data_17685 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17685 _Entry.Title ; Solution structure of the C-terminal Pdr1 activating domain of Zuo1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-02 _Entry.Accession_date 2011-06-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 B. Volkman . F. . 17685 2 J. Waltner . K. . 17685 3 F. Peterson . C. . 17685 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17685 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID J-protein . 17685 'molecular chaperone' . 17685 'pleiotropic drug resistance' . 17685 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17685 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 373 17685 '15N chemical shifts' 93 17685 '1H chemical shifts' 616 17685 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-03-27 2011-06-02 update BMRB 'update entry citation' 17685 1 . . 2012-10-01 2011-06-02 original author 'original release' 17685 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LWX 'BMRB Entry Tracking System' 17685 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17685 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23036859 _Citation.Full_citation . _Citation.Title 'Unfolding of the C-terminal domain of the J-protein Zuo1 releases autoinhibition and activates Pdr1-dependent transcription.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 425 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 19 _Citation.Page_last 31 _Citation.Year 2013 _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.Entry_ID _Citation_author.Citation_ID 1 Jeanette Ducett . K. . 17685 1 2 Francis Peterson . C. . 17685 1 3 Lindsey Hoover . A. . 17685 1 4 Amy Prunuske . J. . 17685 1 5 Brian Volkman . F. . 17685 1 6 Elizabeth Craig . A. . 17685 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17685 _Assembly.ID 1 _Assembly.Name Zuo1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Zuo1 1 $Zuo1 A . yes native no no . . . 17685 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Zuo1 _Entity.Sf_category entity _Entity.Sf_framecode Zuo1 _Entity.Entry_ID 17685 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Zuo1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHHHGSENLYFQ GSKAAKKKNKRAIRNSAKEA DYFGDADKATTIDEQVGLIV DSLNDEELVSTADKIKANAA GAKEVLKESAKTIVDSGKLP SSLLSYFV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details "The N-terminal residues 'MRGSHHHHHHHHGSENLYFQGS' are a cloning artifact." _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment Zuo1 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11836.323 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LWX . "Solution Structure Of The C-terminal Pdr1-activating Domain Of The J- Protein Zuo1" . . . . . 100.00 108 100.00 100.00 4.00e-70 . . . . 17685 1 2 no DBJ GAA23651 . "K7_Zuo1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 70.37 433 98.68 98.68 4.75e-40 . . . . 17685 1 3 no EMBL CAY80044 . "Zuo1p [Saccharomyces cerevisiae EC1118]" . . . . . 70.37 433 98.68 98.68 4.42e-40 . . . . 17685 1 4 no GB AHY79619 . "Zuo1p [Saccharomyces cerevisiae YJM993]" . . . . . 70.37 433 98.68 98.68 4.51e-40 . . . . 17685 1 5 no GB AJP39050 . "Zuo1p [Saccharomyces cerevisiae YJM1078]" . . . . . 70.37 433 98.68 98.68 4.51e-40 . . . . 17685 1 6 no GB AJR76370 . "Zuo1p [Saccharomyces cerevisiae YJM189]" . . . . . 70.37 433 98.68 98.68 4.75e-40 . . . . 17685 1 7 no GB AJR76866 . "Zuo1p [Saccharomyces cerevisiae YJM193]" . . . . . 70.37 433 98.68 98.68 4.75e-40 . . . . 17685 1 8 no GB AJR77364 . "Zuo1p [Saccharomyces cerevisiae YJM195]" . . . . . 70.37 433 98.68 98.68 4.75e-40 . . . . 17685 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 326 MET . 17685 1 2 327 ARG . 17685 1 3 328 GLY . 17685 1 4 329 SER . 17685 1 5 330 HIS . 17685 1 6 331 HIS . 17685 1 7 332 HIS . 17685 1 8 333 HIS . 17685 1 9 334 HIS . 17685 1 10 335 HIS . 17685 1 11 336 HIS . 17685 1 12 337 HIS . 17685 1 13 338 GLY . 17685 1 14 339 SER . 17685 1 15 340 GLU . 17685 1 16 341 ASN . 17685 1 17 342 LEU . 17685 1 18 343 TYR . 17685 1 19 344 PHE . 17685 1 20 345 GLN . 17685 1 21 346 GLY . 17685 1 22 347 SER . 17685 1 23 348 LYS . 17685 1 24 349 ALA . 17685 1 25 350 ALA . 17685 1 26 351 LYS . 17685 1 27 352 LYS . 17685 1 28 353 LYS . 17685 1 29 354 ASN . 17685 1 30 355 LYS . 17685 1 31 356 ARG . 17685 1 32 357 ALA . 17685 1 33 358 ILE . 17685 1 34 359 ARG . 17685 1 35 360 ASN . 17685 1 36 361 SER . 17685 1 37 362 ALA . 17685 1 38 363 LYS . 17685 1 39 364 GLU . 17685 1 40 365 ALA . 17685 1 41 366 ASP . 17685 1 42 367 TYR . 17685 1 43 368 PHE . 17685 1 44 369 GLY . 17685 1 45 370 ASP . 17685 1 46 371 ALA . 17685 1 47 372 ASP . 17685 1 48 373 LYS . 17685 1 49 374 ALA . 17685 1 50 375 THR . 17685 1 51 376 THR . 17685 1 52 377 ILE . 17685 1 53 378 ASP . 17685 1 54 379 GLU . 17685 1 55 380 GLN . 17685 1 56 381 VAL . 17685 1 57 382 GLY . 17685 1 58 383 LEU . 17685 1 59 384 ILE . 17685 1 60 385 VAL . 17685 1 61 386 ASP . 17685 1 62 387 SER . 17685 1 63 388 LEU . 17685 1 64 389 ASN . 17685 1 65 390 ASP . 17685 1 66 391 GLU . 17685 1 67 392 GLU . 17685 1 68 393 LEU . 17685 1 69 394 VAL . 17685 1 70 395 SER . 17685 1 71 396 THR . 17685 1 72 397 ALA . 17685 1 73 398 ASP . 17685 1 74 399 LYS . 17685 1 75 400 ILE . 17685 1 76 401 LYS . 17685 1 77 402 ALA . 17685 1 78 403 ASN . 17685 1 79 404 ALA . 17685 1 80 405 ALA . 17685 1 81 406 GLY . 17685 1 82 407 ALA . 17685 1 83 408 LYS . 17685 1 84 409 GLU . 17685 1 85 410 VAL . 17685 1 86 411 LEU . 17685 1 87 412 LYS . 17685 1 88 413 GLU . 17685 1 89 414 SER . 17685 1 90 415 ALA . 17685 1 91 416 LYS . 17685 1 92 417 THR . 17685 1 93 418 ILE . 17685 1 94 419 VAL . 17685 1 95 420 ASP . 17685 1 96 421 SER . 17685 1 97 422 GLY . 17685 1 98 423 LYS . 17685 1 99 424 LEU . 17685 1 100 425 PRO . 17685 1 101 426 SER . 17685 1 102 427 SER . 17685 1 103 428 LEU . 17685 1 104 429 LEU . 17685 1 105 430 SER . 17685 1 106 431 TYR . 17685 1 107 432 PHE . 17685 1 108 433 VAL . 17685 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17685 1 . ARG 2 2 17685 1 . GLY 3 3 17685 1 . SER 4 4 17685 1 . HIS 5 5 17685 1 . HIS 6 6 17685 1 . HIS 7 7 17685 1 . HIS 8 8 17685 1 . HIS 9 9 17685 1 . HIS 10 10 17685 1 . HIS 11 11 17685 1 . HIS 12 12 17685 1 . GLY 13 13 17685 1 . SER 14 14 17685 1 . GLU 15 15 17685 1 . ASN 16 16 17685 1 . LEU 17 17 17685 1 . TYR 18 18 17685 1 . PHE 19 19 17685 1 . GLN 20 20 17685 1 . GLY 21 21 17685 1 . SER 22 22 17685 1 . LYS 23 23 17685 1 . ALA 24 24 17685 1 . ALA 25 25 17685 1 . LYS 26 26 17685 1 . LYS 27 27 17685 1 . LYS 28 28 17685 1 . ASN 29 29 17685 1 . LYS 30 30 17685 1 . ARG 31 31 17685 1 . ALA 32 32 17685 1 . ILE 33 33 17685 1 . ARG 34 34 17685 1 . ASN 35 35 17685 1 . SER 36 36 17685 1 . ALA 37 37 17685 1 . LYS 38 38 17685 1 . GLU 39 39 17685 1 . ALA 40 40 17685 1 . ASP 41 41 17685 1 . TYR 42 42 17685 1 . PHE 43 43 17685 1 . GLY 44 44 17685 1 . ASP 45 45 17685 1 . ALA 46 46 17685 1 . ASP 47 47 17685 1 . LYS 48 48 17685 1 . ALA 49 49 17685 1 . THR 50 50 17685 1 . THR 51 51 17685 1 . ILE 52 52 17685 1 . ASP 53 53 17685 1 . GLU 54 54 17685 1 . GLN 55 55 17685 1 . VAL 56 56 17685 1 . GLY 57 57 17685 1 . LEU 58 58 17685 1 . ILE 59 59 17685 1 . VAL 60 60 17685 1 . ASP 61 61 17685 1 . SER 62 62 17685 1 . LEU 63 63 17685 1 . ASN 64 64 17685 1 . ASP 65 65 17685 1 . GLU 66 66 17685 1 . GLU 67 67 17685 1 . LEU 68 68 17685 1 . VAL 69 69 17685 1 . SER 70 70 17685 1 . THR 71 71 17685 1 . ALA 72 72 17685 1 . ASP 73 73 17685 1 . LYS 74 74 17685 1 . ILE 75 75 17685 1 . LYS 76 76 17685 1 . ALA 77 77 17685 1 . ASN 78 78 17685 1 . ALA 79 79 17685 1 . ALA 80 80 17685 1 . GLY 81 81 17685 1 . ALA 82 82 17685 1 . LYS 83 83 17685 1 . GLU 84 84 17685 1 . VAL 85 85 17685 1 . LEU 86 86 17685 1 . LYS 87 87 17685 1 . GLU 88 88 17685 1 . SER 89 89 17685 1 . ALA 90 90 17685 1 . LYS 91 91 17685 1 . THR 92 92 17685 1 . ILE 93 93 17685 1 . VAL 94 94 17685 1 . ASP 95 95 17685 1 . SER 96 96 17685 1 . GLY 97 97 17685 1 . LYS 98 98 17685 1 . LEU 99 99 17685 1 . PRO 100 100 17685 1 . SER 101 101 17685 1 . SER 102 102 17685 1 . LEU 103 103 17685 1 . LEU 104 104 17685 1 . SER 105 105 17685 1 . TYR 106 106 17685 1 . PHE 107 107 17685 1 . VAL 108 108 17685 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17685 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Zuo1 . 4932 organism . 'Saccharomyces cerevisiae' yeast . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . Zuo1 . . . . 17685 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 17685 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Zuo1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21[pREP4] . . . . . . . . . . . . . . . pQE30 . . . . . . 17685 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 17685 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 mM Zuo1 (348-433) U-15N/13C, 20 mM sodium phosphate, 50 mM sodium chloride, 1 mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Zuo1 '[U-100% 13C; U-100% 15N]' . . 1 $Zuo1 . . 1.2 . . mM . . . . 17685 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17685 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17685 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17685 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17685 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17685 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 17685 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 . mM 17685 1 pH 6.5 . pH 17685 1 pressure 1 . atm 17685 1 temperature 283 . K 17685 1 stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 17685 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . 17685 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17685 1 stop_ save_ save_TopSpin _Software.Sf_category software _Software.Sf_framecode TopSpin _Software.Entry_ID 17685 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 17685 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17685 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 17685 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delagio,F. et al.' . . 17685 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17685 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17685 _Software.ID 4 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . 17685 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17685 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 17685 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C. Bartels' . . 17685 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17685 5 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 17685 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 17685 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 17685 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17685 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17685 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance II' . 600 . 1 $citations 17685 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17685 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17685 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17685 1 3 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17685 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17685 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17685 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17685 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17685 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17685 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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_15N-separated_NOESY . . . 