data_51649 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51649 _Entry.Title ; Ded1p RecA2 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-10-04 _Entry.Accession_date 2022-10-04 _Entry.Last_release_date 2022-10-04 _Entry.Original_release_date 2022-10-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone assignment' _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 Julian Hubner . . . . 51649 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51649 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 562 51649 '15N chemical shifts' 162 51649 '1H chemical shifts' 474 51649 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 1 . . 2022-10-10 . original BMRB . 51649 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51650 'Ded1p N-term IDR' 51649 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51649 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Ded1p RecA2 domain ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'to be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Julian Hubner . . . . 51649 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51649 _Assembly.ID 1 _Assembly.Name 'Ded1p RecA2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'Ded1p RecA2' 1 $entity_1 . . yes native no no . . . 51649 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51649 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; STSENITQKVLYVENQDKKS ALLDLLSASTDGLTLIFVET KRMADQLTDFLIMQNFRATA IHGDRTQSERERALAAFRSG AATLLVATAVAARGLDIPNV THVINYDLPSDVDDYVHRIG RTGRAGNTGLATAFFNSENS NIVKGLHEILTEANQEVPSF LKDAMMS ; _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 167 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 1 369 SER . 51649 1 2 370 THR . 51649 1 3 371 SER . 51649 1 4 372 GLU . 51649 1 5 373 ASN . 51649 1 6 374 ILE . 51649 1 7 375 THR . 51649 1 8 376 GLN . 51649 1 9 377 LYS . 51649 1 10 378 VAL . 51649 1 11 379 LEU . 51649 1 12 380 TYR . 51649 1 13 381 VAL . 51649 1 14 382 GLU . 51649 1 15 383 ASN . 51649 1 16 384 GLN . 51649 1 17 385 ASP . 51649 1 18 386 LYS . 51649 1 19 387 LYS . 51649 1 20 388 SER . 51649 1 21 389 ALA . 51649 1 22 390 LEU . 51649 1 23 391 LEU . 51649 1 24 392 ASP . 51649 1 25 393 LEU . 51649 1 26 394 LEU . 51649 1 27 395 SER . 51649 1 28 396 ALA . 51649 1 29 397 SER . 51649 1 30 398 THR . 51649 1 31 399 ASP . 51649 1 32 400 GLY . 51649 1 33 401 LEU . 51649 1 34 402 THR . 51649 1 35 403 LEU . 51649 1 36 404 ILE . 51649 1 37 405 PHE . 51649 1 38 406 VAL . 51649 1 39 407 GLU . 51649 1 40 408 THR . 51649 1 41 409 LYS . 51649 1 42 410 ARG . 51649 1 43 411 MET . 51649 1 44 412 ALA . 51649 1 45 413 ASP . 51649 1 46 414 GLN . 51649 1 47 415 LEU . 51649 1 48 416 THR . 51649 1 49 417 ASP . 51649 1 50 418 PHE . 51649 1 51 419 LEU . 51649 1 52 420 ILE . 51649 1 53 421 MET . 51649 1 54 422 GLN . 51649 1 55 423 ASN . 51649 1 56 424 PHE . 51649 1 57 425 ARG . 51649 1 58 426 ALA . 51649 1 59 427 THR . 51649 1 60 428 ALA . 51649 1 61 429 ILE . 51649 1 62 430 HIS . 51649 1 63 431 GLY . 51649 1 64 432 ASP . 51649 1 65 433 ARG . 51649 1 66 434 THR . 51649 1 67 435 GLN . 51649 1 68 436 SER . 51649 1 69 437 GLU . 51649 1 70 438 ARG . 51649 1 71 439 GLU . 51649 1 72 440 ARG . 51649 1 73 441 ALA . 51649 1 74 442 LEU . 51649 1 75 443 ALA . 51649 1 76 444 ALA . 51649 1 77 445 PHE . 51649 1 78 446 ARG . 51649 1 79 447 SER . 51649 1 80 448 GLY . 51649 1 81 449 ALA . 51649 1 82 450 ALA . 51649 1 83 451 THR . 51649 1 84 452 LEU . 51649 1 85 453 LEU . 51649 1 86 454 VAL . 51649 1 87 455 ALA . 51649 1 88 456 THR . 51649 1 89 457 ALA . 51649 1 90 458 VAL . 51649 1 91 459 ALA . 51649 1 92 460 ALA . 51649 1 93 461 ARG . 51649 1 94 462 GLY . 51649 1 95 463 LEU . 51649 1 96 464 ASP . 51649 1 97 465 ILE . 51649 1 98 466 PRO . 51649 1 99 467 ASN . 51649 1 100 468 VAL . 51649 1 101 469 THR . 51649 1 102 470 HIS . 51649 1 103 471 VAL . 51649 1 104 472 ILE . 51649 1 105 473 ASN . 51649 1 106 474 TYR . 51649 1 107 475 ASP . 51649 1 108 476 LEU . 51649 1 109 477 PRO . 51649 1 110 478 SER . 51649 1 111 479 ASP . 51649 1 112 480 VAL . 51649 1 113 481 ASP . 51649 1 114 482 ASP . 51649 1 115 483 TYR . 51649 1 116 484 VAL . 51649 1 117 485 HIS . 51649 1 118 486 ARG . 51649 1 119 487 ILE . 51649 1 120 488 GLY . 51649 1 121 489 ARG . 51649 1 122 490 THR . 51649 1 123 491 GLY . 51649 1 124 492 ARG . 51649 1 125 493 ALA . 51649 1 126 494 GLY . 51649 1 127 495 ASN . 51649 1 128 496 THR . 51649 1 129 497 GLY . 51649 1 130 498 LEU . 51649 1 131 499 ALA . 51649 1 132 500 THR . 51649 1 133 501 ALA . 51649 1 134 502 PHE . 51649 1 135 503 PHE . 51649 1 136 504 ASN . 51649 1 137 505 SER . 51649 1 138 506 GLU . 51649 1 139 507 ASN . 51649 1 140 508 SER . 51649 1 141 509 ASN . 51649 1 142 510 ILE . 51649 1 143 511 VAL . 51649 1 144 512 LYS . 51649 1 145 513 GLY . 51649 1 146 514 LEU . 51649 1 147 515 HIS . 51649 1 148 516 GLU . 51649 1 149 517 ILE . 51649 1 150 518 LEU . 51649 1 151 519 THR . 51649 1 152 520 GLU . 51649 1 153 521 ALA . 51649 1 154 522 ASN . 51649 1 155 523 GLN . 51649 1 156 524 GLU . 51649 1 157 525 VAL . 51649 1 158 526 PRO . 51649 1 159 527 SER . 51649 1 160 528 PHE . 51649 1 161 529 LEU . 51649 1 162 530 LYS . 51649 1 163 531 ASP . 51649 1 164 532 ALA . 51649 1 165 533 MET . 51649 1 166 534 MET . 51649 1 167 535 SER . 51649 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 . SER 1 1 51649 1 . THR 2 2 51649 1 . SER 3 3 51649 1 . GLU 4 4 51649 1 . ASN 5 5 51649 1 . ILE 6 6 51649 1 . THR 7 7 51649 1 . GLN 8 8 51649 1 . LYS 9 9 51649 1 . VAL 10 10 51649 1 . LEU 11 11 51649 1 . TYR 12 12 51649 1 . VAL 13 13 51649 1 . GLU 14 14 51649 1 . ASN 15 15 51649 1 . GLN 16 16 51649 1 . ASP 17 17 51649 1 . LYS 18 18 51649 1 . LYS 19 19 51649 1 . SER 20 20 51649 1 . ALA 21 21 51649 1 . LEU 22 22 51649 1 . LEU 23 23 51649 1 . ASP 24 24 51649 1 . LEU 25 25 51649 1 . LEU 26 26 51649 1 . SER 27 27 51649 1 . ALA 28 28 51649 1 . SER 29 29 51649 1 . THR 30 30 51649 1 . ASP 31 31 51649 1 . GLY 32 32 51649 1 . LEU 33 33 51649 1 . THR 34 34 51649 1 . LEU 35 35 51649 1 . ILE 36 36 51649 1 . PHE 37 37 51649 1 . VAL 38 38 51649 1 . GLU 39 39 51649 1 . THR 40 40 51649 1 . LYS 41 41 51649 1 . ARG 42 42 51649 1 . MET 43 43 51649 1 . ALA 44 44 51649 1 . ASP 45 45 51649 1 . GLN 46 46 51649 1 . LEU 47 47 51649 1 . THR 48 48 51649 1 . ASP 49 49 51649 1 . PHE 50 50 51649 1 . LEU 51 51 51649 1 . ILE 52 52 51649 1 . MET 53 53 51649 1 . GLN 54 54 51649 1 . ASN 55 55 51649 1 . PHE 56 56 51649 1 . ARG 57 57 51649 1 . ALA 58 58 51649 1 . THR 59 59 51649 1 . ALA 60 60 51649 1 . ILE 61 61 51649 1 . HIS 62 62 51649 1 . GLY 63 63 51649 1 . ASP 64 64 51649 1 . ARG 65 65 51649 1 . THR 66 66 51649 1 . GLN 67 67 51649 1 . SER 68 68 51649 1 . GLU 69 69 51649 1 . ARG 70 70 51649 1 . GLU 71 71 51649 1 . ARG 72 72 51649 1 . ALA 73 73 51649 1 . LEU 74 74 51649 1 . ALA 75 75 51649 1 . ALA 76 76 51649 1 . PHE 77 77 51649 1 . ARG 78 78 51649 1 . SER 79 79 51649 1 . GLY 80 80 51649 1 . ALA 81 81 51649 1 . ALA 82 82 51649 1 . THR 83 83 51649 1 . LEU 84 84 51649 1 . LEU 85 85 51649 1 . VAL 86 86 51649 1 . ALA 87 87 51649 1 . THR 88 88 51649 1 . ALA 89 89 51649 1 . VAL 90 90 51649 1 . ALA 91 91 51649 1 . ALA 92 92 51649 1 . ARG 93 93 51649 1 . GLY 94 94 51649 1 . LEU 95 95 51649 1 . ASP 96 96 51649 1 . ILE 97 97 51649 1 . PRO 98 98 51649 1 . ASN 99 99 51649 1 . VAL 100 100 51649 1 . THR 101 101 51649 1 . HIS 102 102 51649 1 . VAL 103 103 51649 1 . ILE 104 104 51649 1 . ASN 105 105 51649 1 . TYR 106 106 51649 1 . ASP 107 107 51649 1 . LEU 108 108 51649 1 . PRO 109 109 51649 1 . SER 110 110 51649 1 . ASP 111 111 51649 1 . VAL 112 112 51649 1 . ASP 113 113 51649 1 . ASP 114 114 51649 1 . TYR 115 115 51649 1 . VAL 116 116 51649 1 . HIS 117 117 51649 1 . ARG 118 118 51649 1 . ILE 119 119 51649 1 . GLY 120 120 51649 1 . ARG 121 121 51649 1 . THR 122 122 51649 1 . GLY 123 123 51649 1 . ARG 124 124 51649 1 . ALA 125 125 51649 1 . GLY 126 126 51649 1 . ASN 127 127 51649 1 . THR 128 128 51649 1 . GLY 129 129 51649 1 . LEU 130 130 51649 1 . ALA 131 131 51649 1 . THR 132 132 51649 1 . ALA 133 133 51649 1 . PHE 134 134 51649 1 . PHE 135 135 51649 1 . ASN 136 136 51649 1 . SER 137 137 51649 1 . GLU 138 138 51649 1 . ASN 139 139 51649 1 . SER 140 140 51649 1 . ASN 141 141 51649 1 . ILE 142 142 51649 1 . VAL 143 143 51649 1 . LYS 144 144 51649 1 . GLY 145 145 51649 1 . LEU 146 146 51649 1 . HIS 147 147 51649 1 . GLU 148 148 51649 1 . ILE 149 149 51649 1 . LEU 150 150 51649 1 . THR 151 151 51649 1 . GLU 152 152 51649 1 . ALA 153 153 51649 1 . ASN 154 154 51649 1 . GLN 155 155 51649 1 . GLU 156 156 51649 1 . VAL 157 157 51649 1 . PRO 158 158 51649 1 . SER 159 159 51649 1 . PHE 160 160 51649 1 . LEU 161 161 51649 1 . LYS 162 162 51649 1 . ASP 163 163 51649 1 . ALA 164 164 51649 1 . MET 165 165 51649 1 . MET 166 166 51649 1 . SER 167 167 51649 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51649 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 51649 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51649 _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 . . . plasmid . . pETM-11 . . . 51649 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51649 _Sample.ID 1 _Sample.Name 'Ded1p RecA2' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'Ded1p RecA2' '[U-13C; U-15N]' . . 1 $entity_1 . . 2 . . mM . . . . 51649 1 2 'sodium chloride' 'natural abundance' . . . . . . 125 . . mM . . . . 51649 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 51649 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51649 1 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 51649 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 51649 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Ded1p RecA2' _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' 0.125 . M 51649 1 pH 7.3 . pH 51649 1 pressure 1 . atm 51649 1 temperature 298 . K 51649 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51649 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51649 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51649 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE NEO 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51649 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51649 1 2 '3D CBCACONH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51649 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51649 1 4 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51649 1 5 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51649 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51649 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Ded1p RecA2' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.698 internal indirect . . . . . . 51649 1 H 1 water protons . . . . ppm 4.698 internal direct 1 . . . . . 51649 1 N 15 water protons . . . . ppm 4.698 internal indirect . . . . . . 51649 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51649 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 51649 1 2 '3D CBCACONH' . . . 51649 1 3 '3D HNCACB' . . . 51649 1 5 '2D 1H-15N TROSY' . . . 51649 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51649 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 SER H H 1 8.332 0.02 . 1 . . . . . 369 SER H . 51649 1 2 . 1 . 1 1 1 SER C C 13 174.25 0.3 . 1 . . . . . 369 SER C . 51649 1 3 . 1 . 1 1 1 SER CA C 13 58.54 0.3 . 1 . . . . . 369 SER CA . 51649 1 4 . 1 . 1 1 1 SER CB C 13 63.92 0.3 . 1 . . . . . 369 SER CB . 51649 1 5 . 1 . 1 1 1 SER N N 15 116.363 0.3 . 1 . . . . . 369 SER N . 51649 1 6 . 1 . 1 2 2 THR H H 1 8.134 0.02 . 1 . . . . . 370 THR H . 51649 1 7 . 1 . 1 2 2 THR HG21 H 1 1.125 0.02 . 1 . . . . . 370 THR HG2 . 51649 1 8 . 1 . 1 2 2 THR HG22 H 1 1.125 0.02 . 1 . . . . . 370 THR HG2 . 51649 1 9 . 1 . 1 2 2 THR HG23 H 1 1.125 0.02 . 1 . . . . . 370 THR HG2 . 51649 1 10 . 1 . 1 2 2 THR C C 13 174.7 0.3 . 1 . . . . . 370 THR C . 51649 1 11 . 1 . 1 2 2 THR CA C 13 61.952 0.3 . 1 . . . . . 370 THR CA . 51649 1 12 . 1 . 1 2 2 THR CB C 13 69.892 0.3 . 1 . . . . . 370 THR CB . 51649 1 13 . 1 . 1 2 2 THR CG2 C 13 21.9 0.3 . 1 . . . . . 370 THR CG2 . 51649 1 14 . 1 . 1 2 2 THR N N 15 115.887 0.3 . 1 . . . . . 370 THR N . 51649 1 15 . 1 . 1 3 3 SER H H 1 8.254 0.02 . 1 . . . . . 371 SER H . 51649 1 16 . 1 . 1 3 3 SER C C 13 175.103 0.3 . 1 . . . . . 371 SER C . 51649 1 17 . 1 . 1 3 3 SER CA C 13 58.343 0.3 . 1 . . . . . 371 SER CA . 51649 1 18 . 1 . 1 3 3 SER CB C 13 63.592 0.3 . 1 . . . . . 371 SER CB . 51649 1 19 . 1 . 1 3 3 SER N N 15 117.701 0.3 . 1 . . . . . 371 SER N . 51649 1 20 . 1 . 1 4 4 GLU H H 1 8.343 0.02 . 1 . . . . . 372 GLU H . 51649 1 21 . 1 . 1 4 4 GLU C C 13 176.208 0.3 . 1 . . . . . 372 GLU C . 51649 1 22 . 1 . 1 4 4 GLU CA C 13 57.555 0.3 . 1 . . . . . 372 GLU CA . 51649 1 23 . 1 . 1 4 4 GLU CB C 13 29.733 0.3 . 1 . . . . . 372 GLU CB . 51649 1 24 . 1 . 1 4 4 GLU N N 15 122.949 0.3 . 1 . . . . . 372 GLU N . 51649 1 25 . 1 . 1 5 5 ASN H H 1 8.4 0.02 . 1 . . . . . 373 ASN H . 