data_51320 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51320 _Entry.Title ; Backbone and sidechain 1H, 13C, 15N chemical shift assignments for the isolated human HtrA2-PDZ domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-02-10 _Entry.Accession_date 2022-02-10 _Entry.Last_release_date 2022-02-10 _Entry.Original_release_date 2022-02-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Emelie Aspholm . E. . 0000-0001-5878-0722 51320 2 Jens Lidman . . . . 51320 3 Bjorn Burmann . M. . 0000-0002-3135-7964 51320 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Gothenburg' . 51320 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51320 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 442 51320 '15N chemical shifts' 80 51320 '1H chemical shifts' 724 51320 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2024-08-05 2022-02-10 update BMRB 'update entry citation' 51320 1 . . 2024-04-17 2022-02-10 original author 'original release' 51320 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51320 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38816423 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis of substrate recognition and allosteric activation of the proapoptotic mitochondrial HtrA2 protease ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature Communications' _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 4592 _Citation.Page_last 4592 _Citation.Year 2024 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Emelie Aspholm . E. . . 51320 1 2 Jens Lidman . . . . 51320 1 3 Bjorn Burmann . M. . . 51320 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51320 _Assembly.ID 1 _Assembly.Name 'HtrA2-PDZ domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12292.08 _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 HtrA2-PDZ 1 $entity_1 . . yes native no no . . . 51320 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51320 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NSGGPLVNLDGEVIGVNTMK VTAGISFAIPSDRLREFLHR GEKKNSSSGISGSQRRYIGV MMLTLSPSILAELQLREPSF PDVQHGVLIHKVILGSPAHR AGLRPGDVILAIGEQMVQNA EDVYEAVRTQSQLAVQIRRG RETLTLYVTPEVTELE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ASN . 51320 1 2 . SER . 51320 1 3 . GLY . 51320 1 4 . GLY . 51320 1 5 . PRO . 51320 1 6 . LEU . 51320 1 7 . VAL . 51320 1 8 . ASN . 51320 1 9 . LEU . 51320 1 10 . ASP . 51320 1 11 . GLY . 51320 1 12 . GLU . 51320 1 13 . VAL . 51320 1 14 . ILE . 51320 1 15 . GLY . 51320 1 16 . VAL . 51320 1 17 . ASN . 51320 1 18 . THR . 51320 1 19 . MET . 51320 1 20 . LYS . 51320 1 21 . VAL . 51320 1 22 . THR . 51320 1 23 . ALA . 51320 1 24 . GLY . 51320 1 25 . ILE . 51320 1 26 . SER . 51320 1 27 . PHE . 51320 1 28 . ALA . 51320 1 29 . ILE . 51320 1 30 . PRO . 51320 1 31 . SER . 51320 1 32 . ASP . 51320 1 33 . ARG . 51320 1 34 . LEU . 51320 1 35 . ARG . 51320 1 36 . GLU . 51320 1 37 . PHE . 51320 1 38 . LEU . 51320 1 39 . HIS . 51320 1 40 . ARG . 51320 1 41 . GLY . 51320 1 42 . GLU . 51320 1 43 . LYS . 51320 1 44 . LYS . 51320 1 45 349 ASN . 51320 1 46 350 SER . 51320 1 47 351 SER . 