17685 1 2 3D_13C-separated_NOESY . . . 17685 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 17685 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 21 21 GLY H H 1 8.144 0.02 . 1 . . . . 346 GLY H . 17685 1 2 . 1 1 21 21 GLY HA2 H 1 3.959 0.02 . 2 . . . . 346 GLY QA . 17685 1 3 . 1 1 21 21 GLY HA3 H 1 3.959 0.02 . 2 . . . . 346 GLY QA . 17685 1 4 . 1 1 21 21 GLY C C 13 174.966 0.1 . 1 . . . A 346 GLY C . 17685 1 5 . 1 1 21 21 GLY CA C 13 45.730 0.1 . 1 . . . A 346 GLY CA . 17685 1 6 . 1 1 21 21 GLY N N 15 109.416 0.1 . 1 . . . A 346 GLY N . 17685 1 7 . 1 1 22 22 SER H H 1 8.311 0.02 . 1 . . . A 347 SER H . 17685 1 8 . 1 1 22 22 SER HA H 1 4.355 0.02 . 1 . . . A 347 SER HA . 17685 1 9 . 1 1 22 22 SER HB2 H 1 4.000 0.02 . 2 . . . . 347 SER HB2 . 17685 1 10 . 1 1 22 22 SER HB3 H 1 3.901 0.02 . 2 . . . . 347 SER HB3 . 17685 1 11 . 1 1 22 22 SER C C 13 176.272 0.1 . 1 . . . A 347 SER C . 17685 1 12 . 1 1 22 22 SER CA C 13 59.651 0.1 . 1 . . . A 347 SER CA . 17685 1 13 . 1 1 22 22 SER CB C 13 63.231 0.1 . 1 . . . A 347 SER CB . 17685 1 14 . 1 1 22 22 SER N N 15 116.741 0.1 . 1 . . . A 347 SER N . 17685 1 15 . 1 1 23 23 LYS H H 1 8.611 0.02 . 1 . . . A 348 LYS H . 17685 1 16 . 1 1 23 23 LYS HA H 1 4.142 0.02 . 1 . . . A 348 LYS HA . 17685 1 17 . 1 1 23 23 LYS HB2 H 1 1.929 0.02 . 2 . . . . 348 LYS QB . 17685 1 18 . 1 1 23 23 LYS HB3 H 1 1.929 0.02 . 2 . . . . 348 LYS QB . 17685 1 19 . 1 1 23 23 LYS HG2 H 1 1.566 0.02 . 2 . . . . 348 LYS HG2 . 17685 1 20 . 1 1 23 23 LYS HG3 H 1 1.463 0.02 . 2 . . . . 348 LYS HG3 . 17685 1 21 . 1 1 23 23 LYS HD2 H 1 1.730 0.02 . 2 . . . . 348 LYS QD . 17685 1 22 . 1 1 23 23 LYS HD3 H 1 1.730 0.02 . 2 . . . . 348 LYS QD . 17685 1 23 . 1 1 23 23 LYS HE2 H 1 2.980 0.02 . 2 . . . . 348 LYS QE . 17685 1 24 . 1 1 23 23 LYS HE3 H 1 2.980 0.02 . 2 . . . . 348 LYS QE . 17685 1 25 . 1 1 23 23 LYS C C 13 178.743 0.1 . 1 . . . A 348 LYS C . 17685 1 26 . 1 1 23 23 LYS CA C 13 59.304 0.1 . 1 . . . A 348 LYS CA . 17685 1 27 . 1 1 23 23 LYS CB C 13 32.301 0.1 . 1 . . . A 348 LYS CB . 17685 1 28 . 1 1 23 23 LYS CG C 13 25.196 0.1 . 1 . . . A 348 LYS CG . 17685 1 29 . 1 1 23 23 LYS CD C 13 29.530 0.1 . 1 . . . A 348 LYS CD . 17685 1 30 . 1 1 23 23 LYS CE C 13 41.874 0.1 . 1 . . . A 348 LYS CE . 17685 1 31 . 1 1 23 23 LYS N N 15 124.398 0.1 . 1 . . . A 348 LYS N . 17685 1 32 . 1 1 24 24 ALA H H 1 8.245 0.02 . 1 . . . A 349 ALA H . 17685 1 33 . 1 1 24 24 ALA HA H 1 4.137 0.02 . 1 . . . A 349 ALA HA . 17685 1 34 . 1 1 24 24 ALA HB1 H 1 1.442 0.02 . 1 . . . . 349 ALA QB . 17685 1 35 . 1 1 24 24 ALA HB2 H 1 1.442 0.02 . 1 . . . . 349 ALA QB . 17685 1 36 . 1 1 24 24 ALA HB3 H 1 1.442 0.02 . 1 . . . . 349 ALA QB . 17685 1 37 . 1 1 24 24 ALA C C 13 179.869 0.1 . 1 . . . A 349 ALA C . 17685 1 38 . 1 1 24 24 ALA CA C 13 54.811 0.1 . 1 . . . A 349 ALA CA . 17685 1 39 . 1 1 24 24 ALA CB C 13 18.284 0.1 . 1 . . . A 349 ALA CB . 17685 1 40 . 1 1 24 24 ALA N N 15 122.494 0.1 . 1 . . . A 349 ALA N . 17685 1 41 . 1 1 25 25 ALA H H 1 8.014 0.02 . 1 . . . A 350 ALA H . 17685 1 42 . 1 1 25 25 ALA HA H 1 4.136 0.02 . 1 . . . A 350 ALA HA . 17685 1 43 . 1 1 25 25 ALA HB1 H 1 1.442 0.02 . 1 . . . . 350 ALA QB . 17685 1 44 . 1 1 25 25 ALA HB2 H 1 1.442 0.02 . 1 . . . . 350 ALA QB . 17685 1 45 . 1 1 25 25 ALA HB3 H 1 1.442 0.02 . 1 . . . . 350 ALA QB . 17685 1 46 . 1 1 25 25 ALA C C 13 178.743 0.1 . 1 . . . A 350 ALA C . 17685 1 47 . 1 1 25 25 ALA CA C 13 54.632 0.1 . 1 . . . A 350 ALA CA . 17685 1 48 . 1 1 25 25 ALA CB C 13 18.299 0.1 . 1 . . . A 350 ALA CB . 17685 1 49 . 1 1 25 25 ALA N N 15 121.576 0.1 . 1 . . . A 350 ALA N . 17685 1 50 . 1 1 26 26 LYS H H 1 7.831 0.02 . 1 . . . A 351 LYS H . 17685 1 51 . 1 1 26 26 LYS HA H 1 4.196 0.02 . 1 . . . A 351 LYS HA . 17685 1 52 . 1 1 26 26 LYS HB2 H 1 1.928 0.02 . 2 . . . . 351 LYS QB . 17685 1 53 . 1 1 26 26 LYS HB3 H 1 1.928 0.02 . 2 . . . . 351 LYS QB . 17685 1 54 . 1 1 26 26 LYS HG2 H 1 1.483 0.02 . 2 . . . . 351 LYS HG2 . 17685 1 55 . 1 1 26 26 LYS HG3 H 1 1.328 0.02 . 2 . . . . 351 LYS HG3 . 17685 1 56 . 1 1 26 26 LYS HD2 H 1 1.733 0.02 . 2 . . . . 351 LYS QD . 17685 1 57 . 1 1 26 26 LYS HD3 H 1 1.733 0.02 . 2 . . . . 351 LYS QD . 17685 1 58 . 1 1 26 26 LYS HE2 H 1 2.976 0.02 . 2 . . . . 351 LYS QE . 17685 1 59 . 1 1 26 26 LYS HE3 H 1 2.976 0.02 . 2 . . . . 351 LYS QE . 17685 1 60 . 1 1 26 26 LYS C C 13 178.485 0.1 . 1 . . . A 351 LYS C . 17685 1 61 . 1 1 26 26 LYS CA C 13 60.014 0.1 . 1 . . . A 351 LYS CA . 17685 1 62 . 1 1 26 26 LYS CB C 13 32.511 0.1 . 1 . . . A 351 LYS CB . 17685 1 63 . 1 1 26 26 LYS CG C 13 25.065 0.1 . 1 . . . A 351 LYS CG . 17685 1 64 . 1 1 26 26 LYS CD C 13 30.186 0.1 . 1 . . . A 351 LYS CD . 17685 1 65 . 1 1 26 26 LYS CE C 13 41.900 0.1 . 1 . . . A 351 LYS CE . 17685 1 66 . 1 1 26 26 LYS N N 15 119.618 0.1 . 1 . . . A 351 LYS N . 17685 1 67 . 1 1 27 27 LYS H H 1 7.905 0.02 . 1 . . . A 352 LYS H . 17685 1 68 . 1 1 27 27 LYS HA H 1 3.958 0.02 . 1 . . . A 352 LYS HA . 17685 1 69 . 1 1 27 27 LYS HB2 H 1 1.929 0.02 . 2 . . . . 352 LYS QB . 17685 1 70 . 1 1 27 27 LYS HB3 H 1 1.929 0.02 . 2 . . . . 352 LYS QB . 17685 1 71 . 1 1 27 27 LYS HG2 H 1 1.451 0.02 . 2 . . . . 352 LYS QG . 17685 1 72 . 1 1 27 27 LYS HG3 H 1 1.451 0.02 . 2 . . . . 352 LYS QG . 17685 1 73 . 1 1 27 27 LYS HD2 H 1 1.730 0.02 . 2 . . . . 352 LYS QD . 17685 1 74 . 1 1 27 27 LYS HD3 H 1 1.730 0.02 . 2 . . . . 352 LYS QD . 17685 1 75 . 1 1 27 27 LYS HE2 H 1 2.974 0.02 . 2 . . . . 352 LYS QE . 17685 1 76 . 1 1 27 27 LYS HE3 H 1 2.974 0.02 . 2 . . . . 352 LYS QE . 17685 1 77 . 1 1 27 27 LYS C C 13 179.564 0.1 . 1 . . . A 352 LYS C . 17685 1 78 . 1 1 27 27 LYS CA C 13 60.092 0.1 . 1 . . . A 352 LYS CA . 17685 1 79 . 1 1 27 27 LYS CB C 13 32.550 0.1 . 1 . . . A 352 LYS CB . 17685 1 80 . 1 1 27 27 LYS CG C 13 25.459 0.1 . 1 . . . A 352 LYS CG . 17685 1 81 . 1 1 27 27 LYS CD C 13 29.924 0.1 . 1 . . . A 352 LYS CD . 17685 1 82 . 1 1 27 27 LYS CE C 13 42.191 0.1 . 1 . . . A 352 LYS CE . 17685 1 83 . 1 1 27 27 LYS N N 15 118.080 0.1 . 1 . . . A 352 LYS N . 17685 1 84 . 1 1 28 28 LYS H H 1 7.934 0.02 . 1 . . . A 353 LYS H . 17685 1 85 . 1 1 28 28 LYS HA H 1 4.023 0.02 . 1 . . . A 353 LYS HA . 17685 1 86 . 1 1 28 28 LYS HB2 H 1 1.935 0.02 . 2 . . . . 353 LYS QB . 17685 1 87 . 1 1 28 28 LYS HB3 H 1 1.935 0.02 . 2 . . . . 353 LYS QB . 17685 1 88 . 1 1 28 28 LYS HG2 H 1 1.448 0.02 . 2 . . . . 353 LYS QG . 17685 1 89 . 1 1 28 28 LYS HG3 H 1 1.448 0.02 . 2 . . . . 353 LYS QG . 17685 1 90 . 1 1 28 28 LYS HD2 H 1 1.727 0.02 . 2 . . . . 353 LYS QD . 17685 1 91 . 1 1 28 28 LYS HD3 H 1 1.727 0.02 . 2 . . . . 353 LYS QD . 17685 1 92 . 1 1 28 28 LYS HE2 H 1 2.978 0.02 . 2 . . . . 353 LYS QE . 17685 1 93 . 1 1 28 28 LYS HE3 H 1 2.978 0.02 . 2 . . . . 353 LYS QE . 17685 1 94 . 1 1 28 28 LYS C C 13 179.270 0.1 . 1 . . . A 353 LYS C . 17685 1 95 . 1 1 28 28 LYS CA C 13 59.806 0.1 . 1 . . . A 353 LYS CA . 17685 1 96 . 1 1 28 28 LYS CB C 13 32.324 0.1 . 1 . . . A 353 LYS CB . 17685 1 97 . 1 1 28 28 LYS CG C 13 25.358 0.1 . 1 . . . A 353 LYS CG . 17685 1 98 . 1 1 28 28 LYS CD C 13 29.530 0.1 . 1 . . . A 353 LYS CD . 17685 1 99 . 1 1 28 28 LYS CE C 13 41.929 0.1 . 1 . . . A 353 LYS CE . 17685 1 100 . 1 1 28 28 LYS N N 15 119.878 0.1 . 1 . . . A 353 LYS N . 17685 1 101 . 1 1 29 29 ASN H H 1 8.524 0.02 . 1 . . . A 354 ASN H . 17685 1 102 . 1 1 29 29 ASN HA H 1 4.557 0.02 . 1 . . . A 354 ASN HA . 17685 1 103 . 1 1 29 29 ASN HB2 H 1 2.395 0.02 . 2 . . . . 354 ASN HB2 . 17685 1 104 . 1 1 29 29 ASN HB3 H 1 2.845 0.02 . 2 . . . . 354 ASN HB3 . 17685 1 105 . 1 1 29 29 ASN HD21 H 1 7.697 0.02 . 2 . . . . 354 ASN HD21 . 17685 1 106 . 1 1 29 29 ASN HD22 H 1 7.127 0.02 . 2 . . . . 354 ASN HD22 . 17685 1 107 . 1 1 29 29 ASN C C 13 177.395 0.1 . 1 . . . A 354 ASN C . 17685 1 108 . 1 1 29 29 ASN CA C 13 56.167 0.1 . 1 . . . A 354 ASN CA . 17685 1 109 . 1 1 29 29 ASN CB C 13 37.928 0.1 . 1 . . . A 354 ASN CB . 17685 1 110 . 1 1 29 29 ASN N N 15 119.780 0.1 . 1 . . . A 354 ASN N . 17685 1 111 . 1 1 29 29 ASN ND2 N 15 112.838 0.1 . 1 . . . A 354 ASN ND2 . 17685 1 112 . 1 1 30 30 LYS H H 1 8.599 0.02 . 1 . . . A 355 LYS H . 17685 1 113 . 1 1 30 30 LYS HA H 1 3.820 0.02 . 1 . . . A 355 LYS HA . 17685 1 114 . 1 1 30 30 LYS HB2 H 1 1.968 0.02 . 2 . . . . 355 LYS HB2 . 17685 1 115 . 1 1 30 30 LYS HB3 H 1 1.807 0.02 . 2 . . . . 355 LYS HB3 . 17685 1 116 . 1 1 30 30 LYS HG2 H 1 2.007 0.02 . 2 . . . . 355 LYS HG2 . 17685 1 117 . 1 1 30 30 LYS HG3 H 1 1.205 0.02 . 2 . . . . 355 LYS HG3 . 17685 1 118 . 1 1 30 30 LYS HD2 H 1 1.735 0.02 . 2 . . . . 355 LYS HD2 . 17685 1 119 . 1 1 30 30 LYS HD3 H 1 1.652 0.02 . 2 . . . . 355 LYS HD3 . 17685 1 120 . 1 1 30 30 LYS HE2 H 1 3.033 0.02 . 2 . . . . 355 LYS HE2 . 17685 1 121 . 1 1 30 30 LYS HE3 H 1 2.773 0.02 . 2 . . . . 355 LYS HE3 . 17685 1 122 . 1 1 30 30 LYS C C 13 178.266 0.1 . 1 . . . A 355 LYS C . 17685 1 123 . 1 1 30 30 LYS CA C 13 61.698 0.1 . 1 . . . A 355 LYS CA . 17685 1 124 . 1 1 30 30 LYS CB C 13 33.000 0.1 . 1 . . . A 355 LYS CB . 17685 1 125 . 1 1 30 30 LYS CG C 13 27.948 0.1 . 1 . . . A 355 LYS CG . 17685 1 126 . 1 1 30 30 LYS CD C 13 30.214 0.1 . 1 . . . A 355 LYS CD . 17685 1 127 . 1 1 30 30 LYS CE C 13 42.514 0.1 . 1 . . . A 355 LYS CE . 17685 1 128 . 1 1 30 30 LYS N N 15 118.850 0.1 . 1 . . . A 355 LYS N . 17685 1 129 . 1 1 31 31 ARG H H 1 7.809 0.02 . 1 . . . A 356 ARG H . 17685 1 130 . 1 1 31 31 ARG HA H 1 3.940 0.02 . 1 . . . A 356 ARG HA . 17685 1 131 . 1 1 31 31 ARG HB2 H 1 1.942 0.02 . 2 . . . . 356 ARG QB . 17685 1 132 . 1 1 31 31 ARG HB3 H 1 1.942 0.02 . 2 . . . . 356 ARG QB . 17685 1 133 . 1 1 31 31 ARG HG2 H 1 1.736 0.02 . 2 . . . . 356 ARG HG2 . 17685 1 134 . 1 1 31 31 ARG HG3 H 1 1.683 0.02 . 2 . . . . 356 ARG HG3 . 17685 1 135 . 1 1 31 31 ARG HD2 H 1 3.211 0.02 . 2 . . . . 356 ARG QD . 17685 1 136 . 1 1 31 31 ARG HD3 H 1 3.211 0.02 . 2 . . . . 356 ARG QD . 17685 1 137 . 1 1 31 31 ARG C C 13 177.676 0.1 . 1 . . . A 356 ARG C . 17685 1 138 . 1 1 31 31 ARG CA C 13 59.316 0.1 . 1 . . . A 356 ARG CA . 17685 1 139 . 1 1 31 31 ARG CB C 13 30.266 0.1 . 1 . . . A 356 ARG CB . 17685 1 140 . 1 1 31 31 ARG CG C 13 26.977 0.1 . 1 . . . A 356 ARG CG . 17685 1 141 . 1 1 31 31 ARG CD C 13 43.844 0.1 . 1 . . . A 356 ARG CD . 17685 1 142 . 1 1 31 31 ARG N N 15 118.226 0.1 . 1 . . . A 356 ARG N . 17685 1 143 . 1 1 32 32 ALA H H 1 8.155 0.02 . 1 . . . A 357 ALA H . 17685 1 144 . 1 1 32 32 ALA HA H 1 4.104 0.02 . 1 . . . A 357 ALA HA . 17685 1 145 . 1 1 32 32 ALA HB1 H 1 1.589 0.02 . 1 . . . . 357 ALA QB . 17685 1 146 . 1 1 32 32 ALA HB2 H 1 1.589 0.02 . 1 . . . . 357 ALA QB . 17685 1 147 . 1 1 32 32 ALA HB3 H 1 1.589 0.02 . 1 . . . . 357 ALA QB . 17685 1 148 . 1 1 32 32 ALA C C 13 181.157 0.1 . 1 . . . A 357 ALA C . 17685 1 149 . 1 1 32 32 ALA CA C 13 55.118 0.1 . 1 . . . A 357 ALA CA . 17685 1 150 . 1 1 32 32 ALA CB C 13 18.064 0.1 . 1 . . . A 357 ALA CB . 17685 1 151 . 1 1 32 32 ALA N N 15 120.780 0.1 . 1 . . . A 357 ALA N . 17685 1 152 . 1 1 33 33 ILE H H 1 7.929 0.02 . 1 . . . A 358 ILE H . 17685 1 153 . 