYS HB3 H 1 1.742 0.001 . . . . . B 401 LYS HB3 . 25171 1 1003 . 2 2 73 73 LYS HG2 H 1 1.107 0.000 . . . . . B 401 LYS HG2 . 25171 1 1004 . 2 2 73 73 LYS HG3 H 1 0.627 0.000 . . . . . B 401 LYS HG3 . 25171 1 1005 . 2 2 73 73 LYS C C 13 179.921 0.005 . . . . . B 401 LYS C . 25171 1 1006 . 2 2 73 73 LYS CA C 13 59.270 0.076 . . . . . B 401 LYS CA . 25171 1 1007 . 2 2 73 73 LYS CB C 13 33.244 0.115 . . . . . B 401 LYS CB . 25171 1 1008 . 2 2 73 73 LYS CG C 13 25.346 0.000 . . . . . B 401 LYS CG . 25171 1 1009 . 2 2 73 73 LYS N N 15 116.354 0.022 . . . . . B 401 LYS N . 25171 1 1010 . 2 2 74 74 LYS H H 1 7.663 0.003 . . . . . B 402 LYS H . 25171 1 1011 . 2 2 74 74 LYS HA H 1 3.885 0.002 . . . . . B 402 LYS HA . 25171 1 1012 . 2 2 74 74 LYS HB2 H 1 1.703 0.003 . . . . . B 402 LYS HB2 . 25171 1 1013 . 2 2 74 74 LYS HB3 H 1 1.141 0.002 . . . . . B 402 LYS HB3 . 25171 1 1014 . 2 2 74 74 LYS HG2 H 1 1.141 0.000 . . . . . B 402 LYS HG2 . 25171 1 1015 . 2 2 74 74 LYS HG3 H 1 1.413 0.002 . . . . . B 402 LYS HG3 . 25171 1 1016 . 2 2 74 74 LYS HD2 H 1 1.591 0.003 . . . . . B 402 LYS QD . 25171 1 1017 . 2 2 74 74 LYS HD3 H 1 1.591 0.003 . . . . . B 402 LYS HD3 . 25171 1 1018 . 2 2 74 74 LYS HE2 H 1 2.901 0.000 . . . . . B 402 LYS HE2 . 25171 1 1019 . 2 2 74 74 LYS HE3 H 1 2.964 0.000 . . . . . B 402 LYS HE3 . 25171 1 1020 . 2 2 74 74 LYS C C 13 179.158 0.003 . . . . . B 402 LYS C . 25171 1 1021 . 2 2 74 74 LYS CA C 13 58.936 0.157 . . . . . B 402 LYS CA . 25171 1 1022 . 2 2 74 74 LYS CB C 13 32.705 0.004 . . . . . B 402 LYS CB . 25171 1 1023 . 2 2 74 74 LYS CG C 13 25.021 0.022 . . . . . B 402 LYS CG . 25171 1 1024 . 2 2 74 74 LYS CD C 13 29.755 0.000 . . . . . B 402 LYS CD . 25171 1 1025 . 2 2 74 74 LYS CE C 13 42.006 0.000 . . . . . B 402 LYS CE . 25171 1 1026 . 2 2 74 74 LYS N N 15 117.763 0.014 . . . . . B 402 LYS N . 25171 1 1027 . 2 2 75 75 ILE H H 1 7.610 0.003 . . . . . B 403 ILE H . 25171 1 1028 . 2 2 75 75 ILE HA H 1 3.796 0.012 . . . . . B 403 ILE HA . 25171 1 1029 . 2 2 75 75 ILE HB H 1 1.972 0.007 . . . . . B 403 ILE HB . 25171 1 1030 . 2 2 75 75 ILE HG12 H 1 1.596 0.000 . . . . . B 403 ILE QG1 . 25171 1 1031 . 2 2 75 75 ILE HG13 H 1 1.596 0.000 . . . . . B 403 ILE HG13 . 25171 1 1032 . 2 2 75 75 ILE HG21 H 1 0.769 0.007 . . . . . B 403 ILE HG21 . 25171 1 1033 . 2 2 75 75 ILE HG22 H 1 0.769 0.007 . . . . . B 403 ILE HG22 . 25171 1 1034 . 2 2 75 75 ILE HG23 H 1 0.769 0.007 . . . . . B 403 ILE HG23 . 25171 1 1035 . 2 2 75 75 ILE HD11 H 1 0.751 0.003 . . . . . B 403 ILE HD11 . 25171 1 1036 . 2 2 75 75 ILE HD12 H 1 0.751 0.003 . . . . . B 403 ILE HD12 . 25171 1 1037 . 2 2 75 75 ILE HD13 H 1 0.751 0.003 . . . . . B 403 ILE HD13 . 25171 1 1038 . 2 2 75 75 ILE C C 13 175.765 0.003 . . . . . B 403 ILE C . 25171 1 1039 . 2 2 75 75 ILE CA C 13 64.234 0.050 . . . . . B 403 ILE CA . 25171 1 1040 . 2 2 75 75 ILE CB C 13 36.875 0.047 . . . . . B 403 ILE CB . 25171 1 1041 . 2 2 75 75 ILE CG1 C 13 25.421 0.000 . . . . . B 403 ILE CG1 . 25171 1 1042 . 2 2 75 75 ILE CG2 C 13 17.810 0.030 . . . . . B 403 ILE CG2 . 25171 1 1043 . 2 2 75 75 ILE CD1 C 13 14.928 0.061 . . . . . B 403 ILE CD1 . 25171 1 1044 . 2 2 75 75 ILE N N 15 111.366 0.026 . . . . . B 403 ILE N . 25171 1 1045 . 2 2 76 76 ARG H H 1 7.084 0.003 . . . . . B 404 ARG H . 25171 1 1046 . 2 2 76 76 ARG HA H 1 4.261 0.000 . . . . . B 404 ARG HA . 25171 1 1047 . 2 2 76 76 ARG C C 13 176.922 0.006 . . . . . B 404 ARG C . 25171 1 1048 . 2 2 76 76 ARG CA C 13 58.874 0.004 . . . . . B 404 ARG CA . 25171 1 1049 . 2 2 76 76 ARG CB C 13 30.980 0.056 . . . . . B 404 ARG CB . 25171 1 1050 . 2 2 76 76 ARG N N 15 119.481 0.033 . . . . . B 404 ARG N . 25171 1 1051 . 2 2 77 77 ARG H H 1 7.226 0.003 . . . . . B 405 ARG H . 25171 1 1052 . 2 2 77 77 ARG HA H 1 4.594 0.008 . . . . . B 405 ARG HA . 25171 1 1053 . 2 2 77 77 ARG HB2 H 1 2.431 0.003 . . . . . B 405 ARG HB2 . 25171 1 1054 . 2 2 77 77 ARG HB3 H 1 1.833 0.001 . . . . . B 405 ARG HB3 . 25171 1 1055 . 2 2 77 77 ARG HG2 H 1 1.723 0.001 . . . . . B 405 ARG HG2 . 