51320 1 48 352 SER . 51320 1 49 353 GLY . 51320 1 50 354 ILE . 51320 1 51 355 SER . 51320 1 52 356 GLY . 51320 1 53 357 SER . 51320 1 54 358 GLN . 51320 1 55 359 ARG . 51320 1 56 360 ARG . 51320 1 57 361 TYR . 51320 1 58 362 ILE . 51320 1 59 363 GLY . 51320 1 60 364 VAL . 51320 1 61 365 MET . 51320 1 62 366 MET . 51320 1 63 367 LEU . 51320 1 64 368 THR . 51320 1 65 369 LEU . 51320 1 66 370 SER . 51320 1 67 371 PRO . 51320 1 68 372 SER . 51320 1 69 373 ILE . 51320 1 70 374 LEU . 51320 1 71 375 ALA . 51320 1 72 376 GLU . 51320 1 73 377 LEU . 51320 1 74 378 GLN . 51320 1 75 379 LEU . 51320 1 76 380 ARG . 51320 1 77 381 GLU . 51320 1 78 382 PRO . 51320 1 79 383 SER . 51320 1 80 384 PHE . 51320 1 81 385 PRO . 51320 1 82 386 ASP . 51320 1 83 387 VAL . 51320 1 84 388 GLN . 51320 1 85 389 HIS . 51320 1 86 390 GLY . 51320 1 87 391 VAL . 51320 1 88 392 LEU . 51320 1 89 393 ILE . 51320 1 90 394 HIS . 51320 1 91 395 LYS . 51320 1 92 396 VAL . 51320 1 93 397 ILE . 51320 1 94 398 LEU . 51320 1 95 399 GLY . 51320 1 96 400 SER . 51320 1 97 401 PRO . 51320 1 98 402 ALA . 51320 1 99 403 HIS . 51320 1 100 404 ARG . 51320 1 101 405 ALA . 51320 1 102 406 GLY . 51320 1 103 407 LEU . 51320 1 104 408 ARG . 51320 1 105 409 PRO . 51320 1 106 410 GLY . 51320 1 107 411 ASP . 51320 1 108 412 VAL . 51320 1 109 413 ILE . 51320 1 110 414 LEU . 51320 1 111 415 ALA . 51320 1 112 416 ILE . 51320 1 113 417 GLY . 51320 1 114 418 GLU . 51320 1 115 419 GLN . 51320 1 116 420 MET . 51320 1 117 421 VAL . 51320 1 118 422 GLN . 51320 1 119 423 ASN . 51320 1 120 424 ALA . 51320 1 121 425 GLU . 51320 1 122 426 ASP . 51320 1 123 427 VAL . 51320 1 124 428 TYR . 51320 1 125 429 GLU . 51320 1 126 430 ALA . 51320 1 127 431 VAL . 51320 1 128 432 ARG . 51320 1 129 433 THR . 51320 1 130 434 GLN . 51320 1 131 435 SER . 51320 1 132 436 GLN . 51320 1 133 437 LEU . 51320 1 134 438 ALA . 51320 1 135 439 VAL . 51320 1 136 440 GLN . 51320 1 137 441 ILE . 51320 1 138 442 ARG . 51320 1 139 443 ARG . 51320 1 140 444 GLY . 51320 1 141 445 ARG . 51320 1 142 446 GLU . 51320 1 143 447 THR . 51320 1 144 448 LEU . 51320 1 145 449 THR . 51320 1 146 450 LEU . 51320 1 147 451 TYR . 51320 1 148 452 VAL . 51320 1 149 453 THR . 51320 1 150 454 PRO . 51320 1 151 455 GLU . 51320 1 152 456 VAL . 51320 1 153 457 THR . 51320 1 154 458 GLU . 51320 1 155 459 LEU . 51320 1 156 460 GLU . 51320 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 . ASN 1 1 51320 1 . SER 2 2 51320 1 . GLY 3 3 51320 1 . GLY 4 4 51320 1 . PRO 5 5 51320 1 . LEU 6 6 51320 1 . VAL 7 7 51320 1 . ASN 8 8 51320 1 . LEU 9 9 51320 1 . ASP 10 10 51320 1 . GLY 11 11 51320 1 . GLU 12 12 51320 1 . VAL 13 13 51320 1 . ILE 14 14 51320 1 . GLY 15 15 51320 1 . VAL 16 16 51320 1 . ASN 17 17 51320 1 . THR 18 18 51320 1 . MET 19 19 51320 1 . LYS 20 20 51320 1 . VAL 21 21 51320 1 . THR 22 22 51320 1 . ALA 23 23 51320 1 . GLY 24 24 51320 1 . ILE 25 25 51320 1 . SER 26 26 51320 1 . PHE 27 27 51320 1 . ALA 28 28 51320 1 . ILE 29 29 51320 1 . PRO 30 30 51320 1 . SER 31 31 51320 1 . ASP 32 32 51320 1 . ARG 33 33 51320 1 . LEU 