1 1 33 33 ILE HA H 1 3.590 0.02 . 1 . . . A 358 ILE HA . 17685 1 154 . 1 1 33 33 ILE HB H 1 1.723 0.02 . 1 . . . A 358 ILE HB . 17685 1 155 . 1 1 33 33 ILE HG12 H 1 2.066 0.02 . 2 . . . . 358 ILE HG12 . 17685 1 156 . 1 1 33 33 ILE HG13 H 1 0.613 0.02 . 2 . . . . 358 ILE HG13 . 17685 1 157 . 1 1 33 33 ILE HG21 H 1 0.690 0.02 . 1 . . . . 358 ILE QG2 . 17685 1 158 . 1 1 33 33 ILE HG22 H 1 0.690 0.02 . 1 . . . . 358 ILE QG2 . 17685 1 159 . 1 1 33 33 ILE HG23 H 1 0.690 0.02 . 1 . . . . 358 ILE QG2 . 17685 1 160 . 1 1 33 33 ILE HD11 H 1 0.929 0.02 . 1 . . . . 358 ILE QD1 . 17685 1 161 . 1 1 33 33 ILE HD12 H 1 0.929 0.02 . 1 . . . . 358 ILE QD1 . 17685 1 162 . 1 1 33 33 ILE HD13 H 1 0.929 0.02 . 1 . . . . 358 ILE QD1 . 17685 1 163 . 1 1 33 33 ILE C C 13 179.458 0.1 . 1 . . . A 358 ILE C . 17685 1 164 . 1 1 33 33 ILE CA C 13 65.775 0.1 . 1 . . . A 358 ILE CA . 17685 1 165 . 1 1 33 33 ILE CB C 13 38.592 0.1 . 1 . . . A 358 ILE CB . 17685 1 166 . 1 1 33 33 ILE CG1 C 13 28.595 0.1 . 1 . . . A 358 ILE CG1 . 17685 1 167 . 1 1 33 33 ILE CG2 C 13 18.892 0.1 . 1 . . . A 358 ILE CG2 . 17685 1 168 . 1 1 33 33 ILE CD1 C 13 15.647 0.1 . 1 . . . A 358 ILE CD1 . 17685 1 169 . 1 1 33 33 ILE N N 15 116.468 0.1 . 1 . . . A 358 ILE N . 17685 1 170 . 1 1 34 34 ARG H H 1 8.672 0.02 . 1 . . . A 359 ARG H . 17685 1 171 . 1 1 34 34 ARG HA H 1 3.998 0.02 . 1 . . . A 359 ARG HA . 17685 1 172 . 1 1 34 34 ARG HB2 H 1 1.944 0.02 . 2 . . . . 359 ARG QB . 17685 1 173 . 1 1 34 34 ARG HB3 H 1 1.944 0.02 . 2 . . . . 359 ARG QB . 17685 1 174 . 1 1 34 34 ARG HG2 H 1 1.556 0.02 . 2 . . . . 359 ARG QG . 17685 1 175 . 1 1 34 34 ARG HG3 H 1 1.556 0.02 . 2 . . . . 359 ARG QG . 17685 1 176 . 1 1 34 34 ARG HD2 H 1 3.209 0.02 . 2 . . . . 359 ARG QD . 17685 1 177 . 1 1 34 34 ARG HD3 H 1 3.209 0.02 . 2 . . . . 359 ARG QD . 17685 1 178 . 1 1 34 34 ARG HE H 1 7.503 0.02 . 1 . . . A 359 ARG HE . 17685 1 179 . 1 1 34 34 ARG C C 13 179.124 0.1 . 1 . . . A 359 ARG C . 17685 1 180 . 1 1 34 34 ARG CA C 13 60.029 0.1 . 1 . . . A 359 ARG CA . 17685 1 181 . 1 1 34 34 ARG CB C 13 30.576 0.1 . 1 . . . A 359 ARG CB . 17685 1 182 . 1 1 34 34 ARG CG C 13 29.136 0.1 . 1 . . . A 359 ARG CG . 17685 1 183 . 1 1 34 34 ARG CD C 13 43.450 0.1 . 1 . . . A 359 ARG CD . 17685 1 184 . 1 1 34 34 ARG N N 15 119.937 0.1 . 1 . . . A 359 ARG N . 17685 1 185 . 1 1 34 34 ARG NE N 15 84.176 0.1 . 1 . . . A 359 ARG NE . 17685 1 186 . 1 1 35 35 ASN H H 1 8.454 0.02 . 1 . . . A 360 ASN H . 17685 1 187 . 1 1 35 35 ASN HA H 1 4.575 0.02 . 1 . . . A 360 ASN HA . 17685 1 188 . 1 1 35 35 ASN HB2 H 1 2.903 0.02 . 2 . . . . 360 ASN HB2 . 17685 1 189 . 1 1 35 35 ASN HB3 H 1 2.845 0.02 . 2 . . . . 360 ASN HB3 . 17685 1 190 . 1 1 35 35 ASN HD21 H 1 7.746 0.02 . 2 . . . . 360 ASN HD21 . 17685 1 191 . 1 1 35 35 ASN HD22 H 1 6.877 0.02 . 2 . . . . 360 ASN HD22 . 17685 1 192 . 1 1 35 35 ASN C C 13 175.723 0.1 . 1 . . . A 360 ASN C . 17685 1 193 . 1 1 35 35 ASN CA C 13 54.215 0.1 . 1 . . . A 360 ASN CA . 17685 1 194 . 1 1 35 35 ASN CB C 13 38.575 0.1 . 1 . . . A 360 ASN CB . 17685 1 195 . 1 1 35 35 ASN N N 15 116.359 0.1 . 1 . . . A 360 ASN N . 17685 1 196 . 1 1 35 35 ASN ND2 N 15 111.303 0.1 . 1 . . . A 360 ASN ND2 . 17685 1 197 . 1 1 36 36 SER H H 1 7.617 0.02 . 1 . . . A 361 SER H . 17685 1 198 . 1 1 36 36 SER HA H 1 3.995 0.02 . 1 . . . A 361 SER HA . 17685 1 199 . 1 1 36 36 SER HB2 H 1 4.196 0.02 . 2 . . . . 361 SER HB2 . 17685 1 200 . 1 1 36 36 SER HB3 H 1 3.907 0.02 . 2 . . . . 361 SER HB3 . 17685 1 201 . 1 1 36 36 SER HG H 1 5.183 0.02 . 1 . . . A 361 SER HG . 17685 1 202 . 1 1 36 36 SER C C 13 176.129 0.1 . 1 . . . A 361 SER C . 17685 1 203 . 1 1 36 36 SER CA C 13 62.349 0.1 . 1 . . . A 361 SER CA . 17685 1 204 . 1 1 36 36 SER CB C 13 63.664 0.1 . 1 . . . A 361 SER CB . 17685 1 205 . 1 1 36 36 SER N N 15 115.734 0.1 . 1 . . . A 361 SER N . 17685 1 206 . 1 1 37 37 ALA H H 1 6.868 0.02 . 1 . . . A 362 ALA H . 17685 1 207 . 1 1 37 37 ALA HA H 1 3.770 0.02 . 1 . . . A 362 ALA HA . 17685 1 208 . 1 1 37 37 ALA HB1 H 1 1.220 0.02 . . . . . . 362 ALA QB . 17685 1 209 . 1 1 37 37 ALA HB2 H 1 1.220 0.02 . . . . . . 362 ALA QB . 17685 1 210 . 1 1 37 37 ALA HB3 H 1 1.220 0.02 . . . . . . 362 ALA QB . 17685 1 211 . 1 1 37 37 ALA C C 13 178.482 0.1 . 1 . . . A 362 ALA C . 17685 1 212 . 1 1 37 37 ALA CA C 13 54.821 0.1 . 1 . . . A 362 ALA CA . 17685 1 213 . 1 1 37 37 ALA CB C 13 18.347 0.1 . 1 . . . A 362 ALA CB . 17685 1 214 . 1 1 37 37 ALA N N 15 124.421 0.1 . 1 . . . A 362 ALA N . 17685 1 215 . 1 1 38 38 LYS H H 1 8.317 0.02 . 1 . . . A 363 LYS H . 17685 1 216 . 1 1 38 38 LYS HA H 1 2.913 0.02 . 1 . . . A 363 LYS HA . 17685 1 217 . 1 1 38 38 LYS HB2 H 1 1.958 0.02 . 2 . . . . 363 LYS HB2 . 17685 1 218 . 1 1 38 38 LYS HB3 H 1 1.757 0.02 . 2 . . . . 363 LYS HB3 . 17685 1 219 . 1 1 38 38 LYS HG2 H 1 1.421 0.02 . 2 . . . . 363 LYS QG . 17685 1 220 . 1 1 38 38 LYS HG3 H 1 1.421 0.02 . 2 . . . . 363 LYS QG . 17685 1 221 . 1 1 38 38 LYS HD2 H 1 1.765 0.02 . 2 . . . . 363 LYS QD . 17685 1 222 . 1 1 38 38 LYS HD3 H 1 1.765 0.02 . 2 . . . . 363 LYS QD . 17685 1 223 . 1 1 38 38 LYS HE2 H 1 3.060 0.02 . 2 . . . . 363 LYS QE . 17685 1 224 . 1 1 38 38 LYS HE3 H 1 3.060 0.02 . 2 . . . . 363 LYS QE . 17685 1 225 . 1 1 38 38 LYS C C 13 180.669 0.1 . 1 . . . A 363 LYS C . 17685 1 226 . 1 1 38 38 LYS CA C 13 59.567 0.1 . 1 . . . A 363 LYS CA . 17685 1 227 . 1 1 38 38 LYS CB C 13 31.563 0.1 . 1 . . . A 363 LYS CB . 17685 1 228 . 1 1 38 38 LYS CG C 13 24.539 0.1 . 1 . . . A 363 LYS CG . 17685 1 229 . 1 1 38 38 LYS CD C 13 29.566 0.1 . 1 . . . A 363 LYS CD . 17685 1 230 . 1 1 38 38 LYS CE C 13 42.191 0.1 . 1 . . . A 363 LYS CE . 17685 1 231 . 1 1 38 38 LYS N N 15 122.319 0.1 . 1 . . . A 363 LYS N . 17685 1 232 . 1 1 39 39 GLU H H 1 7.935 0.02 . 1 . . . A 364 GLU H . 17685 1 233 . 1 1 39 39 GLU HA H 1 4.015 0.02 . 1 . . . A 364 GLU HA . 17685 1 234 . 1 1 39 39 GLU HB2 H 1 2.047 0.02 . 2 . . . . 364 GLU HB2 . 17685 1 235 . 1 1 39 39 GLU HB3 H 1 1.883 0.02 . 2 . . . . 364 GLU HB3 . 17685 1 236 . 1 1 39 39 GLU HG2 H 1 2.388 0.02 . 2 . . . . 364 GLU HG2 . 17685 1 237 . 1 1 39 39 GLU HG3 H 1 2.280 0.02 . 2 . . . . 364 GLU HG3 . 17685 1 238 . 1 1 39 39 GLU C C 13 176.609 0.1 . 1 . . . A 364 GLU C . 17685 1 239 . 1 1 39 39 GLU CA C 13 58.674 0.1 . 1 . . . A 364 GLU CA . 17685 1 240 . 1 1 39 39 GLU CB C 13 29.058 0.1 . 1 . . . A 364 GLU CB . 17685 1 241 . 1 1 39 39 GLU CG C 13 36.884 0.1 . 1 . . . A 364 GLU CG . 17685 1 242 . 1 1 39 39 GLU N N 15 118.666 0.1 . 1 . . . A 364 GLU N . 17685 1 243 . 1 1 40 40 ALA H H 1 7.049 0.02 . 1 . . . A 365 ALA H . 17685 1 244 . 1 1 40 40 ALA HA H 1 4.663 0.02 . 1 . . . A 365 ALA HA . 17685 1 245 . 1 1 40 40 ALA HB1 H 1 1.491 0.02 . 1 . . . . 365 ALA QB . 17685 1 246 . 1 1 40 40 ALA HB2 H 1 1.491 0.02 . 1 . . . . 365 ALA QB . 17685 1 247 . 1 1 40 40 ALA HB3 H 1 1.491 0.02 . 1 . . . . 365 ALA QB . 17685 1 248 . 1 1 40 40 ALA C C 13 177.688 0.1 . 1 . . . A 365 ALA C . 17685 1 249 . 1 1 40 40 ALA CA C 13 50.931 0.1 . 1 . . . A 365 ALA CA . 17685 1 250 . 1 1 40 40 ALA CB C 13 18.566 0.1 . 1 . . . A 365 ALA CB . 17685 1 251 . 1 1 40 40 ALA N N 15 121.145 0.1 . 1 . . . A 365 ALA N . 17685 1 252 . 1 1 41 41 ASP H H 1 8.099 0.02 . 1 . . . A 366 ASP H . 17685 1 253 . 1 1 41 41 ASP HA H 1 4.338 0.02 . 1 . . . A 366 ASP HA . 17685 1 254 . 1 1 41 41 ASP HB2 H 1 3.043 0.02 . 2 . . . . 366 ASP HB2 . 17685 1 255 . 1 1 41 41 ASP HB3 H 1 2.603 0.02 . 2 . . . . 366 ASP HB3 . 17685 1 256 . 1 1 41 41 ASP C C 13 175.644 0.1 . 1 . . . A 366 ASP C . 17685 1 257 . 1 1 41 41 ASP CA C 13 55.898 0.1 . 1 . . . A 366 ASP CA . 17685 1 258 . 1 1 41 41 ASP CB C 13 39.353 0.1 . 1 . . . A 366 ASP CB . 17685 1 259 . 1 1 41 41 ASP N N 15 121.103 0.1 . 1 . . . A 366 ASP N . 17685 1 260 . 1 1 42 42 TYR H H 1 8.364 0.02 . 1 . . . A 367 TYR H . 17685 1 261 . 1 1 42 42 TYR HA H 1 2.485 0.02 . 1 . . . A 367 TYR HA . 17685 1 262 . 1 1 42 42 TYR HB2 H 1 2.954 0.02 . 2 . . . . 367 TYR HB2 . 17685 1 263 . 1 1 42 42 TYR HB3 H 1 2.344 0.02 . 2 . . . . 367 TYR HB3 . 17685 1 264 . 1 1 42 42 TYR HD1 H 1 6.715 0.02 . 3 . . . . 367 TYR QD . 17685 1 265 . 1 1 42 42 TYR HD2 H 1 6.715 0.02 . 3 . . . . 367 TYR QD . 17685 1 266 . 1 1 42 42 TYR HE1 H 1 6.883 0.02 . 3 . . . . 367 TYR QE . 17685 1 267 . 1 1 42 42 TYR HE2 H 1 6.883 0.02 . 3 . . . . 367 TYR QE . 17685 1 268 . 1 1 42 42 TYR C C 13 174.307 0.1 . 1 . . . A 367 TYR C . 17685 1 269 . 1 1 42 42 TYR CA C 13 61.064 0.1 . 1 . . . A 367 TYR CA . 17685 1 270 . 1 1 42 42 TYR CB C 13 34.242 0.1 . 1 . . . A 367 TYR CB . 17685 1 271 . 1 1 42 42 TYR CD1 C 13 131.791 0.1 . 3 . . . A 367 TYR CD1 . 17685 1 272 . 1 1 42 42 TYR CE1 C 13 119.102 0.1 . 3 . . . A 367 TYR CE1 . 17685 1 273 . 1 1 42 42 TYR N N 15 110.700 0.1 . 1 . . . A 367 TYR N . 17685 1 274 . 1 1 43 43 PHE H H 1 7.666 0.02 . 1 . . . A 368 PHE H . 17685 1 275 . 1 1 43 43 PHE HA H 1 4.666 0.02 . 1 . . . A 368 PHE HA . 17685 1 276 . 1 1 43 43 PHE HB2 H 1 3.887 0.02 . 2 . . . . 368 PHE HB2 . 17685 1 277 . 1 1 43 43 PHE HB3 H 1 3.577 0.02 . 2 . . . . 368 PHE HB3 . 17685 1 278 . 1 1 43 43 PHE HD1 H 1 7.646 0.02 . 3 . . . . 368 PHE QD . 17685 1 279 . 1 1 43 43 PHE HD2 H 1 7.646 0.02 . 3 . . . . 368 PHE QD . 17685 1 280 . 1 1 43 43 PHE HE1 H 1 7.278 0.02 . 3 . . . . 368 PHE QE . 17685 1 281 . 1 1 43 43 PHE HE2 H 1 7.278 0.02 . 3 . . . . 368 PHE QE . 17685 1 282 . 1 1 43 43 PHE HZ H 1 6.967 0.02 . 1 . . . A 368 PHE HZ . 17685 1 283 . 1 1 43 43 PHE C C 13 177.162 0.1 . 1 . . . A 368 PHE C . 17685 1 284 . 1 1 43 43 PHE CA C 13 56.561 0.1 . 1 . . . A 368 PHE CA . 17685 1 285 . 1 1 43 43 PHE CB C 13 36.514 0.1 . 1 . . . A 368 PHE CB . 17685 1 286 . 1 1 43 43 PHE CD1 C 13 133.344 0.1 . 3 . . . A 368 PHE CD1 . 17685 1 287 . 1 1 43 43 PHE CE1 C 13 130.496 0.1 . 3 . . . A 368 PHE CE1 . 17685 1 288 . 1 1 43 43 PHE CZ C 13 127.906 0.1 . 1 . . . A 368 PHE CZ . 17685 1 289 . 1 1 43 43 PHE N N 15 111.305 0.1 . 1 . . . A 368 PHE N . 17685 1 290 . 1 1 44 44 GLY H H 1 7.671 0.02 . 1 . . . A 369 GLY H . 17685 1 291 . 1 1 44 44 GLY HA2 H 1 4.511 0.02 . 2 . . . . 369 GLY HA2 . 17685 1 292 . 1 1 44 44 GLY HA3 H 1 3.984 0.02 . 2 . . . . 369 GLY HA3 . 17685 1 293 . 1 1 44 44 GLY C C 13 174.446 0.1 . 1 . . . A 369 GLY C . 17685 1 294 . 1 1 44 44 GLY CA C 13 45.780 0.1 . 1 . . . A 369 GLY CA . 17685 1 295 . 1 1 44 44 GLY N N 15 106.300 0.1 . 1 . . . A 369 GLY N . 17685 1 296 . 1 1 45 45 ASP H H 1 8.331 0.02 . 1 . . . A 370 ASP H . 17685 1 297 . 1 1 45 45 ASP HA H 1 5.323 0.02 . 1 . . . A 370 ASP HA . 17685 1 298 . 1 1 45 45 ASP HB2 H 1 2.997 0.02 . 2 . . . . 370 ASP QB . 17685 1 299 . 1 1 45 45 ASP HB3 H 1 2.997 0.02 . 2 . . . . 370 ASP QB . 17685 1 300 . 1 1 45 45 ASP C C 13 176.360 0.1 . 1 . . . A 370 ASP C . 17685 1 301 . 1 1 45 45 ASP CA C 13 53.322 0.1 . 1 . . . A 370 ASP CA . 17685 1 302 . 1 1 45 45 ASP CB C 13 41.391 0.1 . 1 . . . A 370 ASP CB . 17685 1 303 . 1 1 45 45 ASP N N 15 122.876 0.1 . 1 . . . A 370 ASP N . 17685 1 304 . 1 1 46 46 ALA H H 1 8.282 0.02 . 1 . . . A 371 ALA H . 17685 1 305 . 1 1 46 46 ALA HA H 1 3.600 0.02 . 1 . . . A 371 ALA HA . 17685 1 306 . 1 1 46 46 ALA HB1 H 1 1.461 0.02 . 1 . . . . 371 ALA QB . 17685 1 307 . 1 1 46 46 ALA HB2 H 1 1.461 0.02 . 1 . . . . 371 ALA QB . 17685 1 308 . 1 1 46 46 ALA HB3 H 1 1.461 0.02 . 1 . . . . 371 ALA QB . 17685 1 309 . 1 1 46 46 ALA C C 13 179.111 0.1 . 