25171 1 1056 . 2 2 77 77 ARG HG3 H 1 1.557 0.002 . . . . . B 405 ARG HG3 . 25171 1 1057 . 2 2 77 77 ARG HD2 H 1 3.206 0.001 . . . . . B 405 ARG QD . 25171 1 1058 . 2 2 77 77 ARG HD3 H 1 3.206 0.001 . . . . . B 405 ARG HD3 . 25171 1 1059 . 2 2 77 77 ARG C C 13 176.624 0.009 . . . . . B 405 ARG C . 25171 1 1060 . 2 2 77 77 ARG CA C 13 53.826 0.083 . . . . . B 405 ARG CA . 25171 1 1061 . 2 2 77 77 ARG CB C 13 29.137 0.117 . . . . . B 405 ARG CB . 25171 1 1062 . 2 2 77 77 ARG CG C 13 27.337 0.064 . . . . . B 405 ARG CG . 25171 1 1063 . 2 2 77 77 ARG CD C 13 42.838 0.000 . . . . . B 405 ARG CD . 25171 1 1064 . 2 2 77 77 ARG N N 15 111.827 0.007 . . . . . B 405 ARG N . 25171 1 1065 . 2 2 78 78 PHE H H 1 7.795 0.004 . . . . . B 406 PHE H . 25171 1 1066 . 2 2 78 78 PHE HA H 1 5.407 0.022 . . . . . B 406 PHE HA . 25171 1 1067 . 2 2 78 78 PHE HB2 H 1 3.073 0.016 . . . . . B 406 PHE HB2 . 25171 1 1068 . 2 2 78 78 PHE HB3 H 1 3.569 0.023 . . . . . B 406 PHE HB3 . 25171 1 1069 . 2 2 78 78 PHE HD1 H 1 7.431 0.013 . . . . . B 406 PHE HD1 . 25171 1 1070 . 2 2 78 78 PHE HD2 H 1 7.431 0.013 . . . . . B 406 PHE HD2 . 25171 1 1071 . 2 2 78 78 PHE HE1 H 1 7.155 0.014 . . . . . B 406 PHE HE1 . 25171 1 1072 . 2 2 78 78 PHE HE2 H 1 7.155 0.014 . . . . . B 406 PHE HE2 . 25171 1 1073 . 2 2 78 78 PHE HZ H 1 7.214 0.001 . . . . . B 406 PHE HZ . 25171 1 1074 . 2 2 78 78 PHE C C 13 172.968 0.008 . . . . . B 406 PHE C . 25171 1 1075 . 2 2 78 78 PHE CA C 13 56.652 0.026 . . . . . B 406 PHE CA . 25171 1 1076 . 2 2 78 78 PHE CB C 13 38.653 0.054 . . . . . B 406 PHE CB . 25171 1 1077 . 2 2 78 78 PHE N N 15 123.479 0.018 . . . . . B 406 PHE N . 25171 1 1078 . 2 2 79 79 LYS H H 1 7.739 0.004 . . . . . B 407 LYS H . 25171 1 1079 . 2 2 79 79 LYS HA H 1 4.266 0.001 . . . . . B 407 LYS HA . 25171 1 1080 . 2 2 79 79 LYS C C 13 176.503 0.003 . . . . . B 407 LYS C . 25171 1 1081 . 2 2 79 79 LYS CA C 13 58.239 0.013 . . . . . B 407 LYS CA . 25171 1 1082 . 2 2 79 79 LYS CB C 13 32.526 0.037 . . . . . B 407 LYS CB . 25171 1 1083 . 2 2 79 79 LYS N N 15 125.468 0.006 . . . . . B 407 LYS N . 25171 1 1084 . 2 2 80 80 VAL H H 1 6.338 0.002 . . . . . B 408 VAL H . 25171 1 1085 . 2 2 80 80 VAL HA H 1 3.613 0.007 . . . . . B 408 VAL HA . 25171 1 1086 . 2 2 80 80 VAL HB H 1 0.830 0.000 . . . . . B 408 VAL HB . 25171 1 1087 . 2 2 80 80 VAL HG11 H 1 0.603 0.008 . . . . . B 408 VAL HG11 . 25171 1 1088 . 2 2 80 80 VAL HG12 H 1 0.603 0.008 . . . . . B 408 VAL HG12 . 25171 1 1089 . 2 2 80 80 VAL HG13 H 1 0.603 0.008 . . . . . B 408 VAL HG13 . 25171 1 1090 . 2 2 80 80 VAL HG21 H 1 0.711 0.005 . . . . . B 408 VAL HG21 . 25171 1 1091 . 2 2 80 80 VAL HG22 H 1 0.711 0.005 . . . . . B 408 VAL HG22 . 25171 1 1092 . 2 2 80 80 VAL HG23 H 1 0.711 0.005 . . . . . B 408 VAL HG23 . 25171 1 1093 . 2 2 80 80 VAL C C 13 175.614 0.003 . . . . . B 408 VAL C . 25171 1 1094 . 2 2 80 80 VAL CA C 13 63.600 0.044 . . . . . B 408 VAL CA . 25171 1 1095 . 2 2 80 80 VAL CB C 13 32.031 0.040 . . . . . B 408 VAL CB . 25171 1 1096 . 2 2 80 80 VAL CG1 C 13 21.881 0.057 . . . . . B 408 VAL CG1 . 25171 1 1097 . 2 2 80 80 VAL CG2 C 13 21.022 0.000 . . . . . B 408 VAL CG2 . 25171 1 1098 . 2 2 80 80 VAL N N 15 114.737 0.029 . . . . . B 408 VAL N . 25171 1 1099 . 2 2 81 81 SER H H 1 7.340 0.001 . . . . . B 409 SER H . 25171 1 1100 . 2 2 81 81 SER HA H 1 4.930 0.000 . . . . . B 409 SER HA . 25171 1 1101 . 2 2 81 81 SER C C 13 173.485 0.000 . . . . . B 409 SER C . 25171 1 1102 . 2 2 81 81 SER CA C 13 55.901 0.000 . . . . . B 409 SER CA . 25171 1 1103 . 2 2 81 81 SER CB C 13 64.383 0.000 . . . . . B 409 SER CB . 25171 1 1104 . 2 2 81 81 SER N N 15 111.249 0.008 . . . . . B 409 SER N . 25171 1 1105 . 2 2 82 82 GLN C C 13 177.828 0.000 . . . . . B 410 GLN C . 25171 1 1106 . 2 2 82 82 GLN CA C 13 59.113 0.000 . . . . . B 410 GLN CA . 25171 1 1107 . 2 2 82 82 GLN CB C 13 28.273 0.000 . . . . . B 410 GLN CB . 25171 1 1108 . 2 2 83 83 VAL H H 1 7.812 0.010 . . . . . B 411 VAL H . 25171 1 1109 . 