51649 1 26 . 1 . 1 5 5 ASN C C 13 174.229 0.3 . 1 . . . . . 373 ASN C . 51649 1 27 . 1 . 1 5 5 ASN CA C 13 53.618 0.3 . 1 . . . . . 373 ASN CA . 51649 1 28 . 1 . 1 5 5 ASN CB C 13 38.657 0.3 . 1 . . . . . 373 ASN CB . 51649 1 29 . 1 . 1 5 5 ASN N N 15 117.9 0.3 . 1 . . . . . 373 ASN N . 51649 1 30 . 1 . 1 6 6 ILE H H 1 7.409 0.02 . 1 . . . . . 374 ILE H . 51649 1 31 . 1 . 1 6 6 ILE HG21 H 1 0.458 0.02 . 1 . . . . . 374 ILE HG2 . 51649 1 32 . 1 . 1 6 6 ILE HG22 H 1 0.458 0.02 . 1 . . . . . 374 ILE HG2 . 51649 1 33 . 1 . 1 6 6 ILE HG23 H 1 0.458 0.02 . 1 . . . . . 374 ILE HG2 . 51649 1 34 . 1 . 1 6 6 ILE HD11 H 1 0.643 0.02 . 1 . . . . . 374 ILE HD1 . 51649 1 35 . 1 . 1 6 6 ILE HD12 H 1 0.643 0.02 . 1 . . . . . 374 ILE HD1 . 51649 1 36 . 1 . 1 6 6 ILE HD13 H 1 0.643 0.02 . 1 . . . . . 374 ILE HD1 . 51649 1 37 . 1 . 1 6 6 ILE C C 13 176.014 0.3 . 1 . . . . . 374 ILE C . 51649 1 38 . 1 . 1 6 6 ILE CA C 13 60.836 0.3 . 1 . . . . . 374 ILE CA . 51649 1 39 . 1 . 1 6 6 ILE CB C 13 40.691 0.3 . 1 . . . . . 374 ILE CB . 51649 1 40 . 1 . 1 6 6 ILE CG2 C 13 17.911 0.3 . 1 . . . . . 374 ILE CG2 . 51649 1 41 . 1 . 1 6 6 ILE CD1 C 13 14.537 0.3 . 1 . . . . . 374 ILE CD1 . 51649 1 42 . 1 . 1 6 6 ILE N N 15 119.76 0.3 . 1 . . . . . 374 ILE N . 51649 1 43 . 1 . 1 7 7 THR H H 1 8.203 0.02 . 1 . . . . . 375 THR H . 51649 1 44 . 1 . 1 7 7 THR HG21 H 1 1.157 0.02 . 1 . . . . . 375 THR HG2 . 51649 1 45 . 1 . 1 7 7 THR HG22 H 1 1.157 0.02 . 1 . . . . . 375 THR HG2 . 51649 1 46 . 1 . 1 7 7 THR HG23 H 1 1.157 0.02 . 1 . . . . . 375 THR HG2 . 51649 1 47 . 1 . 1 7 7 THR C C 13 173.177 0.3 . 1 . . . . . 375 THR C . 51649 1 48 . 1 . 1 7 7 THR CA C 13 62.674 0.3 . 1 . . . . . 375 THR CA . 51649 1 49 . 1 . 1 7 7 THR CB C 13 69.432 0.3 . 1 . . . . . 375 THR CB . 51649 1 50 . 1 . 1 7 7 THR CG2 C 13 21.567 0.3 . 1 . . . . . 375 THR CG2 . 51649 1 51 . 1 . 1 7 7 THR N N 15 126.669 0.3 . 1 . . . . . 375 THR N . 51649 1 52 . 1 . 1 8 8 GLN H H 1 8.771 0.02 . 1 . . . . . 376 GLN H . 51649 1 53 . 1 . 1 8 8 GLN C C 13 174.769 0.3 . 1 . . . . . 376 GLN C . 51649 1 54 . 1 . 1 8 8 GLN CA C 13 54.799 0.3 . 1 . . . . . 376 GLN CA . 51649 1 55 . 1 . 1 8 8 GLN CB C 13 32.423 0.3 . 1 . . . . . 376 GLN CB . 51649 1 56 . 1 . 1 8 8 GLN N N 15 127.319 0.3 . 1 . . . . . 376 GLN N . 51649 1 57 . 1 . 1 9 9 LYS H H 1 9.231 0.02 . 1 . . . . . 377 LYS H . 51649 1 58 . 1 . 1 9 9 LYS C C 13 175.918 0.3 . 1 . . . . . 377 LYS C . 51649 1 59 . 1 . 1 9 9 LYS CA C 13 54.077 0.3 . 1 . . . . . 377 LYS CA . 51649 1 60 . 1 . 1 9 9 LYS CB C 13 35.376 0.3 . 1 . . . . . 377 LYS CB . 51649 1 61 . 1 . 1 9 9 LYS N N 15 124.322 0.3 . 1 . . . . . 377 LYS N . 51649 1 62 . 1 . 1 10 10 VAL H H 1 8.907 0.02 . 1 . . . . . 378 VAL H . 51649 1 63 . 1 . 1 10 10 VAL HG11 H 1 0.847 0.02 . 2 . . . . . 378 VAL HG1 . 51649 1 64 . 1 . 1 10 10 VAL HG12 H 1 0.847 0.02 . 2 . . . . . 378 VAL HG1 . 51649 1 65 . 1 . 1 10 10 VAL HG13 H 1 0.847 0.02 . 2 . . . . . 378 VAL HG1 . 51649 1 66 . 1 . 1 10 10 VAL HG21 H 1 0.944 0.02 . 2 . . . . . 378 VAL HG2 . 51649 1 67 . 1 . 1 10 10 VAL HG22 H 1 0.944 0.02 . 2 . . . . . 378 VAL HG2 . 51649 1 68 . 1 . 1 10 10 VAL HG23 H 1 0.944 0.02 . 2 . . . . . 378 VAL HG2 . 51649 1 69 . 1 . 1 10 10 VAL C C 13 173.315 0.3 . 1 . . . . . 378 VAL C . 51649 1 70 . 1 . 1 10 10 VAL CA C 13 61.624 0.3 . 1 . . . . . 378 VAL CA . 51649 1 71 . 1 . 1 10 10 VAL CB C 13 33.932 0.3 . 1 . . . . . 378 VAL CB . 51649 1 72 . 1 . 1 10 10 VAL CG1 C 13 21.022 0.3 . 1 . . . . . 378 VAL CG1 . 51649 1 73 . 1 . 1 10 10 VAL CG2 C 13 22.393 0.3 . 1 . . . . . 378 VAL CG2 . 51649 1 74 . 1 . 1 10 10 VAL N N 15 125.798 0.3 . 1 . . . . . 378 VAL N . 51649 1 75 . 1 . 1 11 11 LEU H H 1 9.144 0.02 . 1 . . . . . 379 LEU H . 51649 1 76 . 1 . 1 11 11 LEU HD11 H 1 0.935 0.02 . 2 . . . . . 379 LEU HD1 . 51649 1 77 . 1 . 1 11 11 LEU HD12 H 1 0.935 0.02 . 2 . . . . . 379 LEU HD1 . 51649 1 78 . 1 . 1 11 11 LEU HD13 H 1 0.935 0.02 . 2 . . . . . 379 LEU HD1 . 51649 1 79 . 1 . 1 11 11 LEU HD21 H 1 0.944 0.02 . 2 . . . . . 379 LEU HD2 . 51649 1 80 . 1 . 1 11 11 LEU HD22 H 1 0.944 0.02 . 2 . . . . . 379 LEU HD2 . 51649 1 81 . 1 . 1 11 11 LEU HD23 H 1 0.944 0.02 . 2 . . . . . 379 LEU HD2 . 51649 1 82 . 1 . 1 11 11 LEU C C 13 174.713 0.3 . 1 . . . . . 379 LEU C . 51649 1 83 . 1 . 1 11 11 LEU CA C 13 53.421 0.3 . 1 . . . . . 379 LEU CA . 51649 1 84 . 1 . 1 11 11 LEU CB C 13 45.547 0.3 . 1 . . . . . 379 LEU CB . 51649 1 85 . 1 . 1 11 11 LEU CD1 C 13 23.7 0.3 . 1 . . . . . 379 LEU CD1 . 51649 1 86 . 1 . 1 11 11 LEU CD2 C 13 25.857 0.3 . 1 . . . . . 379 LEU CD2 . 51649 1 87 . 1 . 1 11 11 LEU N N 15 128.264 0.3 . 1 . . . . . 379 LEU N . 51649 1 88 . 1 . 1 12 12 TYR H H 1 8.584 0.02 . 1 . . . . . 380 TYR H . 51649 1 89 . 1 . 1 12 12 TYR C C 13 175.876 0.3 . 1 . . . . . 380 TYR C . 51649 1 90 . 1 . 1 12 12 TYR CA C 13 57.03 0.3 . 1 . . . . . 380 TYR CA . 51649 1 91 . 1 . 1 12 12 TYR CB C 13 36.557 0.3 . 1 . . . . . 380 TYR CB . 51649 1 92 . 1 . 1 12 12 TYR N N 15 126.802 0.3 . 1 . . . . . 380 TYR N . 51649 1 93 . 1 . 1 13 13 VAL H H 1 8.273 0.02 . 1 . . . . . 381 VAL H . 51649 1 94 . 1 . 1 13 13 VAL HG11 H 1 0.153 0.02 . 2 . . . . . 381 VAL HG1 . 51649 1 95 . 1 . 1 13 13 VAL HG12 H 1 0.153 0.02 . 2 . . . . . 381 VAL HG1 . 51649 1 96 . 1 . 1 13 13 VAL HG13 H 1 0.153 0.02 . 2 . . . . . 381 VAL HG1 . 51649 1 97 . 1 . 1 13 13 VAL HG21 H 1 0.251 0.02 . 2 . . . . . 381 VAL HG2 . 51649 1 98 . 1 . 1 13 13 VAL HG22 H 1 0.251 0.02 . 2 . . . . . 381 VAL HG2 . 51649 1 99 . 1 . 1 13 13 VAL HG23 H 1 0.251 0.02 . 2 . . . . . 381 VAL HG2 . 51649 1 100 . 1 . 1 13 13 VAL C C 13 175.101 0.3 . 1 . . . . . 381 VAL C . 51649 1 101 . 1 . 1 13 13 VAL CA C 13 61.033 0.3 . 1 . . . . . 381 VAL CA . 51649 1 102 . 1 . 1 13 13 VAL CB C 13 35.77 0.3 . 1 . . . . . 381 VAL CB . 51649 1 103 . 1 . 1 13 13 VAL CG1 C 13 21.02 0.3 . 1 . . . . . 381 VAL CG1 . 51649 1 104 . 1 . 1 13 13 VAL CG2 C 13 22.062 0.3 . 1 . . . . . 381 VAL CG2 . 51649 1 105 . 1 . 1 13 13 VAL N N 15 131.187 0.3 . 1 . . . . . 381 VAL N . 51649 1 106 . 1 . 1 14 14 GLU H H 1 8.974 0.02 . 1 . . . . . 382 GLU H . 51649 1 107 . 1 . 1 14 14 GLU C C 13 178.423 0.3 . 1 . . . . . 382 GLU C . 51649 1 108 . 1 . 1 14 14 GLU CA C 13 56.374 0.3 . 1 . . . . . 382 GLU CA . 51649 1 109 . 1 . 1 14 14 GLU CB C 13 28.814 0.3 . 1 . . . . . 382 GLU CB . 51649 1 110 . 1 . 1 14 14 GLU N N 15 126.119 0.3 . 1 . . . . . 382 GLU N . 51649 1 111 . 1 . 1 15 15 ASN H H 1 9.135 0.02 . 1 . . . . . 383 ASN H . 51649 1 112 . 1 . 1 15 15 ASN C C 13 178.963 0.3 . 1 . . . . . 383 ASN C . 51649 1 113 . 1 . 1 15 15 ASN CA C 13 57.161 0.3 . 1 . . . . . 383 ASN CA . 51649 1 114 . 1 . 1 15 15 ASN CB C 13 37.213 0.3 . 1 . . . . . 383 ASN CB . 51649 1 115 . 1 . 1 15 15 ASN N N 15 121.974 0.3 . 1 . . . . . 383 ASN N . 51649 1 116 . 1 . 1 16 16 GLN H H 1 9.15 0.02 . 1 . . . . . 384 GLN H . 51649 1 117 . 1 . 1 16 16 GLN C C 13 175.499 0.3 . 1 . . . . . 384 GLN C . 51649 1 118 . 1 . 1 16 16 GLN CA C 13 57.818 0.3 . 1 . . . . . 384 GLN CA . 51649 1 119 . 1 . 1 16 16 GLN CB C 13 27.108 0.3 . 1 . . . . . 384 GLN CB . 51649 1 120 . 1 . 1 16 16 GLN N N 15 118.109 0.3 . 1 . . . . . 384 GLN N . 51649 1 121 . 1 . 1 17 17 ASP H H 1 7.582 0.02 . 1 . . . . . 385 ASP H . 51649 1 122 . 1 . 1 17 17 ASP C C 13 175.862 0.3 . 1 . . . . . 385 ASP C . 51649 1 123 . 1 . 1 17 17 ASP CA C 13 54.209 0.3 . 1 . . . . . 385 ASP CA . 51649 1 124 . 1 . 1 17 17 ASP CB C 13 42.332 0.3 . 1 . . . . . 385 ASP CB . 51649 1 125 . 1 . 1 17 17 ASP N N 15 119.986 0.3 . 1 . . . . . 385 ASP N . 51649 1 126 . 1 . 1 18 18 LYS H H 1 6.97 0.02 . 1 . . . . . 386 LYS H . 51649 1 127 . 1 . 1 18 18 LYS C C 13 177.551 0.3 . 1 . . . . . 386 LYS C . 51649 1 128 . 1 . 1 18 18 LYS CA C 13 61.164 0.3 . 1 . . . . . 386 LYS CA . 51649 1 129 . 1 . 1 18 18 LYS CB C 13 32.292 0.3 . 1 . . . . . 386 LYS CB . 51649 1 130 . 1 . 1 18 18 LYS N N 15 121.82 0.3 . 1 . . . . . 386 LYS N . 51649 1 131 . 1 . 1 19 19 LYS H H 1 8.127 0.02 . 1 . . . . . 387 LYS H . 51649 1 132 . 1 . 1 19 19 LYS C C 13 178.243 0.3 . 1 . . . . . 387 LYS C . 51649 1 133 . 1 . 1 19 19 LYS CA C 13 61.82 0.3 . 1 . . . . . 387 LYS CA . 51649 1 134 . 1 . 1 19 19 LYS CB C 13 31.373 0.3 . 1 . . . . . 387 LYS CB . 51649 1 135 . 1 . 1 19 19 LYS N N 15 119.96 0.3 . 1 . . . . . 387 LYS N . 51649 1 136 . 1 . 1 20 20 SER H H 1 7.707 0.02 . 1 . . . . . 388 SER H . 51649 1 137 . 1 . 1 20 20 SER C C 13 177.122 0.3 . 1 . . . . . 388 SER C . 51649 1 138 . 1 . 1 20 20 SER CA C 13 61.504 0.3 . 1 . . . . . 388 SER CA . 51649 1 139 . 1 . 1 20 20 SER CB C 13 62.624 0.3 . 1 . . . . . 388 SER CB . 51649 1 140 . 1 . 1 20 20 SER N N 15 113.782 0.3 . 1 . . . . . 388 SER N . 51649 1 141 . 1 . 1 21 21 ALA H H 1 8.029 0.02 . 1 . . . . . 389 ALA H . 51649 1 142 . 1 . 1 21 21 ALA HB1 H 1 0.917 0.02 . 1 . . . . . 389 ALA HB . 51649 1 143 . 1 . 1 21 21 ALA HB2 H 1 0.917 0.02 . 1 . . . . . 389 ALA HB . 51649 1 144 . 1 . 1 21 21 ALA HB3 H 1 0.917 0.02 . 1 . . . . . 389 ALA HB . 51649 1 145 . 1 . 1 21 21 ALA C C 13 180.901 0.3 . 1 . . . . . 389 ALA C . 51649 1 146 . 1 . 1 21 21 ALA CA C 13 54.93 0.3 . 1 . . . . . 389 ALA CA . 51649 1 147 . 1 . 1 21 21 ALA CB C 13 18.84 0.3 . 1 . . . . . 389 ALA CB . 51649 1 148 . 1 . 1 21 21 ALA N N 15 125.329 0.3 . 1 . . . . . 389 ALA N . 51649 1 149 . 1 . 1 22 22 LEU H H 1 8.737 0.02 . 1 . . . . . 390 LEU H . 51649 1 150 . 1 . 1 22 22 LEU HD11 H 1 0.938 0.02 . 2 . . . . . 390 LEU HD1 . 51649 1 151 . 1 . 1 22 22 LEU HD12 H 1 0.938 0.02 . 2 . . . . . 390 LEU HD1 . 51649 1 152 . 1 . 1 22 22 LEU HD13 H 1 0.938 0.02 . 2 . . . . . 390 LEU HD1 . 51649 1 153 . 1 . 1 22 22 LEU HD21 H 1 1.023 0.02 . 2 . . . . . 390 LEU HD2 . 51649 1 154 . 1 . 1 22 22 LEU HD22 H 1 1.023 0.02 . 2 . . . . . 390 LEU HD2 . 51649 1 155 . 1 . 1 22 22 LEU HD23 H 1 1.023 0.02 . 2 . . . . . 390 LEU HD2 . 51649 1 156 . 1 . 1 22 22 LEU C C 13 177.938 0.3 . 1 . . . . . 390 LEU C . 51649 1 157 . 1 . 1 22 22 LEU CA C 13 58.343 0.3 . 1 . . . . . 390 LEU CA . 51649 1 158 . 1 . 1 22 22 LEU CB C 13 42.135 0.3 . 1 . . . . . 390 LEU CB . 51649 1 159 . 1 . 1 22 22 LEU CD1 C 13 24.377 0.3 . 1 . . . . . 390 LEU CD1 . 51649 1 160 . 1 . 1 22 22 LEU CD2 C 13 28.333 0.3 . 1 . . . . . 390 LEU CD2 . 51649 1 161 . 1 . 1 22 22 LEU N N 15 120.624 0.3 . 1 . . . . . 390 LEU N . 51649 1 162 . 1 . 1 23 23 LEU H H 1 7.961 0.02 . 1 . . . . . 391 LEU H . 51649 1 163 . 1 . 1 23 23 LEU HD11 H 1 0.839 0.02 . 2 . . . . . 391 LEU HD1 . 51649 1 164 . 1 . 1 23 23 LEU HD12 H 1 0.839 0.02 . 2 . . . . . 391 LEU HD1 . 51649 1 165 . 1 . 1 23 23 LEU HD13 H 1 0.839 0.02 . 2 . . . . . 391 LEU HD1 . 51649 1 166 . 1 . 1 23 23 LEU HD21 H 1 0.996 0.02 . 2 . . . . . 391 LEU HD2 . 51649 1 167 . 1 . 1 23 23 LEU HD22 H 1 0.996 0.02 . 2 . . . . . 391 LEU HD2 . 51649 1 168 . 1 . 1 23 23 LEU HD23 H 1 0.996 0.02 . 2 . . . . . 391 LEU HD2 . 51649 1 169 . 1 . 1 23 23 LEU C C 13 180.015 0.3 . 1 . . . . . 391 LEU C . 51649 1 170 . 1 . 1 23 23 LEU CA C 13 58.468 0.3 . 1 . . . . . 391 LEU CA . 51649 1 171 . 1 . 1 23 23 LEU CB C 13 40.954 0.3 . 1 . . . . . 391 LEU CB . 51649 1 172 . 1 . 1 23 23 LEU CD1 C 13 23.211 0.3 . 1 . . . . . 391 LEU CD1 . 51649 1 173 . 1 . 1 23 23 LEU CD2 C 13 25.336 0.3 . 1 . . . . . 391 LEU CD2 . 51649 1 174 . 1 . 1 23 23 LEU N N 15 119.096 0.3 . 1 . . . . . 391 LEU N . 51649 1 175 . 1 . 1 24 24 ASP H H 1 7.752 0.02 . 1 . . . . . 392 ASP H . 51649 1 176 . 1 . 1 24 24 ASP C C 13 179.25 0.3 . 1 . . . . . 392 ASP C . 51649 1 177 . 1 . 1 24 24 ASP CA C 13 57.583 0.3 . 1 . . . . . 392 ASP CA . 51649 1 178 . 1 . 1 24 24 ASP CB C 13 40.499 0.3 . 1 . . . . . 392 ASP CB . 51649 1 179 . 1 . 1 24 24 ASP N N 15 120.026 0.3 . 1 . . . . . 392 ASP N . 51649 1 180 . 1 . 1 25 25 LEU H H 1 7.961 0.02 . 1 . . . . . 393 LEU H . 51649 1 181 . 1 . 1 25 25 LEU HD11 H 1 1.016 0.02 . 2 . . . . . 393 LEU HD1 . 51649 1 182 . 1 . 1 25 25 LEU HD12 H 1 1.016 0.02 . 2 . . . . . 393 LEU HD1 . 51649 1 183 . 1 . 1 25 25 LEU HD13 H 1 1.016 0.02 . 2 . . . . . 393 LEU HD1 . 51649 1 184 . 1 . 1 25 25 LEU HD21 H 1 0.95 0.02 . 2 . . . . . 393 LEU HD2 . 51649 1 185 . 1 . 1 25 25 LEU HD22 H 1 0.95 0.02 . 2 . . . . . 393 LEU HD2 . 51649 1 186 . 1 . 1 25 25 LEU HD23 H 1 0.95 0.02 . 2 . . . . . 393 LEU HD2 . 51649 1 187 . 1 . 1 25 25 LEU C C 13 180.209 0.3 . 1 . . . . . 393 LEU C . 51649 1 188 . 1 . 1 25 25 LEU CA C 13 57.789 0.3 . 1 . . . . . 393 LEU CA . 51649 1 189 . 1 . 1 25 25 LEU CB C 13 42.988 0.3 . 1 . . . . . 393 LEU CB . 51649 1 190 . 1 . 1 25 25 LEU CD1 C 13 25.503 0.3 . 1 . . . . . 393 LEU CD1 . 51649 1 191 . 1 . 1 25 25 LEU CD2 C 13 25.521 0.3 . 1 . . . . . 393 LEU CD2 . 51649 1 192 . 1 . 1 25 25 LEU N N 15 121.953 0.3 . 1 . . . . . 393 LEU N . 51649 1 193 . 1 . 1 26 26 LEU H H 1 8.483 0.02 . 1 . . . . . 394 LEU H . 51649 1 194 . 1 . 1 26 26 LEU HD11 H 1 0.579 0.02 . 2 . . . . . 394 LEU HD1 . 51649 1 195 . 1 . 1 26 26 LEU HD12 H 1 0.579 0.02 . 2 . . . . . 394 LEU HD1 . 51649 1 196 . 1 . 1 26 26 LEU HD13 H 1 0.579 0.02 . 2 . . . . . 