1 . . . A 371 ALA C . 17685 1 310 . 1 1 46 46 ALA CA C 13 56.038 0.1 . 1 . . . A 371 ALA CA . 17685 1 311 . 1 1 46 46 ALA CB C 13 17.942 0.1 . 1 . . . A 371 ALA CB . 17685 1 312 . 1 1 46 46 ALA N N 15 121.771 0.1 . 1 . . . A 371 ALA N . 17685 1 313 . 1 1 47 47 ASP H H 1 9.068 0.02 . 1 . . . A 372 ASP H . 17685 1 314 . 1 1 47 47 ASP HA H 1 4.359 0.02 . 1 . . . A 372 ASP HA . 17685 1 315 . 1 1 47 47 ASP HB2 H 1 2.717 0.02 . 2 . . . . 372 ASP QB . 17685 1 316 . 1 1 47 47 ASP HB3 H 1 2.717 0.02 . 2 . . . . 372 ASP QB . 17685 1 317 . 1 1 47 47 ASP C C 13 177.019 0.1 . 1 . . . A 372 ASP C . 17685 1 318 . 1 1 47 47 ASP CA C 13 55.832 0.1 . 1 . . . A 372 ASP CA . 17685 1 319 . 1 1 47 47 ASP CB C 13 39.190 0.1 . 1 . . . A 372 ASP CB . 17685 1 320 . 1 1 47 47 ASP N N 15 116.273 0.1 . 1 . . . A 372 ASP N . 17685 1 321 . 1 1 48 48 LYS H H 1 8.050 0.02 . 1 . . . A 373 LYS H . 17685 1 322 . 1 1 48 48 LYS HA H 1 4.723 0.02 . 1 . . . A 373 LYS HA . 17685 1 323 . 1 1 48 48 LYS HB2 H 1 2.063 0.02 . 2 . . . . 373 LYS HB2 . 17685 1 324 . 1 1 48 48 LYS HB3 H 1 1.675 0.02 . 2 . . . . 373 LYS HB3 . 17685 1 325 . 1 1 48 48 LYS HG2 H 1 1.477 0.02 . 2 . . . . 373 LYS HG2 . 17685 1 326 . 1 1 48 48 LYS HG3 H 1 1.325 0.02 . 2 . . . . 373 LYS HG3 . 17685 1 327 . 1 1 48 48 LYS HD2 H 1 1.804 0.02 . 2 . . . . 373 LYS HD2 . 17685 1 328 . 1 1 48 48 LYS HD3 H 1 1.610 0.02 . 2 . . . . 373 LYS HD3 . 17685 1 329 . 1 1 48 48 LYS HE2 H 1 3.102 0.02 . 2 . . . . 373 LYS HE2 . 17685 1 330 . 1 1 48 48 LYS HE3 H 1 3.033 0.02 . 2 . . . . 373 LYS HE3 . 17685 1 331 . 1 1 48 48 LYS C C 13 175.542 0.1 . 1 . . . A 373 LYS C . 17685 1 332 . 1 1 48 48 LYS CA C 13 54.787 0.1 . 1 . . . A 373 LYS CA . 17685 1 333 . 1 1 48 48 LYS CB C 13 32.179 0.1 . 1 . . . A 373 LYS CB . 17685 1 334 . 1 1 48 48 LYS CG C 13 24.933 0.1 . 1 . . . A 373 LYS CG . 17685 1 335 . 1 1 48 48 LYS CD C 13 29.792 0.1 . 1 . . . A 373 LYS CD . 17685 1 336 . 1 1 48 48 LYS CE C 13 42.191 0.1 . 1 . . . A 373 LYS CE . 17685 1 337 . 1 1 48 48 LYS N N 15 120.180 0.1 . 1 . . . A 373 LYS N . 17685 1 338 . 1 1 49 49 ALA H H 1 7.045 0.02 . 1 . . . A 374 ALA H . 17685 1 339 . 1 1 49 49 ALA HA H 1 3.068 0.02 . 1 . . . A 374 ALA HA . 17685 1 340 . 1 1 49 49 ALA HB1 H 1 0.593 0.02 . 1 . . . . 374 ALA QB . 17685 1 341 . 1 1 49 49 ALA HB2 H 1 0.593 0.02 . 1 . . . . 374 ALA QB . 17685 1 342 . 1 1 49 49 ALA HB3 H 1 0.593 0.02 . 1 . . . . 374 ALA QB . 17685 1 343 . 1 1 49 49 ALA C C 13 177.781 0.1 . 1 . . . A 374 ALA C . 17685 1 344 . 1 1 49 49 ALA CA C 13 56.962 0.1 . 1 . . . A 374 ALA CA . 17685 1 345 . 1 1 49 49 ALA CB C 13 17.855 0.1 . 1 . . . A 374 ALA CB . 17685 1 346 . 1 1 49 49 ALA N N 15 122.498 0.1 . 1 . . . A 374 ALA N . 17685 1 347 . 1 1 50 50 THR H H 1 8.285 0.02 . 1 . . . A 375 THR H . 17685 1 348 . 1 1 50 50 THR HA H 1 4.044 0.02 . 1 . . . A 375 THR HA . 17685 1 349 . 1 1 50 50 THR HB H 1 4.142 0.02 . 1 . . . A 375 THR HB . 17685 1 350 . 1 1 50 50 THR HG21 H 1 1.266 0.02 . 1 . . . . 375 THR QG2 . 17685 1 351 . 1 1 50 50 THR HG22 H 1 1.266 0.02 . 1 . . . . 375 THR QG2 . 17685 1 352 . 1 1 50 50 THR HG23 H 1 1.266 0.02 . 1 . . . . 375 THR QG2 . 17685 1 353 . 1 1 50 50 THR C C 13 177.647 0.1 . 1 . . . A 375 THR C . 17685 1 354 . 1 1 50 50 THR CA C 13 66.201 0.1 . 1 . . . A 375 THR CA . 17685 1 355 . 1 1 50 50 THR CB C 13 68.334 0.1 . 1 . . . A 375 THR CB . 17685 1 356 . 1 1 50 50 THR CG2 C 13 22.121 0.1 . 1 . . . A 375 THR CG2 . 17685 1 357 . 1 1 50 50 THR N N 15 108.573 0.1 . 1 . . . A 375 THR N . 17685 1 358 . 1 1 51 51 THR H H 1 7.359 0.02 . 1 . . . A 376 THR H . 17685 1 359 . 1 1 51 51 THR HA H 1 4.147 0.02 . 1 . . . A 376 THR HA . 17685 1 360 . 1 1 51 51 THR HB H 1 4.186 0.02 . 1 . . . A 376 THR HB . 17685 1 361 . 1 1 51 51 THR HG21 H 1 1.269 0.02 . 1 . . . . 376 THR QG2 . 17685 1 362 . 1 1 51 51 THR HG22 H 1 1.269 0.02 . 1 . . . . 376 THR QG2 . 17685 1 363 . 1 1 51 51 THR HG23 H 1 1.269 0.02 . 1 . . . . 376 THR QG2 . 17685 1 364 . 1 1 51 51 THR C C 13 175.499 0.1 . 1 . . . A 376 THR C . 17685 1 365 . 1 1 51 51 THR CA C 13 66.145 0.1 . 1 . . . A 376 THR CA . 17685 1 366 . 1 1 51 51 THR CB C 13 69.382 0.1 . 1 . . . A 376 THR CB . 17685 1 367 . 1 1 51 51 THR CG2 C 13 21.474 0.1 . 1 . . . A 376 THR CG2 . 17685 1 368 . 1 1 51 51 THR N N 15 120.018 0.1 . 1 . . . A 376 THR N . 17685 1 369 . 1 1 52 52 ILE H H 1 8.346 0.02 . 1 . . . A 377 ILE H . 17685 1 370 . 1 1 52 52 ILE HA H 1 3.168 0.02 . 1 . . . A 377 ILE HA . 17685 1 371 . 1 1 52 52 ILE HB H 1 1.605 0.02 . 1 . . . A 377 ILE HB . 17685 1 372 . 1 1 52 52 ILE HG12 H 1 1.041 0.02 . 2 . . . . 377 ILE HG12 . 17685 1 373 . 1 1 52 52 ILE HG13 H 1 -0.728 0.02 . 2 . . . . 377 ILE HG13 . 17685 1 374 . 1 1 52 52 ILE HG21 H 1 0.949 0.02 . 2 . . . . 377 ILE QG2 . 17685 1 375 . 1 1 52 52 ILE HG22 H 1 0.949 0.02 . 2 . . . . 377 ILE QG2 . 17685 1 376 . 1 1 52 52 ILE HG23 H 1 0.949 0.02 . 2 . . . . 377 ILE QG2 . 17685 1 377 . 1 1 52 52 ILE HD11 H 1 0.590 0.02 . 1 . . . . 377 ILE QD1 . 17685 1 378 . 1 1 52 52 ILE HD12 H 1 0.590 0.02 . 1 . . . . 377 ILE QD1 . 17685 1 379 . 1 1 52 52 ILE HD13 H 1 0.590 0.02 . 1 . . . . 377 ILE QD1 . 17685 1 380 . 1 1 52 52 ILE C C 13 177.879 0.1 . 1 . . . A 377 ILE C . 17685 1 381 . 1 1 52 52 ILE CA C 13 67.070 0.1 . 1 . . . A 377 ILE CA . 17685 1 382 . 1 1 52 52 ILE CB C 13 38.257 0.1 . 1 . . . A 377 ILE CB . 17685 1 383 . 1 1 52 52 ILE CG1 C 13 28.272 0.1 . 1 . . . A 377 ILE CG1 . 17685 1 384 . 1 1 52 52 ILE CG2 C 13 17.589 0.1 . 1 . . . A 377 ILE CG2 . 17685 1 385 . 1 1 52 52 ILE CD1 C 13 15.971 0.1 . 1 . . . A 377 ILE CD1 . 17685 1 386 . 1 1 52 52 ILE N N 15 122.319 0.1 . 1 . . . A 377 ILE N . 17685 1 387 . 1 1 53 53 ASP H H 1 8.991 0.02 . 1 . . . A 378 ASP H . 17685 1 388 . 1 1 53 53 ASP HA H 1 4.739 0.02 . 1 . . . A 378 ASP HA . 17685 1 389 . 1 1 53 53 ASP HB2 H 1 2.798 0.02 . 2 . . . . 378 ASP HB2 . 17685 1 390 . 1 1 53 53 ASP HB3 H 1 2.701 0.02 . 2 . . . . 378 ASP HB3 . 17685 1 391 . 1 1 53 53 ASP C C 13 180.094 0.1 . 1 . . . A 378 ASP C . 17685 1 392 . 1 1 53 53 ASP CA C 13 58.044 0.1 . 1 . . . A 378 ASP CA . 17685 1 393 . 1 1 53 53 ASP CB C 13 39.648 0.1 . 1 . . . A 378 ASP CB . 17685 1 394 . 1 1 53 53 ASP N N 15 117.696 0.1 . 1 . . . A 378 ASP N . 17685 1 395 . 1 1 54 54 GLU H H 1 7.946 0.02 . 1 . . . A 379 GLU H . 17685 1 396 . 1 1 54 54 GLU HA H 1 4.174 0.02 . 1 . . . A 379 GLU HA . 17685 1 397 . 1 1 54 54 GLU HB2 H 1 2.361 0.02 . 2 . . . . 379 GLU QB . 17685 1 398 . 1 1 54 54 GLU HB3 H 1 2.361 0.02 . 2 . . . . 379 GLU QB . 17685 1 399 . 1 1 54 54 GLU HG2 H 1 2.363 0.02 . 2 . . . . 379 GLU QG . 17685 1 400 . 1 1 54 54 GLU HG3 H 1 2.363 0.02 . 2 . . . . 379 GLU QG . 17685 1 401 . 1 1 54 54 GLU C C 13 179.679 0.1 . 1 . . . A 379 GLU C . 17685 1 402 . 1 1 54 54 GLU CA C 13 59.572 0.1 . 1 . . . A 379 GLU CA . 17685 1 403 . 1 1 54 54 GLU CB C 13 29.324 0.1 . 1 . . . A 379 GLU CB . 17685 1 404 . 1 1 54 54 GLU CG C 13 34.126 0.1 . 1 . . . A 379 GLU CG . 17685 1 405 . 1 1 54 54 GLU N N 15 121.956 0.1 . 1 . . . A 379 GLU N . 17685 1 406 . 1 1 55 55 GLN H H 1 8.357 0.02 . 1 . . . A 380 GLN H . 17685 1 407 . 1 1 55 55 GLN HA H 1 4.171 0.02 . 1 . . . A 380 GLN HA . 17685 1 408 . 1 1 55 55 GLN HB2 H 1 2.361 0.02 . 2 . . . . 380 GLN QB . 17685 1 409 . 1 1 55 55 GLN HB3 H 1 2.361 0.02 . 2 . . . . 380 GLN QB . 17685 1 410 . 1 1 55 55 GLN HG2 H 1 2.450 0.02 . 2 . . . . 380 GLN HG2 . 17685 1 411 . 1 1 55 55 GLN HG3 H 1 2.377 0.02 . 2 . . . . 380 GLN HG3 . 17685 1 412 . 1 1 55 55 GLN HE21 H 1 7.257 0.02 . 2 . . . . 380 GLN HE21 . 17685 1 413 . 1 1 55 55 GLN HE22 H 1 6.526 0.02 . 2 . . . . 380 GLN HE22 . 17685 1 414 . 1 1 55 55 GLN C C 13 178.288 0.1 . 1 . . . A 380 GLN C . 17685 1 415 . 1 1 55 55 GLN CA C 13 59.994 0.1 . 1 . . . A 380 GLN CA . 17685 1 416 . 1 1 55 55 GLN CB C 13 29.566 0.1 . 1 . . . A 380 GLN CB . 17685 1 417 . 1 1 55 55 GLN CG C 13 35.717 0.1 . 1 . . . A 380 GLN CG . 17685 1 418 . 1 1 55 55 GLN N N 15 120.733 0.1 . 1 . . . A 380 GLN N . 17685 1 419 . 1 1 55 55 GLN NE2 N 15 106.719 0.1 . 1 . . . A 380 GLN NE2 . 17685 1 420 . 1 1 56 56 VAL H H 1 9.484 0.02 . 1 . . . A 381 VAL H . 17685 1 421 . 1 1 56 56 VAL HA H 1 3.536 0.02 . 1 . . . A 381 VAL HA . 17685 1 422 . 1 1 56 56 VAL HB H 1 2.549 0.02 . 1 . . . A 381 VAL HB . 17685 1 423 . 1 1 56 56 VAL HG11 H 1 1.354 0.02 . 2 . . . . 381 VAL QG1 . 17685 1 424 . 1 1 56 56 VAL HG12 H 1 1.354 0.02 . 2 . . . . 381 VAL QG1 . 17685 1 425 . 1 1 56 56 VAL HG13 H 1 1.354 0.02 . 2 . . . . 381 VAL QG1 . 17685 1 426 . 1 1 56 56 VAL HG21 H 1 1.024 0.02 . 2 . . . . 381 VAL QG2 . 17685 1 427 . 1 1 56 56 VAL HG22 H 1 1.024 0.02 . 2 . . . . 381 VAL QG2 . 17685 1 428 . 1 1 56 56 VAL HG23 H 1 1.024 0.02 . 2 . . . . 381 VAL QG2 . 17685 1 429 . 1 1 56 56 VAL C C 13 178.220 0.1 . 1 . . . A 381 VAL C . 17685 1 430 . 1 1 56 56 VAL CA C 13 67.557 0.1 . 1 . . . A 381 VAL CA . 17685 1 431 . 1 1 56 56 VAL CB C 13 31.349 0.1 . 1 . . . A 381 VAL CB . 17685 1 432 . 1 1 56 56 VAL CG1 C 13 25.358 0.1 . 2 . . . A 381 VAL CG1 . 17685 1 433 . 1 1 56 56 VAL CG2 C 13 24.063 0.1 . 2 . . . A 381 VAL CG2 . 17685 1 434 . 1 1 56 56 VAL N N 15 120.353 0.1 . 1 . . . A 381 VAL N . 17685 1 435 . 1 1 57 57 GLY H H 1 8.169 0.02 . 1 . . . A 382 GLY H . 17685 1 436 . 1 1 57 57 GLY HA2 H 1 3.911 0.02 . 2 . . . . 382 GLY HA2 . 17685 1 437 . 1 1 57 57 GLY HA3 H 1 3.641 0.02 . 2 . . . . 382 GLY HA3 . 17685 1 438 . 1 1 57 57 GLY C C 13 174.843 0.1 . 1 . . . A 382 GLY C . 17685 1 439 . 1 1 57 57 GLY CA C 13 47.694 0.1 . 1 . . . A 382 GLY CA . 17685 1 440 . 1 1 57 57 GLY N N 15 106.926 0.1 . 1 . . . A 382 GLY N . 17685 1 441 . 1 1 58 58 LEU H H 1 7.568 0.02 . 1 . . . A 383 LEU H . 17685 1 442 . 1 1 58 58 LEU HA H 1 4.151 0.02 . 1 . . . A 383 LEU HA . 17685 1 443 . 1 1 58 58 LEU HB2 H 1 2.147 0.02 . 2 . . . . 383 LEU HB2 . 17685 1 444 . 1 1 58 58 LEU HB3 H 1 1.393 0.02 . 2 . . . . 383 LEU HB3 . 17685 1 445 . 1 1 58 58 LEU HG H 1 1.919 0.02 . 1 . . . A 383 LEU HG . 17685 1 446 . 1 1 58 58 LEU HD11 H 1 1.061 0.02 . 2 . . . . 383 LEU QD1 . 17685 1 447 . 1 1 58 58 LEU HD12 H 1 1.061 0.02 . 2 . . . . 383 LEU QD1 . 17685 1 448 . 1 1 58 58 LEU HD13 H 1 1.061 0.02 . 2 . . . . 383 LEU QD1 . 17685 1 449 . 1 1 58 58 LEU HD21 H 1 0.984 0.02 . 2 . . . . 383 LEU QD2 . 17685 1 450 . 1 1 58 58 LEU HD22 H 1 0.984 0.02 . 2 . . . . 383 LEU QD2 . 17685 1 451 . 1 1 58 58 LEU HD23 H 1 0.984 0.02 . 2 . . . . 383 LEU QD2 . 17685 1 452 . 1 1 58 58 LEU C C 13 180.087 0.1 . 1 . . . A 383 LEU C . 17685 1 453 . 1 1 58 58 LEU CA C 13 57.974 0.1 . 1 . . . A 383 LEU CA . 17685 1 454 . 1 1 58 58 LEU CB C 13 42.125 0.1 . 1 . . . A 383 LEU CB . 17685 1 455 . 1 1 58 58 LEU CG C 13 26.640 0.1 . 1 . . . A 383 LEU CG . 17685 1 456 . 1 1 58 58 LEU CD1 C 13 26.653 0.1 . 2 . . . A 383 LEU CD1 . 17685 1 457 . 1 1 58 58 LEU CD2 C 13 23.100 0.1 . 2 . . . A 383 LEU CD2 . 17685 1 458 . 1 1 58 58 LEU N N 15 120.610 0.1 . 1 . . . A 383 LEU N . 17685 1 459 . 1 1 59 59 ILE H H 1 8.057 0.02 . 1 . . . A 384 ILE H . 17685 1 460 . 1 1 59 59 ILE HA H 1 3.416 0.02 . 1 . . . A 384 ILE HA . 17685 1 461 . 1 1 59 59 ILE HB H 1 2.047 0.02 . 1 . . . A 384 ILE HB . 17685 1 462 . 1 1 59 59 ILE HG12 H 1 0.484 0.02 . 2 . . . . 384 ILE HG12 . 17685 1 463 . 1 1 59 59 ILE HG13 H 1 1.993 0.02 . 2 . . . . 384 ILE HG13 . 17685 1 464 . 1 1 59 59 ILE HG21 H 1 0.663 0.02 . 1 . . . . 384 ILE QG2 . 