34 34 51320 1 . ARG 35 35 51320 1 . GLU 36 36 51320 1 . PHE 37 37 51320 1 . LEU 38 38 51320 1 . HIS 39 39 51320 1 . ARG 40 40 51320 1 . GLY 41 41 51320 1 . GLU 42 42 51320 1 . LYS 43 43 51320 1 . LYS 44 44 51320 1 . ASN 45 45 51320 1 . SER 46 46 51320 1 . SER 47 47 51320 1 . SER 48 48 51320 1 . GLY 49 49 51320 1 . ILE 50 50 51320 1 . SER 51 51 51320 1 . GLY 52 52 51320 1 . SER 53 53 51320 1 . GLN 54 54 51320 1 . ARG 55 55 51320 1 . ARG 56 56 51320 1 . TYR 57 57 51320 1 . ILE 58 58 51320 1 . GLY 59 59 51320 1 . VAL 60 60 51320 1 . MET 61 61 51320 1 . MET 62 62 51320 1 . LEU 63 63 51320 1 . THR 64 64 51320 1 . LEU 65 65 51320 1 . SER 66 66 51320 1 . PRO 67 67 51320 1 . SER 68 68 51320 1 . ILE 69 69 51320 1 . LEU 70 70 51320 1 . ALA 71 71 51320 1 . GLU 72 72 51320 1 . LEU 73 73 51320 1 . GLN 74 74 51320 1 . LEU 75 75 51320 1 . ARG 76 76 51320 1 . GLU 77 77 51320 1 . PRO 78 78 51320 1 . SER 79 79 51320 1 . PHE 80 80 51320 1 . PRO 81 81 51320 1 . ASP 82 82 51320 1 . VAL 83 83 51320 1 . GLN 84 84 51320 1 . HIS 85 85 51320 1 . GLY 86 86 51320 1 . VAL 87 87 51320 1 . LEU 88 88 51320 1 . ILE 89 89 51320 1 . HIS 90 90 51320 1 . LYS 91 91 51320 1 . VAL 92 92 51320 1 . ILE 93 93 51320 1 . LEU 94 94 51320 1 . GLY 95 95 51320 1 . SER 96 96 51320 1 . PRO 97 97 51320 1 . ALA 98 98 51320 1 . HIS 99 99 51320 1 . ARG 100 100 51320 1 . ALA 101 101 51320 1 . GLY 102 102 51320 1 . LEU 103 103 51320 1 . ARG 104 104 51320 1 . PRO 105 105 51320 1 . GLY 106 106 51320 1 . ASP 107 107 51320 1 . VAL 108 108 51320 1 . ILE 109 109 51320 1 . LEU 110 110 51320 1 . ALA 111 111 51320 1 . ILE 112 112 51320 1 . GLY 113 113 51320 1 . GLU 114 114 51320 1 . GLN 115 115 51320 1 . MET 116 116 51320 1 . VAL 117 117 51320 1 . GLN 118 118 51320 1 . ASN 119 119 51320 1 . ALA 120 120 51320 1 . GLU 121 121 51320 1 . ASP 122 122 51320 1 . VAL 123 123 51320 1 . TYR 124 124 51320 1 . GLU 125 125 51320 1 . ALA 126 126 51320 1 . VAL 127 127 51320 1 . ARG 128 128 51320 1 . THR 129 129 51320 1 . GLN 130 130 51320 1 . SER 131 131 51320 1 . GLN 132 132 51320 1 . LEU 133 133 51320 1 . ALA 134 134 51320 1 . VAL 135 135 51320 1 . GLN 136 136 51320 1 . ILE 137 137 51320 1 . ARG 138 138 51320 1 . ARG 139 139 51320 1 . GLY 140 140 51320 1 . ARG 141 141 51320 1 . GLU 142 142 51320 1 . THR 143 143 51320 1 . LEU 144 144 51320 1 . THR 145 145 51320 1 . LEU 146 146 51320 1 . TYR 147 147 51320 1 . VAL 148 148 51320 1 . THR 149 149 51320 1 . PRO 150 150 51320 1 . GLU 151 151 51320 1 . VAL 152 152 51320 1 . THR 153 153 51320 1 . GLU 154 154 51320 1 . LEU 155 155 51320 1 . GLU 156 156 51320 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51320 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . HTRA2 . 51320 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51320 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (lDE3)' . . plasmid . . pET28b . . . 51320 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51320 _Sample.ID 1 _Sample.Name HtrA2-PDZ _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HtrA2-PDZ domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 51320 1 2 NaCl 'natural abundance' . . . . . . 