2 2 83 83 VAL HA H 1 3.966 0.002 . . . . . B 411 VAL HA . 25171 1 1110 . 2 2 83 83 VAL HB H 1 1.883 0.003 . . . . . B 411 VAL HB . 25171 1 1111 . 2 2 83 83 VAL HG11 H 1 1.042 0.002 . . . . . B 411 VAL HG11 . 25171 1 1112 . 2 2 83 83 VAL HG12 H 1 1.042 0.002 . . . . . B 411 VAL HG12 . 25171 1 1113 . 2 2 83 83 VAL HG13 H 1 1.042 0.002 . . . . . B 411 VAL HG13 . 25171 1 1114 . 2 2 83 83 VAL HG21 H 1 1.143 0.001 . . . . . B 411 VAL HG21 . 25171 1 1115 . 2 2 83 83 VAL HG22 H 1 1.143 0.001 . . . . . B 411 VAL HG22 . 25171 1 1116 . 2 2 83 83 VAL HG23 H 1 1.143 0.001 . . . . . B 411 VAL HG23 . 25171 1 1117 . 2 2 83 83 VAL C C 13 178.336 0.000 . . . . . B 411 VAL C . 25171 1 1118 . 2 2 83 83 VAL CA C 13 66.150 0.084 . . . . . B 411 VAL CA . 25171 1 1119 . 2 2 83 83 VAL CB C 13 32.114 0.078 . . . . . B 411 VAL CB . 25171 1 1120 . 2 2 83 83 VAL CG1 C 13 21.746 0.070 . . . . . B 411 VAL CG1 . 25171 1 1121 . 2 2 83 83 VAL CG2 C 13 22.255 0.056 . . . . . B 411 VAL CG2 . 25171 1 1122 . 2 2 83 83 VAL N N 15 117.831 0.031 . . . . . B 411 VAL N . 25171 1 1123 . 2 2 84 84 ILE H H 1 7.854 0.002 . . . . . B 412 ILE H . 25171 1 1124 . 2 2 84 84 ILE HA H 1 3.581 0.015 . . . . . B 412 ILE HA . 25171 1 1125 . 2 2 84 84 ILE HB H 1 2.261 0.004 . . . . . B 412 ILE HB . 25171 1 1126 . 2 2 84 84 ILE HG12 H 1 1.060 0.003 . . . . . B 412 ILE HG12 . 25171 1 1127 . 2 2 84 84 ILE HG13 H 1 1.981 0.000 . . . . . B 412 ILE HG13 . 25171 1 1128 . 2 2 84 84 ILE HG21 H 1 1.077 0.005 . . . . . B 412 ILE HG21 . 25171 1 1129 . 2 2 84 84 ILE HG22 H 1 1.077 0.005 . . . . . B 412 ILE HG22 . 25171 1 1130 . 2 2 84 84 ILE HG23 H 1 1.077 0.005 . . . . . B 412 ILE HG23 . 25171 1 1131 . 2 2 84 84 ILE HD11 H 1 1.353 0.004 . . . . . B 412 ILE HD11 . 25171 1 1132 . 2 2 84 84 ILE HD12 H 1 1.353 0.004 . . . . . B 412 ILE HD12 . 25171 1 1133 . 2 2 84 84 ILE HD13 H 1 1.353 0.004 . . . . . B 412 ILE HD13 . 25171 1 1134 . 2 2 84 84 ILE C C 13 179.527 0.000 . . . . . B 412 ILE C . 25171 1 1135 . 2 2 84 84 ILE CA C 13 66.277 0.056 . . . . . B 412 ILE CA . 25171 1 1136 . 2 2 84 84 ILE CB C 13 37.798 0.061 . . . . . B 412 ILE CB . 25171 1 1137 . 2 2 84 84 ILE CG1 C 13 31.119 0.000 . . . . . B 412 ILE CG1 . 25171 1 1138 . 2 2 84 84 ILE CG2 C 13 17.204 0.035 . . . . . B 412 ILE CG2 . 25171 1 1139 . 2 2 84 84 ILE CD1 C 13 14.778 0.047 . . . . . B 412 ILE CD1 . 25171 1 1140 . 2 2 84 84 ILE N N 15 120.462 0.004 . . . . . B 412 ILE N . 25171 1 1141 . 2 2 85 85 MET H H 1 8.425 0.003 . . . . . B 413 MET H . 25171 1 1142 . 2 2 85 85 MET HA H 1 4.091 0.000 . . . . . B 413 MET HA . 25171 1 1143 . 2 2 85 85 MET C C 13 178.957 0.005 . . . . . B 413 MET C . 25171 1 1144 . 2 2 85 85 MET CA C 13 61.451 0.039 . . . . . B 413 MET CA . 25171 1 1145 . 2 2 85 85 MET CB C 13 33.977 0.000 . . . . . B 413 MET CB . 25171 1 1146 . 2 2 85 85 MET N N 15 121.584 0.009 . . . . . B 413 MET N . 25171 1 1147 . 2 2 86 86 GLU H H 1 8.701 0.003 . . . . . B 414 GLU H . 25171 1 1148 . 2 2 86 86 GLU HA H 1 4.131 0.000 . . . . . B 414 GLU HA . 25171 1 1149 . 2 2 86 86 GLU C C 13 180.012 0.010 . . . . . B 414 GLU C . 25171 1 1150 . 2 2 86 86 GLU CA C 13 60.197 0.040 . . . . . B 414 GLU CA . 25171 1 1151 . 2 2 86 86 GLU CB C 13 29.923 0.000 . . . . . B 414 GLU CB . 25171 1 1152 . 2 2 86 86 GLU N N 15 121.421 0.000 . . . . . B 414 GLU N . 25171 1 1153 . 2 2 87 87 LYS H H 1 8.862 0.003 . . . . . B 415 LYS H . 25171 1 1154 . 2 2 87 87 LYS HA H 1 4.219 0.000 . . . . . B 415 LYS HA . 25171 1 1155 . 2 2 87 87 LYS C C 13 179.829 0.027 . . . . . B 415 LYS C . 25171 1 1156 . 2 2 87 87 LYS CA C 13 60.526 0.008 . . . . . B 415 LYS CA . 25171 1 1157 . 2 2 87 87 LYS CB C 13 34.381 0.027 . . . . . B 415 LYS CB . 25171 1 1158 . 2 2 87 87 LYS N N 15 120.040 0.024 . . . . . B 415 LYS N . 25171 1 1159 . 2 2 88 88 SER H H 1 8.805 0.004 . . . . . B 416 SER H . 25171 1 1160 . 2 2 88 88 SER HA H 1 4.308 0.000 . . . . . B 416 SER HA . 25171 1 1161 . 2 2 88 88 SER C C 13 176.741 0.000 . . . . . B 416 SER C . 25171 1 1162 . 