17685 1 465 . 1 1 59 59 ILE HG22 H 1 0.663 0.02 . 1 . . . . 384 ILE QG2 . 17685 1 466 . 1 1 59 59 ILE HG23 H 1 0.663 0.02 . 1 . . . . 384 ILE QG2 . 17685 1 467 . 1 1 59 59 ILE HD11 H 1 0.391 0.02 . 1 . . . . 384 ILE QD1 . 17685 1 468 . 1 1 59 59 ILE HD12 H 1 0.391 0.02 . 1 . . . . 384 ILE QD1 . 17685 1 469 . 1 1 59 59 ILE HD13 H 1 0.391 0.02 . 1 . . . . 384 ILE QD1 . 17685 1 470 . 1 1 59 59 ILE C C 13 178.310 0.1 . 1 . . . A 384 ILE C . 17685 1 471 . 1 1 59 59 ILE CA C 13 66.069 0.1 . 1 . . . A 384 ILE CA . 17685 1 472 . 1 1 59 59 ILE CB C 13 38.233 0.1 . 1 . . . A 384 ILE CB . 17685 1 473 . 1 1 59 59 ILE CG1 C 13 30.214 0.1 . 1 . . . A 384 ILE CG1 . 17685 1 474 . 1 1 59 59 ILE CG2 C 13 15.971 0.1 . 1 . . . A 384 ILE CG2 . 17685 1 475 . 1 1 59 59 ILE CD1 C 13 14.352 0.1 . 1 . . . A 384 ILE CD1 . 17685 1 476 . 1 1 59 59 ILE N N 15 120.213 0.1 . 1 . . . A 384 ILE N . 17685 1 477 . 1 1 60 60 VAL H H 1 8.672 0.02 . 1 . . . A 385 VAL H . 17685 1 478 . 1 1 60 60 VAL HA H 1 3.560 0.02 . 1 . . . A 385 VAL HA . 17685 1 479 . 1 1 60 60 VAL HB H 1 2.238 0.02 . 1 . . . A 385 VAL HB . 17685 1 480 . 1 1 60 60 VAL HG11 H 1 1.065 0.02 . 2 . . . . 385 VAL QG1 . 17685 1 481 . 1 1 60 60 VAL HG12 H 1 1.065 0.02 . 2 . . . . 385 VAL QG1 . 17685 1 482 . 1 1 60 60 VAL HG13 H 1 1.065 0.02 . 2 . . . . 385 VAL QG1 . 17685 1 483 . 1 1 60 60 VAL HG21 H 1 1.105 0.02 . 2 . . . . 385 VAL QG2 . 17685 1 484 . 1 1 60 60 VAL HG22 H 1 1.105 0.02 . 2 . . . . 385 VAL QG2 . 17685 1 485 . 1 1 60 60 VAL HG23 H 1 1.105 0.02 . 2 . . . . 385 VAL QG2 . 17685 1 486 . 1 1 60 60 VAL C C 13 177.921 0.1 . 1 . . . A 385 VAL C . 17685 1 487 . 1 1 60 60 VAL CA C 13 66.702 0.1 . 1 . . . A 385 VAL CA . 17685 1 488 . 1 1 60 60 VAL CB C 13 31.565 0.1 . 1 . . . A 385 VAL CB . 17685 1 489 . 1 1 60 60 VAL CG1 C 13 22.445 0.1 . 2 . . . A 385 VAL CG1 . 17685 1 490 . 1 1 60 60 VAL CG2 C 13 23.226 0.1 . 2 . . . A 385 VAL CG2 . 17685 1 491 . 1 1 60 60 VAL N N 15 115.546 0.1 . 1 . . . A 385 VAL N . 17685 1 492 . 1 1 61 61 ASP H H 1 7.988 0.02 . 1 . . . A 386 ASP H . 17685 1 493 . 1 1 61 61 ASP HA H 1 4.571 0.02 . 1 . . . A 386 ASP HA . 17685 1 494 . 1 1 61 61 ASP HB2 H 1 2.801 0.02 . 2 . . . . 386 ASP QB . 17685 1 495 . 1 1 61 61 ASP HB3 H 1 2.801 0.02 . 2 . . . . 386 ASP QB . 17685 1 496 . 1 1 61 61 ASP C C 13 177.238 0.1 . 1 . . . A 386 ASP C . 17685 1 497 . 1 1 61 61 ASP CA C 13 56.184 0.1 . 1 . . . A 386 ASP CA . 17685 1 498 . 1 1 61 61 ASP CB C 13 40.632 0.1 . 1 . . . A 386 ASP CB . 17685 1 499 . 1 1 61 61 ASP N N 15 117.831 0.1 . 1 . . . A 386 ASP N . 17685 1 500 . 1 1 62 62 SER H H 1 7.755 0.02 . 1 . . . A 387 SER H . 17685 1 501 . 1 1 62 62 SER HA H 1 4.577 0.02 . 1 . . . A 387 SER HA . 17685 1 502 . 1 1 62 62 SER HB2 H 1 4.018 0.02 . 2 . . . . 387 SER HB2 . 17685 1 503 . 1 1 62 62 SER HB3 H 1 3.858 0.02 . 2 . . . . 387 SER HB3 . 17685 1 504 . 1 1 62 62 SER C C 13 173.645 0.1 . 1 . . . A 387 SER C . 17685 1 505 . 1 1 62 62 SER CA C 13 59.694 0.1 . 1 . . . A 387 SER CA . 17685 1 506 . 1 1 62 62 SER CB C 13 64.588 0.1 . 1 . . . A 387 SER CB . 17685 1 507 . 1 1 62 62 SER N N 15 114.761 0.1 . 1 . . . A 387 SER N . 17685 1 508 . 1 1 63 63 LEU H H 1 7.083 0.02 . 1 . . . A 388 LEU H . 17685 1 509 . 1 1 63 63 LEU HA H 1 4.506 0.02 . 1 . . . A 388 LEU HA . 17685 1 510 . 1 1 63 63 LEU HB2 H 1 1.759 0.02 . 2 . . . . 388 LEU HB2 . 17685 1 511 . 1 1 63 63 LEU HB3 H 1 1.475 0.02 . 2 . . . . 388 LEU HB3 . 17685 1 512 . 1 1 63 63 LEU HG H 1 2.296 0.02 . 1 . . . A 388 LEU HG . 17685 1 513 . 1 1 63 63 LEU HD11 H 1 0.747 0.02 . 2 . . . . 388 LEU QD1 . 17685 1 514 . 1 1 63 63 LEU HD12 H 1 0.747 0.02 . 2 . . . . 388 LEU QD1 . 17685 1 515 . 1 1 63 63 LEU HD13 H 1 0.747 0.02 . 2 . . . . 388 LEU QD1 . 17685 1 516 . 1 1 63 63 LEU HD21 H 1 0.705 0.02 . 2 . . . . 388 LEU QD2 . 17685 1 517 . 1 1 63 63 LEU HD22 H 1 0.705 0.02 . 2 . . . . 388 LEU QD2 . 17685 1 518 . 1 1 63 63 LEU HD23 H 1 0.705 0.02 . 2 . . . . 388 LEU QD2 . 17685 1 519 . 1 1 63 63 LEU C C 13 177.071 0.1 . 1 . . . A 388 LEU C . 17685 1 520 . 1 1 63 63 LEU CA C 13 54.490 0.1 . 1 . . . A 388 LEU CA . 17685 1 521 . 1 1 63 63 LEU CB C 13 42.414 0.1 . 1 . . . A 388 LEU CB . 17685 1 522 . 1 1 63 63 LEU CG C 13 25.358 0.1 . 1 . . . A 388 LEU CG . 17685 1 523 . 1 1 63 63 LEU CD1 C 13 26.006 0.1 . 2 . . . A 388 LEU CD1 . 17685 1 524 . 1 1 63 63 LEU CD2 C 13 22.121 0.1 . 2 . . . A 388 LEU CD2 . 17685 1 525 . 1 1 63 63 LEU N N 15 121.610 0.1 . 1 . . . A 388 LEU N . 17685 1 526 . 1 1 64 64 ASN H H 1 9.587 0.02 . 1 . . . A 389 ASN H . 17685 1 527 . 1 1 64 64 ASN HA H 1 4.748 0.02 . 1 . . . A 389 ASN HA . 17685 1 528 . 1 1 64 64 ASN HB2 H 1 3.398 0.02 . 2 . . . . 389 ASN HB2 . 17685 1 529 . 1 1 64 64 ASN HB3 H 1 2.919 0.02 . 2 . . . . 389 ASN HB3 . 17685 1 530 . 1 1 64 64 ASN HD21 H 1 7.432 0.02 . 2 . . . . 389 ASN HD21 . 17685 1 531 . 1 1 64 64 ASN HD22 H 1 7.007 0.02 . 2 . . . . 389 ASN HD22 . 17685 1 532 . 1 1 64 64 ASN C C 13 175.144 0.1 . 1 . . . A 389 ASN C . 17685 1 533 . 1 1 64 64 ASN CA C 13 51.898 0.1 . 1 . . . A 389 ASN CA . 17685 1 534 . 1 1 64 64 ASN CB C 13 37.762 0.1 . 1 . . . A 389 ASN CB . 17685 1 535 . 1 1 64 64 ASN N N 15 122.154 0.1 . 1 . . . A 389 ASN N . 17685 1 536 . 1 1 64 64 ASN ND2 N 15 111.000 0.1 . 1 . . . A 389 ASN ND2 . 17685 1 537 . 1 1 65 65 ASP H H 1 8.504 0.02 . 1 . . . A 390 ASP H . 17685 1 538 . 1 1 65 65 ASP HA H 1 4.288 0.02 . 1 . . . A 390 ASP HA . 17685 1 539 . 1 1 65 65 ASP HB2 H 1 2.651 0.02 . 2 . . . . 390 ASP QB . 17685 1 540 . 1 1 65 65 ASP HB3 H 1 2.651 0.02 . 2 . . . . 390 ASP QB . 17685 1 541 . 1 1 65 65 ASP C C 13 178.601 0.1 . 1 . . . A 390 ASP C . 17685 1 542 . 1 1 65 65 ASP CA C 13 58.992 0.1 . 1 . . . A 390 ASP CA . 17685 1 543 . 1 1 65 65 ASP CB C 13 40.168 0.1 . 1 . . . A 390 ASP CB . 17685 1 544 . 1 1 65 65 ASP N N 15 116.882 0.1 . 1 . . . A 390 ASP N . 17685 1 545 . 1 1 66 66 GLU H H 1 8.318 0.02 . 1 . . . A 391 GLU H . 17685 1 546 . 1 1 66 66 GLU HA H 1 4.048 0.02 . 1 . . . A 391 GLU HA . 17685 1 547 . 1 1 66 66 GLU HB2 H 1 2.138 0.02 . 2 . . . . 391 GLU QB . 17685 1 548 . 1 1 66 66 GLU HB3 H 1 2.138 0.02 . 2 . . . . 391 GLU QB . 17685 1 549 . 1 1 66 66 GLU HG2 H 1 2.330 0.02 . 2 . . . . 391 GLU QG . 17685 1 550 . 1 1 66 66 GLU HG3 H 1 2.330 0.02 . 2 . . . . 391 GLU QG . 17685 1 551 . 1 1 66 66 GLU C C 13 179.549 0.1 . 1 . . . A 391 GLU C . 17685 1 552 . 1 1 66 66 GLU CA C 13 59.943 0.1 . 1 . . . A 391 GLU CA . 17685 1 553 . 1 1 66 66 GLU CB C 13 29.119 0.1 . 1 . . . A 391 GLU CB . 17685 1 554 . 1 1 66 66 GLU CG C 13 36.884 0.1 . 1 . . . A 391 GLU CG . 17685 1 555 . 1 1 66 66 GLU N N 15 119.807 0.1 . 1 . . . A 391 GLU N . 17685 1 556 . 1 1 67 67 GLU H H 1 8.709 0.02 . 1 . . . A 392 GLU H . 17685 1 557 . 1 1 67 67 GLU HA H 1 4.151 0.02 . 1 . . . A 392 GLU HA . 17685 1 558 . 1 1 67 67 GLU HB2 H 1 2.266 0.02 . 2 . . . . 392 GLU HB2 . 17685 1 559 . 1 1 67 67 GLU HB3 H 1 1.952 0.02 . 2 . . . . 392 GLU HB3 . 17685 1 560 . 1 1 67 67 GLU HG2 H 1 2.540 0.02 . 2 . . . . 392 GLU QG . 17685 1 561 . 1 1 67 67 GLU HG3 H 1 2.540 0.02 . 2 . . . . 392 GLU QG . 17685 1 562 . 1 1 67 67 GLU C C 13 180.544 0.1 . 1 . . . A 392 GLU C . 17685 1 563 . 1 1 67 67 GLU CA C 13 58.307 0.1 . 1 . . . A 392 GLU CA . 17685 1 564 . 1 1 67 67 GLU CB C 13 30.933 0.1 . 1 . . . A 392 GLU CB . 17685 1 565 . 1 1 67 67 GLU CG C 13 36.621 0.1 . 1 . . . A 392 GLU CG . 17685 1 566 . 1 1 67 67 GLU N N 15 121.747 0.1 . 1 . . . A 392 GLU N . 17685 1 567 . 1 1 68 68 LEU H H 1 8.930 0.02 . 1 . . . A 393 LEU H . 17685 1 568 . 1 1 68 68 LEU HA H 1 3.923 0.02 . 1 . . . A 393 LEU HA . 17685 1 569 . 1 1 68 68 LEU HB2 H 1 2.091 0.02 . 2 . . . . 393 LEU HB2 . 17685 1 570 . 1 1 68 68 LEU HB3 H 1 1.477 0.02 . 2 . . . . 393 LEU HB3 . 17685 1 571 . 1 1 68 68 LEU HG H 1 1.719 0.02 . 1 . . . A 393 LEU HG . 17685 1 572 . 1 1 68 68 LEU HD11 H 1 1.033 0.02 . 2 . . . . 393 LEU QD1 . 17685 1 573 . 1 1 68 68 LEU HD12 H 1 1.033 0.02 . 2 . . . . 393 LEU QD1 . 17685 1 574 . 1 1 68 68 LEU HD13 H 1 1.033 0.02 . 2 . . . . 393 LEU QD1 . 17685 1 575 . 1 1 68 68 LEU HD21 H 1 0.998 0.02 . 2 . . . . 393 LEU QD2 . 17685 1 576 . 1 1 68 68 LEU HD22 H 1 0.998 0.02 . 2 . . . . 393 LEU QD2 . 17685 1 577 . 1 1 68 68 LEU HD23 H 1 0.998 0.02 . 2 . . . . 393 LEU QD2 . 17685 1 578 . 1 1 68 68 LEU C C 13 178.151 0.1 . 1 . . . A 393 LEU C . 17685 1 579 . 1 1 68 68 LEU CA C 13 58.642 0.1 . 1 . . . A 393 LEU CA . 17685 1 580 . 1 1 68 68 LEU CB C 13 42.304 0.1 . 1 . . . A 393 LEU CB . 17685 1 581 . 1 1 68 68 LEU CG C 13 26.977 0.1 . 1 . . . A 393 LEU CG . 17685 1 582 . 1 1 68 68 LEU CD1 C 13 25.628 0.1 . 2 . . . A 393 LEU CD1 . 17685 1 583 . 1 1 68 68 LEU CD2 C 13 26.247 0.1 . 2 . . . A 393 LEU CD2 . 17685 1 584 . 1 1 68 68 LEU N N 15 123.523 0.1 . 1 . . . A 393 LEU N . 17685 1 585 . 1 1 69 69 VAL H H 1 7.304 0.02 . 1 . . . A 394 VAL H . 17685 1 586 . 1 1 69 69 VAL HA H 1 3.527 0.02 . 1 . . . A 394 VAL HA . 17685 1 587 . 1 1 69 69 VAL HB H 1 2.163 0.02 . 1 . . . A 394 VAL HB . 17685 1 588 . 1 1 69 69 VAL HG11 H 1 1.100 0.02 . 2 . . . . 394 VAL QG1 . 17685 1 589 . 1 1 69 69 VAL HG12 H 1 1.100 0.02 . 2 . . . . 394 VAL QG1 . 17685 1 590 . 1 1 69 69 VAL HG13 H 1 1.100 0.02 . 2 . . . . 394 VAL QG1 . 17685 1 591 . 1 1 69 69 VAL HG21 H 1 0.963 0.02 . 2 . . . . 394 VAL QG2 . 17685 1 592 . 1 1 69 69 VAL HG22 H 1 0.963 0.02 . 2 . . . . 394 VAL QG2 . 17685 1 593 . 1 1 69 69 VAL HG23 H 1 0.963 0.02 . 2 . . . . 394 VAL QG2 . 17685 1 594 . 1 1 69 69 VAL C C 13 177.701 0.1 . 1 . . . A 394 VAL C . 17685 1 595 . 1 1 69 69 VAL CA C 13 66.494 0.1 . 1 . . . A 394 VAL CA . 17685 1 596 . 1 1 69 69 VAL CB C 13 32.103 0.1 . 1 . . . A 394 VAL CB . 17685 1 597 . 1 1 69 69 VAL CG1 C 13 22.769 0.1 . 2 . . . A 394 VAL CG1 . 17685 1 598 . 1 1 69 69 VAL CG2 C 13 21.150 0.1 . 2 . . . A 394 VAL CG2 . 17685 1 599 . 1 1 69 69 VAL N N 15 118.071 0.1 . 1 . . . A 394 VAL N . 17685 1 600 . 1 1 70 70 SER H H 1 7.906 0.02 . 1 . . . A 395 SER H . 17685 1 601 . 1 1 70 70 SER HA H 1 4.238 0.02 . 1 . . . A 395 SER HA . 17685 1 602 . 1 1 70 70 SER HB2 H 1 3.963 0.02 . 2 . . . . 395 SER QB . 17685 1 603 . 1 1 70 70 SER HB3 H 1 3.963 0.02 . 2 . . . . 395 SER QB . 17685 1 604 . 1 1 70 70 SER C C 13 177.618 0.1 . 1 . . . A 395 SER C . 17685 1 605 . 1 1 70 70 SER CA C 13 61.410 0.1 . 1 . . . A 395 SER CA . 17685 1 606 . 1 1 70 70 SER CB C 13 63.002 0.1 . 1 . . . A 395 SER CB . 17685 1 607 . 1 1 70 70 SER N N 15 112.686 0.1 . 1 . . . A 395 SER N . 17685 1 608 . 1 1 71 71 THR H H 1 8.511 0.02 . 1 . . . A 396 THR H . 17685 1 609 . 1 1 71 71 THR HA H 1 3.767 0.02 . 1 . . . A 396 THR HA . 17685 1 610 . 1 1 71 71 THR HB H 1 4.105 0.02 . 1 . . . A 396 THR HB . 17685 1 611 . 1 1 71 71 THR HG1 H 1 5.183 0.02 . 1 . . . . 396 THR HG1 . 17685 1 612 . 1 1 71 71 THR HG21 H 1 1.019 0.02 . 1 . . . . 396 THR QG2 . 17685 1 613 . 1 1 71 71 THR HG22 H 1 1.019 0.02 . 1 . . . . 396 THR QG2 . 17685 1 614 . 1 1 71 71 THR HG23 H 1 1.019 0.02 . 1 . . . . 396 THR QG2 . 17685 1 615 . 1 1 71 71 THR C C 13 175.404 0.1 . 1 . . . A 396 THR C . 17685 1 616 . 1 1 71 71 THR CA C 13 67.763 0.1 . 1 . . . A 396 THR CA . 17685 1 617 . 1 1 71 71 THR CB C 13 68.498 0.1 . 1 . . . A 396 THR CB . 17685 1 618 . 1 1 71 71 THR CG2 C 13 20.850 0.1 . 1 . . . A 396 THR CG2 . 17685 1 619 . 1 1 71 71 THR N N 15 118.003 0.1 . 1 . . . A 396 THR N . 17685 1 620 . 