394 LEU HD1 . 51649 1 197 . 1 . 1 26 26 LEU HD21 H 1 0.063 0.02 . 2 . . . . . 394 LEU HD2 . 51649 1 198 . 1 . 1 26 26 LEU HD22 H 1 0.063 0.02 . 2 . . . . . 394 LEU HD2 . 51649 1 199 . 1 . 1 26 26 LEU HD23 H 1 0.063 0.02 . 2 . . . . . 394 LEU HD2 . 51649 1 200 . 1 . 1 26 26 LEU C C 13 179.212 0.3 . 1 . . . . . 394 LEU C . 51649 1 201 . 1 . 1 26 26 LEU CA C 13 56.702 0.3 . 1 . . . . . 394 LEU CA . 51649 1 202 . 1 . 1 26 26 LEU CB C 13 41.675 0.3 . 1 . . . . . 394 LEU CB . 51649 1 203 . 1 . 1 26 26 LEU CD1 C 13 22.265 0.3 . 1 . . . . . 394 LEU CD1 . 51649 1 204 . 1 . 1 26 26 LEU CD2 C 13 26.705 0.3 . 1 . . . . . 394 LEU CD2 . 51649 1 205 . 1 . 1 26 26 LEU N N 15 119.096 0.3 . 1 . . . . . 394 LEU N . 51649 1 206 . 1 . 1 27 27 SER H H 1 7.911 0.02 . 1 . . . . . 395 SER H . 51649 1 207 . 1 . 1 27 27 SER C C 13 174.492 0.3 . 1 . . . . . 395 SER C . 51649 1 208 . 1 . 1 27 27 SER CA C 13 60.836 0.3 . 1 . . . . . 395 SER CA . 51649 1 209 . 1 . 1 27 27 SER CB C 13 63.33 0.3 . 1 . . . . . 395 SER CB . 51649 1 210 . 1 . 1 27 27 SER N N 15 114.512 0.3 . 1 . . . . . 395 SER N . 51649 1 211 . 1 . 1 28 28 ALA H H 1 7.338 0.02 . 1 . . . . . 396 ALA H . 51649 1 212 . 1 . 1 28 28 ALA HB1 H 1 1.439 0.02 . 1 . . . . . 396 ALA HB . 51649 1 213 . 1 . 1 28 28 ALA HB2 H 1 1.439 0.02 . 1 . . . . . 396 ALA HB . 51649 1 214 . 1 . 1 28 28 ALA HB3 H 1 1.439 0.02 . 1 . . . . . 396 ALA HB . 51649 1 215 . 1 . 1 28 28 ALA C C 13 177.759 0.3 . 1 . . . . . 396 ALA C . 51649 1 216 . 1 . 1 28 28 ALA CA C 13 52.568 0.3 . 1 . . . . . 396 ALA CA . 51649 1 217 . 1 . 1 28 28 ALA CB C 13 19.43 0.3 . 1 . . . . . 396 ALA CB . 51649 1 218 . 1 . 1 28 28 ALA N N 15 123.465 0.3 . 1 . . . . . 396 ALA N . 51649 1 219 . 1 . 1 29 29 SER H H 1 7.523 0.02 . 1 . . . . . 397 SER H . 51649 1 220 . 1 . 1 29 29 SER C C 13 174.257 0.3 . 1 . . . . . 397 SER C . 51649 1 221 . 1 . 1 29 29 SER CA C 13 58.408 0.3 . 1 . . . . . 397 SER CA . 51649 1 222 . 1 . 1 29 29 SER CB C 13 64.117 0.3 . 1 . . . . . 397 SER CB . 51649 1 223 . 1 . 1 29 29 SER N N 15 114.38 0.3 . 1 . . . . . 397 SER N . 51649 1 224 . 1 . 1 30 30 THR H H 1 8.235 0.02 . 1 . . . . . 398 THR H . 51649 1 225 . 1 . 1 30 30 THR HG21 H 1 1.174 0.02 . 1 . . . . . 398 THR HG2 . 51649 1 226 . 1 . 1 30 30 THR HG22 H 1 1.174 0.02 . 1 . . . . . 398 THR HG2 . 51649 1 227 . 1 . 1 30 30 THR HG23 H 1 1.174 0.02 . 1 . . . . . 398 THR HG2 . 51649 1 228 . 1 . 1 30 30 THR C C 13 174.26 0.3 . 1 . . . . . 398 THR C . 51649 1 229 . 1 . 1 30 30 THR CA C 13 61.689 0.3 . 1 . . . . . 398 THR CA . 51649 1 230 . 1 . 1 30 30 THR CB C 13 69.695 0.3 . 1 . . . . . 398 THR CB . 51649 1 231 . 1 . 1 30 30 THR CG2 C 13 21.703 0.3 . 1 . . . . . 398 THR CG2 . 51649 1 232 . 1 . 1 30 30 THR N N 15 116.372 0.3 . 1 . . . . . 398 THR N . 51649 1 233 . 1 . 1 31 31 ASP H H 1 8.203 0.02 . 1 . . . . . 399 ASP H . 51649 1 234 . 1 . 1 31 31 ASP C C 13 176.153 0.3 . 1 . . . . . 399 ASP C . 51649 1 235 . 1 . 1 31 31 ASP CA C 13 54.537 0.3 . 1 . . . . . 399 ASP CA . 51649 1 236 . 1 . 1 31 31 ASP CB C 13 41.479 0.3 . 1 . . . . . 399 ASP CB . 51649 1 237 . 1 . 1 31 31 ASP N N 15 123.348 0.3 . 1 . . . . . 399 ASP N . 51649 1 238 . 1 . 1 32 32 GLY H H 1 7.993 0.02 . 1 . . . . . 400 GLY H . 51649 1 239 . 1 . 1 32 32 GLY C C 13 173.481 0.3 . 1 . . . . . 400 GLY C . 51649 1 240 . 1 . 1 32 32 GLY CA C 13 45.022 0.3 . 1 . . . . . 400 GLY CA . 51649 1 241 . 1 . 1 32 32 GLY N N 15 109.663 0.3 . 1 . . . . . 400 GLY N . 51649 1 242 . 1 . 1 33 33 LEU H H 1 8.219 0.02 . 1 . . . . . 401 LEU H . 51649 1 243 . 1 . 1 33 33 LEU HD11 H 1 0.475 0.02 . 2 . . . . . 401 LEU HD1 . 51649 1 244 . 1 . 1 33 33 LEU HD12 H 1 0.475 0.02 . 2 . . . . . 401 LEU HD1 . 51649 1 245 . 1 . 1 33 33 LEU HD13 H 1 0.475 0.02 . 2 . . . . . 401 LEU HD1 . 51649 1 246 . 1 . 1 33 33 LEU HD21 H 1 0.252 0.02 . 2 . . . . . 401 LEU HD2 . 51649 1 247 . 1 . 1 33 33 LEU HD22 H 1 0.252 0.02 . 2 . . . . . 401 LEU HD2 . 51649 1 248 . 1 . 1 33 33 LEU HD23 H 1 0.252 0.02 . 2 . . . . . 401 LEU HD2 . 51649 1 249 . 1 . 1 33 33 LEU C C 13 177.26 0.3 . 1 . . . . . 401 LEU C . 51649 1 250 . 1 . 1 33 33 LEU CA C 13 55.193 0.3 . 1 . . . . . 401 LEU CA . 51649 1 251 . 1 . 1 33 33 LEU CB C 13 43.381 0.3 . 1 . . . . . 401 LEU CB . 51649 1 252 . 1 . 1 33 33 LEU CD1 C 13 22.512 0.3 . 1 . . . . . 401 LEU CD1 . 51649 1 253 . 1 . 1 33 33 LEU CD2 C 13 24.537 0.3 . 1 . . . . . 401 LEU CD2 . 51649 1 254 . 1 . 1 33 33 LEU N N 15 122.118 0.3 . 1 . . . . . 401 LEU N . 51649 1 255 . 1 . 1 34 34 THR H H 1 8.553 0.02 . 1 . . . . . 402 THR H . 51649 1 256 . 1 . 1 34 34 THR HG21 H 1 0.835 0.02 . 1 . . . . . 402 THR HG2 . 51649 1 257 . 1 . 1 34 34 THR HG22 H 1 0.835 0.02 . 1 . . . . . 402 THR HG2 . 51649 1 258 . 1 . 1 34 34 THR HG23 H 1 0.835 0.02 . 1 . . . . . 402 THR HG2 . 51649 1 259 . 1 . 1 34 34 THR C C 13 171.336 0.3 . 1 . . . . . 402 THR C . 51649 1 260 . 1 . 1 34 34 THR CA C 13 62.477 0.3 . 1 . . . . . 402 THR CA . 51649 1 261 . 1 . 1 34 34 THR CB C 13 71.204 0.3 . 1 . . . . . 402 THR CB . 51649 1 262 . 1 . 1 34 34 THR CG2 C 13 20.804 0.3 . 1 . . . . . 402 THR CG2 . 51649 1 263 . 1 . 1 34 34 THR N N 15 120.757 0.3 . 1 . . . . . 402 THR N . 51649 1 264 . 1 . 1 35 35 LEU H H 1 8.54 0.02 . 1 . . . . . 403 LEU H . 51649 1 265 . 1 . 1 35 35 LEU HD11 H 1 0.294 0.02 . 2 . . . . . 403 LEU HD1 . 51649 1 266 . 1 . 1 35 35 LEU HD12 H 1 0.294 0.02 . 2 . . . . . 403 LEU HD1 . 51649 1 267 . 1 . 1 35 35 LEU HD13 H 1 0.294 0.02 . 2 . . . . . 403 LEU HD1 . 51649 1 268 . 1 . 1 35 35 LEU HD21 H 1 0.483 0.02 . 2 . . . . . 403 LEU HD2 . 51649 1 269 . 1 . 1 35 35 LEU HD22 H 1 0.483 0.02 . 2 . . . . . 403 LEU HD2 . 51649 1 270 . 1 . 1 35 35 LEU HD23 H 1 0.483 0.02 . 2 . . . . . 403 LEU HD2 . 51649 1 271 . 1 . 1 35 35 LEU C C 13 173.218 0.3 . 1 . . . . . 403 LEU C . 51649 1 272 . 1 . 1 35 35 LEU CA C 13 52.634 0.3 . 1 . . . . . 403 LEU CA . 51649 1 273 . 1 . 1 35 35 LEU CB C 13 47.712 0.3 . 1 . . . . . 403 LEU CB . 51649 1 274 . 1 . 1 35 35 LEU CD1 C 13 23.847 0.3 . 1 . . . . . 403 LEU CD1 . 51649 1 275 . 1 . 1 35 35 LEU CD2 C 13 27.361 0.3 . 1 . . . . . 403 LEU CD2 . 51649 1 276 . 1 . 1 35 35 LEU N N 15 130.522 0.3 . 1 . . . . . 403 LEU N . 51649 1 277 . 1 . 1 36 36 ILE H H 1 9.159 0.02 . 1 . . . . . 404 ILE H . 51649 1 278 . 1 . 1 36 36 ILE HG21 H 1 0.537 0.02 . 1 . . . . . 404 ILE HG2 . 51649 1 279 . 1 . 1 36 36 ILE HG22 H 1 0.537 0.02 . 1 . . . . . 404 ILE HG2 . 51649 1 280 . 1 . 1 36 36 ILE HG23 H 1 0.537 0.02 . 1 . . . . . 404 ILE HG2 . 51649 1 281 . 1 . 1 36 36 ILE HD11 H 1 0.589 0.02 . 1 . . . . . 404 ILE HD1 . 51649 1 282 . 1 . 1 36 36 ILE HD12 H 1 0.589 0.02 . 1 . . . . . 404 ILE HD1 . 51649 1 283 . 1 . 1 36 36 ILE HD13 H 1 0.589 0.02 . 1 . . . . . 404 ILE HD1 . 51649 1 284 . 1 . 1 36 36 ILE C C 13 174.049 0.3 . 1 . . . . . 404 ILE C . 51649 1 285 . 1 . 1 36 36 ILE CA C 13 59.721 0.3 . 1 . . . . . 404 ILE CA . 51649 1 286 . 1 . 1 36 36 ILE CB C 13 40.101 0.3 . 1 . . . . . 404 ILE CB . 51649 1 287 . 1 . 1 36 36 ILE CG2 C 13 18.075 0.3 . 1 . . . . . 404 ILE CG2 . 51649 1 288 . 1 . 1 36 36 ILE CD1 C 13 15.391 0.3 . 1 . . . . . 404 ILE CD1 . 51649 1 289 . 1 . 1 36 36 ILE N N 15 126.99 0.3 . 1 . . . . . 404 ILE N . 51649 1 290 . 1 . 1 37 37 PHE H H 1 8.807 0.02 . 1 . . . . . 405 PHE H . 51649 1 291 . 1 . 1 37 37 PHE C C 13 175.931 0.3 . 1 . . . . . 405 PHE C . 51649 1 292 . 1 . 1 37 37 PHE CA C 13 57.818 0.3 . 1 . . . . . 405 PHE CA . 51649 1 293 . 1 . 1 37 37 PHE CB C 13 42.528 0.3 . 1 . . . . . 405 PHE CB . 51649 1 294 . 1 . 1 37 37 PHE N N 15 123.68 0.3 . 1 . . . . . 405 PHE N . 51649 1 295 . 1 . 1 38 38 VAL H H 1 8.26 0.02 . 1 . . . . . 406 VAL H . 51649 1 296 . 1 . 1 38 38 VAL HG11 H 1 0.442 0.02 . 2 . . . . . 406 VAL HG1 . 51649 1 297 . 1 . 1 38 38 VAL HG12 H 1 0.442 0.02 . 2 . . . . . 406 VAL HG1 . 51649 1 298 . 1 . 1 38 38 VAL HG13 H 1 0.442 0.02 . 2 . . . . . 406 VAL HG1 . 51649 1 299 . 1 . 1 38 38 VAL HG21 H 1 0.424 0.02 . 2 . . . . . 406 VAL HG2 . 51649 1 300 . 1 . 1 38 38 VAL HG22 H 1 0.424 0.02 . 2 . . . . . 406 VAL HG2 . 51649 1 301 . 1 . 1 38 38 VAL HG23 H 1 0.424 0.02 . 2 . . . . . 406 VAL HG2 . 51649 1 302 . 1 . 1 38 38 VAL C C 13 176.208 0.3 . 1 . . . . . 406 VAL C . 51649 1 303 . 1 . 1 38 38 VAL CA C 13 58.031 0.3 . 1 . . . . . 406 VAL CA . 51649 1 304 . 1 . 1 38 38 VAL CB C 13 35.07 0.3 . 1 . . . . . 406 VAL CB . 51649 1 305 . 1 . 1 38 38 VAL CG1 C 13 18.685 0.3 . 1 . . . . . 406 VAL CG1 . 51649 1 306 . 1 . 1 38 38 VAL CG2 C 13 22.978 0.3 . 1 . . . . . 406 VAL CG2 . 51649 1 307 . 1 . 1 38 38 VAL N N 15 112.984 0.3 . 1 . . . . . 406 VAL N . 51649 1 308 . 1 . 1 39 39 GLU H H 1 10.371 0.02 . 1 . . . . . 407 GLU H . 51649 1 309 . 1 . 1 39 39 GLU C C 13 177.384 0.3 . 1 . . . . . 407 GLU C . 51649 1 310 . 1 . 1 39 39 GLU CA C 13 58.736 0.3 . 1 . . . . . 407 GLU CA . 51649 1 311 . 1 . 1 39 39 GLU CB C 13 30.651 0.3 . 1 . . . . . 407 GLU CB . 51649 1 312 . 1 . 1 39 39 GLU N N 15 121.488 0.3 . 1 . . . . . 407 GLU N . 51649 1 313 . 1 . 1 40 40 THR H H 1 7.053 0.02 . 1 . . . . . 408 THR H . 51649 1 314 . 1 . 1 40 40 THR C C 13 174.616 0.3 . 1 . . . . . 408 THR C . 51649 1 315 . 1 . 1 40 40 THR CA C 13 58.939 0.3 . 1 . . . . . 408 THR CA . 51649 1 316 . 1 . 1 40 40 THR CB C 13 72.779 0.3 . 1 . . . . . 408 THR CB . 51649 1 317 . 1 . 1 40 40 THR N N 15 103.922 0.3 . 1 . . . . . 408 THR N . 51649 1 318 . 1 . 1 41 41 LYS H H 1 8.443 0.02 . 1 . . . . . 409 LYS H . 51649 1 319 . 1 . 1 41 41 LYS C C 13 177.592 0.3 . 1 . . . . . 409 LYS C . 51649 1 320 . 1 . 1 41 41 LYS CA C 13 59.261 0.3 . 1 . . . . . 409 LYS CA . 51649 1 321 . 1 . 1 41 41 LYS CB C 13 31.57 0.3 . 1 . . . . . 409 LYS CB . 51649 1 322 . 1 . 1 41 41 LYS N N 15 122.71 0.3 . 1 . . . . . 409 LYS N . 51649 1 323 . 1 . 1 42 42 ARG H H 1 7.803 0.02 . 1 . . . . . 410 ARG H . 51649 1 324 . 1 . 1 42 42 ARG C C 13 178.769 0.3 . 1 . . . . . 410 ARG C . 51649 1 325 . 1 . 1 42 42 ARG CA C 13 58.84 0.3 . 1 . . . . . 410 ARG CA . 51649 1 326 . 1 . 1 42 42 ARG CB C 13 29.798 0.3 . 1 . . . . . 410 ARG CB . 51649 1 327 . 1 . 1 42 42 ARG N N 15 118.033 0.3 . 1 . . . . . 410 ARG N . 51649 1 328 . 1 . 1 43 43 MET H H 1 7.633 0.02 . 1 . . . . . 411 MET H . 51649 1 329 . 1 . 1 43 43 MET C C 13 177.772 0.3 . 1 . . . . . 411 MET C . 51649 1 330 . 1 . 1 43 43 MET CA C 13 55.849 0.3 . 1 . . . . . 411 MET CA . 51649 1 331 . 1 . 1 43 43 MET CB C 13 31.701 0.3 . 1 . . . . . 411 MET CB . 51649 1 332 . 1 . 1 43 43 MET N N 15 118.876 0.3 . 1 . . . . . 411 MET N . 51649 1 333 . 1 . 1 44 44 ALA H H 1 7.834 0.02 . 1 . . . . . 412 ALA H . 51649 1 334 . 1 . 1 44 44 ALA HB1 H 1 1.155 0.02 . 1 . . . . . 412 ALA HB . 51649 1 335 . 1 . 1 44 44 ALA HB2 H 1 1.155 0.02 . 1 . . . . . 412 ALA HB . 51649 1 336 . 1 . 1 44 44 ALA HB3 H 1 1.155 0.02 . 1 . . . . . 412 ALA HB . 51649 1 337 . 1 . 1 44 44 ALA C C 13 179.821 0.3 . 1 . . . . . 412 ALA C . 51649 1 338 . 1 . 1 44 44 ALA CA C 13 55.127 0.3 . 1 . . . . . 412 ALA CA . 51649 1 339 . 1 . 1 44 44 ALA CB C 13 16.937 0.3 . 1 . . . . . 412 ALA CB . 51649 1 340 . 1 . 1 44 44 ALA N N 15 122.484 0.3 . 1 . . . . . 412 ALA N . 51649 1 341 . 1 . 1 45 45 ASP H H 1 7.777 0.02 . 1 . . . . . 413 ASP H . 51649 1 342 . 1 . 1 45 45 ASP C C 13 178.354 0.3 . 1 . . . . . 413 ASP C . 51649 1 343 . 1 . 1 45 45 ASP CA C 13 57.883 0.3 . 1 . . . . . 413 ASP CA . 51649 1 344 . 1 . 1 45 45 ASP CB C 13 40.494 0.3 . 1 . . . . . 413 ASP CB . 51649 1 345 . 1 . 1 45 45 ASP N N 15 120.624 0.3 . 1 . . . . . 413 ASP N . 51649 1 346 . 1 . 1 46 46 GLN H H 1 8.209 0.02 . 1 . . . . . 414 GLN H . 51649 1 347 . 1 . 1 46 46 GLN C C 13 180.125 0.3 . 1 . . . . . 414 GLN C . 51649 1 348 . 1 . 1 46 46 GLN CA C 13 59.13 0.3 . 1 . . . . . 414 GLN CA . 51649 1 349 . 1 . 1 46 46 GLN CB C 13 29.076 0.3 . 1 . . . . . 414 GLN CB . 51649 1 350 . 1 . 1 46 46 GLN N N 15 119.362 0.3 . 1 . . . . . 414 GLN N . 51649 1 351 . 1 . 1 47 47 LEU H H 1 9.15 0.02 . 1 . . . . . 415 LEU H . 51649 1 352 . 1 . 1 47 47 LEU HD11 H 1 0.425 0.02 . 2 . . . . . 415 LEU HD1 . 51649 1 353 . 1 . 1 47 47 LEU HD12 H 1 0.425 0.02 . 2 . . . . . 415 LEU HD1 . 51649 1 354 . 1 . 1 47 47 LEU HD13 H 1 0.425 0.02 . 2 . . . . . 415 LEU HD1 . 51649 1 355 . 1 . 1 47 47 LEU HD21 H 1 0.05 0.02 . 2 . . . . . 415 LEU HD2 . 51649 1 356 . 1 . 1 47 47 LEU HD22 H 1 0.05 0.02 . 2 . . . . . 415 LEU HD2 . 51649 1 357 . 1 . 1 47 47 LEU HD23 H 1 0.05 0.02 . 2 . . . . . 415 LEU HD2 . 51649 1 358 . 1 . 1 47 47 LEU C C 13 178.423 0.3 . 1 . . . . . 415 LEU C . 51649 1 359 . 1 . 1 47 47 LEU CA C 13 57.161 0.3 . 1 . . . . . 415 LEU CA . 51649 1 360 . 1 . 1 47 47 LEU CB C 13 42.332 0.3 . 1 . . . . . 415 LEU CB . 51649 1 361 . 1 . 1 47 47 LEU CD1 C 13 23.177 0.3 . 1 . . . . . 415 LEU CD1 . 51649 1 362 . 1 . 1 47 47 LEU CD2 C 13 24.592 0.3 . 1 . . . . . 415 LEU CD2 . 51649 1 363 . 1 . 1 47 47 LEU N N 15 121.488 0.3 . 1 . . . . . 415 LEU N . 51649 1 364 . 1 . 1 48 48 THR H H 1 7.527 0.02 . 1 . . . . . 416 THR H . 51649 1 365 . 1 . 1 48 48 THR HG21 H 1 0.928 0.02 . 1 . . . . . 416 THR HG2 . 