137 . . mM . . . . 51320 1 3 KCl 'natural abundance' . . . . . . 2.7 . . mM . . . . 51320 1 4 Na2HPO4 'natural abundance' . . . . . . 10 . . mM . . . . 51320 1 5 KH2PO4 'natural abundance' . . . . . . 1.8 . . mM . . . . 51320 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 51320 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions _Sample_condition_list.Details 'PBS pH 7.4' 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' 150 . mM 51320 1 pH 7.4 . pH 51320 1 pressure 1 . atm 51320 1 temperature 298 . K 51320 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51320 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.8a1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51320 1 'chemical shift calculation' . 51320 1 'data analysis' . 51320 1 'peak picking' . 51320 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51320 _Software.ID 2 _Software.Type . _Software.Name qMDD _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51320 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51320 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51320 3 'data analysis' . 51320 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51320 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version 9.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51320 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51320 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51320 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51320 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51320 1 2 '2D 1H-13C HSQC aliphatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51320 1 3 '3D CBCA(CO)NH' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51320 1 4 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51320 1 5 '3D HNCA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51320 1 6 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51320 1 7 '3D HN(CA)CO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51320 1 8 '3D (H)CCH-TOCSY' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51320 1 9 '3D HCCH-TOCSY' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51320 1 10 '3D H(CC)(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51320 1 11 '3D (H)CC(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51320 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51320 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chemshift_referencing _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 51320 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51320 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 51320 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51320 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name HtrA2-PDZ _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D CBCA(CO)NH' . . . 51320 1 4 '3D HNCACB' . . . 51320 1 5 '3D HNCA' . . . 51320 1 6 '3D HNCO' . . . 51320 1 7 '3D HN(CA)CO' . . . 51320 1 8 '3D (H)CCH-TOCSY' . . . 51320 1 9 '3D HCCH-TOCSY' . . . 51320 1 10 '3D H(CC)(CO)NH' . . . 