1 1 72 72 ALA H H 1 8.268 0.02 . 1 . . . A 397 ALA H . 17685 1 621 . 1 1 72 72 ALA HA H 1 3.857 0.02 . 1 . . . A 397 ALA HA . 17685 1 622 . 1 1 72 72 ALA HB1 H 1 1.477 0.02 . 1 . . . . 397 ALA QB . 17685 1 623 . 1 1 72 72 ALA HB2 H 1 1.477 0.02 . 1 . . . . 397 ALA QB . 17685 1 624 . 1 1 72 72 ALA HB3 H 1 1.477 0.02 . 1 . . . . 397 ALA QB . 17685 1 625 . 1 1 72 72 ALA C C 13 180.173 0.1 . 1 . . . A 397 ALA C . 17685 1 626 . 1 1 72 72 ALA CA C 13 56.079 0.1 . 1 . . . A 397 ALA CA . 17685 1 627 . 1 1 72 72 ALA CB C 13 17.767 0.1 . 1 . . . A 397 ALA CB . 17685 1 628 . 1 1 72 72 ALA N N 15 123.373 0.1 . 1 . . . A 397 ALA N . 17685 1 629 . 1 1 73 73 ASP H H 1 8.585 0.02 . 1 . . . A 398 ASP H . 17685 1 630 . 1 1 73 73 ASP HA H 1 4.382 0.02 . 1 . . . A 398 ASP HA . 17685 1 631 . 1 1 73 73 ASP HB2 H 1 2.887 0.02 . 2 . . . . 398 ASP HB2 . 17685 1 632 . 1 1 73 73 ASP HB3 H 1 2.602 0.02 . 2 . . . . 398 ASP HB3 . 17685 1 633 . 1 1 73 73 ASP C C 13 179.471 0.1 . 1 . . . A 398 ASP C . 17685 1 634 . 1 1 73 73 ASP CA C 13 57.692 0.1 . 1 . . . A 398 ASP CA . 17685 1 635 . 1 1 73 73 ASP CB C 13 40.015 0.1 . 1 . . . A 398 ASP CB . 17685 1 636 . 1 1 73 73 ASP N N 15 118.963 0.1 . 1 . . . A 398 ASP N . 17685 1 637 . 1 1 74 74 LYS H H 1 8.003 0.02 . 1 . . . A 399 LYS H . 17685 1 638 . 1 1 74 74 LYS HA H 1 4.050 0.02 . 1 . . . A 399 LYS HA . 17685 1 639 . 1 1 74 74 LYS HB2 H 1 1.997 0.02 . 2 . . . . 399 LYS HB2 . 17685 1 640 . 1 1 74 74 LYS HB3 H 1 1.893 0.02 . 2 . . . . 399 LYS HB3 . 17685 1 641 . 1 1 74 74 LYS HG2 H 1 1.805 0.02 . 2 . . . . 399 LYS HG2 . 17685 1 642 . 1 1 74 74 LYS HG3 H 1 1.454 0.02 . 2 . . . . 399 LYS HG3 . 17685 1 643 . 1 1 74 74 LYS HD2 H 1 1.738 0.02 . 2 . . . . 399 LYS HD2 . 17685 1 644 . 1 1 74 74 LYS HD3 H 1 1.642 0.02 . 2 . . . . 399 LYS HD3 . 17685 1 645 . 1 1 74 74 LYS HE2 H 1 2.928 0.02 . 2 . . . . 399 LYS QE . 17685 1 646 . 1 1 74 74 LYS HE3 H 1 2.928 0.02 . 2 . . . . 399 LYS QE . 17685 1 647 . 1 1 74 74 LYS C C 13 180.082 0.1 . 1 . . . A 399 LYS C . 17685 1 648 . 1 1 74 74 LYS CA C 13 60.001 0.1 . 1 . . . A 399 LYS CA . 17685 1 649 . 1 1 74 74 LYS CB C 13 34.080 0.1 . 1 . . . A 399 LYS CB . 17685 1 650 . 1 1 74 74 LYS CG C 13 26.640 0.1 . 1 . . . A 399 LYS CG . 17685 1 651 . 1 1 74 74 LYS CD C 13 30.186 0.1 . 1 . . . A 399 LYS CD . 17685 1 652 . 1 1 74 74 LYS CE C 13 42.191 0.1 . 1 . . . A 399 LYS CE . 17685 1 653 . 1 1 74 74 LYS N N 15 120.591 0.1 . 1 . . . A 399 LYS N . 17685 1 654 . 1 1 75 75 ILE H H 1 7.877 0.02 . 1 . . . A 400 ILE H . 17685 1 655 . 1 1 75 75 ILE HA H 1 3.687 0.02 . 1 . . . A 400 ILE HA . 17685 1 656 . 1 1 75 75 ILE HB H 1 1.910 0.02 . 1 . . . A 400 ILE HB . 17685 1 657 . 1 1 75 75 ILE HG12 H 1 1.045 0.02 . 2 . . . . 400 ILE HG12 . 17685 1 658 . 1 1 75 75 ILE HG13 H 1 1.938 0.02 . 2 . . . . 400 ILE HG13 . 17685 1 659 . 1 1 75 75 ILE HG21 H 1 0.975 0.02 . 1 . . . . 400 ILE QG2 . 17685 1 660 . 1 1 75 75 ILE HG22 H 1 0.975 0.02 . 1 . . . . 400 ILE QG2 . 17685 1 661 . 1 1 75 75 ILE HG23 H 1 0.975 0.02 . 1 . . . . 400 ILE QG2 . 17685 1 662 . 1 1 75 75 ILE HD11 H 1 0.906 0.02 . 1 . . . . 400 ILE QD1 . 17685 1 663 . 1 1 75 75 ILE HD12 H 1 0.906 0.02 . 1 . . . . 400 ILE QD1 . 17685 1 664 . 1 1 75 75 ILE HD13 H 1 0.906 0.02 . 1 . . . . 400 ILE QD1 . 17685 1 665 . 1 1 75 75 ILE C C 13 177.770 0.1 . 1 . . . A 400 ILE C . 17685 1 666 . 1 1 75 75 ILE CA C 13 64.860 0.1 . 1 . . . A 400 ILE CA . 17685 1 667 . 1 1 75 75 ILE CB C 13 38.253 0.1 . 1 . . . A 400 ILE CB . 17685 1 668 . 1 1 75 75 ILE CG1 C 13 30.449 0.1 . 1 . . . A 400 ILE CG1 . 17685 1 669 . 1 1 75 75 ILE CG2 C 13 17.448 0.1 . 1 . . . A 400 ILE CG2 . 17685 1 670 . 1 1 75 75 ILE CD1 C 13 14.029 0.1 . 1 . . . A 400 ILE CD1 . 17685 1 671 . 1 1 75 75 ILE N N 15 120.602 0.1 . 1 . . . A 400 ILE N . 17685 1 672 . 1 1 76 76 LYS H H 1 8.260 0.02 . 1 . . . A 401 LYS H . 17685 1 673 . 1 1 76 76 LYS HA H 1 4.032 0.02 . 1 . . . A 401 LYS HA . 17685 1 674 . 1 1 76 76 LYS HB2 H 1 1.940 0.02 . 2 . . . . 401 LYS QB . 17685 1 675 . 1 1 76 76 LYS HB3 H 1 1.940 0.02 . 2 . . . . 401 LYS QB . 17685 1 676 . 1 1 76 76 LYS HG2 H 1 1.530 0.02 . 2 . . . . 401 LYS QG . 17685 1 677 . 1 1 76 76 LYS HG3 H 1 1.530 0.02 . 2 . . . . 401 LYS QG . 17685 1 678 . 1 1 76 76 LYS HD2 H 1 1.733 0.02 . 2 . . . . 401 LYS QD . 17685 1 679 . 1 1 76 76 LYS HD3 H 1 1.733 0.02 . 2 . . . . 401 LYS QD . 17685 1 680 . 1 1 76 76 LYS HE2 H 1 2.984 0.02 . 2 . . . . 401 LYS QE . 17685 1 681 . 1 1 76 76 LYS HE3 H 1 2.984 0.02 . 2 . . . . 401 LYS QE . 17685 1 682 . 1 1 76 76 LYS C C 13 178.423 0.1 . 1 . . . A 401 LYS C . 17685 1 683 . 1 1 76 76 LYS CA C 13 58.735 0.1 . 1 . . . A 401 LYS CA . 17685 1 684 . 1 1 76 76 LYS CB C 13 32.325 0.1 . 1 . . . A 401 LYS CB . 17685 1 685 . 1 1 76 76 LYS CG C 13 25.065 0.1 . 1 . . . A 401 LYS CG . 17685 1 686 . 1 1 76 76 LYS CD C 13 29.530 0.1 . 1 . . . A 401 LYS CD . 17685 1 687 . 1 1 76 76 LYS CE C 13 42.191 0.1 . 1 . . . A 401 LYS CE . 17685 1 688 . 1 1 76 76 LYS N N 15 120.036 0.1 . 1 . . . A 401 LYS N . 17685 1 689 . 1 1 77 77 ALA H H 1 7.564 0.02 . 1 . . . A 402 ALA H . 17685 1 690 . 1 1 77 77 ALA HA H 1 4.205 0.02 . 1 . . . A 402 ALA HA . 17685 1 691 . 1 1 77 77 ALA HB1 H 1 1.477 0.02 . 1 . . . . 402 ALA QB . 17685 1 692 . 1 1 77 77 ALA HB2 H 1 1.477 0.02 . 1 . . . . 402 ALA QB . 17685 1 693 . 1 1 77 77 ALA HB3 H 1 1.477 0.02 . 1 . . . . 402 ALA QB . 17685 1 694 . 1 1 77 77 ALA C C 13 177.949 0.1 . 1 . . . A 402 ALA C . 17685 1 695 . 1 1 77 77 ALA CA C 13 53.673 0.1 . 1 . . . A 402 ALA CA . 17685 1 696 . 1 1 77 77 ALA CB C 13 19.018 0.1 . 1 . . . A 402 ALA CB . 17685 1 697 . 1 1 77 77 ALA N N 15 118.655 0.1 . 1 . . . A 402 ALA N . 17685 1 698 . 1 1 78 78 ASN H H 1 7.397 0.02 . 1 . . . A 403 ASN H . 17685 1 699 . 1 1 78 78 ASN HA H 1 4.841 0.02 . 1 . . . A 403 ASN HA . 17685 1 700 . 1 1 78 78 ASN HB2 H 1 2.841 0.02 . 2 . . . . 403 ASN QB . 17685 1 701 . 1 1 78 78 ASN HB3 H 1 2.841 0.02 . 2 . . . . 403 ASN QB . 17685 1 702 . 1 1 78 78 ASN HD21 H 1 7.711 0.02 . 2 . . . . 403 ASN HD21 . 17685 1 703 . 1 1 78 78 ASN HD22 H 1 7.032 0.02 . 2 . . . . 403 ASN HD22 . 17685 1 704 . 1 1 78 78 ASN C C 13 174.866 0.1 . 1 . . . A 403 ASN C . 17685 1 705 . 1 1 78 78 ASN CA C 13 52.485 0.1 . 1 . . . A 403 ASN CA . 17685 1 706 . 1 1 78 78 ASN CB C 13 37.659 0.1 . 1 . . . A 403 ASN CB . 17685 1 707 . 1 1 78 78 ASN N N 15 113.964 0.1 . 1 . . . A 403 ASN N . 17685 1 708 . 1 1 78 78 ASN ND2 N 15 111.131 0.1 . 1 . . . A 403 ASN ND2 . 17685 1 709 . 1 1 79 79 ALA H H 1 9.143 0.02 . 1 . . . A 404 ALA H . 17685 1 710 . 1 1 79 79 ALA HA H 1 4.160 0.02 . 1 . . . A 404 ALA HA . 17685 1 711 . 1 1 79 79 ALA HB1 H 1 1.519 0.02 . 1 . . . . 404 ALA QB . 17685 1 712 . 1 1 79 79 ALA HB2 H 1 1.519 0.02 . 1 . . . . 404 ALA QB . 17685 1 713 . 1 1 79 79 ALA HB3 H 1 1.519 0.02 . 1 . . . . 404 ALA QB . 17685 1 714 . 1 1 79 79 ALA C C 13 180.575 0.1 . 1 . . . A 404 ALA C . 17685 1 715 . 1 1 79 79 ALA CA C 13 56.271 0.1 . 1 . . . A 404 ALA CA . 17685 1 716 . 1 1 79 79 ALA CB C 13 18.357 0.1 . 1 . . . A 404 ALA CB . 17685 1 717 . 1 1 79 79 ALA N N 15 131.057 0.1 . 1 . . . A 404 ALA N . 17685 1 718 . 1 1 80 80 ALA H H 1 8.315 0.02 . 1 . . . A 405 ALA H . 17685 1 719 . 1 1 80 80 ALA HA H 1 4.362 0.02 . 1 . . . A 405 ALA HA . 17685 1 720 . 1 1 80 80 ALA HB1 H 1 1.543 0.02 . 1 . . . . 405 ALA QB . 17685 1 721 . 1 1 80 80 ALA HB2 H 1 1.543 0.02 . 1 . . . . 405 ALA QB . 17685 1 722 . 1 1 80 80 ALA HB3 H 1 1.543 0.02 . 1 . . . . 405 ALA QB . 17685 1 723 . 1 1 80 80 ALA C C 13 179.218 0.1 . 1 . . . A 405 ALA C . 17685 1 724 . 1 1 80 80 ALA CA C 13 53.931 0.1 . 1 . . . A 405 ALA CA . 17685 1 725 . 1 1 80 80 ALA CB C 13 18.226 0.1 . 1 . . . A 405 ALA CB . 17685 1 726 . 1 1 80 80 ALA N N 15 117.862 0.1 . 1 . . . A 405 ALA N . 17685 1 727 . 1 1 81 81 GLY H H 1 7.908 0.02 . 1 . . . A 406 GLY H . 17685 1 728 . 1 1 81 81 GLY HA2 H 1 4.617 0.02 . 2 . . . . 406 GLY HA2 . 17685 1 729 . 1 1 81 81 GLY HA3 H 1 3.731 0.02 . 2 . . . . 406 GLY HA3 . 17685 1 730 . 1 1 81 81 GLY C C 13 175.175 0.1 . 1 . . . A 406 GLY C . 17685 1 731 . 1 1 81 81 GLY CA C 13 45.363 0.1 . 1 . . . A 406 GLY CA . 17685 1 732 . 1 1 81 81 GLY N N 15 106.895 0.1 . 1 . . . A 406 GLY N . 17685 1 733 . 1 1 82 82 ALA H H 1 7.574 0.02 . 1 . . . A 407 ALA H . 17685 1 734 . 1 1 82 82 ALA HA H 1 3.971 0.02 . 1 . . . A 407 ALA HA . 17685 1 735 . 1 1 82 82 ALA HB1 H 1 1.702 0.02 . 1 . . . . 407 ALA QB . 17685 1 736 . 1 1 82 82 ALA HB2 H 1 1.702 0.02 . 1 . . . . 407 ALA QB . 17685 1 737 . 1 1 82 82 ALA HB3 H 1 1.702 0.02 . 1 . . . . 407 ALA QB . 17685 1 738 . 1 1 82 82 ALA C C 13 177.879 0.1 . 1 . . . A 407 ALA C . 17685 1 739 . 1 1 82 82 ALA CA C 13 56.076 0.1 . 1 . . . A 407 ALA CA . 17685 1 740 . 1 1 82 82 ALA CB C 13 19.120 0.1 . 1 . . . A 407 ALA CB . 17685 1 741 . 1 1 82 82 ALA N N 15 120.775 0.1 . 1 . . . A 407 ALA N . 17685 1 742 . 1 1 83 83 LYS H H 1 8.755 0.02 . 1 . . . A 408 LYS H . 17685 1 743 . 1 1 83 83 LYS HA H 1 3.352 0.02 . 1 . . . A 408 LYS HA . 17685 1 744 . 1 1 83 83 LYS HB2 H 1 0.612 0.02 . 2 . . . . 408 LYS HB2 . 17685 1 745 . 1 1 83 83 LYS HB3 H 1 1.491 0.02 . 2 . . . . 408 LYS HB3 . 17685 1 746 . 1 1 83 83 LYS HG2 H 1 1.159 0.02 . 2 . . . . 408 LYS HG2 . 17685 1 747 . 1 1 83 83 LYS HG3 H 1 0.670 0.02 . 2 . . . . 408 LYS HG3 . 17685 1 748 . 1 1 83 83 LYS HD2 H 1 1.536 0.02 . 2 . . . . 408 LYS HD2 . 17685 1 749 . 1 1 83 83 LYS HD3 H 1 1.460 0.02 . 2 . . . . 408 LYS HD3 . 17685 1 750 . 1 1 83 83 LYS HE2 H 1 2.681 0.02 . 2 . . . . 408 LYS QE . 17685 1 751 . 1 1 83 83 LYS HE3 H 1 2.681 0.02 . 2 . . . . 408 LYS QE . 17685 1 752 . 1 1 83 83 LYS C C 13 178.064 0.1 . 1 . . . A 408 LYS C . 17685 1 753 . 1 1 83 83 LYS CA C 13 61.404 0.1 . 1 . . . A 408 LYS CA . 17685 1 754 . 1 1 83 83 LYS CB C 13 31.311 0.1 . 1 . . . A 408 LYS CB . 17685 1 755 . 1 1 83 83 LYS CG C 13 26.329 0.1 . 1 . . . A 408 LYS CG . 17685 1 756 . 1 1 83 83 LYS CD C 13 29.890 0.1 . 1 . . . A 408 LYS CD . 17685 1 757 . 1 1 83 83 LYS CE C 13 42.514 0.1 . 1 . . . A 408 LYS CE . 17685 1 758 . 1 1 83 83 LYS N N 15 117.628 0.1 . 1 . . . A 408 LYS N . 17685 1 759 . 1 1 84 84 GLU H H 1 7.708 0.02 . 1 . . . A 409 GLU H . 17685 1 760 . 1 1 84 84 GLU HA H 1 3.994 0.02 . 1 . . . A 409 GLU HA . 17685 1 761 . 1 1 84 84 GLU HB2 H 1 2.145 0.02 . 2 . . . . 409 GLU QB . 17685 1 762 . 1 1 84 84 GLU HB3 H 1 2.145 0.02 . 2 . . . . 409 GLU QB . 17685 1 763 . 1 1 84 84 GLU HG2 H 1 2.382 0.02 . 2 . . . . 409 GLU QG . 17685 1 764 . 1 1 84 84 GLU HG3 H 1 2.382 0.02 . 2 . . . . 409 GLU QG . 17685 1 765 . 1 1 84 84 GLU C C 13 179.508 0.1 . 1 . . . A 409 GLU C . 17685 1 766 . 1 1 84 84 GLU CA C 13 59.300 0.1 . 1 . . . A 409 GLU CA . 17685 1 767 . 1 1 84 84 GLU CB C 13 28.978 0.1 . 1 . . . A 409 GLU CB . 17685 1 768 . 1 1 84 84 GLU CG C 13 36.490 0.1 . 1 . . . A 409 GLU CG . 17685 1 769 . 1 1 84 84 GLU N N 15 116.005 0.1 . 1 . . . A 409 GLU N . 17685 1 770 . 1 1 85 85 VAL H H 1 7.494 0.02 . 1 . . . A 410 VAL H . 17685 1 771 . 1 1 85 85 VAL HA H 1 3.786 0.02 . 1 . . . A 410 VAL HA . 17685 1 772 . 1 1 85 85 VAL HB H 1 2.130 0.02 . 1 . . . A 410 VAL HB . 17685 1 773 . 1 1 85 85 VAL HG11 H 1 1.051 0.02 . 2 . . . . 410 VAL QG1 . 17685 1 774 . 1 1 85 85 VAL HG12 H 1 1.051 0.02 . 2 . . . . 410 VAL QG1 . 17685 1 775 . 1 1 85 85 VAL HG13 H 1 1.051 0.02 . 2 . . . . 410 VAL QG1 . 17685 1 776 . 1 1 85 85 VAL HG21 H 1 1.007 0.02 . 