51649 1 366 . 1 . 1 48 48 THR HG22 H 1 0.928 0.02 . 1 . . . . . 416 THR HG2 . 51649 1 367 . 1 . 1 48 48 THR HG23 H 1 0.928 0.02 . 1 . . . . . 416 THR HG2 . 51649 1 368 . 1 . 1 48 48 THR C C 13 178.008 0.3 . 1 . . . . . 416 THR C . 51649 1 369 . 1 . 1 48 48 THR CA C 13 67.267 0.3 . 1 . . . . . 416 THR CA . 51649 1 370 . 1 . 1 48 48 THR CB C 13 69.039 0.3 . 1 . . . . . 416 THR CB . 51649 1 371 . 1 . 1 48 48 THR CG2 C 13 20.831 0.3 . 1 . . . . . 416 THR CG2 . 51649 1 372 . 1 . 1 48 48 THR N N 15 117.202 0.3 . 1 . . . . . 416 THR N . 51649 1 373 . 1 . 1 49 49 ASP H H 1 7.598 0.02 . 1 . . . . . 417 ASP H . 51649 1 374 . 1 . 1 49 49 ASP C C 13 178.478 0.3 . 1 . . . . . 417 ASP C . 51649 1 375 . 1 . 1 49 49 ASP CA C 13 57.949 0.3 . 1 . . . . . 417 ASP CA . 51649 1 376 . 1 . 1 49 49 ASP CB C 13 40.691 0.3 . 1 . . . . . 417 ASP CB . 51649 1 377 . 1 . 1 49 49 ASP N N 15 120.58 0.3 . 1 . . . . . 417 ASP N . 51649 1 378 . 1 . 1 50 50 PHE H H 1 7.745 0.02 . 1 . . . . . 418 PHE H . 51649 1 379 . 1 . 1 50 50 PHE C C 13 176.624 0.3 . 1 . . . . . 418 PHE C . 51649 1 380 . 1 . 1 50 50 PHE CA C 13 60.902 0.3 . 1 . . . . . 418 PHE CA . 51649 1 381 . 1 . 1 50 50 PHE CB C 13 39.051 0.3 . 1 . . . . . 418 PHE CB . 51649 1 382 . 1 . 1 50 50 PHE N N 15 120.89 0.3 . 1 . . . . . 418 PHE N . 51649 1 383 . 1 . 1 51 51 LEU H H 1 8.476 0.02 . 1 . . . . . 419 LEU H . 51649 1 384 . 1 . 1 51 51 LEU HD11 H 1 0.334 0.02 . 2 . . . . . 419 LEU HD1 . 51649 1 385 . 1 . 1 51 51 LEU HD12 H 1 0.334 0.02 . 2 . . . . . 419 LEU HD1 . 51649 1 386 . 1 . 1 51 51 LEU HD13 H 1 0.334 0.02 . 2 . . . . . 419 LEU HD1 . 51649 1 387 . 1 . 1 51 51 LEU HD21 H 1 0.43 0.02 . 2 . . . . . 419 LEU HD2 . 51649 1 388 . 1 . 1 51 51 LEU HD22 H 1 0.43 0.02 . 2 . . . . . 419 LEU HD2 . 51649 1 389 . 1 . 1 51 51 LEU HD23 H 1 0.43 0.02 . 2 . . . . . 419 LEU HD2 . 51649 1 390 . 1 . 1 51 51 LEU C C 13 179.669 0.3 . 1 . . . . . 419 LEU C . 51649 1 391 . 1 . 1 51 51 LEU CA C 13 58.146 0.3 . 1 . . . . . 419 LEU CA . 51649 1 392 . 1 . 1 51 51 LEU CB C 13 41.347 0.3 . 1 . . . . . 419 LEU CB . 51649 1 393 . 1 . 1 51 51 LEU CD1 C 13 22.363 0.3 . 1 . . . . . 419 LEU CD1 . 51649 1 394 . 1 . 1 51 51 LEU CD2 C 13 25.886 0.3 . 1 . . . . . 419 LEU CD2 . 51649 1 395 . 1 . 1 51 51 LEU N N 15 119.893 0.3 . 1 . . . . . 419 LEU N . 51649 1 396 . 1 . 1 52 52 ILE H H 1 8.457 0.02 . 1 . . . . . 420 ILE H . 51649 1 397 . 1 . 1 52 52 ILE HG21 H 1 0.928 0.02 . 1 . . . . . 420 ILE HG2 . 51649 1 398 . 1 . 1 52 52 ILE HG22 H 1 0.928 0.02 . 1 . . . . . 420 ILE HG2 . 51649 1 399 . 1 . 1 52 52 ILE HG23 H 1 0.928 0.02 . 1 . . . . . 420 ILE HG2 . 51649 1 400 . 1 . 1 52 52 ILE HD11 H 1 0.94 0.02 . 1 . . . . . 420 ILE HD1 . 51649 1 401 . 1 . 1 52 52 ILE HD12 H 1 0.94 0.02 . 1 . . . . . 420 ILE HD1 . 51649 1 402 . 1 . 1 52 52 ILE HD13 H 1 0.94 0.02 . 1 . . . . . 420 ILE HD1 . 51649 1 403 . 1 . 1 52 52 ILE C C 13 181.551 0.3 . 1 . . . . . 420 ILE C . 51649 1 404 . 1 . 1 52 52 ILE CA C 13 64.905 0.3 . 1 . . . . . 420 ILE CA . 51649 1 405 . 1 . 1 52 52 ILE CB C 13 37.804 0.3 . 1 . . . . . 420 ILE CB . 51649 1 406 . 1 . 1 52 52 ILE CG2 C 13 17.133 0.3 . 1 . . . . . 420 ILE CG2 . 51649 1 407 . 1 . 1 52 52 ILE CD1 C 13 13.327 0.3 . 1 . . . . . 420 ILE CD1 . 51649 1 408 . 1 . 1 52 52 ILE N N 15 122.152 0.3 . 1 . . . . . 420 ILE N . 51649 1 409 . 1 . 1 53 53 MET H H 1 8.039 0.02 . 1 . . . . . 421 MET H . 51649 1 410 . 1 . 1 53 53 MET C C 13 177.496 0.3 . 1 . . . . . 421 MET C . 51649 1 411 . 1 . 1 53 53 MET CA C 13 58.277 0.3 . 1 . . . . . 421 MET CA . 51649 1 412 . 1 . 1 53 53 MET CB C 13 31.636 0.3 . 1 . . . . . 421 MET CB . 51649 1 413 . 1 . 1 53 53 MET N N 15 122.76 0.3 . 1 . . . . . 421 MET N . 51649 1 414 . 1 . 1 54 54 GLN H H 1 7.326 0.02 . 1 . . . . . 422 GLN H . 51649 1 415 . 1 . 1 54 54 GLN C C 13 174.077 0.3 . 1 . . . . . 422 GLN C . 51649 1 416 . 1 . 1 54 54 GLN CA C 13 54.274 0.3 . 1 . . . . . 422 GLN CA . 51649 1 417 . 1 . 1 54 54 GLN CB C 13 26.911 0.3 . 1 . . . . . 422 GLN CB . 51649 1 418 . 1 . 1 54 54 GLN N N 15 117.072 0.3 . 1 . . . . . 422 GLN N . 51649 1 419 . 1 . 1 55 55 ASN H H 1 7.828 0.02 . 1 . . . . . 423 ASN H . 51649 1 420 . 1 . 1 55 55 ASN C C 13 174.533 0.3 . 1 . . . . . 423 ASN C . 51649 1 421 . 1 . 1 55 55 ASN CA C 13 54.996 0.3 . 1 . . . . . 423 ASN CA . 51649 1 422 . 1 . 1 55 55 ASN CB C 13 36.426 0.3 . 1 . . . . . 423 ASN CB . 51649 1 423 . 1 . 1 55 55 ASN N N 15 111.561 0.3 . 1 . . . . . 423 ASN N . 51649 1 424 . 1 . 1 56 56 PHE H H 1 8.076 0.02 . 1 . . . . . 424 PHE H . 51649 1 425 . 1 . 1 56 56 PHE C C 13 176.527 0.3 . 1 . . . . . 424 PHE C . 51649 1 426 . 1 . 1 56 56 PHE CA C 13 58.08 0.3 . 1 . . . . . 424 PHE CA . 51649 1 427 . 1 . 1 56 56 PHE CB C 13 40.429 0.3 . 1 . . . . . 424 PHE CB . 51649 1 428 . 1 . 1 56 56 PHE N N 15 117.037 0.3 . 1 . . . . . 424 PHE N . 51649 1 429 . 1 . 1 57 57 ARG H H 1 9.08 0.02 . 1 . . . . . 425 ARG H . 51649 1 430 . 1 . 1 57 57 ARG C C 13 174.16 0.3 . 1 . . . . . 425 ARG C . 51649 1 431 . 1 . 1 57 57 ARG CA C 13 55.324 0.3 . 1 . . . . . 425 ARG CA . 51649 1 432 . 1 . 1 57 57 ARG CB C 13 28.355 0.3 . 1 . . . . . 425 ARG CB . 51649 1 433 . 1 . 1 57 57 ARG N N 15 123.414 0.3 . 1 . . . . . 425 ARG N . 51649 1 434 . 1 . 1 58 58 ALA H H 1 6.75 0.02 . 1 . . . . . 426 ALA H . 51649 1 435 . 1 . 1 58 58 ALA HB1 H 1 1.241 0.02 . 1 . . . . . 426 ALA HB . 51649 1 436 . 1 . 1 58 58 ALA HB2 H 1 1.241 0.02 . 1 . . . . . 426 ALA HB . 51649 1 437 . 1 . 1 58 58 ALA HB3 H 1 1.241 0.02 . 1 . . . . . 426 ALA HB . 51649 1 438 . 1 . 1 58 58 ALA C C 13 175.585 0.3 . 1 . . . . . 426 ALA C . 51649 1 439 . 1 . 1 58 58 ALA CA C 13 49.418 0.3 . 1 . . . . . 426 ALA CA . 51649 1 440 . 1 . 1 58 58 ALA CB C 13 23.827 0.3 . 1 . . . . . 426 ALA CB . 51649 1 441 . 1 . 1 58 58 ALA N N 15 124.773 0.3 . 1 . . . . . 426 ALA N . 51649 1 442 . 1 . 1 59 59 THR H H 1 8.142 0.02 . 1 . . . . . 427 THR H . 51649 1 443 . 1 . 1 59 59 THR HG21 H 1 0.922 0.02 . 1 . . . . . 427 THR HG2 . 51649 1 444 . 1 . 1 59 59 THR HG22 H 1 0.922 0.02 . 1 . . . . . 427 THR HG2 . 51649 1 445 . 1 . 1 59 59 THR HG23 H 1 0.922 0.02 . 1 . . . . . 427 THR HG2 . 51649 1 446 . 1 . 1 59 59 THR C C 13 170.242 0.3 . 1 . . . . . 427 THR C . 51649 1 447 . 1 . 1 59 59 THR CA C 13 60.705 0.3 . 1 . . . . . 427 THR CA . 51649 1 448 . 1 . 1 59 59 THR CB C 13 23.761 0.3 . 1 . . . . . 427 THR CB . 51649 1 449 . 1 . 1 59 59 THR CG2 C 13 19.723 0.3 . 1 . . . . . 427 THR CG2 . 51649 1 450 . 1 . 1 59 59 THR N N 15 115.816 0.3 . 1 . . . . . 427 THR N . 51649 1 451 . 1 . 1 60 60 ALA H H 1 7.692 0.02 . 1 . . . . . 428 ALA H . 51649 1 452 . 1 . 1 60 60 ALA HB1 H 1 1.24 0.02 . 1 . . . . . 428 ALA HB . 51649 1 453 . 1 . 1 60 60 ALA HB2 H 1 1.24 0.02 . 1 . . . . . 428 ALA HB . 51649 1 454 . 1 . 1 60 60 ALA HB3 H 1 1.24 0.02 . 1 . . . . . 428 ALA HB . 51649 1 455 . 1 . 1 60 60 ALA C C 13 177.371 0.3 . 1 . . . . . 428 ALA C . 51649 1 456 . 1 . 1 60 60 ALA CA C 13 50.534 0.3 . 1 . . . . . 428 ALA CA . 51649 1 457 . 1 . 1 60 60 ALA CB C 13 22.711 0.3 . 1 . . . . . 428 ALA CB . 51649 1 458 . 1 . 1 60 60 ALA N N 15 124.314 0.3 . 1 . . . . . 428 ALA N . 51649 1 459 . 1 . 1 61 61 ILE H H 1 8.561 0.02 . 1 . . . . . 429 ILE H . 51649 1 460 . 1 . 1 61 61 ILE HG21 H 1 0.654 0.02 . 1 . . . . . 429 ILE HG2 . 51649 1 461 . 1 . 1 61 61 ILE HG22 H 1 0.654 0.02 . 1 . . . . . 429 ILE HG2 . 51649 1 462 . 1 . 1 61 61 ILE HG23 H 1 0.654 0.02 . 1 . . . . . 429 ILE HG2 . 51649 1 463 . 1 . 1 61 61 ILE HD11 H 1 0.624 0.02 . 1 . . . . . 429 ILE HD1 . 51649 1 464 . 1 . 1 61 61 ILE HD12 H 1 0.624 0.02 . 1 . . . . . 429 ILE HD1 . 51649 1 465 . 1 . 1 61 61 ILE HD13 H 1 0.624 0.02 . 1 . . . . . 429 ILE HD1 . 51649 1 466 . 1 . 1 61 61 ILE C C 13 172.194 0.3 . 1 . . . . . 429 ILE C . 51649 1 467 . 1 . 1 61 61 ILE CA C 13 61.755 0.3 . 1 . . . . . 429 ILE CA . 51649 1 468 . 1 . 1 61 61 ILE CB C 13 41.938 0.3 . 1 . . . . . 429 ILE CB . 51649 1 469 . 1 . 1 61 61 ILE CG2 C 13 17.856 0.3 . 1 . . . . . 429 ILE CG2 . 51649 1 470 . 1 . 1 61 61 ILE CD1 C 13 13.949 0.3 . 1 . . . . . 429 ILE CD1 . 51649 1 471 . 1 . 1 61 61 ILE N N 15 116.303 0.3 . 1 . . . . . 429 ILE N . 51649 1 472 . 1 . 1 62 62 HIS H H 1 6.264 0.02 . 1 . . . . . 430 HIS H . 51649 1 473 . 1 . 1 62 62 HIS C C 13 176.473 0.3 . 1 . . . . . 430 HIS C . 51649 1 474 . 1 . 1 62 62 HIS CA C 13 54.537 0.3 . 1 . . . . . 430 HIS CA . 51649 1 475 . 1 . 1 62 62 HIS CB C 13 32.62 0.3 . 1 . . . . . 430 HIS CB . 51649 1 476 . 1 . 1 62 62 HIS N N 15 115.431 0.3 . 1 . . . . . 430 HIS N . 51649 1 477 . 1 . 1 63 63 GLY H H 1 9.045 0.02 . 1 . . . . . 431 GLY H . 51649 1 478 . 1 . 1 63 63 GLY C C 13 174.146 0.3 . 1 . . . . . 431 GLY C . 51649 1 479 . 1 . 1 63 63 GLY CA C 13 46.794 0.3 . 1 . . . . . 431 GLY CA . 51649 1 480 . 1 . 1 63 63 GLY N N 15 107.996 0.3 . 1 . . . . . 431 GLY N . 51649 1 481 . 1 . 1 64 64 ASP H H 1 9.535 0.02 . 1 . . . . . 432 ASP H . 51649 1 482 . 1 . 1 64 64 ASP C C 13 177.149 0.3 . 1 . . . . . 432 ASP C . 51649 1 483 . 1 . 1 64 64 ASP CA C 13 54.34 0.3 . 1 . . . . . 432 ASP CA . 51649 1 484 . 1 . 1 64 64 ASP CB C 13 40.954 0.3 . 1 . . . . . 432 ASP CB . 51649 1 485 . 1 . 1 64 64 ASP N N 15 121.495 0.3 . 1 . . . . . 432 ASP N . 51649 1 486 . 1 . 1 65 65 ARG H H 1 7.157 0.02 . 1 . . . . . 433 ARG H . 51649 1 487 . 1 . 1 65 65 ARG C C 13 177.075 0.3 . 1 . . . . . 433 ARG C . 51649 1 488 . 1 . 1 65 65 ARG CA C 13 54.236 0.3 . 1 . . . . . 433 ARG CA . 51649 1 489 . 1 . 1 65 65 ARG CB C 13 29.93 0.3 . 1 . . . . . 433 ARG CB . 51649 1 490 . 1 . 1 65 65 ARG N N 15 119.999 0.3 . 1 . . . . . 433 ARG N . 51649 1 491 . 1 . 1 66 66 THR H H 1 9.11 0.02 . 1 . . . . . 434 THR H . 51649 1 492 . 1 . 1 66 66 THR HG21 H 1 1.288 0.02 . 1 . . . . . 434 THR HG2 . 51649 1 493 . 1 . 1 66 66 THR HG22 H 1 1.288 0.02 . 1 . . . . . 434 THR HG2 . 51649 1 494 . 1 . 1 66 66 THR HG23 H 1 1.288 0.02 . 1 . . . . . 434 THR HG2 . 51649 1 495 . 1 . 1 66 66 THR C C 13 175.239 0.3 . 1 . . . . . 434 THR C . 51649 1 496 . 1 . 1 66 66 THR CA C 13 61.492 0.3 . 1 . . . . . 434 THR CA . 51649 1 497 . 1 . 1 66 66 THR CB C 13 70.81 0.3 . 1 . . . . . 434 THR CB . 51649 1 498 . 1 . 1 66 66 THR CG2 C 13 21.912 0.3 . 1 . . . . . 434 THR CG2 . 51649 1 499 . 1 . 1 66 66 THR N N 15 116.134 0.3 . 1 . . . . . 434 THR N . 51649 1 500 . 1 . 1 67 67 GLN H H 1 8.965 0.02 . 1 . . . . . 435 GLN H . 51649 1 501 . 1 . 1 67 67 GLN C C 13 178.367 0.3 . 1 . . . . . 435 GLN C . 51649 1 502 . 1 . 1 67 67 GLN CA C 13 60.114 0.3 . 1 . . . . . 435 GLN CA . 51649 1 503 . 1 . 1 67 67 GLN CB C 13 27.567 0.3 . 1 . . . . . 435 GLN CB . 51649 1 504 . 1 . 1 67 67 GLN N N 15 122.187 0.3 . 1 . . . . . 435 GLN N . 51649 1 505 . 1 . 1 68 68 SER H H 1 8.44 0.02 . 1 . . . . . 436 SER H . 51649 1 506 . 1 . 1 68 68 SER C C 13 177.579 0.3 . 1 . . . . . 436 SER C . 51649 1 507 . 1 . 1 68 68 SER CA C 13 61.427 0.3 . 1 . . . . . 436 SER CA . 51649 1 508 . 1 . 1 68 68 SER CB C 13 62.411 0.3 . 1 . . . . . 436 SER CB . 51649 1 509 . 1 . 1 68 68 SER N N 15 113.714 0.3 . 1 . . . . . 436 SER N . 51649 1 510 . 1 . 1 69 69 GLU H H 1 7.632 0.02 . 1 . . . . . 437 GLU H . 51649 1 511 . 1 . 1 69 69 GLU C C 13 180.596 0.3 . 1 . . . . . 437 GLU C . 51649 1 512 . 1 . 1 69 69 GLU CA C 13 59.524 0.3 . 1 . . . . . 437 GLU CA . 51649 1 513 . 1 . 1 69 69 GLU CB C 13 29.93 0.3 . 1 . . . . . 437 GLU CB . 51649 1 514 . 1 . 1 69 69 GLU N N 15 122.731 0.3 . 1 . . . . . 437 GLU N . 51649 1 515 . 1 . 1 70 70 ARG H H 1 8.667 0.02 . 1 . . . . . 438 ARG H . 51649 1 516 . 1 . 1 70 70 ARG C C 13 178.035 0.3 . 1 . . . . . 438 ARG C . 51649 1 517 . 1 . 1 70 70 ARG CA C 13 60.442 0.3 . 1 . . . . . 438 ARG CA . 51649 1 518 . 1 . 1 70 70 ARG CB C 13 30.389 0.3 . 1 . . . . . 438 ARG CB . 51649 1 519 . 1 . 1 70 70 ARG N N 15 122.218 0.3 . 1 . . . . . 438 ARG N . 51649 1 520 . 1 . 1 71 71 GLU H H 1 8.279 0.02 . 1 . . . . . 439 GLU H . 51649 1 521 . 1 . 1 71 71 GLU C C 13 180.001 0.3 . 1 . . . . . 439 GLU C . 51649 1 522 . 1 . 1 71 71 GLU CA C 13 59.589 0.3 . 1 . . . . . 439 GLU CA . 51649 1 523 . 1 . 1 71 71 GLU CB C 13 29.142 0.3 . 1 . . . . . 439 GLU CB . 51649 1 524 . 1 . 1 71 71 GLU N N 15 119.295 0.3 . 1 . . . . . 439 GLU N . 51649 1 525 . 1 . 1 72 72 ARG H H 1 8.044 0.02 . 1 . . . . . 440 ARG H . 51649 1 526 . 1 . 1 72 72 ARG C C 13 179.06 0.3 . 1 . . . . . 440 ARG C . 51649 1 527 . 1 . 1 72 72 ARG CA C 13 59.524 0.3 . 1 . . . . . 440 ARG CA . 51649 1 528 . 1 . 1 72 72 ARG CB C 13 30.323 0.3 . 1 . . . . . 440 ARG CB . 51649 1 529 . 1 . 1 72 72 ARG N N 15 120.956 0.3 . 1 . . . . . 440 ARG N . 51649 1 530 . 1 . 1 73 73 ALA H H 1 7.79 0.02 . 1 . . . . . 441 ALA H . 51649 1 531 . 1 . 1 73 73 ALA HB1 H 1 1.295 0.02 . 1 . . . . . 441 ALA HB . 51649 1 532 . 1 . 1 73 73 ALA HB2 H 1 1.295 0.02 . 1 . . . . . 441 ALA HB . 51649 1 533 . 1 . 1 73 73 ALA HB3 H 1 1.295 0.02 . 1 . . . . . 441 ALA HB . 51649 1 534 . 1 . 1 73 73 ALA C C 13 179.323 0.3 . 1 . . . . . 441 ALA C . 51649 1 535 . 1 . 1 73 73 ALA CA C 13 55.193 0.3 . 1 . . . . . 441 ALA CA . 