51320 1 11 '3D (H)CC(CO)NH' . . . 51320 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 51320 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 45 45 ASN HA H 1 3.949 0.020 . 1 . . . . . 349 ASN HA . 51320 1 2 . 1 . 1 45 45 ASN HB2 H 1 2.814 0.020 . 2 . . . . . 349 ASN HB2 . 51320 1 3 . 1 . 1 45 45 ASN HB3 H 1 2.895 0.020 . 2 . . . . . 349 ASN HB3 . 51320 1 4 . 1 . 1 45 45 ASN CA C 13 54.075 0.3 . 1 . . . . . 349 ASN CA . 51320 1 5 . 1 . 1 45 45 ASN CB C 13 38.255 0.3 . 1 . . . . . 349 ASN CB . 51320 1 6 . 1 . 1 48 48 SER HA H 1 4.132 0.020 . 1 . . . . . 352 SER HA . 51320 1 7 . 1 . 1 48 48 SER HB2 H 1 3.881 0.020 . 1 . . . . . 352 SER HB2 . 51320 1 8 . 1 . 1 48 48 SER HB3 H 1 3.881 0.020 . 1 . . . . . 352 SER HB3 . 51320 1 9 . 1 . 1 48 48 SER CA C 13 59.938 0.3 . 1 . . . . . 352 SER CA . 51320 1 10 . 1 . 1 48 48 SER CB C 13 63.267 0.3 . 1 . . . . . 352 SER CB . 51320 1 11 . 1 . 1 49 49 GLY HA2 H 1 3.891 0.020 . 1 . . . . . 353 GLY HA2 . 51320 1 12 . 1 . 1 49 49 GLY HA3 H 1 3.891 0.020 . 1 . . . . . 353 GLY HA3 . 51320 1 13 . 1 . 1 49 49 GLY C C 13 173.970 0.3 . 1 . . . . . 353 GLY C . 51320 1 14 . 1 . 1 49 49 GLY CA C 13 45.178 0.3 . 1 . . . . . 353 GLY CA . 51320 1 15 . 1 . 1 50 50 ILE H H 1 7.846 0.020 . 1 . . . . . 354 ILE H . 51320 1 16 . 1 . 1 50 50 ILE HA H 1 4.155 0.020 . 1 . . . . . 354 ILE HA . 51320 1 17 . 1 . 1 50 50 ILE HB H 1 1.776 0.020 . 1 . . . . . 354 ILE HB . 51320 1 18 . 1 . 1 50 50 ILE HG12 H 1 1.050 0.020 . 2 . . . . . 354 ILE HG12 . 51320 1 19 . 1 . 1 50 50 ILE HG13 H 1 1.333 0.020 . 2 . . . . . 354 ILE HG13 . 51320 1 20 . 1 . 1 50 50 ILE HG21 H 1 0.807 0.020 . 1 . . . . . 354 ILE HG2 . 51320 1 21 . 1 . 1 50 50 ILE HG22 H 1 0.807 0.020 . 1 . . . . . 354 ILE HG2 . 51320 1 22 . 1 . 1 50 50 ILE HG23 H 1 0.807 0.020 . 1 . . . . . 354 ILE HG2 . 51320 1 23 . 1 . 1 50 50 ILE HD11 H 1 0.741 0.020 . 1 . . . . . 354 ILE HD1 . 51320 1 24 . 1 . 1 50 50 ILE HD12 H 1 0.741 0.020 . 1 . . . . . 354 ILE HD1 . 51320 1 25 . 1 . 1 50 50 ILE HD13 H 1 0.741 0.020 . 1 . . . . . 354 ILE HD1 . 51320 1 26 . 1 . 1 50 50 ILE C C 13 176.395 0.3 . 1 . . . . . 354 ILE C . 51320 1 27 . 1 . 1 50 50 ILE CA C 13 60.986 0.3 . 1 . . . . . 354 ILE CA . 51320 1 28 . 1 . 1 50 50 ILE CB C 13 38.632 0.3 . 1 . . . . . 354 ILE CB . 51320 1 29 . 1 . 1 50 50 ILE CG1 C 13 26.925 0.3 . 1 . . . . . 354 ILE CG1 . 51320 1 30 . 1 . 1 50 50 ILE CG2 C 13 17.299 0.3 . 1 . . . . . 354 ILE CG2 . 51320 1 31 . 1 . 1 50 50 ILE CD1 C 13 12.816 0.3 . 1 . . . . . 354 ILE CD1 . 51320 1 32 . 1 . 1 50 50 ILE N N 15 120.292 0.3 . 1 . . . . . 354 ILE N . 51320 1 33 . 1 . 1 51 51 SER HA H 1 4.905 0.020 . 1 . . . . . 355 SER HA . 51320 1 34 . 1 . 1 51 51 SER HB2 H 1 4.276 0.020 . 1 . . . . . 355 SER HB2 . 51320 1 35 . 1 . 1 51 51 SER HB3 H 1 4.276 0.020 . 1 . . . . . 355 SER HB3 . 51320 1 36 . 1 . 1 51 51 SER CA C 13 55.649 0.3 . 1 . . . . . 355 SER CA . 51320 1 37 . 1 . 1 51 51 SER CB C 13 63.398 0.3 . 1 . . . . . 355 SER CB . 51320 1 38 . 1 . 1 52 52 GLY HA2 H 1 3.921 0.020 . 2 . . . . . 356 GLY HA2 . 51320 1 39 . 1 . 1 52 52 GLY HA3 H 1 4.403 0.020 . 