2 . . . . 410 VAL QG2 . 17685 1 777 . 1 1 85 85 VAL HG22 H 1 1.007 0.02 . 2 . . . . 410 VAL QG2 . 17685 1 778 . 1 1 85 85 VAL HG23 H 1 1.007 0.02 . 2 . . . . 410 VAL QG2 . 17685 1 779 . 1 1 85 85 VAL C C 13 179.087 0.1 . 1 . . . A 410 VAL C . 17685 1 780 . 1 1 85 85 VAL CA C 13 66.066 0.1 . 1 . . . A 410 VAL CA . 17685 1 781 . 1 1 85 85 VAL CB C 13 32.060 0.1 . 1 . . . A 410 VAL CB . 17685 1 782 . 1 1 85 85 VAL CG1 C 13 22.445 0.1 . 2 . . . A 410 VAL CG1 . 17685 1 783 . 1 1 85 85 VAL CG2 C 13 22.769 0.1 . 2 . . . A 410 VAL CG2 . 17685 1 784 . 1 1 85 85 VAL N N 15 120.216 0.1 . 1 . . . A 410 VAL N . 17685 1 785 . 1 1 86 86 LEU H H 1 8.371 0.02 . 1 . . . A 411 LEU H . 17685 1 786 . 1 1 86 86 LEU HA H 1 3.871 0.02 . 1 . . . A 411 LEU HA . 17685 1 787 . 1 1 86 86 LEU HB2 H 1 1.917 0.02 . 2 . . . . 411 LEU HB2 . 17685 1 788 . 1 1 86 86 LEU HB3 H 1 0.610 0.02 . 2 . . . . 411 LEU HB3 . 17685 1 789 . 1 1 86 86 LEU HG H 1 1.784 0.02 . 1 . . . A 411 LEU HG . 17685 1 790 . 1 1 86 86 LEU HD11 H 1 0.640 0.02 . 2 . . . . 411 LEU QD1 . 17685 1 791 . 1 1 86 86 LEU HD12 H 1 0.640 0.02 . 2 . . . . 411 LEU QD1 . 17685 1 792 . 1 1 86 86 LEU HD13 H 1 0.640 0.02 . 2 . . . . 411 LEU QD1 . 17685 1 793 . 1 1 86 86 LEU HD21 H 1 1.007 0.02 . 2 . . . . 411 LEU QD2 . 17685 1 794 . 1 1 86 86 LEU HD22 H 1 1.007 0.02 . 2 . . . . 411 LEU QD2 . 17685 1 795 . 1 1 86 86 LEU HD23 H 1 1.007 0.02 . 2 . . . . 411 LEU QD2 . 17685 1 796 . 1 1 86 86 LEU C C 13 178.844 0.1 . 1 . . . A 411 LEU C . 17685 1 797 . 1 1 86 86 LEU CA C 13 58.100 0.1 . 1 . . . A 411 LEU CA . 17685 1 798 . 1 1 86 86 LEU CB C 13 42.047 0.1 . 1 . . . A 411 LEU CB . 17685 1 799 . 1 1 86 86 LEU CG C 13 27.624 0.1 . 1 . . . A 411 LEU CG . 17685 1 800 . 1 1 86 86 LEU CD1 C 13 22.175 0.1 . 2 . . . A 411 LEU CD1 . 17685 1 801 . 1 1 86 86 LEU CD2 C 13 25.590 0.1 . 2 . . . A 411 LEU CD2 . 17685 1 802 . 1 1 86 86 LEU N N 15 121.293 0.1 . 1 . . . A 411 LEU N . 17685 1 803 . 1 1 87 87 LYS H H 1 8.818 0.02 . 1 . . . A 412 LYS H . 17685 1 804 . 1 1 87 87 LYS HA H 1 4.206 0.02 . 1 . . . A 412 LYS HA . 17685 1 805 . 1 1 87 87 LYS HB2 H 1 1.950 0.02 . 2 . . . . 412 LYS HB2 . 17685 1 806 . 1 1 87 87 LYS HB3 H 1 2.010 0.02 . 2 . . . . 412 LYS HB3 . 17685 1 807 . 1 1 87 87 LYS HG2 H 1 2.094 0.02 . 2 . . . . 412 LYS HG2 . 17685 1 808 . 1 1 87 87 LYS HG3 H 1 1.868 0.02 . 2 . . . . 412 LYS HG3 . 17685 1 809 . 1 1 87 87 LYS HD2 H 1 1.682 0.02 . 2 . . . . 412 LYS HD2 . 17685 1 810 . 1 1 87 87 LYS HD3 H 1 1.642 0.02 . 2 . . . . 412 LYS HD3 . 17685 1 811 . 1 1 87 87 LYS HE2 H 1 3.010 0.02 . 2 . . . . 412 LYS HE2 . 17685 1 812 . 1 1 87 87 LYS HE3 H 1 2.898 0.02 . 2 . . . . 412 LYS HE3 . 17685 1 813 . 1 1 87 87 LYS C C 13 179.347 0.1 . 1 . . . A 412 LYS C . 17685 1 814 . 1 1 87 87 LYS CA C 13 60.924 0.1 . 1 . . . A 412 LYS CA . 17685 1 815 . 1 1 87 87 LYS CB C 13 32.216 0.1 . 1 . . . A 412 LYS CB . 17685 1 816 . 1 1 87 87 LYS CG C 13 25.590 0.1 . 1 . . . A 412 LYS CG . 17685 1 817 . 1 1 87 87 LYS CD C 13 29.500 0.1 . 1 . . . A 412 LYS CD . 17685 1 818 . 1 1 87 87 LYS CE C 13 41.200 0.1 . 1 . . . A 412 LYS CE . 17685 1 819 . 1 1 87 87 LYS N N 15 119.536 0.1 . 1 . . . A 412 LYS N . 17685 1 820 . 1 1 88 88 GLU H H 1 7.882 0.02 . 1 . . . A 413 GLU H . 17685 1 821 . 1 1 88 88 GLU HA H 1 4.127 0.02 . 1 . . . A 413 GLU HA . 17685 1 822 . 1 1 88 88 GLU HB2 H 1 2.233 0.02 . 2 . . . . 413 GLU QB . 17685 1 823 . 1 1 88 88 GLU HB3 H 1 2.233 0.02 . 2 . . . . 413 GLU QB . 17685 1 824 . 1 1 88 88 GLU HG2 H 1 2.454 0.02 . 2 . . . . 413 GLU HG2 . 17685 1 825 . 1 1 88 88 GLU HG3 H 1 2.378 0.02 . 2 . . . . 413 GLU HG3 . 17685 1 826 . 1 1 88 88 GLU C C 13 179.469 0.1 . 1 . . . A 413 GLU C . 17685 1 827 . 1 1 88 88 GLU CA C 13 59.720 0.1 . 1 . . . A 413 GLU CA . 17685 1 828 . 1 1 88 88 GLU CB C 13 29.021 0.1 . 1 . . . A 413 GLU CB . 17685 1 829 . 1 1 88 88 GLU CG C 13 36.096 0.1 . 1 . . . A 413 GLU CG . 17685 1 830 . 1 1 88 88 GLU N N 15 120.780 0.1 . 1 . . . A 413 GLU N . 17685 1 831 . 1 1 89 89 SER H H 1 8.296 0.02 . 1 . . . A 414 SER H . 17685 1 832 . 1 1 89 89 SER HA H 1 3.765 0.02 . 1 . . . A 414 SER HA . 17685 1 833 . 1 1 89 89 SER HB2 H 1 3.766 0.02 . 2 . . . . 414 SER QB . 17685 1 834 . 1 1 89 89 SER HB3 H 1 3.766 0.02 . 2 . . . . 414 SER QB . 17685 1 835 . 1 1 89 89 SER C C 13 176.091 0.1 . 1 . . . A 414 SER C . 17685 1 836 . 1 1 89 89 SER CA C 13 63.550 0.1 . 1 . . . A 414 SER CA . 17685 1 837 . 1 1 89 89 SER CB C 13 63.718 0.1 . 1 . . . A 414 SER CB . 17685 1 838 . 1 1 89 89 SER N N 15 116.823 0.1 . 1 . . . A 414 SER N . 17685 1 839 . 1 1 90 90 ALA H H 1 8.805 0.02 . 1 . . . A 415 ALA H . 17685 1 840 . 1 1 90 90 ALA HA H 1 3.831 0.02 . 1 . . . A 415 ALA HA . 17685 1 841 . 1 1 90 90 ALA HB1 H 1 1.463 0.02 . 2 . . . . 415 ALA QB . 17685 1 842 . 1 1 90 90 ALA HB2 H 1 1.463 0.02 . 2 . . . . 415 ALA QB . 17685 1 843 . 1 1 90 90 ALA HB3 H 1 1.463 0.02 . 2 . . . . 415 ALA QB . 17685 1 844 . 1 1 90 90 ALA C C 13 177.963 0.1 . 1 . . . A 415 ALA C . 17685 1 845 . 1 1 90 90 ALA CA C 13 55.415 0.1 . 1 . . . A 415 ALA CA . 17685 1 846 . 1 1 90 90 ALA CB C 13 19.432 0.1 . 1 . . . A 415 ALA CB . 17685 1 847 . 1 1 90 90 ALA N N 15 123.230 0.1 . 1 . . . A 415 ALA N . 17685 1 848 . 1 1 91 91 LYS H H 1 8.085 0.02 . 1 . . . A 416 LYS H . 17685 1 849 . 1 1 91 91 LYS HA H 1 3.972 0.02 . 1 . . . A 416 LYS HA . 17685 1 850 . 1 1 91 91 LYS HB2 H 1 2.132 0.02 . 2 . . . . 416 LYS HB2 . 17685 1 851 . 1 1 91 91 LYS HB3 H 1 1.941 0.02 . 2 . . . . 416 LYS HB3 . 17685 1 852 . 1 1 91 91 LYS HG2 H 1 1.572 0.02 . 2 . . . . 416 LYS QG . 17685 1 853 . 1 1 91 91 LYS HG3 H 1 1.572 0.02 . 2 . . . . 416 LYS QG . 17685 1 854 . 1 1 91 91 LYS HD2 H 1 1.729 0.02 . 2 . . . . 416 LYS QD . 17685 1 855 . 1 1 91 91 LYS HD3 H 1 1.729 0.02 . 2 . . . . 416 LYS QD . 17685 1 856 . 1 1 91 91 LYS HE2 H 1 3.055 0.02 . 2 . . . . 416 LYS QE . 17685 1 857 . 1 1 91 91 LYS HE3 H 1 3.055 0.02 . 2 . . . . 416 LYS QE . 17685 1 858 . 1 1 91 91 LYS C C 13 178.198 0.1 . 1 . . . A 416 LYS C . 17685 1 859 . 1 1 91 91 LYS CA C 13 59.817 0.1 . 1 . . . A 416 LYS CA . 17685 1 860 . 1 1 91 91 LYS CB C 13 32.247 0.1 . 1 . . . A 416 LYS CB . 17685 1 861 . 1 1 91 91 LYS CG C 13 24.933 0.1 . 1 . . . A 416 LYS CG . 17685 1 862 . 1 1 91 91 LYS CD C 13 29.136 0.1 . 1 . . . A 416 LYS CD . 17685 1 863 . 1 1 91 91 LYS CE C 13 42.514 0.1 . 1 . . . A 416 LYS CE . 17685 1 864 . 1 1 91 91 LYS N N 15 117.753 0.1 . 1 . . . A 416 LYS N . 17685 1 865 . 1 1 92 92 THR H H 1 7.923 0.02 . 1 . . . A 417 THR H . 17685 1 866 . 1 1 92 92 THR HA H 1 4.075 0.02 . 1 . . . A 417 THR HA . 17685 1 867 . 1 1 92 92 THR HB H 1 4.396 0.02 . 1 . . . A 417 THR HB . 17685 1 868 . 1 1 92 92 THR HG21 H 1 1.324 0.02 . 1 . . . . 417 THR QG2 . 17685 1 869 . 1 1 92 92 THR HG22 H 1 1.324 0.02 . 1 . . . . 417 THR QG2 . 17685 1 870 . 1 1 92 92 THR HG23 H 1 1.324 0.02 . 1 . . . . 417 THR QG2 . 17685 1 871 . 1 1 92 92 THR C C 13 177.541 0.1 . 1 . . . A 417 THR C . 17685 1 872 . 1 1 92 92 THR CA C 13 66.473 0.1 . 1 . . . A 417 THR CA . 17685 1 873 . 1 1 92 92 THR CB C 13 69.070 0.1 . 1 . . . A 417 THR CB . 17685 1 874 . 1 1 92 92 THR CG2 C 13 21.781 0.1 . 1 . . . A 417 THR CG2 . 17685 1 875 . 1 1 92 92 THR N N 15 114.597 0.1 . 1 . . . A 417 THR N . 17685 1 876 . 1 1 93 93 ILE H H 1 7.984 0.02 . 1 . . . A 418 ILE H . 17685 1 877 . 1 1 93 93 ILE HA H 1 3.662 0.02 . 1 . . . A 418 ILE HA . 17685 1 878 . 1 1 93 93 ILE HB H 1 1.982 0.02 . 1 . . . A 418 ILE HB . 17685 1 879 . 1 1 93 93 ILE HG12 H 1 0.956 0.02 . 2 . . . . 418 ILE HG12 . 17685 1 880 . 1 1 93 93 ILE HG13 H 1 1.746 0.02 . 2 . . . . 418 ILE HG13 . 17685 1 881 . 1 1 93 93 ILE HG21 H 1 0.884 0.02 . 1 . . . . 418 ILE QG2 . 17685 1 882 . 1 1 93 93 ILE HG22 H 1 0.884 0.02 . 1 . . . . 418 ILE QG2 . 17685 1 883 . 1 1 93 93 ILE HG23 H 1 0.884 0.02 . 1 . . . . 418 ILE QG2 . 17685 1 884 . 1 1 93 93 ILE HD11 H 1 0.821 0.02 . 1 . . . . 418 ILE QD1 . 17685 1 885 . 1 1 93 93 ILE HD12 H 1 0.821 0.02 . 1 . . . . 418 ILE QD1 . 17685 1 886 . 1 1 93 93 ILE HD13 H 1 0.821 0.02 . 1 . . . . 418 ILE QD1 . 17685 1 887 . 1 1 93 93 ILE C C 13 178.114 0.1 . 1 . . . A 418 ILE C . 17685 1 888 . 1 1 93 93 ILE CA C 13 65.626 0.1 . 1 . . . A 418 ILE CA . 17685 1 889 . 1 1 93 93 ILE CB C 13 38.297 0.1 . 1 . . . A 418 ILE CB . 17685 1 890 . 1 1 93 93 ILE CG1 C 13 29.890 0.1 . 1 . . . A 418 ILE CG1 . 17685 1 891 . 1 1 93 93 ILE CG2 C 13 18.884 0.1 . 1 . . . A 418 ILE CG2 . 17685 1 892 . 1 1 93 93 ILE CD1 C 13 16.618 0.1 . 1 . . . A 418 ILE CD1 . 17685 1 893 . 1 1 93 93 ILE N N 15 124.160 0.1 . 1 . . . A 418 ILE N . 17685 1 894 . 1 1 94 94 VAL H H 1 8.551 0.02 . 1 . . . A 419 VAL H . 17685 1 895 . 1 1 94 94 VAL HA H 1 4.156 0.02 . 1 . . . A 419 VAL HA . 17685 1 896 . 1 1 94 94 VAL HB H 1 2.235 0.02 . 1 . . . A 419 VAL HB . 17685 1 897 . 1 1 94 94 VAL HG11 H 1 1.007 0.02 . 2 . . . . 419 VAL QG1 . 17685 1 898 . 1 1 94 94 VAL HG12 H 1 1.007 0.02 . 2 . . . . 419 VAL QG1 . 17685 1 899 . 1 1 94 94 VAL HG13 H 1 1.007 0.02 . 2 . . . . 419 VAL QG1 . 17685 1 900 . 1 1 94 94 VAL HG21 H 1 1.064 0.02 . 2 . . . . 419 VAL QG2 . 17685 1 901 . 1 1 94 94 VAL HG22 H 1 1.064 0.02 . 2 . . . . 419 VAL QG2 . 17685 1 902 . 1 1 94 94 VAL HG23 H 1 1.064 0.02 . 2 . . . . 419 VAL QG2 . 17685 1 903 . 1 1 94 94 VAL C C 13 181.424 0.1 . 1 . . . A 419 VAL C . 17685 1 904 . 1 1 94 94 VAL CA C 13 65.808 0.1 . 1 . . . A 419 VAL CA . 17685 1 905 . 1 1 94 94 VAL CB C 13 31.892 0.1 . 1 . . . A 419 VAL CB . 17685 1 906 . 1 1 94 94 VAL CG1 C 13 23.092 0.1 . 2 . . . A 419 VAL CG1 . 17685 1 907 . 1 1 94 94 VAL CG2 C 13 21.797 0.1 . 2 . . . A 419 VAL CG2 . 17685 1 908 . 1 1 94 94 VAL N N 15 121.566 0.1 . 1 . . . A 419 VAL N . 17685 1 909 . 1 1 95 95 ASP H H 1 9.354 0.02 . 1 . . . A 420 ASP H . 17685 1 910 . 1 1 95 95 ASP HA H 1 4.477 0.02 . 1 . . . A 420 ASP HA . 17685 1 911 . 1 1 95 95 ASP HB2 H 1 2.905 0.02 . 2 . . . . 420 ASP HB2 . 17685 1 912 . 1 1 95 95 ASP HB3 H 1 2.698 0.02 . 2 . . . . 420 ASP HB3 . 17685 1 913 . 1 1 95 95 ASP C C 13 178.220 0.1 . 1 . . . A 420 ASP C . 17685 1 914 . 1 1 95 95 ASP CA C 13 57.548 0.1 . 1 . . . A 420 ASP CA . 17685 1 915 . 1 1 95 95 ASP CB C 13 39.850 0.1 . 1 . . . A 420 ASP CB . 17685 1 916 . 1 1 95 95 ASP N N 15 123.788 0.1 . 1 . . . A 420 ASP N . 17685 1 917 . 1 1 96 96 SER H H 1 7.862 0.02 . 1 . . . A 421 SER H . 17685 1 918 . 1 1 96 96 SER HA H 1 4.526 0.02 . 1 . . . A 421 SER HA . 17685 1 919 . 1 1 96 96 SER HB2 H 1 4.135 0.02 . 2 . . . . 421 SER QB . 17685 1 920 . 1 1 96 96 SER HB3 H 1 4.135 0.02 . 2 . . . . 421 SER QB . 17685 1 921 . 1 1 96 96 SER C C 13 175.345 0.1 . 1 . . . A 421 SER C . 17685 1 922 . 1 1 96 96 SER CA C 13 59.433 0.1 . 1 . . . A 421 SER CA . 17685 1 923 . 1 1 96 96 SER CB C 13 64.264 0.1 . 1 . . . A 421 SER CB . 17685 1 924 . 1 1 96 96 SER N N 15 111.960 0.1 . 1 . . . A 421 SER N . 17685 1 925 . 1 1 97 97 GLY H H 1 8.063 0.02 . 1 . . . A 422 GLY H . 17685 1 926 . 1 1 97 97 GLY HA2 H 1 4.229 0.02 . 2 . . . . 422 GLY HA2 . 17685 1 927 . 1 1 97 97 GLY HA3 H 1 3.980 0.02 . 2 . . . . 422 GLY HA3 . 17685 1 928 . 1 1 97 97 GLY C C 13 175.158 0.1 . 1 . . . A 422 GLY C . 17685 1 929 . 1 1 97 97 GLY CA C 13 45.606 0.1 . 1 . . . A 422 GLY CA . 17685 1 930 . 1 1 97 97 GLY N N 15 110.240 0.1 . 1 . . . A 422 GLY N . 17685 1 931 . 1 1 98 98 LYS H H 1 7.992 0.02 . 1 . . . A 423 LYS H . 17685 1 932 . 