2 2 88 88 SER CA C 13 62.948 0.067 . . . . . B 416 SER CA . 25171 1 1163 . 2 2 88 88 SER N N 15 114.201 0.043 . . . . . B 416 SER N . 25171 1 1164 . 2 2 89 89 THR H H 1 8.058 0.001 . . . . . B 417 THR H . 25171 1 1165 . 2 2 89 89 THR HA H 1 3.832 0.005 . . . . . B 417 THR HA . 25171 1 1166 . 2 2 89 89 THR HB H 1 4.522 0.004 . . . . . B 417 THR HB . 25171 1 1167 . 2 2 89 89 THR HG21 H 1 1.389 0.000 . . . . . B 417 THR HG21 . 25171 1 1168 . 2 2 89 89 THR HG22 H 1 1.389 0.000 . . . . . B 417 THR HG22 . 25171 1 1169 . 2 2 89 89 THR HG23 H 1 1.389 0.000 . . . . . B 417 THR HG23 . 25171 1 1170 . 2 2 89 89 THR C C 13 175.957 0.434 . . . . . B 417 THR C . 25171 1 1171 . 2 2 89 89 THR CA C 13 68.777 0.039 . . . . . B 417 THR CA . 25171 1 1172 . 2 2 89 89 THR CB C 13 68.557 0.000 . . . . . B 417 THR CB . 25171 1 1173 . 2 2 89 89 THR CG2 C 13 21.241 0.074 . . . . . B 417 THR CG2 . 25171 1 1174 . 2 2 89 89 THR N N 15 121.193 0.000 . . . . . B 417 THR N . 25171 1 1175 . 2 2 90 90 MET H H 1 7.901 0.001 . . . . . B 418 MET H . 25171 1 1176 . 2 2 90 90 MET HA H 1 4.243 0.001 . . . . . B 418 MET HA . 25171 1 1177 . 2 2 90 90 MET HB2 H 1 2.346 0.000 . . . . . B 418 MET QB . 25171 1 1178 . 2 2 90 90 MET HB3 H 1 2.346 0.000 . . . . . B 418 MET HB3 . 25171 1 1179 . 2 2 90 90 MET HG2 H 1 2.656 0.000 . . . . . B 418 MET HG2 . 25171 1 1180 . 2 2 90 90 MET HG3 H 1 2.878 0.000 . . . . . B 418 MET HG3 . 25171 1 1181 . 2 2 90 90 MET HE1 H 1 2.186 0.000 . . . . . B 418 MET HE1 . 25171 1 1182 . 2 2 90 90 MET HE2 H 1 2.186 0.000 . . . . . B 418 MET HE2 . 25171 1 1183 . 2 2 90 90 MET HE3 H 1 2.186 0.000 . . . . . B 418 MET HE3 . 25171 1 1184 . 2 2 90 90 MET C C 13 179.683 0.007 . . . . . B 418 MET C . 25171 1 1185 . 2 2 90 90 MET CA C 13 59.411 0.116 . . . . . B 418 MET CA . 25171 1 1186 . 2 2 90 90 MET CB C 13 32.006 0.000 . . . . . B 418 MET CB . 25171 1 1187 . 2 2 90 90 MET CG C 13 32.074 0.007 . . . . . B 418 MET CG . 25171 1 1188 . 2 2 90 90 MET CE C 13 17.257 0.000 . . . . . B 418 MET CE . 25171 1 1189 . 2 2 90 90 MET N N 15 120.677 0.014 . . . . . B 418 MET N . 25171 1 1190 . 2 2 91 91 LEU H H 1 8.106 0.003 . . . . . B 419 LEU H . 25171 1 1191 . 2 2 91 91 LEU HA H 1 4.031 0.003 . . . . . B 419 LEU HA . 25171 1 1192 . 2 2 91 91 LEU HB2 H 1 1.423 0.000 . . . . . B 419 LEU QB . 25171 1 1193 . 2 2 91 91 LEU HB3 H 1 1.423 0.000 . . . . . B 419 LEU HB3 . 25171 1 1194 . 2 2 91 91 LEU HD11 H 1 1.065 0.011 . . . . . B 419 LEU HD11 . 25171 1 1195 . 2 2 91 91 LEU HD12 H 1 1.065 0.011 . . . . . B 419 LEU HD12 . 25171 1 1196 . 2 2 91 91 LEU HD13 H 1 1.065 0.011 . . . . . B 419 LEU HD13 . 25171 1 1197 . 2 2 91 91 LEU HD21 H 1 0.882 0.003 . . . . . B 419 LEU HD21 . 25171 1 1198 . 2 2 91 91 LEU HD22 H 1 0.882 0.003 . . . . . B 419 LEU HD22 . 25171 1 1199 . 2 2 91 91 LEU HD23 H 1 0.882 0.003 . . . . . B 419 LEU HD23 . 25171 1 1200 . 2 2 91 91 LEU C C 13 177.674 0.000 . . . . . B 419 LEU C . 25171 1 1201 . 2 2 91 91 LEU CA C 13 58.036 0.032 . . . . . B 419 LEU CA . 25171 1 1202 . 2 2 91 91 LEU CB C 13 43.934 0.054 . . . . . B 419 LEU CB . 25171 1 1203 . 2 2 91 91 LEU CD1 C 13 26.910 0.091 . . . . . B 419 LEU CD1 . 25171 1 1204 . 2 2 91 91 LEU CD2 C 13 23.335 0.063 . . . . . B 419 LEU CD2 . 25171 1 1205 . 2 2 91 91 LEU N N 15 120.605 0.023 . . . . . B 419 LEU N . 25171 1 1206 . 2 2 92 92 TYR H H 1 9.228 0.003 . . . . . B 420 TYR H . 25171 1 1207 . 2 2 92 92 TYR HA H 1 4.149 0.007 . . . . . B 420 TYR HA . 25171 1 1208 . 2 2 92 92 TYR HB2 H 1 3.070 0.018 . . . . . B 420 TYR HB2 . 25171 1 1209 . 2 2 92 92 TYR HB3 H 1 3.148 0.000 . . . . . B 420 TYR HB3 . 25171 1 1210 . 2 2 92 92 TYR HD1 H 1 7.192 0.019 . . . . . B 420 TYR HD1 . 25171 1 1211 . 2 2 92 92 TYR HD2 H 1 7.192 0.019 . . . . . B 420 TYR HD2 . 25171 1 1212 . 2 2 92 92 TYR HE1 H 1 6.801 0.005 . . . . . B 420 TYR HE1 . 25171 1 1213 . 2 2 92 92 TYR HE2 H 1 6.801 0.005 . . . . . B 420 TYR HE2 . 25171 1 1214 . 2 2 92 92 TYR C C 13 176.674 0.016 . . . . . B 420 TYR C . 25171 1 1215 . 2 2 92 92 TYR CA C 13 63.150 0.039 . . . . . B 420 TYR CA . 