51649 1 536 . 1 . 1 73 73 ALA CB C 13 19.43 0.3 . 1 . . . . . 441 ALA CB . 51649 1 537 . 1 . 1 73 73 ALA N N 15 124.477 0.3 . 1 . . . . . 441 ALA N . 51649 1 538 . 1 . 1 74 74 LEU H H 1 7.909 0.02 . 1 . . . . . 442 LEU H . 51649 1 539 . 1 . 1 74 74 LEU HD11 H 1 0.813 0.02 . 2 . . . . . 442 LEU HD1 . 51649 1 540 . 1 . 1 74 74 LEU HD12 H 1 0.813 0.02 . 2 . . . . . 442 LEU HD1 . 51649 1 541 . 1 . 1 74 74 LEU HD13 H 1 0.813 0.02 . 2 . . . . . 442 LEU HD1 . 51649 1 542 . 1 . 1 74 74 LEU HD21 H 1 0.902 0.02 . 2 . . . . . 442 LEU HD2 . 51649 1 543 . 1 . 1 74 74 LEU HD22 H 1 0.902 0.02 . 2 . . . . . 442 LEU HD2 . 51649 1 544 . 1 . 1 74 74 LEU HD23 H 1 0.902 0.02 . 2 . . . . . 442 LEU HD2 . 51649 1 545 . 1 . 1 74 74 LEU C C 13 179.101 0.3 . 1 . . . . . 442 LEU C . 51649 1 546 . 1 . 1 74 74 LEU CA C 13 57.621 0.3 . 1 . . . . . 442 LEU CA . 51649 1 547 . 1 . 1 74 74 LEU CB C 13 41.544 0.3 . 1 . . . . . 442 LEU CB . 51649 1 548 . 1 . 1 74 74 LEU CD1 C 13 24.77 0.3 . 1 . . . . . 442 LEU CD1 . 51649 1 549 . 1 . 1 74 74 LEU CD2 C 13 24.819 0.3 . 1 . . . . . 442 LEU CD2 . 51649 1 550 . 1 . 1 74 74 LEU N N 15 117.498 0.3 . 1 . . . . . 442 LEU N . 51649 1 551 . 1 . 1 75 75 ALA H H 1 8.082 0.02 . 1 . . . . . 443 ALA H . 51649 1 552 . 1 . 1 75 75 ALA HB1 H 1 1.464 0.02 . 1 . . . . . 443 ALA HB . 51649 1 553 . 1 . 1 75 75 ALA HB2 H 1 1.464 0.02 . 1 . . . . . 443 ALA HB . 51649 1 554 . 1 . 1 75 75 ALA HB3 H 1 1.464 0.02 . 1 . . . . . 443 ALA HB . 51649 1 555 . 1 . 1 75 75 ALA C C 13 180.873 0.3 . 1 . . . . . 443 ALA C . 51649 1 556 . 1 . 1 75 75 ALA CA C 13 55.127 0.3 . 1 . . . . . 443 ALA CA . 51649 1 557 . 1 . 1 75 75 ALA CB C 13 17.987 0.3 . 1 . . . . . 443 ALA CB . 51649 1 558 . 1 . 1 75 75 ALA N N 15 121.488 0.3 . 1 . . . . . 443 ALA N . 51649 1 559 . 1 . 1 76 76 ALA H H 1 8.014 0.02 . 1 . . . . . 444 ALA H . 51649 1 560 . 1 . 1 76 76 ALA HB1 H 1 1.462 0.02 . 1 . . . . . 444 ALA HB . 51649 1 561 . 1 . 1 76 76 ALA HB2 H 1 1.462 0.02 . 1 . . . . . 444 ALA HB . 51649 1 562 . 1 . 1 76 76 ALA HB3 H 1 1.462 0.02 . 1 . . . . . 444 ALA HB . 51649 1 563 . 1 . 1 76 76 ALA C C 13 179.24 0.3 . 1 . . . . . 444 ALA C . 51649 1 564 . 1 . 1 76 76 ALA CA C 13 54.996 0.3 . 1 . . . . . 444 ALA CA . 51649 1 565 . 1 . 1 76 76 ALA CB C 13 17.901 0.3 . 1 . . . . . 444 ALA CB . 51649 1 566 . 1 . 1 76 76 ALA N N 15 122.949 0.3 . 1 . . . . . 444 ALA N . 51649 1 567 . 1 . 1 77 77 PHE H H 1 8.016 0.02 . 1 . . . . . 445 PHE H . 51649 1 568 . 1 . 1 77 77 PHE C C 13 177.274 0.3 . 1 . . . . . 445 PHE C . 51649 1 569 . 1 . 1 77 77 PHE CA C 13 58.605 0.3 . 1 . . . . . 445 PHE CA . 51649 1 570 . 1 . 1 77 77 PHE CB C 13 40.494 0.3 . 1 . . . . . 445 PHE CB . 51649 1 571 . 1 . 1 77 77 PHE N N 15 121.144 0.3 . 1 . . . . . 445 PHE N . 51649 1 572 . 1 . 1 78 78 ARG H H 1 8.521 0.02 . 1 . . . . . 446 ARG H . 51649 1 573 . 1 . 1 78 78 ARG C C 13 178.478 0.3 . 1 . . . . . 446 ARG C . 51649 1 574 . 1 . 1 78 78 ARG CA C 13 59.261 0.3 . 1 . . . . . 446 ARG CA . 51649 1 575 . 1 . 1 78 78 ARG CB C 13 30.783 0.3 . 1 . . . . . 446 ARG CB . 51649 1 576 . 1 . 1 78 78 ARG N N 15 115.841 0.3 . 1 . . . . . 446 ARG N . 51649 1 577 . 1 . 1 79 79 SER H H 1 7.777 0.02 . 1 . . . . . 447 SER H . 51649 1 578 . 1 . 1 79 79 SER C C 13 175.447 0.3 . 1 . . . . . 447 SER C . 51649 1 579 . 1 . 1 79 79 SER CA C 13 58.944 0.3 . 1 . . . . . 447 SER CA . 51649 1 580 . 1 . 1 79 79 SER CB C 13 64.642 0.3 . 1 . . . . . 447 SER CB . 51649 1 581 . 1 . 1 79 79 SER N N 15 110.992 0.3 . 1 . . . . . 447 SER N . 51649 1 582 . 1 . 1 80 80 GLY H H 1 7.714 0.02 . 1 . . . . . 448 GLY H . 51649 1 583 . 1 . 1 80 80 GLY C C 13 173.703 0.3 . 1 . . . . . 448 GLY C . 51649 1 584 . 1 . 1 80 80 GLY CA C 13 45.416 0.3 . 1 . . . . . 448 GLY CA . 51649 1 585 . 1 . 1 80 80 GLY N N 15 112.254 0.3 . 1 . . . . . 448 GLY N . 51649 1 586 . 1 . 1 81 81 ALA H H 1 8.087 0.02 . 1 . . . . . 449 ALA H . 51649 1 587 . 1 . 1 81 81 ALA HB1 H 1 1.347 0.02 . 1 . . . . . 449 ALA HB . 51649 1 588 . 1 . 1 81 81 ALA HB2 H 1 1.347 0.02 . 1 . . . . . 449 ALA HB . 51649 1 589 . 1 . 1 81 81 ALA HB3 H 1 1.347 0.02 . 1 . . . . . 449 ALA HB . 51649 1 590 . 1 . 1 81 81 ALA C C 13 178.755 0.3 . 1 . . . . . 449 ALA C . 51649 1 591 . 1 . 1 81 81 ALA CA C 13 54.34 0.3 . 1 . . . . . 449 ALA CA . 51649 1 592 . 1 . 1 81 81 ALA CB C 13 18.381 0.3 . 1 . . . . . 449 ALA CB . 51649 1 593 . 1 . 1 81 81 ALA N N 15 124.873 0.3 . 1 . . . . . 449 ALA N . 51649 1 594 . 1 . 1 82 82 ALA H H 1 7.434 0.02 . 1 . . . . . 450 ALA H . 51649 1 595 . 1 . 1 82 82 ALA HB1 H 1 1.127 0.02 . 1 . . . . . 450 ALA HB . 51649 1 596 . 1 . 1 82 82 ALA HB2 H 1 1.127 0.02 . 1 . . . . . 450 ALA HB . 51649 1 597 . 1 . 1 82 82 ALA HB3 H 1 1.127 0.02 . 1 . . . . . 450 ALA HB . 51649 1 598 . 1 . 1 82 82 ALA C C 13 175.848 0.3 . 1 . . . . . 450 ALA C . 51649 1 599 . 1 . 1 82 82 ALA CA C 13 51.19 0.3 . 1 . . . . . 450 ALA CA . 51649 1 600 . 1 . 1 82 82 ALA CB C 13 20.48 0.3 . 1 . . . . . 450 ALA CB . 51649 1 601 . 1 . 1 82 82 ALA N N 15 120.558 0.3 . 1 . . . . . 450 ALA N . 51649 1 602 . 1 . 1 83 83 THR H H 1 8.006 0.02 . 1 . . . . . 451 THR H . 51649 1 603 . 1 . 1 83 83 THR HG21 H 1 1.119 0.02 . 1 . . . . . 451 THR HG2 . 51649 1 604 . 1 . 1 83 83 THR HG22 H 1 1.119 0.02 . 1 . . . . . 451 THR HG2 . 51649 1 605 . 1 . 1 83 83 THR HG23 H 1 1.119 0.02 . 1 . . . . . 451 THR HG2 . 51649 1 606 . 1 . 1 83 83 THR C C 13 173.855 0.3 . 1 . . . . . 451 THR C . 51649 1 607 . 1 . 1 83 83 THR CA C 13 61.558 0.3 . 1 . . . . . 451 THR CA . 51649 1 608 . 1 . 1 83 83 THR CB C 13 69.104 0.3 . 1 . . . . . 451 THR CB . 51649 1 609 . 1 . 1 83 83 THR CG2 C 13 22.607 0.3 . 1 . . . . . 451 THR CG2 . 51649 1 610 . 1 . 1 83 83 THR N N 15 108.666 0.3 . 1 . . . . . 451 THR N . 51649 1 611 . 1 . 1 84 84 LEU H H 1 7.698 0.02 . 1 . . . . . 452 LEU H . 51649 1 612 . 1 . 1 84 84 LEU HD11 H 1 0.697 0.02 . 2 . . . . . 452 LEU HD1 . 51649 1 613 . 1 . 1 84 84 LEU HD12 H 1 0.697 0.02 . 2 . . . . . 452 LEU HD1 . 51649 1 614 . 1 . 1 84 84 LEU HD13 H 1 0.697 0.02 . 2 . . . . . 452 LEU HD1 . 51649 1 615 . 1 . 1 84 84 LEU HD21 H 1 0.705 0.02 . 2 . . . . . 452 LEU HD2 . 51649 1 616 . 1 . 1 84 84 LEU HD22 H 1 0.705 0.02 . 2 . . . . . 452 LEU HD2 . 51649 1 617 . 1 . 1 84 84 LEU HD23 H 1 0.705 0.02 . 2 . . . . . 452 LEU HD2 . 51649 1 618 . 1 . 1 84 84 LEU C C 13 174.035 0.3 . 1 . . . . . 452 LEU C . 51649 1 619 . 1 . 1 84 84 LEU CA C 13 54.012 0.3 . 1 . . . . . 452 LEU CA . 51649 1 620 . 1 . 1 84 84 LEU CB C 13 45.153 0.3 . 1 . . . . . 452 LEU CB . 51649 1 621 . 1 . 1 84 84 LEU CD1 C 13 26.795 0.3 . 1 . . . . . 452 LEU CD1 . 51649 1 622 . 1 . 1 84 84 LEU CD2 C 13 28.292 0.3 . 1 . . . . . 452 LEU CD2 . 51649 1 623 . 1 . 1 84 84 LEU N N 15 122.673 0.3 . 1 . . . . . 452 LEU N . 51649 1 624 . 1 . 1 85 85 LEU H H 1 8.041 0.02 . 1 . . . . . 453 LEU H . 51649 1 625 . 1 . 1 85 85 LEU HD11 H 1 0.294 0.02 . 2 . . . . . 453 LEU HD1 . 51649 1 626 . 1 . 1 85 85 LEU HD12 H 1 0.294 0.02 . 2 . . . . . 453 LEU HD1 . 51649 1 627 . 1 . 1 85 85 LEU HD13 H 1 0.294 0.02 . 2 . . . . . 453 LEU HD1 . 51649 1 628 . 1 . 1 85 85 LEU HD21 H 1 0.1 0.02 . 2 . . . . . 453 LEU HD2 . 51649 1 629 . 1 . 1 85 85 LEU HD22 H 1 0.1 0.02 . 2 . . . . . 453 LEU HD2 . 51649 1 630 . 1 . 1 85 85 LEU HD23 H 1 0.1 0.02 . 2 . . . . . 453 LEU HD2 . 51649 1 631 . 1 . 1 85 85 LEU C C 13 173.468 0.3 . 1 . . . . . 453 LEU C . 51649 1 632 . 1 . 1 85 85 LEU CA C 13 52.437 0.3 . 1 . . . . . 453 LEU CA . 51649 1 633 . 1 . 1 85 85 LEU CB C 13 42.594 0.3 . 1 . . . . . 453 LEU CB . 51649 1 634 . 1 . 1 85 85 LEU CD1 C 13 23.88 0.3 . 1 . . . . . 453 LEU CD1 . 51649 1 635 . 1 . 1 85 85 LEU CD2 C 13 25.897 0.3 . 1 . . . . . 453 LEU CD2 . 51649 1 636 . 1 . 1 85 85 LEU N N 15 125.108 0.3 . 1 . . . . . 453 LEU N . 51649 1 637 . 1 . 1 86 86 VAL H H 1 8.696 0.02 . 1 . . . . . 454 VAL H . 51649 1 638 . 1 . 1 86 86 VAL HG11 H 1 0.523 0.02 . 2 . . . . . 454 VAL HG1 . 51649 1 639 . 1 . 1 86 86 VAL HG12 H 1 0.523 0.02 . 2 . . . . . 454 VAL HG1 . 51649 1 640 . 1 . 1 86 86 VAL HG13 H 1 0.523 0.02 . 2 . . . . . 454 VAL HG1 . 51649 1 641 . 1 . 1 86 86 VAL HG21 H 1 0.673 0.02 . 2 . . . . . 454 VAL HG2 . 51649 1 642 . 1 . 1 86 86 VAL HG22 H 1 0.673 0.02 . 2 . . . . . 454 VAL HG2 . 51649 1 643 . 1 . 1 86 86 VAL HG23 H 1 0.673 0.02 . 2 . . . . . 454 VAL HG2 . 51649 1 644 . 1 . 1 86 86 VAL C C 13 174.201 0.3 . 1 . . . . . 454 VAL C . 51649 1 645 . 1 . 1 86 86 VAL CA C 13 60.705 0.3 . 1 . . . . . 454 VAL CA . 51649 1 646 . 1 . 1 86 86 VAL CB C 13 31.439 0.3 . 1 . . . . . 454 VAL CB . 51649 1 647 . 1 . 1 86 86 VAL CG1 C 13 21.223 0.3 . 1 . . . . . 454 VAL CG1 . 51649 1 648 . 1 . 1 86 86 VAL CG2 C 13 22.957 0.3 . 1 . . . . . 454 VAL CG2 . 51649 1 649 . 1 . 1 86 86 VAL N N 15 128.825 0.3 . 1 . . . . . 454 VAL N . 51649 1 650 . 1 . 1 87 87 ALA H H 1 8.936 0.02 . 1 . . . . . 455 ALA H . 51649 1 651 . 1 . 1 87 87 ALA HB1 H 1 0.845 0.02 . 1 . . . . . 455 ALA HB . 51649 1 652 . 1 . 1 87 87 ALA HB2 H 1 0.845 0.02 . 1 . . . . . 455 ALA HB . 51649 1 653 . 1 . 1 87 87 ALA HB3 H 1 0.845 0.02 . 1 . . . . . 455 ALA HB . 51649 1 654 . 1 . 1 87 87 ALA C C 13 177.565 0.3 . 1 . . . . . 455 ALA C . 51649 1 655 . 1 . 1 87 87 ALA CA C 13 49.747 0.3 . 1 . . . . . 455 ALA CA . 51649 1 656 . 1 . 1 87 87 ALA CB C 13 22.777 0.3 . 1 . . . . . 455 ALA CB . 51649 1 657 . 1 . 1 87 87 ALA N N 15 128.218 0.3 . 1 . . . . . 455 ALA N . 51649 1 658 . 1 . 1 88 88 THR H H 1 6.9 0.02 . 1 . . . . . 456 THR H . 51649 1 659 . 1 . 1 88 88 THR HG21 H 1 0.989 0.02 . 1 . . . . . 456 THR HG2 . 51649 1 660 . 1 . 1 88 88 THR HG22 H 1 0.989 0.02 . 1 . . . . . 456 THR HG2 . 51649 1 661 . 1 . 1 88 88 THR HG23 H 1 0.989 0.02 . 1 . . . . . 456 THR HG2 . 51649 1 662 . 1 . 1 88 88 THR C C 13 176.167 0.3 . 1 . . . . . 456 THR C . 51649 1 663 . 1 . 1 88 88 THR CA C 13 59.196 0.3 . 1 . . . . . 456 THR CA . 51649 1 664 . 1 . 1 88 88 THR CB C 13 69.957 0.3 . 1 . . . . . 456 THR CB . 51649 1 665 . 1 . 1 88 88 THR CG2 C 13 22.665 0.3 . 1 . . . . . 456 THR CG2 . 51649 1 666 . 1 . 1 88 88 THR N N 15 107.072 0.3 . 1 . . . . . 456 THR N . 51649 1 667 . 1 . 1 89 89 ALA H H 1 8.962 0.02 . 1 . . . . . 457 ALA H . 51649 1 668 . 1 . 1 89 89 ALA HB1 H 1 1.335 0.02 . 1 . . . . . 457 ALA HB . 51649 1 669 . 1 . 1 89 89 ALA HB2 H 1 1.335 0.02 . 1 . . . . . 457 ALA HB . 51649 1 670 . 1 . 1 89 89 ALA HB3 H 1 1.335 0.02 . 1 . . . . . 457 ALA HB . 51649 1 671 . 1 . 1 89 89 ALA C C 13 178.423 0.3 . 1 . . . . . 457 ALA C . 51649 1 672 . 1 . 1 89 89 ALA CA C 13 56.308 0.3 . 1 . . . . . 457 ALA CA . 51649 1 673 . 1 . 1 89 89 ALA CB C 13 18.577 0.3 . 1 . . . . . 457 ALA CB . 51649 1 674 . 1 . 1 89 89 ALA N N 15 125.968 0.3 . 1 . . . . . 457 ALA N . 51649 1 675 . 1 . 1 90 90 VAL H H 1 8.058 0.02 . 1 . . . . . 458 VAL H . 51649 1 676 . 1 . 1 90 90 VAL HG11 H 1 0.933 0.02 . 2 . . . . . 458 VAL HG1 . 51649 1 677 . 1 . 1 90 90 VAL HG12 H 1 0.933 0.02 . 2 . . . . . 458 VAL HG1 . 51649 1 678 . 1 . 1 90 90 VAL HG13 H 1 0.933 0.02 . 2 . . . . . 458 VAL HG1 . 51649 1 679 . 1 . 1 90 90 VAL HG21 H 1 1.003 0.02 . 2 . . . . . 458 VAL HG2 . 51649 1 680 . 1 . 1 90 90 VAL HG22 H 1 1.003 0.02 . 2 . . . . . 458 VAL HG2 . 51649 1 681 . 1 . 1 90 90 VAL HG23 H 1 1.003 0.02 . 2 . . . . . 458 VAL HG2 . 51649 1 682 . 1 . 1 90 90 VAL C C 13 177.496 0.3 . 1 . . . . . 458 VAL C . 51649 1 683 . 1 . 1 90 90 VAL CA C 13 65.233 0.3 . 1 . . . . . 458 VAL CA . 51649 1 684 . 1 . 1 90 90 VAL CB C 13 31.57 0.3 . 1 . . . . . 458 VAL CB . 51649 1 685 . 1 . 1 90 90 VAL CG1 C 13 20.997 0.3 . 1 . . . . . 458 VAL CG1 . 51649 1 686 . 1 . 1 90 90 VAL CG2 C 13 21.887 0.3 . 1 . . . . . 458 VAL CG2 . 51649 1 687 . 1 . 1 90 90 VAL N N 15 115.47 0.3 . 1 . . . . . 458 VAL N . 51649 1 688 . 1 . 1 91 91 ALA H H 1 7.154 0.02 . 1 . . . . . 459 ALA H . 51649 1 689 . 1 . 1 91 91 ALA HB1 H 1 1.221 0.02 . 1 . . . . . 459 ALA HB . 51649 1 690 . 1 . 1 91 91 ALA HB2 H 1 1.221 0.02 . 1 . . . . . 459 ALA HB . 51649 1 691 . 1 . 1 91 91 ALA HB3 H 1 1.221 0.02 . 1 . . . . . 459 ALA HB . 51649 1 692 . 1 . 1 91 91 ALA C C 13 178.368 0.3 . 1 . . . . . 459 ALA C . 51649 1 693 . 1 . 1 91 91 ALA CA C 13 53.487 0.3 . 1 . . . . . 459 ALA CA . 51649 1 694 . 1 . 1 91 91 ALA CB C 13 19.299 0.3 . 1 . . . . . 459 ALA CB . 51649 1 695 . 1 . 1 91 91 ALA N N 15 121.953 0.3 . 1 . . . . . 459 ALA N . 51649 1 696 . 1 . 1 92 92 ALA H H 1 7.527 0.02 . 1 . . . . . 460 ALA H . 51649 1 697 . 1 . 1 92 92 ALA HB1 H 1 1.361 0.02 . 1 . . . . . 460 ALA HB . 51649 1 698 . 1 . 1 92 92 ALA HB2 H 1 1.361 0.02 . 1 . . . . . 460 ALA HB . 51649 1 699 . 1 . 1 92 92 ALA HB3 H 1 1.361 0.02 . 1 . . . . . 460 ALA HB . 51649 1 700 . 1 . 1 92 92 ALA C C 13 178.049 0.3 . 1 . . . . . 460 ALA C . 51649 1 701 . 1 . 1 92 92 ALA CA C 13 52.93 0.3 . 1 . . . . . 460 ALA CA . 51649 1 702 . 1 . 1 92 92 ALA CB C 13 19.256 0.3 . 1 . . . . . 460 ALA CB . 51649 1 703 . 1 . 1 92 92 ALA N N 15 117.022 0.3 . 1 . . . . . 460 ALA N . 51649 1 704 . 1 . 1 93 93 ARG H H 1 7.26 0.02 . 1 . . . . . 461 ARG H . 51649 1 705 . 1 . 