1 1 98 98 LYS HA H 1 4.083 0.02 . 1 . . . A 423 LYS HA . 17685 1 933 . 1 1 98 98 LYS HB2 H 1 1.884 0.02 . 2 . . . . 423 LYS QB . 17685 1 934 . 1 1 98 98 LYS HB3 H 1 1.884 0.02 . 2 . . . . 423 LYS QB . 17685 1 935 . 1 1 98 98 LYS HG2 H 1 1.593 0.02 . 2 . . . . 423 LYS HG2 . 17685 1 936 . 1 1 98 98 LYS HG3 H 1 1.477 0.02 . 2 . . . . 423 LYS HG3 . 17685 1 937 . 1 1 98 98 LYS HD2 H 1 1.795 0.02 . 2 . . . . 423 LYS HD2 . 17685 1 938 . 1 1 98 98 LYS HD3 H 1 1.733 0.02 . 2 . . . . 423 LYS HD3 . 17685 1 939 . 1 1 98 98 LYS HE2 H 1 3.111 0.02 . 2 . . . . 423 LYS HE2 . 17685 1 940 . 1 1 98 98 LYS HE3 H 1 3.073 0.02 . 2 . . . . 423 LYS HE3 . 17685 1 941 . 1 1 98 98 LYS C C 13 176.681 0.1 . 1 . . . A 423 LYS C . 17685 1 942 . 1 1 98 98 LYS CA C 13 59.417 0.1 . 1 . . . A 423 LYS CA . 17685 1 943 . 1 1 98 98 LYS CB C 13 33.453 0.1 . 1 . . . A 423 LYS CB . 17685 1 944 . 1 1 98 98 LYS CG C 13 26.000 0.1 . 1 . . . A 423 LYS CG . 17685 1 945 . 1 1 98 98 LYS CD C 13 29.900 0.1 . 1 . . . A 423 LYS CD . 17685 1 946 . 1 1 98 98 LYS CE C 13 42.200 0.1 . 1 . . . A 423 LYS CE . 17685 1 947 . 1 1 98 98 LYS N N 15 120.213 0.1 . 1 . . . A 423 LYS N . 17685 1 948 . 1 1 99 99 LEU H H 1 6.865 0.02 . 1 . . . A 424 LEU H . 17685 1 949 . 1 1 99 99 LEU HA H 1 4.848 0.02 . 1 . . . A 424 LEU HA . 17685 1 950 . 1 1 99 99 LEU HB2 H 1 1.326 0.02 . 2 . . . . 424 LEU HB2 . 17685 1 951 . 1 1 99 99 LEU HB3 H 1 1.261 0.02 . 2 . . . . 424 LEU HB3 . 17685 1 952 . 1 1 99 99 LEU HG H 1 1.451 0.02 . 1 . . . A 424 LEU HG . 17685 1 953 . 1 1 99 99 LEU HD11 H 1 0.845 0.02 . 2 . . . . 424 LEU QD1 . 17685 1 954 . 1 1 99 99 LEU HD12 H 1 0.845 0.02 . 2 . . . . 424 LEU QD1 . 17685 1 955 . 1 1 99 99 LEU HD13 H 1 0.845 0.02 . 2 . . . . 424 LEU QD1 . 17685 1 956 . 1 1 99 99 LEU HD21 H 1 1.053 0.02 . 2 . . . . 424 LEU QD2 . 17685 1 957 . 1 1 99 99 LEU HD22 H 1 1.053 0.02 . 2 . . . . 424 LEU QD2 . 17685 1 958 . 1 1 99 99 LEU HD23 H 1 1.053 0.02 . 2 . . . . 424 LEU QD2 . 17685 1 959 . 1 1 99 99 LEU C C 13 174.161 0.1 . 1 . . . A 424 LEU C . 17685 1 960 . 1 1 99 99 LEU CA C 13 52.225 0.1 . 1 . . . A 424 LEU CA . 17685 1 961 . 1 1 99 99 LEU CB C 13 46.075 0.1 . 1 . . . A 424 LEU CB . 17685 1 962 . 1 1 99 99 LEU CG C 13 27.300 0.1 . 1 . . . A 424 LEU CG . 17685 1 963 . 1 1 99 99 LEU CD1 C 13 27.300 0.1 . 2 . . . A 424 LEU CD1 . 17685 1 964 . 1 1 99 99 LEU CD2 C 13 23.740 0.1 . 2 . . . A 424 LEU CD2 . 17685 1 965 . 1 1 99 99 LEU N N 15 114.357 0.1 . 1 . . . A 424 LEU N . 17685 1 966 . 1 1 100 100 PRO HA H 1 4.650 0.02 . 1 . . . A 425 PRO HA . 17685 1 967 . 1 1 100 100 PRO HB2 H 1 2.087 0.02 . 2 . . . . 425 PRO HB2 . 17685 1 968 . 1 1 100 100 PRO HB3 H 1 2.408 0.02 . 2 . . . . 425 PRO HB3 . 17685 1 969 . 1 1 100 100 PRO HG2 H 1 2.068 0.02 . 2 . . . . 425 PRO QG . 17685 1 970 . 1 1 100 100 PRO HG3 H 1 2.068 0.02 . 2 . . . . 425 PRO QG . 17685 1 971 . 1 1 100 100 PRO HD2 H 1 3.859 0.02 . 2 . . . . 425 PRO HD2 . 17685 1 972 . 1 1 100 100 PRO HD3 H 1 3.575 0.02 . 2 . . . . 425 PRO HD3 . 17685 1 973 . 1 1 100 100 PRO C C 13 177.559 0.1 . 1 . . . A 425 PRO C . 17685 1 974 . 1 1 100 100 PRO CA C 13 61.643 0.1 . 1 . . . A 425 PRO CA . 17685 1 975 . 1 1 100 100 PRO CB C 13 32.422 0.1 . 1 . . . A 425 PRO CB . 17685 1 976 . 1 1 100 100 PRO CG C 13 27.300 0.1 . 1 . . . A 425 PRO CG . 17685 1 977 . 1 1 100 100 PRO CD C 13 50.607 0.1 . 1 . . . A 425 PRO CD . 17685 1 978 . 1 1 101 101 SER H H 1 8.999 0.02 . 1 . . . A 426 SER H . 17685 1 979 . 1 1 101 101 SER HA H 1 3.824 0.02 . 1 . . . A 426 SER HA . 17685 1 980 . 1 1 101 101 SER HB2 H 1 3.947 0.02 . 2 . . . . 426 SER QB . 17685 1 981 . 1 1 101 101 SER HB3 H 1 3.947 0.02 . 2 . . . . 426 SER QB . 17685 1 982 . 1 1 101 101 SER C C 13 177.202 0.1 . 1 . . . A 426 SER C . 17685 1 983 . 1 1 101 101 SER CA C 13 61.708 0.1 . 1 . . . A 426 SER CA . 17685 1 984 . 1 1 101 101 SER CB C 13 62.706 0.1 . 1 . . . A 426 SER CB . 17685 1 985 . 1 1 101 101 SER N N 15 117.043 0.1 . 1 . . . A 426 SER N . 17685 1 986 . 1 1 102 102 SER H H 1 8.115 0.02 . 1 . . . A 427 SER H . 17685 1 987 . 1 1 102 102 SER HA H 1 4.112 0.02 . 1 . . . A 427 SER HA . 17685 1 988 . 1 1 102 102 SER HB2 H 1 3.956 0.02 . 2 . . . . 427 SER QB . 17685 1 989 . 1 1 102 102 SER HB3 H 1 3.956 0.02 . 2 . . . . 427 SER QB . 17685 1 990 . 1 1 102 102 SER C C 13 176.526 0.1 . 1 . . . A 427 SER C . 17685 1 991 . 1 1 102 102 SER CA C 13 60.650 0.1 . 1 . . . A 427 SER CA . 17685 1 992 . 1 1 102 102 SER CB C 13 62.213 0.1 . 1 . . . A 427 SER CB . 17685 1 993 . 1 1 102 102 SER N N 15 114.761 0.1 . 1 . . . A 427 SER N . 17685 1 994 . 1 1 103 103 LEU H H 1 7.320 0.02 . 1 . . . A 428 LEU H . 17685 1 995 . 1 1 103 103 LEU HA H 1 4.435 0.02 . 1 . . . A 428 LEU HA . 17685 1 996 . 1 1 103 103 LEU HB2 H 1 1.738 0.02 . 2 . . . . 428 LEU QB . 17685 1 997 . 1 1 103 103 LEU HB3 H 1 1.738 0.02 . 2 . . . . 428 LEU QB . 17685 1 998 . 1 1 103 103 LEU HG H 1 1.735 0.02 . 1 . . . A 428 LEU HG . 17685 1 999 . 1 1 103 103 LEU HD11 H 1 1.035 0.02 . 2 . . . . 428 LEU QD1 . 17685 1 1000 . 1 1 103 103 LEU HD12 H 1 1.035 0.02 . 2 . . . . 428 LEU QD1 . 17685 1 1001 . 1 1 103 103 LEU HD13 H 1 1.035 0.02 . 2 . . . . 428 LEU QD1 . 17685 1 1002 . 1 1 103 103 LEU HD21 H 1 0.954 0.02 . 2 . . . . 428 LEU QD2 . 17685 1 1003 . 1 1 103 103 LEU HD22 H 1 0.954 0.02 . 2 . . . . 428 LEU QD2 . 17685 1 1004 . 1 1 103 103 LEU HD23 H 1 0.954 0.02 . 2 . . . . 428 LEU QD2 . 17685 1 1005 . 1 1 103 103 LEU C C 13 176.698 0.1 . 1 . . . A 428 LEU C . 17685 1 1006 . 1 1 103 103 LEU CA C 13 55.847 0.1 . 1 . . . A 428 LEU CA . 17685 1 1007 . 1 1 103 103 LEU CB C 13 42.586 0.1 . 1 . . . A 428 LEU CB . 17685 1 1008 . 1 1 103 103 LEU CG C 13 28.216 0.1 . 1 . . . A 428 LEU CG . 17685 1 1009 . 1 1 103 103 LEU CD1 C 13 26.044 0.1 . 2 . . . A 428 LEU CD1 . 17685 1 1010 . 1 1 103 103 LEU CD2 C 13 23.100 0.1 . 2 . . . A 428 LEU CD2 . 17685 1 1011 . 1 1 103 103 LEU N N 15 120.408 0.1 . 1 . . . A 428 LEU N . 17685 1 1012 . 1 1 104 104 LEU H H 1 7.325 0.02 . 1 . . . A 429 LEU H . 17685 1 1013 . 1 1 104 104 LEU HA H 1 4.995 0.02 . 1 . . . A 429 LEU HA . 17685 1 1014 . 1 1 104 104 LEU HB2 H 1 1.492 0.02 . 2 . . . . 429 LEU HB2 . 17685 1 1015 . 1 1 104 104 LEU HB3 H 1 1.847 0.02 . 2 . . . . 429 LEU HB3 . 17685 1 1016 . 1 1 104 104 LEU HG H 1 1.392 0.02 . 1 . . . A 429 LEU HG . 17685 1 1017 . 1 1 104 104 LEU HD11 H 1 1.003 0.02 . 2 . . . . 429 LEU QD1 . 17685 1 1018 . 1 1 104 104 LEU HD12 H 1 1.003 0.02 . 2 . . . . 429 LEU QD1 . 17685 1 1019 . 1 1 104 104 LEU HD13 H 1 1.003 0.02 . 2 . . . . 429 LEU QD1 . 17685 1 1020 . 1 1 104 104 LEU HD21 H 1 0.826 0.02 . 2 . . . . 429 LEU QD2 . 17685 1 1021 . 1 1 104 104 LEU HD22 H 1 0.826 0.02 . 2 . . . . 429 LEU QD2 . 17685 1 1022 . 1 1 104 104 LEU HD23 H 1 0.826 0.02 . 2 . . . . 429 LEU QD2 . 17685 1 1023 . 1 1 104 104 LEU C C 13 178.320 0.1 . 1 . . . A 429 LEU C . 17685 1 1024 . 1 1 104 104 LEU CA C 13 52.672 0.1 . 1 . . . A 429 LEU CA . 17685 1 1025 . 1 1 104 104 LEU CB C 13 43.039 0.1 . 1 . . . A 429 LEU CB . 17685 1 1026 . 1 1 104 104 LEU CG C 13 26.600 0.1 . 1 . . . A 429 LEU CG . 17685 1 1027 . 1 1 104 104 LEU CD1 C 13 24.711 0.1 . 2 . . . A 429 LEU CD1 . 17685 1 1028 . 1 1 104 104 LEU CD2 C 13 26.977 0.1 . 2 . . . A 429 LEU CD2 . 17685 1 1029 . 1 1 104 104 LEU N N 15 117.860 0.1 . 1 . . . A 429 LEU N . 17685 1 1030 . 1 1 105 105 SER H H 1 6.990 0.02 . 1 . . . A 430 SER H . 17685 1 1031 . 1 1 105 105 SER HA H 1 4.259 0.02 . 1 . . . A 430 SER HA . 17685 1 1032 . 1 1 105 105 SER HB2 H 1 4.062 0.02 . 2 . . . . 430 SER QB . 17685 1 1033 . 1 1 105 105 SER HB3 H 1 4.062 0.02 . 2 . . . . 430 SER QB . 17685 1 1034 . 1 1 105 105 SER C C 13 175.288 0.1 . 1 . . . A 430 SER C . 17685 1 1035 . 1 1 105 105 SER CA C 13 61.247 0.1 . 1 . . . A 430 SER CA . 17685 1 1036 . 1 1 105 105 SER CB C 13 64.058 0.1 . 1 . . . A 430 SER CB . 17685 1 1037 . 1 1 105 105 SER N N 15 112.664 0.1 . 1 . . . A 430 SER N . 17685 1 1038 . 1 1 106 106 TYR H H 1 10.433 0.02 . 1 . . . A 431 TYR H . 17685 1 1039 . 1 1 106 106 TYR HA H 1 4.060 0.02 . 1 . . . A 431 TYR HA . 17685 1 1040 . 1 1 106 106 TYR HB2 H 1 2.748 0.02 . 2 . . . . 431 TYR HB2 . 17685 1 1041 . 1 1 106 106 TYR HB3 H 1 2.389 0.02 . 2 . . . . 431 TYR HB3 . 17685 1 1042 . 1 1 106 106 TYR HD1 H 1 5.735 0.02 . 3 . . . . 431 TYR QD . 17685 1 1043 . 1 1 106 106 TYR HD2 H 1 5.735 0.02 . 3 . . . . 431 TYR QD . 17685 1 1044 . 1 1 106 106 TYR HE1 H 1 6.415 0.02 . 3 . . . . 431 TYR QE . 17685 1 1045 . 1 1 106 106 TYR HE2 H 1 6.415 0.02 . 3 . . . . 431 TYR QE . 17685 1 1046 . 1 1 106 106 TYR C C 13 176.064 0.1 . 1 . . . A 431 TYR C . 17685 1 1047 . 1 1 106 106 TYR CA C 13 61.449 0.1 . 1 . . . A 431 TYR CA . 17685 1 1048 . 1 1 106 106 TYR CB C 13 38.282 0.1 . 1 . . . A 431 TYR CB . 17685 1 1049 . 1 1 106 106 TYR CD1 C 13 133.085 0.1 . 3 . . . A 431 TYR CD1 . 17685 1 1050 . 1 1 106 106 TYR CE1 C 13 116.771 0.1 . 3 . . . A 431 TYR CE1 . 17685 1 1051 . 1 1 106 106 TYR N N 15 125.624 0.1 . 1 . . . A 431 TYR N . 17685 1 1052 . 1 1 107 107 PHE H H 1 7.955 0.02 . 1 . . . A 432 PHE H . 17685 1 1053 . 1 1 107 107 PHE HA H 1 4.314 0.02 . 1 . . . A 432 PHE HA . 17685 1 1054 . 1 1 107 107 PHE HB2 H 1 3.391 0.02 . 2 . . . . 432 PHE HB2 . 17685 1 1055 . 1 1 107 107 PHE HB3 H 1 2.614 0.02 . 2 . . . . 432 PHE HB3 . 17685 1 1056 . 1 1 107 107 PHE HD1 H 1 7.309 0.02 . 3 . . . . 432 PHE QD . 17685 1 1057 . 1 1 107 107 PHE HD2 H 1 7.309 0.02 . 3 . . . . 432 PHE QD . 17685 1 1058 . 1 1 107 107 PHE HE1 H 1 7.374 0.02 . 3 . . . . 432 PHE QE . 17685 1 1059 . 1 1 107 107 PHE HE2 H 1 7.374 0.02 . 3 . . . . 432 PHE QE . 17685 1 1060 . 1 1 107 107 PHE HZ H 1 7.238 0.02 . 1 . . . A 432 PHE HZ . 17685 1 1061 . 1 1 107 107 PHE C C 13 173.901 0.1 . 1 . . . A 432 PHE C . 17685 1 1062 . 1 1 107 107 PHE CA C 13 59.810 0.1 . 1 . . . A 432 PHE CA . 17685 1 1063 . 1 1 107 107 PHE CB C 13 43.249 0.1 . 1 . . . A 432 PHE CB . 17685 1 1064 . 1 1 107 107 PHE CD2 C 13 132.309 0.1 . 3 . . . A 432 PHE CD2 . 17685 1 1065 . 1 1 107 107 PHE CE2 C 13 131.791 0.1 . 3 . . . A 432 PHE CE2 . 17685 1 1066 . 1 1 107 107 PHE CZ C 13 129.978 0.1 . 1 . . . A 432 PHE CZ . 17685 1 1067 . 1 1 107 107 PHE N N 15 113.203 0.1 . 1 . . . A 432 PHE N . 17685 1 1068 . 1 1 108 108 VAL H H 1 7.399 0.02 . 1 . . . A 433 VAL H . 17685 1 1069 . 1 1 108 108 VAL HA H 1 4.168 0.02 . 1 . . . A 433 VAL HA . 17685 1 1070 . 1 1 108 108 VAL HB H 1 2.152 0.02 . 1 . . . A 433 VAL HB . 17685 1 1071 . 1 1 108 108 VAL HG11 H 1 0.898 0.02 . 2 . . . . 433 VAL QG1 . 17685 1 1072 . 1 1 108 108 VAL HG12 H 1 0.898 0.02 . 2 . . . . 433 VAL QG1 . 17685 1 1073 . 1 1 108 108 VAL HG13 H 1 0.898 0.02 . 2 . . . . 433 VAL QG1 . 17685 1 1074 . 1 1 108 108 VAL HG21 H 1 0.845 0.02 . 2 . . . . 433 VAL QG2 . 17685 1 1075 . 1 1 108 108 VAL HG22 H 1 0.845 0.02 . 2 . . . . 433 VAL QG2 . 17685 1 1076 . 1 1 108 108 VAL HG23 H 1 0.845 0.02 . 2 . . . . 433 VAL QG2 . 17685 1 1077 . 1 1 108 108 VAL C C 13 180.272 0.1 . 1 . . . A 433 VAL C . 17685 1 1078 . 1 1 108 108 VAL CA C 13 62.908 0.1 . 1 . . . A 433 VAL CA . 17685 1 1079 . 1 1 108 108 VAL CB C 13 33.451 0.1 . 1 . . . A 433 VAL CB . 17685 1 1080 . 1 1 108 108 VAL CG1 C 13 22.121 0.1 . 2 . . . A 433 VAL CG1 . 17685 1 1081 . 1 1 108 108 VAL CG2 C 13 20.179 0.1 . 2 . . . A 433 VAL CG2 . 17685 1 1082 . 1 1 108 108 VAL N N 15 119.967 0.1 . 1 . . . A 433 VAL N . 17685 1 stop_ save_