25171 1 1216 . 2 2 92 92 TYR CB C 13 38.840 0.062 . . . . . B 420 TYR CB . 25171 1 1217 . 2 2 92 92 TYR N N 15 120.620 0.000 . . . . . B 420 TYR N . 25171 1 1218 . 2 2 93 93 ASN H H 1 8.451 0.002 . . . . . B 421 ASN H . 25171 1 1219 . 2 2 93 93 ASN HA H 1 4.264 0.001 . . . . . B 421 ASN HA . 25171 1 1220 . 2 2 93 93 ASN HB2 H 1 2.771 0.002 . . . . . B 421 ASN HB2 . 25171 1 1221 . 2 2 93 93 ASN HB3 H 1 2.997 0.002 . . . . . B 421 ASN HB3 . 25171 1 1222 . 2 2 93 93 ASN C C 13 177.363 0.006 . . . . . B 421 ASN C . 25171 1 1223 . 2 2 93 93 ASN CA C 13 55.931 0.110 . . . . . B 421 ASN CA . 25171 1 1224 . 2 2 93 93 ASN CB C 13 37.643 0.014 . . . . . B 421 ASN CB . 25171 1 1225 . 2 2 93 93 ASN N N 15 116.276 0.024 . . . . . B 421 ASN N . 25171 1 1226 . 2 2 94 94 LYS H H 1 7.915 0.006 . . . . . B 422 LYS H . 25171 1 1227 . 2 2 94 94 LYS HA H 1 4.002 0.001 . . . . . B 422 LYS HA . 25171 1 1228 . 2 2 94 94 LYS HB2 H 1 1.881 0.003 . . . . . B 422 LYS QB . 25171 1 1229 . 2 2 94 94 LYS HB3 H 1 1.881 0.003 . . . . . B 422 LYS HB3 . 25171 1 1230 . 2 2 94 94 LYS HG2 H 1 1.441 0.000 . . . . . B 422 LYS HG2 . 25171 1 1231 . 2 2 94 94 LYS HG3 H 1 0.981 0.003 . . . . . B 422 LYS HG3 . 25171 1 1232 . 2 2 94 94 LYS HD2 H 1 1.572 0.000 . . . . . B 422 LYS HD2 . 25171 1 1233 . 2 2 94 94 LYS HD3 H 1 1.415 0.001 . . . . . B 422 LYS HD3 . 25171 1 1234 . 2 2 94 94 LYS HE2 H 1 2.809 0.000 . . . . . B 422 LYS QE . 25171 1 1235 . 2 2 94 94 LYS HE3 H 1 2.809 0.000 . . . . . B 422 LYS HE3 . 25171 1 1236 . 2 2 94 94 LYS C C 13 179.543 0.017 . . . . . B 422 LYS C . 25171 1 1237 . 2 2 94 94 LYS CA C 13 59.778 0.128 . . . . . B 422 LYS CA . 25171 1 1238 . 2 2 94 94 LYS CB C 13 32.248 0.016 . . . . . B 422 LYS CB . 25171 1 1239 . 2 2 94 94 LYS CG C 13 24.863 0.000 . . . . . B 422 LYS CG . 25171 1 1240 . 2 2 94 94 LYS CD C 13 29.790 0.015 . . . . . B 422 LYS CD . 25171 1 1241 . 2 2 94 94 LYS N N 15 121.690 0.000 . . . . . B 422 LYS N . 25171 1 1242 . 2 2 95 95 PHE H H 1 8.082 0.011 . . . . . B 423 PHE H . 25171 1 1243 . 2 2 95 95 PHE HA H 1 4.463 0.017 . . . . . B 423 PHE HA . 25171 1 1244 . 2 2 95 95 PHE HB2 H 1 3.091 0.043 . . . . . B 423 PHE HB2 . 25171 1 1245 . 2 2 95 95 PHE HB3 H 1 3.155 0.000 . . . . . B 423 PHE HB3 . 25171 1 1246 . 2 2 95 95 PHE HD1 H 1 7.402 0.009 . . . . . B 423 PHE HD1 . 25171 1 1247 . 2 2 95 95 PHE HD2 H 1 7.402 0.009 . . . . . B 423 PHE HD2 . 25171 1 1248 . 2 2 95 95 PHE HE1 H 1 7.114 0.000 . . . . . B 423 PHE HE1 . 25171 1 1249 . 2 2 95 95 PHE HE2 H 1 7.114 0.000 . . . . . B 423 PHE HE2 . 25171 1 1250 . 2 2 95 95 PHE C C 13 177.294 0.019 . . . . . B 423 PHE C . 25171 1 1251 . 2 2 95 95 PHE CA C 13 61.450 0.041 . . . . . B 423 PHE CA . 25171 1 1252 . 2 2 95 95 PHE CB C 13 38.875 0.085 . . . . . B 423 PHE CB . 25171 1 1253 . 2 2 95 95 PHE N N 15 117.873 0.035 . . . . . B 423 PHE N . 25171 1 1254 . 2 2 96 96 LYS H H 1 8.745 0.002 . . . . . B 424 LYS H . 25171 1 1255 . 2 2 96 96 LYS C C 13 178.448 0.015 . . . . . B 424 LYS C . 25171 1 1256 . 2 2 96 96 LYS CA C 13 59.877 0.056 . . . . . B 424 LYS CA . 25171 1 1257 . 2 2 96 96 LYS CB C 13 31.866 0.071 . . . . . B 424 LYS CB . 25171 1 1258 . 2 2 96 96 LYS N N 15 120.873 0.027 . . . . . B 424 LYS N . 25171 1 1259 . 2 2 97 97 ASN H H 1 8.039 0.004 . . . . . B 425 ASN H . 25171 1 1260 . 2 2 97 97 ASN HA H 1 4.461 0.003 . . . . . B 425 ASN HA . 25171 1 1261 . 2 2 97 97 ASN HB2 H 1 2.809 0.002 . . . . . B 425 ASN QB . 25171 1 1262 . 2 2 97 97 ASN HB3 H 1 2.809 0.002 . . . . . B 425 ASN HB3 . 25171 1 1263 . 2 2 97 97 ASN C C 13 177.171 0.023 . . . . . B 425 ASN C . 25171 1 1264 . 2 2 97 97 ASN CA C 13 55.765 0.072 . . . . . B 425 ASN CA . 25171 1 1265 . 2 2 97 97 ASN CB C 13 38.352 0.008 . . . . . B 425 ASN CB . 25171 1 1266 . 2 2 97 97 ASN N N 15 115.617 0.022 . . . . . B 425 ASN N . 25171 1 1267 . 2 2 98 98 MET H H 1 7.705 0.007 . . . . . B 426 MET H . 25171 1 1268 . 2 2 98 98 MET HA H 1 4.115 0.007 . . . . . B 426 MET HA . 25171 1 1269 . 