1 93 93 ARG C C 13 177.163 0.3 . 1 . . . . . 461 ARG C . 51649 1 706 . 1 . 1 93 93 ARG CA C 13 58.736 0.3 . 1 . . . . . 461 ARG CA . 51649 1 707 . 1 . 1 93 93 ARG CB C 13 29.864 0.3 . 1 . . . . . 461 ARG CB . 51649 1 708 . 1 . 1 93 93 ARG N N 15 119.327 0.3 . 1 . . . . . 461 ARG N . 51649 1 709 . 1 . 1 94 94 GLY H H 1 8.572 0.02 . 1 . . . . . 462 GLY H . 51649 1 710 . 1 . 1 94 94 GLY C C 13 177.184 0.3 . 1 . . . . . 462 GLY C . 51649 1 711 . 1 . 1 94 94 GLY CA C 13 45.088 0.3 . 1 . . . . . 462 GLY CA . 51649 1 712 . 1 . 1 94 94 GLY N N 15 110.269 0.3 . 1 . . . . . 462 GLY N . 51649 1 713 . 1 . 1 95 95 LEU H H 1 7.308 0.02 . 1 . . . . . 463 LEU H . 51649 1 714 . 1 . 1 95 95 LEU HD11 H 1 0.749 0.02 . 2 . . . . . 463 LEU HD1 . 51649 1 715 . 1 . 1 95 95 LEU HD12 H 1 0.749 0.02 . 2 . . . . . 463 LEU HD1 . 51649 1 716 . 1 . 1 95 95 LEU HD13 H 1 0.749 0.02 . 2 . . . . . 463 LEU HD1 . 51649 1 717 . 1 . 1 95 95 LEU HD21 H 1 0.791 0.02 . 2 . . . . . 463 LEU HD2 . 51649 1 718 . 1 . 1 95 95 LEU HD22 H 1 0.791 0.02 . 2 . . . . . 463 LEU HD2 . 51649 1 719 . 1 . 1 95 95 LEU HD23 H 1 0.791 0.02 . 2 . . . . . 463 LEU HD2 . 51649 1 720 . 1 . 1 95 95 LEU C C 13 176.679 0.3 . 1 . . . . . 463 LEU C . 51649 1 721 . 1 . 1 95 95 LEU CA C 13 54.143 0.3 . 1 . . . . . 463 LEU CA . 51649 1 722 . 1 . 1 95 95 LEU CB C 13 43.316 0.3 . 1 . . . . . 463 LEU CB . 51649 1 723 . 1 . 1 95 95 LEU CD1 C 13 23.019 0.3 . 1 . . . . . 463 LEU CD1 . 51649 1 724 . 1 . 1 95 95 LEU CD2 C 13 26.516 0.3 . 1 . . . . . 463 LEU CD2 . 51649 1 725 . 1 . 1 95 95 LEU N N 15 119.759 0.3 . 1 . . . . . 463 LEU N . 51649 1 726 . 1 . 1 96 96 ASP H H 1 8.556 0.02 . 1 . . . . . 464 ASP H . 51649 1 727 . 1 . 1 96 96 ASP C C 13 174.81 0.3 . 1 . . . . . 464 ASP C . 51649 1 728 . 1 . 1 96 96 ASP CA C 13 53.224 0.3 . 1 . . . . . 464 ASP CA . 51649 1 729 . 1 . 1 96 96 ASP CB C 13 39.838 0.3 . 1 . . . . . 464 ASP CB . 51649 1 730 . 1 . 1 96 96 ASP N N 15 124.431 0.3 . 1 . . . . . 464 ASP N . 51649 1 731 . 1 . 1 97 97 ILE H H 1 7.509 0.02 . 1 . . . . . 465 ILE H . 51649 1 732 . 1 . 1 97 97 ILE HD11 H 1 0.708 0.02 . 1 . . . . . 465 ILE HD1 . 51649 1 733 . 1 . 1 97 97 ILE HD12 H 1 0.708 0.02 . 1 . . . . . 465 ILE HD1 . 51649 1 734 . 1 . 1 97 97 ILE HD13 H 1 0.708 0.02 . 1 . . . . . 465 ILE HD1 . 51649 1 735 . 1 . 1 97 97 ILE C C 13 173.952 0.3 . 1 . . . . . 465 ILE C . 51649 1 736 . 1 . 1 97 97 ILE CA C 13 58.277 0.3 . 1 . . . . . 465 ILE CA . 51649 1 737 . 1 . 1 97 97 ILE CB C 13 39.838 0.3 . 1 . . . . . 465 ILE CB . 51649 1 738 . 1 . 1 97 97 ILE CD1 C 13 13.12 0.3 . 1 . . . . . 465 ILE CD1 . 51649 1 739 . 1 . 1 97 97 ILE N N 15 124.315 0.3 . 1 . . . . . 465 ILE N . 51649 1 740 . 1 . 1 99 99 ASN H H 1 8.257 0.02 . 1 . . . . . 467 ASN H . 51649 1 741 . 1 . 1 99 99 ASN C C 13 175.04 0.3 . 1 . . . . . 467 ASN C . 51649 1 742 . 1 . 1 99 99 ASN CA C 13 55.39 0.3 . 1 . . . . . 467 ASN CA . 51649 1 743 . 1 . 1 99 99 ASN CB C 13 39.116 0.3 . 1 . . . . . 467 ASN CB . 51649 1 744 . 1 . 1 99 99 ASN N N 15 115.929 0.3 . 1 . . . . . 467 ASN N . 51649 1 745 . 1 . 1 100 100 VAL H H 1 7.618 0.02 . 1 . . . . . 468 VAL H . 51649 1 746 . 1 . 1 100 100 VAL HG11 H 1 0.743 0.02 . 2 . . . . . 468 VAL HG1 . 51649 1 747 . 1 . 1 100 100 VAL HG12 H 1 0.743 0.02 . 2 . . . . . 468 VAL HG1 . 51649 1 748 . 1 . 1 100 100 VAL HG13 H 1 0.743 0.02 . 2 . . . . . 468 VAL HG1 . 51649 1 749 . 1 . 1 100 100 VAL HG21 H 1 1.003 0.02 . 2 . . . . . 468 VAL HG2 . 51649 1 750 . 1 . 1 100 100 VAL HG22 H 1 1.003 0.02 . 2 . . . . . 468 VAL HG2 . 51649 1 751 . 1 . 1 100 100 VAL HG23 H 1 1.003 0.02 . 2 . . . . . 468 VAL HG2 . 51649 1 752 . 1 . 1 100 100 VAL C C 13 176.416 0.3 . 1 . . . . . 468 VAL C . 51649 1 753 . 1 . 1 100 100 VAL CA C 13 59.983 0.3 . 1 . . . . . 468 VAL CA . 51649 1 754 . 1 . 1 100 100 VAL CB C 13 32.554 0.3 . 1 . . . . . 468 VAL CB . 51649 1 755 . 1 . 1 100 100 VAL CG1 C 13 20.322 0.3 . 1 . . . . . 468 VAL CG1 . 51649 1 756 . 1 . 1 100 100 VAL CG2 C 13 22.813 0.3 . 1 . . . . . 468 VAL CG2 . 51649 1 757 . 1 . 1 100 100 VAL N N 15 117.635 0.3 . 1 . . . . . 468 VAL N . 51649 1 758 . 1 . 1 101 101 THR H H 1 8.803 0.02 . 1 . . . . . 469 THR H . 51649 1 759 . 1 . 1 101 101 THR HG21 H 1 1.227 0.02 . 1 . . . . . 469 THR HG2 . 51649 1 760 . 1 . 1 101 101 THR HG22 H 1 1.227 0.02 . 1 . . . . . 469 THR HG2 . 51649 1 761 . 1 . 1 101 101 THR HG23 H 1 1.227 0.02 . 1 . . . . . 469 THR HG2 . 51649 1 762 . 1 . 1 101 101 THR C C 13 174.353 0.3 . 1 . . . . . 469 THR C . 51649 1 763 . 1 . 1 101 101 THR CA C 13 64.183 0.3 . 1 . . . . . 469 THR CA . 51649 1 764 . 1 . 1 101 101 THR CB C 13 69.564 0.3 . 1 . . . . . 469 THR CB . 51649 1 765 . 1 . 1 101 101 THR CG2 C 13 22.649 0.3 . 1 . . . . . 469 THR CG2 . 51649 1 766 . 1 . 1 101 101 THR N N 15 119.335 0.3 . 1 . . . . . 469 THR N . 51649 1 767 . 1 . 1 102 102 HIS H H 1 7.33 0.02 . 1 . . . . . 470 HIS H . 51649 1 768 . 1 . 1 102 102 HIS C C 13 174.118 0.3 . 1 . . . . . 470 HIS C . 51649 1 769 . 1 . 1 102 102 HIS CA C 13 52.831 0.3 . 1 . . . . . 470 HIS CA . 51649 1 770 . 1 . 1 102 102 HIS CB C 13 32.948 0.3 . 1 . . . . . 470 HIS CB . 51649 1 771 . 1 . 1 102 102 HIS N N 15 122.101 0.3 . 1 . . . . . 470 HIS N . 51649 1 772 . 1 . 1 103 103 VAL H H 1 9.074 0.02 . 1 . . . . . 471 VAL H . 51649 1 773 . 1 . 1 103 103 VAL HG11 H 1 0.877 0.02 . 2 . . . . . 471 VAL HG1 . 51649 1 774 . 1 . 1 103 103 VAL HG12 H 1 0.877 0.02 . 2 . . . . . 471 VAL HG1 . 51649 1 775 . 1 . 1 103 103 VAL HG13 H 1 0.877 0.02 . 2 . . . . . 471 VAL HG1 . 51649 1 776 . 1 . 1 103 103 VAL HG21 H 1 0.981 0.02 . 2 . . . . . 471 VAL HG2 . 51649 1 777 . 1 . 1 103 103 VAL HG22 H 1 0.981 0.02 . 2 . . . . . 471 VAL HG2 . 51649 1 778 . 1 . 1 103 103 VAL HG23 H 1 0.981 0.02 . 2 . . . . . 471 VAL HG2 . 51649 1 779 . 1 . 1 103 103 VAL C C 13 173.744 0.3 . 1 . . . . . 471 VAL C . 51649 1 780 . 1 . 1 103 103 VAL CA C 13 61.033 0.3 . 1 . . . . . 471 VAL CA . 51649 1 781 . 1 . 1 103 103 VAL CB C 13 34.326 0.3 . 1 . . . . . 471 VAL CB . 51649 1 782 . 1 . 1 103 103 VAL CG1 C 13 20.978 0.3 . 1 . . . . . 471 VAL CG1 . 51649 1 783 . 1 . 1 103 103 VAL CG2 C 13 23.133 0.3 . 1 . . . . . 471 VAL CG2 . 51649 1 784 . 1 . 1 103 103 VAL N N 15 127.267 0.3 . 1 . . . . . 471 VAL N . 51649 1 785 . 1 . 1 104 104 ILE H H 1 9.417 0.02 . 1 . . . . . 472 ILE H . 51649 1 786 . 1 . 1 104 104 ILE HG21 H 1 0.099 0.02 . 1 . . . . . 472 ILE HG2 . 51649 1 787 . 1 . 1 104 104 ILE HG22 H 1 0.099 0.02 . 1 . . . . . 472 ILE HG2 . 51649 1 788 . 1 . 1 104 104 ILE HG23 H 1 0.099 0.02 . 1 . . . . . 472 ILE HG2 . 51649 1 789 . 1 . 1 104 104 ILE HD11 H 1 0.173 0.02 . 1 . . . . . 472 ILE HD1 . 51649 1 790 . 1 . 1 104 104 ILE HD12 H 1 0.173 0.02 . 1 . . . . . 472 ILE HD1 . 51649 1 791 . 1 . 1 104 104 ILE HD13 H 1 0.173 0.02 . 1 . . . . . 472 ILE HD1 . 51649 1 792 . 1 . 1 104 104 ILE C C 13 176.236 0.3 . 1 . . . . . 472 ILE C . 51649 1 793 . 1 . 1 104 104 ILE CA C 13 58.802 0.3 . 1 . . . . . 472 ILE CA . 51649 1 794 . 1 . 1 104 104 ILE CB C 13 39.707 0.3 . 1 . . . . . 472 ILE CB . 51649 1 795 . 1 . 1 104 104 ILE CG2 C 13 14.785 0.3 . 1 . . . . . 472 ILE CG2 . 51649 1 796 . 1 . 1 104 104 ILE CD1 C 13 14.838 0.3 . 1 . . . . . 472 ILE CD1 . 51649 1 797 . 1 . 1 104 104 ILE N N 15 128.795 0.3 . 1 . . . . . 472 ILE N . 51649 1 798 . 1 . 1 105 105 ASN H H 1 8.951 0.02 . 1 . . . . . 473 ASN H . 51649 1 799 . 1 . 1 105 105 ASN C C 13 172.305 0.3 . 1 . . . . . 473 ASN C . 51649 1 800 . 1 . 1 105 105 ASN CA C 13 53.356 0.3 . 1 . . . . . 473 ASN CA . 51649 1 801 . 1 . 1 105 105 ASN CB C 13 39.394 0.3 . 1 . . . . . 473 ASN CB . 51649 1 802 . 1 . 1 105 105 ASN N N 15 128.482 0.3 . 1 . . . . . 473 ASN N . 51649 1 803 . 1 . 1 106 106 TYR H H 1 7.882 0.02 . 1 . . . . . 474 TYR H . 51649 1 804 . 1 . 1 106 106 TYR C C 13 174.464 0.3 . 1 . . . . . 474 TYR C . 51649 1 805 . 1 . 1 106 106 TYR CA C 13 60.377 0.3 . 1 . . . . . 474 TYR CA . 51649 1 806 . 1 . 1 106 106 TYR CB C 13 39.379 0.3 . 1 . . . . . 474 TYR CB . 51649 1 807 . 1 . 1 106 106 TYR N N 15 128.56 0.3 . 1 . . . . . 474 TYR N . 51649 1 808 . 1 . 1 108 108 LEU H H 1 7.177 0.02 . 1 . . . . . 476 LEU H . 51649 1 809 . 1 . 1 108 108 LEU C C 13 176.028 0.3 . 1 . . . . . 476 LEU C . 51649 1 810 . 1 . 1 108 108 LEU CA C 13 52.765 0.3 . 1 . . . . . 476 LEU CA . 51649 1 811 . 1 . 1 108 108 LEU CB C 13 45.022 0.3 . 1 . . . . . 476 LEU CB . 51649 1 812 . 1 . 1 108 108 LEU N N 15 111.813 0.3 . 1 . . . . . 476 LEU N . 51649 1 813 . 1 . 1 110 110 SER H H 1 8.4 0.02 . 1 . . . . . 478 SER H . 51649 1 814 . 1 . 1 110 110 SER C C 13 172.979 0.3 . 1 . . . . . 478 SER C . 51649 1 815 . 1 . 1 110 110 SER CA C 13 59.458 0.3 . 1 . . . . . 478 SER CA . 51649 1 816 . 1 . 1 110 110 SER CB C 13 63.789 0.3 . 1 . . . . . 478 SER CB . 51649 1 817 . 1 . 1 110 110 SER N N 15 112.254 0.3 . 1 . . . . . 478 SER N . 51649 1 818 . 1 . 1 111 111 ASP H H 1 7.246 0.02 . 1 . . . . . 479 ASP H . 51649 1 819 . 1 . 1 111 111 ASP C C 13 176.803 0.3 . 1 . . . . . 479 ASP C . 51649 1 820 . 1 . 1 111 111 ASP CA C 13 52.634 0.3 . 1 . . . . . 479 ASP CA . 51649 1 821 . 1 . 1 111 111 ASP CB C 13 44.038 0.3 . 1 . . . . . 479 ASP CB . 51649 1 822 . 1 . 1 111 111 ASP N N 15 119.025 0.3 . 1 . . . . . 479 ASP N . 51649 1 823 . 1 . 1 112 112 VAL H H 1 8.94 0.02 . 1 . . . . . 480 VAL H . 51649 1 824 . 1 . 1 112 112 VAL HG11 H 1 0.929 0.02 . 2 . . . . . 480 VAL HG1 . 51649 1 825 . 1 . 1 112 112 VAL HG12 H 1 0.929 0.02 . 2 . . . . . 480 VAL HG1 . 51649 1 826 . 1 . 1 112 112 VAL HG13 H 1 0.929 0.02 . 2 . . . . . 480 VAL HG1 . 51649 1 827 . 1 . 1 112 112 VAL HG21 H 1 0.953 0.02 . 2 . . . . . 480 VAL HG2 . 51649 1 828 . 1 . 1 112 112 VAL HG22 H 1 0.953 0.02 . 2 . . . . . 480 VAL HG2 . 51649 1 829 . 1 . 1 112 112 VAL HG23 H 1 0.953 0.02 . 2 . . . . . 480 VAL HG2 . 51649 1 830 . 1 . 1 112 112 VAL C C 13 176.402 0.3 . 1 . . . . . 480 VAL C . 51649 1 831 . 1 . 1 112 112 VAL CA C 13 65.101 0.3 . 1 . . . . . 480 VAL CA . 51649 1 832 . 1 . 1 112 112 VAL CB C 13 32.029 0.3 . 1 . . . . . 480 VAL CB . 51649 1 833 . 1 . 1 112 112 VAL CG1 C 13 20.8 0.3 . 1 . . . . . 480 VAL CG1 . 51649 1 834 . 1 . 1 112 112 VAL CG2 C 13 22.246 0.3 . 1 . . . . . 480 VAL CG2 . 51649 1 835 . 1 . 1 112 112 VAL N N 15 124.61 0.3 . 1 . . . . . 480 VAL N . 51649 1 836 . 1 . 1 113 113 ASP H H 1 8.527 0.02 . 1 . . . . . 481 ASP H . 51649 1 837 . 1 . 1 113 113 ASP C C 13 179.143 0.3 . 1 . . . . . 481 ASP C . 51649 1 838 . 1 . 1 113 113 ASP CA C 13 57.818 0.3 . 1 . . . . . 481 ASP CA . 51649 1 839 . 1 . 1 113 113 ASP CB C 13 39.969 0.3 . 1 . . . . . 481 ASP CB . 51649 1 840 . 1 . 1 113 113 ASP N N 15 123.481 0.3 . 1 . . . . . 481 ASP N . 51649 1 841 . 1 . 1 114 114 ASP H H 1 7.529 0.02 . 1 . . . . . 482 ASP H . 51649 1 842 . 1 . 1 114 114 ASP C C 13 177.897 0.3 . 1 . . . . . 482 ASP C . 51649 1 843 . 1 . 1 114 114 ASP CA C 13 56.833 0.3 . 1 . . . . . 482 ASP CA . 51649 1 844 . 1 . 1 114 114 ASP CB C 13 41.347 0.3 . 1 . . . . . 482 ASP CB . 51649 1 845 . 1 . 1 114 114 ASP N N 15 119.495 0.3 . 1 . . . . . 482 ASP N . 51649 1 846 . 1 . 1 115 115 TYR H H 1 7.008 0.02 . 1 . . . . . 483 TYR H . 51649 1 847 . 1 . 1 115 115 TYR C C 13 175.433 0.3 . 1 . . . . . 483 TYR C . 51649 1 848 . 1 . 1 115 115 TYR CA C 13 63.067 0.3 . 1 . . . . . 483 TYR CA . 51649 1 849 . 1 . 1 115 115 TYR CB C 13 37.935 0.3 . 1 . . . . . 483 TYR CB . 51649 1 850 . 1 . 1 115 115 TYR N N 15 119.495 0.3 . 1 . . . . . 483 TYR N . 51649 1 851 . 1 . 1 116 116 VAL H H 1 8.019 0.02 . 1 . . . . . 484 VAL H . 51649 1 852 . 1 . 1 116 116 VAL HG11 H 1 0.798 0.02 . 2 . . . . . 484 VAL HG1 . 51649 1 853 . 1 . 1 116 116 VAL HG12 H 1 0.798 0.02 . 2 . . . . . 484 VAL HG1 . 51649 1 854 . 1 . 1 116 116 VAL HG13 H 1 0.798 0.02 . 2 . . . . . 484 VAL HG1 . 51649 1 855 . 1 . 1 116 116 VAL HG21 H 1 1.095 0.02 . 2 . . . . . 484 VAL HG2 . 51649 1 856 . 1 . 1 116 116 VAL HG22 H 1 1.095 0.02 . 2 . . . . . 484 VAL HG2 . 51649 1 857 . 1 . 1 116 116 VAL HG23 H 1 1.095 0.02 . 2 . . . . . 484 VAL HG2 . 51649 1 858 . 1 . 1 116 116 VAL C C 13 178.271 0.3 . 1 . . . . . 484 VAL C . 51649 1 859 . 1 . 1 116 116 VAL CA C 13 66.676 0.3 . 1 . . . . . 484 VAL CA . 51649 1 860 . 1 . 1 116 116 VAL CB C 13 31.701 0.3 . 1 . . . . . 484 VAL CB . 51649 1 861 . 1 . 1 116 116 VAL CG1 C 13 21.391 0.3 . 1 . . . . . 484 VAL CG1 . 51649 1 862 . 1 . 1 116 116 VAL CG2 C 13 23.539 0.3 . 1 . . . . . 484 VAL CG2 . 51649 1 863 . 1 . 1 116 116 VAL N N 15 118.631 0.3 . 1 . . . . . 484 VAL N . 51649 1 864 . 1 . 1 117 117 HIS H H 1 7.542 0.02 . 1 . . . . . 485 HIS H . 51649 1 865 . 1 . 1 117 117 HIS C C 13 178.575 0.3 . 1 . . . . . 485 HIS C . 51649 1 866 . 1 . 1 117 117 HIS CA C 13 60.114 0.3 . 1 . . . . . 485 HIS CA . 51649 1 867 . 1 . 1 117 117 HIS CB C 13 30.389 0.3 . 1 . . . . . 485 HIS CB . 51649 1 868 . 1 . 1 117 117 HIS N N 15 120.225 0.3 . 1 . . . . . 485 HIS N . 51649 1 869 . 1 . 1 118 118 ARG H H 1 7.898 0.02 . 1 . . . . . 486 ARG H . 51649 1 870 . 1 . 1 118 118 ARG C C 13 178.613 0.3 . 1 . . . . . 486 ARG C . 51649 1 871 . 