2 2 98 98 MET HB2 H 1 2.018 0.002 . . . . . B 426 MET HB2 . 25171 1 1270 . 2 2 98 98 MET HB3 H 1 2.218 0.000 . . . . . B 426 MET HB3 . 25171 1 1271 . 2 2 98 98 MET HG2 H 1 2.688 0.000 . . . . . B 426 MET HG2 . 25171 1 1272 . 2 2 98 98 MET HG3 H 1 2.449 0.002 . . . . . B 426 MET HG3 . 25171 1 1273 . 2 2 98 98 MET HE1 H 1 1.936 0.008 . . . . . B 426 MET HE1 . 25171 1 1274 . 2 2 98 98 MET HE2 H 1 1.936 0.008 . . . . . B 426 MET HE2 . 25171 1 1275 . 2 2 98 98 MET HE3 H 1 1.936 0.008 . . . . . B 426 MET HE3 . 25171 1 1276 . 2 2 98 98 MET C C 13 177.168 0.000 . . . . . B 426 MET C . 25171 1 1277 . 2 2 98 98 MET CA C 13 58.640 0.058 . . . . . B 426 MET CA . 25171 1 1278 . 2 2 98 98 MET CB C 13 33.358 0.041 . . . . . B 426 MET CB . 25171 1 1279 . 2 2 98 98 MET CE C 13 17.039 0.000 . . . . . B 426 MET CE . 25171 1 1280 . 2 2 98 98 MET N N 15 118.269 0.011 . . . . . B 426 MET N . 25171 1 1281 . 2 2 99 99 PHE H H 1 7.702 0.005 . . . . . B 427 PHE H . 25171 1 1282 . 2 2 99 99 PHE HA H 1 4.467 0.006 . . . . . B 427 PHE HA . 25171 1 1283 . 2 2 99 99 PHE HB2 H 1 2.964 0.006 . . . . . B 427 PHE HB2 . 25171 1 1284 . 2 2 99 99 PHE HB3 H 1 3.153 0.010 . . . . . B 427 PHE HB3 . 25171 1 1285 . 2 2 99 99 PHE HD1 H 1 7.422 0.031 . . . . . B 427 PHE HD1 . 25171 1 1286 . 2 2 99 99 PHE HD2 H 1 7.422 0.031 . . . . . B 427 PHE HD2 . 25171 1 1287 . 2 2 99 99 PHE HE1 H 1 7.061 0.014 . . . . . B 427 PHE HE1 . 25171 1 1288 . 2 2 99 99 PHE HE2 H 1 7.061 0.014 . . . . . B 427 PHE HE2 . 25171 1 1289 . 2 2 99 99 PHE HZ H 1 7.178 0.001 . . . . . B 427 PHE HZ . 25171 1 1290 . 2 2 99 99 PHE C C 13 176.312 0.005 . . . . . B 427 PHE C . 25171 1 1291 . 2 2 99 99 PHE CA C 13 59.251 0.060 . . . . . B 427 PHE CA . 25171 1 1292 . 2 2 99 99 PHE CB C 13 39.741 0.078 . . . . . B 427 PHE CB . 25171 1 1293 . 2 2 99 99 PHE N N 15 116.251 0.010 . . . . . B 427 PHE N . 25171 1 1294 . 2 2 100 100 LEU H H 1 7.870 0.003 . . . . . B 428 LEU H . 25171 1 1295 . 2 2 100 100 LEU HA H 1 4.269 0.009 . . . . . B 428 LEU HA . 25171 1 1296 . 2 2 100 100 LEU HB2 H 1 1.746 0.000 . . . . . B 428 LEU HB2 . 25171 1 1297 . 2 2 100 100 LEU HB3 H 1 1.589 0.000 . . . . . B 428 LEU HB3 . 25171 1 1298 . 2 2 100 100 LEU HG H 1 1.659 0.000 . . . . . B 428 LEU HG . 25171 1 1299 . 2 2 100 100 LEU HD11 H 1 0.815 0.002 . . . . . B 428 LEU HD11 . 25171 1 1300 . 2 2 100 100 LEU HD12 H 1 0.815 0.002 . . . . . B 428 LEU HD12 . 25171 1 1301 . 2 2 100 100 LEU HD13 H 1 0.815 0.002 . . . . . B 428 LEU HD13 . 25171 1 1302 . 2 2 100 100 LEU HD21 H 1 0.850 0.003 . . . . . B 428 LEU HD21 . 25171 1 1303 . 2 2 100 100 LEU HD22 H 1 0.850 0.003 . . . . . B 428 LEU HD22 . 25171 1 1304 . 2 2 100 100 LEU HD23 H 1 0.850 0.003 . . . . . B 428 LEU HD23 . 25171 1 1305 . 2 2 100 100 LEU C C 13 177.754 0.015 . . . . . B 428 LEU C . 25171 1 1306 . 2 2 100 100 LEU CA C 13 56.164 0.041 . . . . . B 428 LEU CA . 25171 1 1307 . 2 2 100 100 LEU CB C 13 42.086 0.025 . . . . . B 428 LEU CB . 25171 1 1308 . 2 2 100 100 LEU CG C 13 26.706 0.000 . . . . . B 428 LEU CG . 25171 1 1309 . 2 2 100 100 LEU CD1 C 13 23.461 0.098 . . . . . B 428 LEU CD1 . 25171 1 1310 . 2 2 100 100 LEU CD2 C 13 25.322 0.008 . . . . . B 428 LEU CD2 . 25171 1 1311 . 2 2 100 100 LEU N N 15 120.060 0.010 . . . . . B 428 LEU N . 25171 1 1312 . 2 2 101 101 VAL H H 1 7.851 0.003 . . . . . B 429 VAL H . 25171 1 1313 . 2 2 101 101 VAL HA H 1 4.092 0.004 . . . . . B 429 VAL HA . 25171 1 1314 . 2 2 101 101 VAL HB H 1 2.130 0.005 . . . . . B 429 VAL HB . 25171 1 1315 . 2 2 101 101 VAL HG11 H 1 0.969 0.000 . . . . . B 429 VAL HG11 . 25171 1 1316 . 2 2 101 101 VAL HG12 H 1 0.969 0.000 . . . . . B 429 VAL HG12 . 25171 1 1317 . 2 2 101 101 VAL HG13 H 1 0.969 0.000 . . . . . B 429 VAL HG13 . 25171 1 1318 . 2 2 101 101 VAL HG21 H 1 0.969 0.000 . . . . . B 429 VAL HG21 . 25171 1 1319 . 2 2 101 101 VAL HG22 H 1 0.969 0.000 . . . . . B 429 VAL HG22 . 25171 1 1320 . 2 2 101 101 VAL HG23 H 1 0.969 0.000 . . . . . B 429 VAL HG23 . 25171 1 1321 . 2 2 101 101 VAL C C 13 177.075 0.007 . . . . . B 429 VAL C . 25171 1 1322 . 2 2 101 101 VAL CA C 13 63.121 0.065 . . . . . B 429 VAL CA . 25171 1 1323 . 2 2 101 101 VAL CB C 13 32.575 0.040 . . . . . B 429 VAL CB . 25171 1 1324 . 2 2 101 101 VAL N N 15 118.293 0.020 . . . . . B 429 VAL N . 25171 1 1325 . 2 2 102 102 GLY H H 1 8.210 0.002 . . . . . B 430 GLY H . 25171 1 1326 . 2 2 102 102 GLY C C 13 174.179 0.010 . . . . . B 430 GLY C . 25171 1 1327 . 2 2 102 102 GLY CA C 13 45.498 0.001 . . . . . B 430 GLY CA . 25171 1 1328 . 2 2 102 102 GLY N N 15 110.817 0.027 . . . . . B 430 GLY N . 25171 1 1329 . 2 2 103 103 GLU H H 1 8.284 0.001 . . . . . B 431 GLU H . 25171 1 1330 . 2 2 103 103 GLU HA H 1 4.334 0.000 . . . . . B 431 GLU HA . 25171 1 1331 . 2 2 103 103 GLU C C 13 177.109 0.005 . . . . . B 431 GLU C . 25171 1 1332 . 2 2 103 103 GLU CA C 13 56.758 0.046 . . . . . B 431 GLU CA . 25171 1 1333 . 2 2 103 103 GLU CB C 13 30.519 0.016 . . . . . B 431 GLU CB . 25171 1 1334 . 2 2 103 103 GLU N N 15 120.414 0.028 . . . . . B 431 GLU N . 25171 1 1335 . 2 2 104 104 GLY H H 1 8.437 0.001 . . . . . B 432 GLY H . 25171 1 1336 . 2 2 104 104 GLY C C 13 174.041 0.002 . . . . . B 432 GLY C . 25171 1 1337 . 2 2 104 104 GLY CA C 13 45.493 0.019 . . . . . B 432 GLY CA . 25171 1 1338 . 2 2 104 104 GLY N N 15 109.585 0.006 . . . . . B 432 GLY N . 25171 1 1339 . 2 2 105 105 ASP H H 1 8.261 0.001 . . . . . B 433 ASP H . 25171 1 1340 . 2 2 105 105 ASP HA H 1 4.660 0.000 . . . . . B 433 ASP HA . 25171 1 1341 . 2 2 105 105 ASP C C 13 176.521 0.001 . . . . . B 433 ASP C . 25171 1 1342 . 2 2 105 105 ASP CA C 13 54.594 0.033 . . . . . B 433 ASP CA . 25171 1 1343 . 2 2 105 105 ASP CB C 13 41.431 0.012 . . . . . B 433 ASP CB . 25171 1 1344 . 2 2 105 105 ASP N N 15 120.505 0.034 . . . . . B 433 ASP N . 25171 1 1345 . 2 2 106 106 SER H H 1 8.276 0.000 . . . . . B 434 SER H . 25171 1 1346 . 2 2 106 106 SER C C 13 174.584 0.004 . . . . . B 434 SER C . 25171 1 1347 . 2 2 106 106 SER CA C 13 58.750 0.011 . . . . . B 434 SER CA . 25171 1 1348 . 2 2 106 106 SER CB C 13 63.939 0.013 . . . . . B 434 SER CB . 25171 1 1349 . 2 2 106 106 SER N N 15 115.836 0.018 . . . . . B 434 SER N . 25171 1 1350 . 2 2 107 107 VAL H H 1 8.118 0.002 . . . . . B 435 VAL H . 25171 1 1351 . 2 2 107 107 VAL HA H 1 4.141 0.000 . . . . . B 435 VAL HA . 25171 1 1352 . 2 2 107 107 VAL HB H 1 2.109 0.000 . . . . . B 435 VAL HB . 25171 1 1353 . 2 2 107 107 VAL C C 13 176.334 0.013 . . . . . B 435 VAL C . 25171 1 1354 . 2 2 107 107 VAL CA C 13 62.813 0.044 . . . . . B 435 VAL CA . 25171 1 1355 . 2 2 107 107 VAL CB C 13 32.570 0.021 . . . . . B 435 VAL CB . 25171 1 1356 . 2 2 107 107 VAL N N 15 121.572 0.010 . . . . . B 435 VAL N . 25171 1 1357 . 2 2 108 108 ILE H H 1 8.207 0.002 . . . . . B 436 ILE H . 25171 1 1358 . 2 2 108 108 ILE HA H 1 4.243 0.007 . . . . . B 436 ILE HA . 25171 1 1359 . 2 2 108 108 ILE HB H 1 1.909 0.012 . . . . . B 436 ILE HB . 25171 1 1360 . 2 2 108 108 ILE HG12 H 1 1.228 0.011 . . . . . B 436 ILE HG12 . 25171 1 1361 . 2 2 108 108 ILE HG13 H 1 1.510 0.007 . . . . . B 436 ILE HG13 . 25171 1 1362 . 2 2 108 108 ILE HG21 H 1 0.926 0.011 . . . . . B 436 ILE HG21 . 25171 1 1363 . 2 2 108 108 ILE HG22 H 1 0.926 0.011 . . . . . B 436 ILE HG22 . 25171 1 1364 . 2 2 108 108 ILE HG23 H 1 0.926 0.011 . . . . . B 436 ILE HG23 . 25171 1 1365 . 2 2 108 108 ILE HD11 H 1 0.885 0.001 . . . . . B 436 ILE HD11 . 25171 1 1366 . 2 2 108 108 ILE HD12 H 1 0.885 0.001 . . . . . B 436 ILE HD12 . 25171 1 1367 . 2 2 108 108 ILE HD13 H 1 0.885 0.001 . . . . . B 436 ILE HD13 . 25171 1 1368 . 2 2 108 108 ILE C C 13 176.484 0.018 . . . . . B 436 ILE C . 25171 1 1369 . 2 2 108 108 ILE CA C 13 61.374 0.030 . . . . . B 436 ILE CA . 25171 1 1370 . 2 2 108 108 ILE CB C 13 38.507 0.017 . . . . . B 436 ILE CB . 25171 1 1371 . 2 2 108 108 ILE CG1 C 13 27.447 0.047 . . . . . B 436 ILE CG1 . 25171 1 1372 . 2 2 108 108 ILE CG2 C 13 17.676 0.057 . . . . . B 436 ILE CG2 . 25171 1 1373 . 2 2 108 108 ILE CD1 C 13 12.840 0.025 . . . . . B 436 ILE CD1 . 25171 1 1374 . 