1 . 1 118 118 ARG CA C 13 59.629 0.3 . 1 . . . . . 486 ARG CA . 51649 1 872 . 1 . 1 118 118 ARG CB C 13 31.373 0.3 . 1 . . . . . 486 ARG CB . 51649 1 873 . 1 . 1 118 118 ARG N N 15 118.963 0.3 . 1 . . . . . 486 ARG N . 51649 1 874 . 1 . 1 119 119 ILE H H 1 7.727 0.02 . 1 . . . . . 487 ILE H . 51649 1 875 . 1 . 1 119 119 ILE HG21 H 1 0.183 0.02 . 1 . . . . . 487 ILE HG2 . 51649 1 876 . 1 . 1 119 119 ILE HG22 H 1 0.183 0.02 . 1 . . . . . 487 ILE HG2 . 51649 1 877 . 1 . 1 119 119 ILE HG23 H 1 0.183 0.02 . 1 . . . . . 487 ILE HG2 . 51649 1 878 . 1 . 1 119 119 ILE HD11 H 1 0.389 0.02 . 1 . . . . . 487 ILE HD1 . 51649 1 879 . 1 . 1 119 119 ILE HD12 H 1 0.389 0.02 . 1 . . . . . 487 ILE HD1 . 51649 1 880 . 1 . 1 119 119 ILE HD13 H 1 0.389 0.02 . 1 . . . . . 487 ILE HD1 . 51649 1 881 . 1 . 1 119 119 ILE C C 13 176.014 0.3 . 1 . . . . . 487 ILE C . 51649 1 882 . 1 . 1 119 119 ILE CA C 13 64.905 0.3 . 1 . . . . . 487 ILE CA . 51649 1 883 . 1 . 1 119 119 ILE CB C 13 37.213 0.3 . 1 . . . . . 487 ILE CB . 51649 1 884 . 1 . 1 119 119 ILE CG2 C 13 18.108 0.3 . 1 . . . . . 487 ILE CG2 . 51649 1 885 . 1 . 1 119 119 ILE CD1 C 13 13.865 0.3 . 1 . . . . . 487 ILE CD1 . 51649 1 886 . 1 . 1 119 119 ILE N N 15 110.793 0.3 . 1 . . . . . 487 ILE N . 51649 1 887 . 1 . 1 120 120 GLY H H 1 7.193 0.02 . 1 . . . . . 488 GLY H . 51649 1 888 . 1 . 1 120 120 GLY C C 13 174.437 0.3 . 1 . . . . . 488 GLY C . 51649 1 889 . 1 . 1 120 120 GLY CA C 13 45.744 0.3 . 1 . . . . . 488 GLY CA . 51649 1 890 . 1 . 1 120 120 GLY N N 15 105.359 0.3 . 1 . . . . . 488 GLY N . 51649 1 891 . 1 . 1 121 121 ARG H H 1 7.105 0.02 . 1 . . . . . 489 ARG H . 51649 1 892 . 1 . 1 121 121 ARG C C 13 176.194 0.3 . 1 . . . . . 489 ARG C . 51649 1 893 . 1 . 1 121 121 ARG CA C 13 55.783 0.3 . 1 . . . . . 489 ARG CA . 51649 1 894 . 1 . 1 121 121 ARG CB C 13 30.52 0.3 . 1 . . . . . 489 ARG CB . 51649 1 895 . 1 . 1 121 121 ARG N N 15 116.82 0.3 . 1 . . . . . 489 ARG N . 51649 1 896 . 1 . 1 122 122 THR H H 1 7.631 0.02 . 1 . . . . . 490 THR H . 51649 1 897 . 1 . 1 122 122 THR HG21 H 1 1.206 0.02 . 1 . . . . . 490 THR HG2 . 51649 1 898 . 1 . 1 122 122 THR HG22 H 1 1.206 0.02 . 1 . . . . . 490 THR HG2 . 51649 1 899 . 1 . 1 122 122 THR HG23 H 1 1.206 0.02 . 1 . . . . . 490 THR HG2 . 51649 1 900 . 1 . 1 122 122 THR C C 13 172.706 0.3 . 1 . . . . . 490 THR C . 51649 1 901 . 1 . 1 122 122 THR CA C 13 59.458 0.3 . 1 . . . . . 490 THR CA . 51649 1 902 . 1 . 1 122 122 THR CB C 13 71.401 0.3 . 1 . . . . . 490 THR CB . 51649 1 903 . 1 . 1 122 122 THR CG2 C 13 18.695 0.3 . 1 . . . . . 490 THR CG2 . 51649 1 904 . 1 . 1 122 122 THR N N 15 114.645 0.3 . 1 . . . . . 490 THR N . 51649 1 905 . 1 . 1 123 123 GLY H H 1 8.082 0.02 . 1 . . . . . 491 GLY H . 51649 1 906 . 1 . 1 123 123 GLY C C 13 175.419 0.3 . 1 . . . . . 491 GLY C . 51649 1 907 . 1 . 1 123 123 GLY CA C 13 46.006 0.3 . 1 . . . . . 491 GLY CA . 51649 1 908 . 1 . 1 123 123 GLY N N 15 110.04 0.3 . 1 . . . . . 491 GLY N . 51649 1 909 . 1 . 1 124 124 ARG H H 1 7.971 0.02 . 1 . . . . . 492 ARG H . 51649 1 910 . 1 . 1 124 124 ARG C C 13 176.748 0.3 . 1 . . . . . 492 ARG C . 51649 1 911 . 1 . 1 124 124 ARG CA C 13 56.243 0.3 . 1 . . . . . 492 ARG CA . 51649 1 912 . 1 . 1 124 124 ARG CB C 13 30.848 0.3 . 1 . . . . . 492 ARG CB . 51649 1 913 . 1 . 1 124 124 ARG N N 15 118.351 0.3 . 1 . . . . . 492 ARG N . 51649 1 914 . 1 . 1 125 125 ALA H H 1 8.489 0.02 . 1 . . . . . 493 ALA H . 51649 1 915 . 1 . 1 125 125 ALA HB1 H 1 1.265 0.02 . 1 . . . . . 493 ALA HB . 51649 1 916 . 1 . 1 125 125 ALA HB2 H 1 1.265 0.02 . 1 . . . . . 493 ALA HB . 51649 1 917 . 1 . 1 125 125 ALA HB3 H 1 1.265 0.02 . 1 . . . . . 493 ALA HB . 51649 1 918 . 1 . 1 125 125 ALA C C 13 177.177 0.3 . 1 . . . . . 493 ALA C . 51649 1 919 . 1 . 1 125 125 ALA CA C 13 52.306 0.3 . 1 . . . . . 493 ALA CA . 51649 1 920 . 1 . 1 125 125 ALA CB C 13 18.052 0.3 . 1 . . . . . 493 ALA CB . 51649 1 921 . 1 . 1 125 125 ALA N N 15 123.016 0.3 . 1 . . . . . 493 ALA N . 51649 1 922 . 1 . 1 126 126 GLY H H 1 8.338 0.02 . 1 . . . . . 494 GLY H . 51649 1 923 . 1 . 1 126 126 GLY C C 13 174.27 0.3 . 1 . . . . . 494 GLY C . 51649 1 924 . 1 . 1 126 126 GLY CA C 13 45.547 0.3 . 1 . . . . . 494 GLY CA . 51649 1 925 . 1 . 1 126 126 GLY N N 15 107.215 0.3 . 1 . . . . . 494 GLY N . 51649 1 926 . 1 . 1 127 127 ASN H H 1 7.614 0.02 . 1 . . . . . 495 ASN H . 51649 1 927 . 1 . 1 127 127 ASN C C 13 174.741 0.3 . 1 . . . . . 495 ASN C . 51649 1 928 . 1 . 1 127 127 ASN CA C 13 52.896 0.3 . 1 . . . . . 495 ASN CA . 51649 1 929 . 1 . 1 127 127 ASN CB C 13 40.101 0.3 . 1 . . . . . 495 ASN CB . 51649 1 930 . 1 . 1 127 127 ASN N N 15 118.929 0.3 . 1 . . . . . 495 ASN N . 51649 1 931 . 1 . 1 128 128 THR H H 1 8.152 0.02 . 1 . . . . . 496 THR H . 51649 1 932 . 1 . 1 128 128 THR HG21 H 1 1.201 0.02 . 1 . . . . . 496 THR HG2 . 51649 1 933 . 1 . 1 128 128 THR HG22 H 1 1.201 0.02 . 1 . . . . . 496 THR HG2 . 51649 1 934 . 1 . 1 128 128 THR HG23 H 1 1.201 0.02 . 1 . . . . . 496 THR HG2 . 51649 1 935 . 1 . 1 128 128 THR C C 13 175.239 0.3 . 1 . . . . . 496 THR C . 51649 1 936 . 1 . 1 128 128 THR CA C 13 62.608 0.3 . 1 . . . . . 496 THR CA . 51649 1 937 . 1 . 1 128 128 THR CB C 13 69.826 0.3 . 1 . . . . . 496 THR CB . 51649 1 938 . 1 . 1 128 128 THR CG2 C 13 21.879 0.3 . 1 . . . . . 496 THR CG2 . 51649 1 939 . 1 . 1 128 128 THR N N 15 115.044 0.3 . 1 . . . . . 496 THR N . 51649 1 940 . 1 . 1 129 129 GLY H H 1 8.495 0.02 . 1 . . . . . 497 GLY H . 51649 1 941 . 1 . 1 129 129 GLY C C 13 171.405 0.3 . 1 . . . . . 497 GLY C . 51649 1 942 . 1 . 1 129 129 GLY CA C 13 45.809 0.3 . 1 . . . . . 497 GLY CA . 51649 1 943 . 1 . 1 129 129 GLY N N 15 112.719 0.3 . 1 . . . . . 497 GLY N . 51649 1 944 . 1 . 1 130 130 LEU H H 1 7.392 0.02 . 1 . . . . . 498 LEU H . 51649 1 945 . 1 . 1 130 130 LEU HD11 H 1 0.666 0.02 . 2 . . . . . 498 LEU HD1 . 51649 1 946 . 1 . 1 130 130 LEU HD12 H 1 0.666 0.02 . 2 . . . . . 498 LEU HD1 . 51649 1 947 . 1 . 1 130 130 LEU HD13 H 1 0.666 0.02 . 2 . . . . . 498 LEU HD1 . 51649 1 948 . 1 . 1 130 130 LEU HD21 H 1 0.175 0.02 . 2 . . . . . 498 LEU HD2 . 51649 1 949 . 1 . 1 130 130 LEU HD22 H 1 0.175 0.02 . 2 . . . . . 498 LEU HD2 . 51649 1 950 . 1 . 1 130 130 LEU HD23 H 1 0.175 0.02 . 2 . . . . . 498 LEU HD2 . 51649 1 951 . 1 . 1 130 130 LEU C C 13 173.371 0.3 . 1 . . . . . 498 LEU C . 51649 1 952 . 1 . 1 130 130 LEU CA C 13 54.077 0.3 . 1 . . . . . 498 LEU CA . 51649 1 953 . 1 . 1 130 130 LEU CB C 13 45.153 0.3 . 1 . . . . . 498 LEU CB . 51649 1 954 . 1 . 1 130 130 LEU CD1 C 13 22.843 0.3 . 1 . . . . . 498 LEU CD1 . 51649 1 955 . 1 . 1 130 130 LEU CD2 C 13 24.721 0.3 . 1 . . . . . 498 LEU CD2 . 51649 1 956 . 1 . 1 130 130 LEU N N 15 124.012 0.3 . 1 . . . . . 498 LEU N . 51649 1 957 . 1 . 1 131 131 ALA H H 1 8.942 0.02 . 1 . . . . . 499 ALA H . 51649 1 958 . 1 . 1 131 131 ALA HB1 H 1 1.221 0.02 . 1 . . . . . 499 ALA HB . 51649 1 959 . 1 . 1 131 131 ALA HB2 H 1 1.221 0.02 . 1 . . . . . 499 ALA HB . 51649 1 960 . 1 . 1 131 131 ALA HB3 H 1 1.221 0.02 . 1 . . . . . 499 ALA HB . 51649 1 961 . 1 . 1 131 131 ALA C C 13 175.613 0.3 . 1 . . . . . 499 ALA C . 51649 1 962 . 1 . 1 131 131 ALA CA C 13 50.206 0.3 . 1 . . . . . 499 ALA CA . 51649 1 963 . 1 . 1 131 131 ALA CB C 13 21.596 0.3 . 1 . . . . . 499 ALA CB . 51649 1 964 . 1 . 1 131 131 ALA N N 15 129.531 0.3 . 1 . . . . . 499 ALA N . 51649 1 965 . 1 . 1 132 132 THR H H 1 8.928 0.02 . 1 . . . . . 500 THR H . 51649 1 966 . 1 . 1 132 132 THR HG21 H 1 1.137 0.02 . 1 . . . . . 500 THR HG2 . 51649 1 967 . 1 . 1 132 132 THR HG22 H 1 1.137 0.02 . 1 . . . . . 500 THR HG2 . 51649 1 968 . 1 . 1 132 132 THR HG23 H 1 1.137 0.02 . 1 . . . . . 500 THR HG2 . 51649 1 969 . 1 . 1 132 132 THR C C 13 173.661 0.3 . 1 . . . . . 500 THR C . 51649 1 970 . 1 . 1 132 132 THR CA C 13 62.28 0.3 . 1 . . . . . 500 THR CA . 51649 1 971 . 1 . 1 132 132 THR CB C 13 68.645 0.3 . 1 . . . . . 500 THR CB . 51649 1 972 . 1 . 1 132 132 THR CG2 C 13 22.96 0.3 . 1 . . . . . 500 THR CG2 . 51649 1 973 . 1 . 1 132 132 THR N N 15 121.488 0.3 . 1 . . . . . 500 THR N . 51649 1 974 . 1 . 1 133 133 ALA H H 1 9.061 0.02 . 1 . . . . . 501 ALA H . 51649 1 975 . 1 . 1 133 133 ALA HB1 H 1 1.685 0.02 . 1 . . . . . 501 ALA HB . 51649 1 976 . 1 . 1 133 133 ALA HB2 H 1 1.685 0.02 . 1 . . . . . 501 ALA HB . 51649 1 977 . 1 . 1 133 133 ALA HB3 H 1 1.685 0.02 . 1 . . . . . 501 ALA HB . 51649 1 978 . 1 . 1 133 133 ALA C C 13 174.769 0.3 . 1 . . . . . 501 ALA C . 51649 1 979 . 1 . 1 133 133 ALA CA C 13 49.812 0.3 . 1 . . . . . 501 ALA CA . 51649 1 980 . 1 . 1 133 133 ALA CB C 13 23.04 0.3 . 1 . . . . . 501 ALA CB . 51649 1 981 . 1 . 1 133 133 ALA N N 15 129.991 0.3 . 1 . . . . . 501 ALA N . 51649 1 982 . 1 . 1 134 134 PHE H H 1 7.847 0.02 . 1 . . . . . 502 PHE H . 51649 1 983 . 1 . 1 134 134 PHE C C 13 173.315 0.3 . 1 . . . . . 502 PHE C . 51649 1 984 . 1 . 1 134 134 PHE CA C 13 52.568 0.3 . 1 . . . . . 502 PHE CA . 51649 1 985 . 1 . 1 134 134 PHE CB C 13 37.804 0.3 . 1 . . . . . 502 PHE CB . 51649 1 986 . 1 . 1 134 134 PHE N N 15 121.089 0.3 . 1 . . . . . 502 PHE N . 51649 1 987 . 1 . 1 135 135 PHE H H 1 9.182 0.02 . 1 . . . . . 503 PHE H . 51649 1 988 . 1 . 1 135 135 PHE C C 13 172.776 0.3 . 1 . . . . . 503 PHE C . 51649 1 989 . 1 . 1 135 135 PHE CA C 13 56.374 0.3 . 1 . . . . . 503 PHE CA . 51649 1 990 . 1 . 1 135 135 PHE CB C 13 44.431 0.3 . 1 . . . . . 503 PHE CB . 51649 1 991 . 1 . 1 135 135 PHE N N 15 125.208 0.3 . 1 . . . . . 503 PHE N . 51649 1 992 . 1 . 1 136 136 ASN H H 1 7.349 0.02 . 1 . . . . . 504 ASN H . 51649 1 993 . 1 . 1 136 136 ASN C C 13 174.187 0.3 . 1 . . . . . 504 ASN C . 51649 1 994 . 1 . 1 136 136 ASN CA C 13 52.699 0.3 . 1 . . . . . 504 ASN CA . 51649 1 995 . 1 . 1 136 136 ASN CB C 13 38.066 0.3 . 1 . . . . . 504 ASN CB . 51649 1 996 . 1 . 1 136 136 ASN N N 15 120.635 0.3 . 1 . . . . . 504 ASN N . 51649 1 997 . 1 . 1 137 137 SER H H 1 7.758 0.02 . 1 . . . . . 505 SER H . 51649 1 998 . 1 . 1 137 137 SER C C 13 176.554 0.3 . 1 . . . . . 505 SER C . 51649 1 999 . 1 . 1 137 137 SER CA C 13 61.755 0.3 . 1 . . . . . 505 SER CA . 51649 1 1000 . 1 . 1 137 137 SER CB C 13 62.739 0.3 . 1 . . . . . 505 SER CB . 51649 1 1001 . 1 . 1 137 137 SER N N 15 112.16 0.3 . 1 . . . . . 505 SER N . 51649 1 1002 . 1 . 1 138 138 GLU H H 1 8.285 0.02 . 1 . . . . . 506 GLU H . 51649 1 1003 . 1 . 1 138 138 GLU C C 13 177.8 0.3 . 1 . . . . . 506 GLU C . 51649 1 1004 . 1 . 1 138 138 GLU CA C 13 58.277 0.3 . 1 . . . . . 506 GLU CA . 51649 1 1005 . 1 . 1 138 138 GLU CB C 13 28.617 0.3 . 1 . . . . . 506 GLU CB . 51649 1 1006 . 1 . 1 138 138 GLU N N 15 122.406 0.3 . 1 . . . . . 506 GLU N . 51649 1 1007 . 1 . 1 139 139 ASN H H 1 8.178 0.02 . 1 . . . . . 507 ASN H . 51649 1 1008 . 1 . 1 139 139 ASN C C 13 174.741 0.3 . 1 . . . . . 507 ASN C . 51649 1 1009 . 1 . 1 139 139 ASN CA C 13 53.224 0.3 . 1 . . . . . 507 ASN CA . 51649 1 1010 . 1 . 1 139 139 ASN CB C 13 40.166 0.3 . 1 . . . . . 507 ASN CB . 51649 1 1011 . 1 . 1 139 139 ASN N N 15 117.17 0.3 . 1 . . . . . 507 ASN N . 51649 1 1012 . 1 . 1 140 140 SER H H 1 7.224 0.02 . 1 . . . . . 508 SER H . 51649 1 1013 . 1 . 1 140 140 SER C C 13 175.419 0.3 . 1 . . . . . 508 SER C . 51649 1 1014 . 1 . 1 140 140 SER CA C 13 62.017 0.3 . 1 . . . . . 508 SER CA . 51649 1 1015 . 1 . 1 140 140 SER CB C 13 62.87 0.3 . 1 . . . . . 508 SER CB . 51649 1 1016 . 1 . 1 140 140 SER N N 15 115.26 0.3 . 1 . . . . . 508 SER N . 51649 1 1017 . 1 . 1 141 141 ASN H H 1 8.524 0.02 . 1 . . . . . 509 ASN H . 51649 1 1018 . 1 . 1 141 141 ASN C C 13 176.679 0.3 . 1 . . . . . 509 ASN C . 51649 1 1019 . 1 . 1 141 141 ASN CA C 13 55.521 0.3 . 1 . . . . . 509 ASN CA . 51649 1 1020 . 1 . 1 141 141 ASN CB C 13 37.213 0.3 . 1 . . . . . 509 ASN CB . 51649 1 1021 . 1 . 1 141 141 ASN N N 15 119.504 0.3 . 1 . . . . . 509 ASN N . 51649 1 1022 . 1 . 1 142 142 ILE H H 1 7.669 0.02 . 1 . . . . . 510 ILE H . 51649 1 1023 . 1 . 1 142 142 ILE HG21 H 1 0.917 0.02 . 1 . . . . . 510 ILE HG2 . 51649 1 1024 . 1 . 1 142 142 ILE HG22 H 1 0.917 0.02 . 1 . . . . . 510 ILE HG2 . 51649 1 1025 . 1 . 1 142 142 ILE HG23 H 1 0.917 0.02 . 1 . . . . . 510 ILE HG2 . 51649 1 1026 . 1 . 1 142 142 ILE HD11 H 1 0.7 0.02 . 1 . . . . . 510 ILE HD1 . 51649 1 1027 . 1 . 1 142 142 ILE HD12 H 1 0.7 0.02 . 1 . . . . . 510 ILE HD1 . 51649 1 1028 . 1 . 1 142 142 ILE HD13 H 1 0.7 0.02 . 1 . . . . . 510 ILE HD1 . 51649 1 1029 . 1 . 1 142 142 ILE C C 13 175.696 0.3 . 1 . . . . . 510 ILE C . 51649 1 1030 . 1 . 1 142 142 ILE CA C 13 60.705 0.3 . 1 . . . . . 510 ILE CA . 51649 1 1031 . 1 . 1 142 142 ILE CB C 13 40.363 0.3 . 1 . . . . . 510 ILE CB . 51649 1 1032 . 1 . 1 142 142 ILE CG2 C 13 16.134 0.3 . 1 . . . . . 510 ILE CG2 . 51649 1 1033 . 1 . 1 142 142 ILE CD1 C 13 14.5 0.3 . 1 . . . . . 510 ILE CD1 . 51649 1 1034 . 1 . 1 142 142 ILE N N 15 116.572 0.3 . 1 . . . . . 510 ILE N . 51649 1 1035 . 1 . 1 143 143 VAL H H 1 7.281 0.02 . 1 . . . . . 511 VAL H . 51649 1 1036 . 1 . 1 143 143 VAL HG11 H 1 0.916 0.02 . 2 . . . . . 511 VAL HG1 . 51649 1 1037 . 1 . 1 143 143 VAL HG12 H 1 0.916 0.02 . 2 . . . . . 511 VAL HG1 . 51649 1 1038 . 1 . 1 143 143 VAL HG13 H 1 0.916 0.02 . 2 . . . . . 511 VAL HG1 . 51649 1 1039 . 1 . 1 143 143 VAL HG21 H 1 1.211 0.02 . 2 . . . . . 511 VAL HG2 . 51649 1 1040 . 1 . 1 143 143 VAL HG22 H 1 1.211 0.02 . 2 . . . . . 511 VAL HG2 . 51649 1 1041 . 1 . 1 143 143 VAL HG23 H 1 1.211 0.02 . 2 . . . . . 511 VAL HG2 . 51649 1 1042 . 1 . 1 143 143 VAL C C 13 176.098 0.3 . 1 . . . . . 511 VAL C . 51649 1 1043 . 1 . 1 143 143 VAL CA C 13 67.792 0.3 . 1 . . . . . 511 VAL CA . 51649 1 1044 . 1 . 1 143 143 VAL CB C 13 31.832 0.3 . 1 . . . . . 511 VAL CB . 51649 1 1045 . 1 . 1 143 143 VAL CG1 C 13 21.196 0.3 . 1 . . . . . 511 VAL CG1 . 51649 1 1046 . 1 . 1 143 143 VAL CG2 C 13 25.007 0.3 . 1 . . . . . 511 VAL CG2 . 51649 1 1047 . 1 . 1 143 143 VAL N N 15 122.683 0.3 . 1 . . . . . 511 VAL N . 51649 1 1048 . 1 . 1 144 144 LYS H H 1 8.358 0.02 . 1 . . . . . 512 LYS H . 51649 1 1049 . 1 . 1 144 144 LYS C C 13 179.392 0.3 . 1 . . . . . 512 LYS C . 51649 1 1050 . 1 . 1 144 144 LYS CA C 13 60.311 0.3 . 1 . . . . . 512 LYS CA . 51649 1 1051 . 1 . 1 144 144 LYS CB C 13 31.94 0.3 . 1 . . . . . 512 LYS CB . 51649 1 1052 . 1 . 1 144 144 LYS N N 15 119.799 0.3 . 1 . . . . . 512 LYS N . 51649 1 1053 . 1 . 1 145 145 GLY H H 1 8.178 0.02 . 1 . . . . . 513 GLY H . 51649 1 1054 . 1 . 1 145 145 GLY C C 13 176.098 0.3 . 1 . . . . . 513 GLY C . 51649 1 1055 . 1 . 1 145 145 GLY CA C 13 46.991 0.3 . 1 . . . . . 513 GLY CA . 51649 1 1056 . 1 . 1 145 145 GLY N N 15 107.67 0.3 . 1 . . . . . 513 GLY N . 51649 1 1057 . 1 . 1 146 146 LEU H H 1 8.686 0.02 . 1 . . . . . 514 LEU H . 51649 1 1058 . 1 . 1 146 146 LEU HD11 H 1 0.309 0.02 . 2 . . . . . 514 LEU HD1 . 51649 1 1059 . 1 . 1 146 146 LEU HD12 H 1 0.309 0.02 . 2 . . . . . 514 LEU HD1 . 51649 1 1060 . 1 . 1 146 146 LEU HD13 H 1 0.309 0.02 . 2 . . . . . 514 LEU HD1 . 51649 1 1061 . 1 . 1 146 146 LEU HD21 H 1 0.282 0.02 . 2 . . . . . 514 LEU HD2 . 51649 1 1062 . 1 . 1 146 146 LEU HD22 H 1 0.282 0.02 . 2 . . . . . 514 LEU HD2 . 51649 1 1063 . 1 . 1 146 146 LEU HD23 H 1 0.282 0.02 . 2 . . . . . 514 LEU HD2 . 51649 1 1064 . 1 . 1 146 146 LEU C C 13 177.731 0.3 . 1 . . . . . 514 LEU C . 51649 1 1065 . 1 . 1 146 146 LEU CA C 13 57.752 0.3 . 1 . . . . . 514 LEU CA . 51649 1 1066 . 1 . 1 146 146 LEU CB C 13 42.66 0.3 . 1 . . . . . 514 LEU CB . 51649 1 1067 . 1 . 1 146 146 LEU CD1 C 13 23.407 0.3 . 1 . . . . . 514 LEU CD1 . 51649 1 1068 . 1 . 1 146 146 LEU CD2 C 13 23.771 0.3 . 1 . . . . . 514 LEU CD2 . 51649 1 1069 . 1 . 1 146 146 LEU N N 15 122.983 0.3 . 1 . . . . . 514 LEU N . 51649 1 1070 . 1 . 1 147 147 HIS H H 1 8.686 0.02 . 1 . . . . . 515 HIS H . 51649 1 1071 . 1 . 1 147 147 HIS C C 13 178.492 0.3 . 1 . . . . . 515 HIS C . 51649 1 1072 . 1 . 1 147 147 HIS CA C 13 61.886 0.3 . 1 . . . . . 515 HIS CA . 51649 1 1073 . 1 . 1 147 147 HIS CB C 13 30.258 0.3 . 1 . . . . . 515 HIS CB . 51649 1 1074 . 1 . 1 147 147 HIS N N 15 119.016 0.3 . 1 . . . . . 515 HIS N . 51649 1 1075 . 1 . 1 148 148 GLU H H 1 7.911 0.02 . 1 . . . . . 516 GLU H . 51649 1 1076 . 1 . 1 148 148 GLU C C 13 178.271 0.3 . 1 . . . . . 516 GLU C . 51649 1 1077 . 1 . 1 148 148 GLU CA C 13 59.786 0.3 . 1 . . . . . 516 GLU CA . 51649 1 1078 . 1 . 1 148 148 GLU CB C 13 29.536 0.3 . 1 . . . . . 516 GLU CB . 51649 1 1079 . 1 . 1 148 148 GLU N N 15 120.624 0.3 . 1 . . . . . 516 GLU N . 51649 1 1080 . 1 . 1 149 149 ILE H H 1 7.929 0.02 . 1 . . . . . 517 ILE H . 51649 1 1081 . 1 . 1 149 149 ILE HG21 H 1 0.988 0.02 . 1 . . . . . 517 ILE HG2 . 51649 1 1082 . 1 . 1 149 149 ILE HG22 H 1 0.988 0.02 . 1 . . . . . 517 ILE HG2 . 51649 1 1083 . 1 . 1 149 149 ILE HG23 H 1 0.988 0.02 . 1 . . . . . 517 ILE HG2 . 51649 1 1084 . 1 . 1 149 149 ILE HD11 H 1 0.763 0.02 . 1 . . . . . 517 ILE HD1 . 51649 1 1085 . 1 . 1 149 149 ILE HD12 H 1 0.763 0.02 . 1 . . . . . 517 ILE HD1 . 51649 1 1086 . 1 . 1 149 149 ILE HD13 H 1 0.763 0.02 . 1 . . . . . 517 ILE HD1 . 51649 1 1087 . 1 . 1 149 149 ILE C C 13 179.129 0.3 . 1 . . . . . 517 ILE C . 51649 1 1088 . 1 . 1 149 149 ILE CA C 13 63.658 0.3 . 1 . . . . . 517 ILE CA . 51649 1 1089 . 1 . 1 149 149 ILE CB C 13 37.345 0.3 . 1 . . . . . 517 ILE CB . 51649 1 1090 . 1 . 1 149 149 ILE CG2 C 13 17.875 0.3 . 1 . . . . . 517 ILE CG2 . 51649 1 1091 . 1 . 1 149 149 ILE CD1 C 13 12.855 0.3 . 1 . . . . . 517 ILE CD1 . 51649 1 1092 . 1 . 1 149 149 ILE N N 15 120.582 0.3 . 1 . . . . . 517 ILE N . 51649 1 1093 . 1 . 1 150 150 LEU H H 1 8.305 0.02 . 1 . . . . . 518 LEU H . 51649 1 1094 . 1 . 1 150 150 LEU HD11 H 1 0.555 0.02 . 2 . . . . . 518 LEU HD1 . 51649 1 1095 . 1 . 1 150 150 LEU HD12 H 1 0.555 0.02 . 2 . . . . . 518 LEU HD1 . 51649 1 1096 . 1 . 1 150 150 LEU HD13 H 1 0.555 0.02 . 2 . . . . . 518 LEU HD1 . 51649 1 1097 . 1 . 1 150 150 LEU HD21 H 1 0.62 0.02 . 2 . . . . . 518 LEU HD2 . 51649 1 1098 . 1 . 1 150 150 LEU HD22 H 1 0.62 0.02 . 2 . . . . . 518 LEU HD2 . 51649 1 1099 . 1 . 1 150 150 LEU HD23 H 1 0.62 0.02 . 2 . . . . . 518 LEU HD2 . 51649 1 1100 . 1 . 1 150 150 LEU C C 13 178.797 0.3 . 1 . . . . . 518 LEU C . 51649 1 1101 . 1 . 1 150 150 LEU CA C 13 58.277 0.3 . 1 . . . . . 518 LEU CA . 51649 1 1102 . 1 . 1 150 150 LEU CB C 13 41.807 0.3 . 1 . . . . . 518 LEU CB . 51649 1 1103 . 1 . 1 150 150 LEU CD1 C 13 22.345 0.3 . 1 . . . . . 518 LEU CD1 . 51649 1 1104 . 1 . 1 150 150 LEU CD2 C 13 26.097 0.3 . 1 . . . . . 518 LEU CD2 . 51649 1 1105 . 1 . 1 150 150 LEU N N 15 120.093 0.3 . 1 . . . . . 518 LEU N . 51649 1 1106 . 1 . 1 151 151 THR H H 1 7.784 0.02 . 1 . . . . . 519 THR H . 51649 1 1107 . 1 . 1 151 151 THR HG21 H 1 1.052 0.02 . 1 . . . . . 519 THR HG2 . 51649 1 1108 . 1 . 1 151 151 THR HG22 H 1 1.052 0.02 . 1 . . . . . 519 THR HG2 . 51649 1 1109 . 1 . 1 151 151 THR HG23 H 1 1.052 0.02 . 1 . . . . . 519 THR HG2 . 51649 1 1110 . 1 . 1 151 151 THR C C 13 179.018 0.3 . 1 . . . . . 519 THR C . 51649 1 1111 . 1 . 1 151 151 THR CA C 13 66.611 0.3 . 1 . . . . . 519 THR CA . 51649 1 1112 . 1 . 1 151 151 THR CB C 13 68.776 0.3 . 1 . . . . . 519 THR CB . 51649 1 1113 . 1 . 1 151 151 THR CG2 C 13 21.121 0.3 . 1 . . . . . 519 THR CG2 . 51649 1 1114 . 1 . 1 151 151 THR N N 15 114.114 0.3 . 1 . . . . . 519 THR N . 51649 1 1115 . 1 . 1 152 152 GLU H H 1 8.324 0.02 . 1 . . . . . 520 GLU H . 51649 1 1116 . 1 . 1 152 152 GLU C C 13 177.039 0.3 . 1 . . . . . 520 GLU C . 51649 1 1117 . 1 . 1 152 152 GLU CA C 13 59.196 0.3 . 1 . . . . . 520 GLU CA . 51649 1 1118 . 1 . 1 152 152 GLU CB C 13 29.208 0.3 . 1 . . . . . 520 GLU CB . 51649 1 1119 . 1 . 1 152 152 GLU N N 15 124.278 0.3 . 1 . . . . . 520 GLU N . 51649 1 1120 . 1 . 1 153 153 ALA H H 1 7.269 0.02 . 1 . . . . . 521 ALA H . 51649 1 1121 . 1 . 1 153 153 ALA HB1 H 1 1.439 0.02 . 1 . . . . . 521 ALA HB . 51649 1 1122 . 1 . 1 153 153 ALA HB2 H 1 1.439 0.02 . 1 . . . . . 521 ALA HB . 51649 1 1123 . 1 . 1 153 153 ALA HB3 H 1 1.439 0.02 . 1 . . . . . 521 ALA HB . 51649 1 1124 . 1 . 1 153 153 ALA C C 13 176.485 0.3 . 1 . . . . . 521 ALA C . 51649 1 1125 . 1 . 1 153 153 ALA CA C 13 51.518 0.3 . 1 . . . . . 521 ALA CA . 51649 1 1126 . 1 . 1 153 153 ALA CB C 13 18.906 0.3 . 1 . . . . . 521 ALA CB . 51649 1 1127 . 1 . 1 153 153 ALA N N 15 118.498 0.3 . 1 . . . . . 521 ALA N . 51649 1 1128 . 1 . 1 154 154 ASN H H 1 7.922 0.02 . 1 . . . . . 522 ASN H . 51649 1 1129 . 1 . 1 154 154 ASN C C 13 174.644 0.3 . 1 . . . . . 522 ASN C . 51649 1 1130 . 1 . 1 154 154 ASN CA C 13 54.537 0.3 . 1 . . . . . 522 ASN CA . 51649 1 1131 . 1 . 1 154 154 ASN CB C 13 37.082 0.3 . 1 . . . . . 522 ASN CB . 51649 1 1132 . 1 . 1 154 154 ASN N N 15 117.19 0.3 . 1 . . . . . 522 ASN N . 51649 1 1133 . 1 . 1 155 155 GLN H H 1 8.131 0.02 . 1 . . . . . 523 GLN H . 51649 1 1134 . 1 . 1 155 155 GLN C C 13 174.755 0.3 . 1 . . . . . 523 GLN C . 51649 1 1135 . 1 . 1 155 155 GLN CA C 13 52.962 0.3 . 1 . . . . . 523 GLN CA . 51649 1 1136 . 1 . 1 155 155 GLN CB C 13 31.308 0.3 . 1 . . . . . 523 GLN CB . 51649 1 1137 . 1 . 1 155 155 GLN N N 15 115.591 0.3 . 1 . . . . . 523 GLN N . 51649 1 1138 . 1 . 1 156 156 GLU H H 1 8.184 0.02 . 1 . . . . . 524 GLU H . 51649 1 1139 . 1 . 1 156 156 GLU C C 13 175.724 0.3 . 1 . . . . . 524 GLU C . 51649 1 1140 . 1 . 1 156 156 GLU CA C 13 57.03 0.3 . 1 . . . . . 524 GLU CA . 51649 1 1141 . 1 . 1 156 156 GLU CB C 13 29.995 0.3 . 1 . . . . . 524 GLU CB . 51649 1 1142 . 1 . 1 156 156 GLU N N 15 120.823 0.3 . 1 . . . . . 524 GLU N . 51649 1 1143 . 1 . 1 157 157 VAL H H 1 8.253 0.02 . 1 . . . . . 525 VAL H . 51649 1 1144 . 1 . 1 157 157 VAL C C 13 174.077 0.3 . 1 . . . . . 525 VAL C . 51649 1 1145 . 1 . 1 157 157 VAL CA C 13 59.196 0.3 . 1 . . . . . 525 VAL CA . 51649 1 1146 . 1 . 1 157 157 VAL CB C 13 32.226 0.3 . 1 . . . . . 525 VAL CB . 51649 1 1147 . 1 . 1 157 157 VAL N N 15 125.873 0.3 . 1 . . . . . 525 VAL N . 51649 1 1148 . 1 . 1 160 160 PHE H H 1 6.894 0.02 . 1 . . . . . 528 PHE H . 51649 1 1149 . 1 . 1 160 160 PHE C C 13 176.983 0.3 . 1 . . . . . 528 PHE C . 51649 1 1150 . 1 . 1 160 160 PHE CA C 13 58.343 0.3 . 1 . . . . . 528 PHE CA . 51649 1 1151 . 1 . 1 160 160 PHE CB C 13 37.016 0.3 . 1 . . . . . 528 PHE CB . 51649 1 1152 . 1 . 1 160 160 PHE N N 15 114.916 0.3 . 1 . . . . . 528 PHE N . 51649 1 1153 . 1 . 1 161 161 LEU H H 1 6.678 0.02 . 1 . . . . . 529 LEU H . 51649 1 1154 . 1 . 1 161 161 LEU HD11 H 1 0.177 0.02 . 2 . . . . . 529 LEU HD1 . 51649 1 1155 . 1 . 1 161 161 LEU HD12 H 1 0.177 0.02 . 2 . . . . . 529 LEU HD1 . 51649 1 1156 . 1 . 1 161 161 LEU HD13 H 1 0.177 0.02 . 2 . . . . . 529 LEU HD1 . 51649 1 1157 . 1 . 1 161 161 LEU HD21 H 1 0.34 0.02 . 2 . . . . . 529 LEU HD2 . 51649 1 1158 . 1 . 1 161 161 LEU HD22 H 1 0.34 0.02 . 2 . . . . . 529 LEU HD2 . 51649 1 1159 . 1 . 1 161 161 LEU HD23 H 1 0.34 0.02 . 2 . . . . . 529 LEU HD2 . 51649 1 1160 . 1 . 1 161 161 LEU C C 13 176.803 0.3 . 1 . . . . . 529 LEU C . 51649 1 1161 . 1 . 1 161 161 LEU CA C 13 55.915 0.3 . 1 . . . . . 529 LEU CA . 51649 1 1162 . 1 . 1 161 161 LEU CB C 13 41.741 0.3 . 1 . . . . . 529 LEU CB . 51649 1 1163 . 1 . 1 161 161 LEU CD1 C 13 23.807 0.3 . 1 . . . . . 529 LEU CD1 . 51649 1 1164 . 1 . 1 161 161 LEU CD2 C 13 26.004 0.3 . 1 . . . . . 529 LEU CD2 . 51649 1 1165 . 1 . 1 161 161 LEU N N 15 123.082 0.3 . 1 . . . . . 529 LEU N . 51649 1 1166 . 1 . 1 162 162 LYS H H 1 6.912 0.02 . 1 . . . . . 530 LYS H . 51649 1 1167 . 1 . 1 162 162 LYS C C 13 178.811 0.3 . 1 . . . . . 530 LYS C . 51649 1 1168 . 1 . 1 162 162 LYS CA C 13 58.868 0.3 . 1 . . . . . 530 LYS CA . 51649 1 1169 . 1 . 1 162 162 LYS CB C 13 32.161 0.3 . 1 . . . . . 530 LYS CB . 51649 1 1170 . 1 . 1 162 162 LYS N N 15 118.662 0.3 . 1 . . . . . 530 LYS N . 51649 1 1171 . 1 . 1 163 163 ASP H H 1 8.108 0.02 . 1 . . . . . 531 ASP H . 51649 1 1172 . 1 . 1 163 163 ASP C C 13 177.62 0.3 . 1 . . . . . 531 ASP C . 51649 1 1173 . 1 . 1 163 163 ASP CA C 13 56.21 0.3 . 1 . . . . . 531 ASP CA . 51649 1 1174 . 1 . 1 163 163 ASP CB C 13 40.429 0.3 . 1 . . . . . 531 ASP CB . 51649 1 1175 . 1 . 1 163 163 ASP N N 15 119.03 0.3 . 1 . . . . . 531 ASP N . 51649 1 1176 . 1 . 1 164 164 ALA H H 1 7.348 0.02 . 1 . . . . . 532 ALA H . 51649 1 1177 . 1 . 1 164 164 ALA HB1 H 1 1.536 0.02 . 1 . . . . . 532 ALA HB . 51649 1 1178 . 1 . 1 164 164 ALA HB2 H 1 1.536 0.02 . 1 . . . . . 532 ALA HB . 51649 1 1179 . 1 . 1 164 164 ALA HB3 H 1 1.536 0.02 . 1 . . . . . 532 ALA HB . 51649 1 1180 . 1 . 1 164 164 ALA C C 13 178.146 0.3 . 1 . . . . . 532 ALA C . 51649 1 1181 . 1 . 1 164 164 ALA CA C 13 53.29 0.3 . 1 . . . . . 532 ALA CA . 51649 1 1182 . 1 . 1 164 164 ALA CB C 13 18.906 0.3 . 1 . . . . . 532 ALA CB . 51649 1 1183 . 1 . 1 164 164 ALA N N 15 121.852 0.3 . 1 . . . . . 532 ALA N . 51649 1 1184 . 1 . 1 165 165 MET H H 1 7.538 0.02 . 1 . . . . . 533 MET H . 51649 1 1185 . 1 . 1 165 165 MET C C 13 176.374 0.3 . 1 . . . . . 533 MET C . 51649 1 1186 . 1 . 1 165 165 MET CA C 13 55.915 0.3 . 1 . . . . . 533 MET CA . 51649 1 1187 . 1 . 1 165 165 MET CB C 13 32.686 0.3 . 1 . . . . . 533 MET CB . 51649 1 1188 . 1 . 1 165 165 MET N N 15 117.625 0.3 . 1 . . . . . 533 MET N . 51649 1 1189 . 1 . 1 166 166 MET H H 1 7.688 0.02 . 1 . . . . . 534 MET H . 51649 1 1190 . 1 . 1 166 166 MET C C 13 175.405 0.3 . 1 . . . . . 534 MET C . 51649 1 1191 . 1 . 1 166 166 MET CA C 13 55.521 0.3 . 1 . . . . . 534 MET CA . 51649 1 1192 . 1 . 1 166 166 MET CB C 13 32.751 0.3 . 1 . . . . . 534 MET CB . 51649 1 1193 . 1 . 1 166 166 MET N N 15 120.159 0.3 . 1 . . . . . 534 MET N . 51649 1 1194 . 1 . 1 167 167 SER H H 1 7.652 0.02 . 1 . . . . . 535 SER H . 51649 1 1195 . 1 . 1 167 167 SER C C 13 178.631 0.3 . 1 . . . . . 535 SER C . 51649 1 1196 . 1 . 1 167 167 SER CA C 13 60.18 0.3 . 1 . . . . . 535 SER CA . 51649 1 1197 . 1 . 1 167 167 SER CB C 13 64.905 0.3 . 1 . . . . . 535 SER CB . 51649 1 1198 . 1 . 1 167 167 SER N N 15 122.517 0.3 . 1 . . . . . 535 SER N . 51649 1 stop_ save_