2 2 108 108 ILE N N 15 123.955 0.031 . . . . . B 436 ILE N . 25171 1 1375 . 2 2 109 109 THR H H 1 8.166 0.012 . . . . . . 437 THR HN . 25171 1 1376 . 2 2 109 109 THR HA H 1 4.296 0.054 . . . . . . 437 THR HA . 25171 1 1377 . 2 2 109 109 THR HB H 1 4.218 0.003 . . . . . . 437 THR HB . 25171 1 1378 . 2 2 109 109 THR HG21 H 1 1.228 0.009 . . . . . . 437 THR QG2 . 25171 1 1379 . 2 2 109 109 THR HG22 H 1 1.228 0.009 . . . . . . 437 THR QG2 . 25171 1 1380 . 2 2 109 109 THR HG23 H 1 1.228 0.009 . . . . . . 437 THR QG2 . 25171 1 1381 . 2 2 109 109 THR C C 13 174.413 0.005 . . . . . . 437 THR CO . 25171 1 1382 . 2 2 109 109 THR CA C 13 62.217 0.042 . . . . . . 437 THR CA . 25171 1 1383 . 2 2 109 109 THR CB C 13 69.757 0.051 . . . . . . 437 THR CB . 25171 1 1384 . 2 2 109 109 THR CG2 C 13 21.792 0.049 . . . . . . 437 THR CG2 . 25171 1 1385 . 2 2 109 109 THR N N 15 118.148 0.033 . . . . . . 437 THR N . 25171 1 1386 . 2 2 110 110 GLN H H 1 8.302 0.002 . . . . . . 438 GLN HN . 25171 1 1387 . 2 2 110 110 GLN HA H 1 4.381 0.000 . . . . . . 438 GLN HA . 25171 1 1388 . 2 2 110 110 GLN C C 13 175.683 0.000 . . . . . . 438 GLN CO . 25171 1 1389 . 2 2 110 110 GLN CA C 13 55.999 0.044 . . . . . . 438 GLN CA . 25171 1 1390 . 2 2 110 110 GLN CB C 13 29.698 0.022 . . . . . . 438 GLN CB . 25171 1 1391 . 2 2 110 110 GLN N N 15 122.953 0.017 . . . . . . 438 GLN N . 25171 1 1392 . 2 2 111 111 VAL H H 1 8.212 0.002 . . . . . . 439 VAL HN . 25171 1 1393 . 2 2 111 111 VAL HA H 1 4.088 0.000 . . . . . . 439 VAL HA . 25171 1 1394 . 2 2 111 111 VAL C C 13 175.947 0.002 . . . . . . 439 VAL CO . 25171 1 1395 . 2 2 111 111 VAL CA C 13 62.652 0.003 . . . . . . 439 VAL CA . 25171 1 1396 . 2 2 111 111 VAL CB C 13 32.664 0.033 . . . . . . 439 VAL CB . 25171 1 1397 . 2 2 111 111 VAL N N 15 121.816 0.019 . . . . . . 439 VAL N . 25171 1 1398 . 2 2 112 112 LEU H H 1 8.330 0.001 . . . . . . 440 LEU HN . 25171 1 1399 . 2 2 112 112 LEU HA H 1 4.431 0.004 . . . . . . 440 LEU HA . 25171 1 1400 . 2 2 112 112 LEU HB2 H 1 1.623 0.000 . . . . . . 440 LEU HB2 . 25171 1 1401 . 2 2 112 112 LEU HB3 H 1 1.690 0.000 . . . . . . 440 LEU HB3 . 25171 1 1402 . 2 2 112 112 LEU HG H 1 1.651 0.000 . . . . . . 440 LEU HG . 25171 1 1403 . 2 2 112 112 LEU HD11 H 1 0.898 0.005 . . . . . . 440 LEU QD1 . 25171 1 1404 . 2 2 112 112 LEU HD12 H 1 0.898 0.005 . . . . . . 440 LEU QD1 . 25171 1 1405 . 2 2 112 112 LEU HD13 H 1 0.898 0.005 . . . . . . 440 LEU QD1 . 25171 1 1406 . 2 2 112 112 LEU HD21 H 1 0.954 0.000 . . . . . . 440 LEU QD2 . 25171 1 1407 . 2 2 112 112 LEU HD22 H 1 0.954 0.000 . . . . . . 440 LEU QD2 . 25171 1 1408 . 2 2 112 112 LEU HD23 H 1 0.954 0.000 . . . . . . 440 LEU QD2 . 25171 1 1409 . 2 2 112 112 LEU C C 13 176.823 0.003 . . . . . . 440 LEU CO . 25171 1 1410 . 2 2 112 112 LEU CA C 13 55.082 0.020 . . . . . . 440 LEU CA . 25171 1 1411 . 2 2 112 112 LEU CB C 13 42.596 0.054 . . . . . . 440 LEU CB . 25171 1 1412 . 2 2 112 112 LEU CG C 13 26.907 0.000 . . . . . . 440 LEU CG . 25171 1 1413 . 2 2 112 112 LEU CD1 C 13 23.499 0.112 . . . . . . 440 LEU CD1 . 25171 1 1414 . 2 2 112 112 LEU CD2 C 13 24.928 0.148 . . . . . . 440 LEU CD2 . 25171 1 1415 . 2 2 112 112 LEU N N 15 125.709 0.014 . . . . . . 440 LEU N . 25171 1 1416 . 2 2 113 113 ASN H H 1 8.388 0.001 . . . . . . 441 ASN HN . 25171 1 1417 . 2 2 113 113 ASN C C 13 173.964 0.003 . . . . . . 441 ASN CO . 25171 1 1418 . 2 2 113 113 ASN CA C 13 53.416 0.009 . . . . . . 441 ASN CA . 25171 1 1419 . 2 2 113 113 ASN CB C 13 39.051 0.000 . . . . . . 441 ASN CB . 25171 1 1420 . 2 2 113 113 ASN N N 15 120.030 0.027 . . . . . . 441 ASN N . 25171 1 1421 . 2 2 114 114 LYS H H 1 7.855 0.002 . . . . . . 442 LYS HN . 25171 1 1422 . 2 2 114 114 LYS C C 13 181.151 0.000 . . . . . . 442 LYS CO . 25171 1 1423 . 2 2 114 114 LYS CA C 13 57.930 0.000 . . . . . . 442 LYS CA . 25171 1 1424 . 2 2 114 114 LYS CB C 13 33.823 0.000 . . . . . . 442 LYS CB . 25171 1 1425 . 2 2 114 114 LYS N N 15 126.465 0.003 . . . . . . 442 LYS N . 25171 1 stop_ save_