2 . . . . . 356 GLY HA3 . 51320 1 40 . 1 . 1 52 52 GLY CA C 13 45.408 0.3 . 1 . . . . . 356 GLY CA . 51320 1 41 . 1 . 1 53 53 SER HA H 1 4.373 0.020 . 1 . . . . . 357 SER HA . 51320 1 42 . 1 . 1 53 53 SER HB2 H 1 3.806 0.020 . 2 . . . . . 357 SER HB2 . 51320 1 43 . 1 . 1 53 53 SER HB3 H 1 3.849 0.020 . 2 . . . . . 357 SER HB3 . 51320 1 44 . 1 . 1 53 53 SER C C 13 174.153 0.3 . 1 . . . . . 357 SER C . 51320 1 45 . 1 . 1 53 53 SER CA C 13 58.496 0.3 . 1 . . . . . 357 SER CA . 51320 1 46 . 1 . 1 53 53 SER CB C 13 63.594 0.3 . 1 . . . . . 357 SER CB . 51320 1 47 . 1 . 1 54 54 GLN H H 1 8.104 0.020 . 1 . . . . . 358 GLN H . 51320 1 48 . 1 . 1 54 54 GLN HA H 1 4.441 0.020 . 1 . . . . . 358 GLN HA . 51320 1 49 . 1 . 1 54 54 GLN HB2 H 1 1.895 0.020 . 2 . . . . . 358 GLN HB2 . 51320 1 50 . 1 . 1 54 54 GLN HB3 H 1 1.933 0.020 . 2 . . . . . 358 GLN HB3 . 51320 1 51 . 1 . 1 54 54 GLN HG2 H 1 2.185 0.020 . 2 . . . . . 358 GLN HG2 . 51320 1 52 . 1 . 1 54 54 GLN HG3 H 1 2.275 0.020 . 2 . . . . . 358 GLN HG3 . 51320 1 53 . 1 . 1 54 54 GLN C C 13 175.386 0.3 . 1 . . . . . 358 GLN C . 51320 1 54 . 1 . 1 54 54 GLN CA C 13 55.497 0.3 . 1 . . . . . 358 GLN CA . 51320 1 55 . 1 . 1 54 54 GLN CB C 13 30.107 0.3 . 1 . . . . . 358 GLN CB . 51320 1 56 . 1 . 1 54 54 GLN CG C 13 33.985 0.3 . 1 . . . . . 358 GLN CG . 51320 1 57 . 1 . 1 54 54 GLN N N 15 121.718 0.3 . 1 . . . . . 358 GLN N . 51320 1 58 . 1 . 1 55 55 ARG H H 1 8.426 0.020 . 1 . . . . . 359 ARG H . 51320 1 59 . 1 . 1 55 55 ARG HA H 1 4.421 0.020 . 1 . . . . . 359 ARG HA . 51320 1 60 . 1 . 1 55 55 ARG HB2 H 1 1.685 0.020 . 2 . . . . . 359 ARG HB2 . 51320 1 61 . 1 . 1 55 55 ARG HB3 H 1 1.783 0.020 . 2 . . . . . 359 ARG HB3 . 51320 1 62 . 1 . 1 55 55 ARG HG2 H 1 1.403 0.020 . 1 . . . . . 359 ARG HG2 . 51320 1 63 . 1 . 1 55 55 ARG HG3 H 1 1.403 0.020 . 1 . . . . . 359 ARG HG3 . 51320 1 64 . 1 . 1 55 55 ARG HD2 H 1 3.094 0.020 . 1 . . . . . 359 ARG HD2 . 51320 1 65 . 1 . 1 55 55 ARG HD3 H 1 3.094 0.020 . 1 . . . . . 359 ARG HD3 . 51320 1 66 . 1 . 1 55 55 ARG C C 13 175.171 0.3 . 1 . . . . . 359 ARG C . 51320 1 67 . 1 . 1 55 55 ARG CA C 13 55.582 0.3 . 1 . . . . . 359 ARG CA . 51320 1 68 . 1 . 1 55 55 ARG CB C 13 31.461 0.3 . 1 . . . . . 359 ARG CB . 51320 1 69 . 1 . 1 55 55 ARG CG C 13 26.924 0.3 . 1 . . . . . 359 ARG CG . 51320 1 70 . 1 . 1 55 55 ARG CD C 13 43.184 0.3 . 1 . . . . . 359 ARG CD . 51320 1 71 . 1 . 1 55 55 ARG N N 15 122.420 0.3 . 1 . . . . . 359 ARG N . 51320 1 72 . 1 . 1 56 56 ARG H H 1 8.234 0.020 . 1 . . . . . 360 ARG H . 51320 1 73 . 1 . 1 56 56 ARG HA H 1 4.933 0.020 . 1 . . . . . 360 ARG HA . 51320 1 74 . 1 . 1 56 56 ARG HB2 H 1 1.407 0.020 . 2 . . . . . 360 ARG HB2 . 51320 1 75 . 1 . 1 56 56 ARG HB3 H 1 1.719 0.020 . 2 . . . . . 360 ARG HB3 . 51320 1 76 . 1 . 1 56 56 ARG HG2 H 1 1.408 0.020 . 2 . . . . . 360 ARG HG2 . 51320 1 77 . 1 . 1 56 56 ARG HG3 H 1 1.444 0.020 . 2 . . . . . 360 ARG HG3 . 51320 1 78 . 1 . 1 56 56 ARG HD2 H 1 3.142 0.020 . 2 . . . . . 360 ARG HD2 . 51320 1 79 . 1 . 1 56 56 ARG HD3 H 1 3.181 0.020 . 2 . . . . . 360 ARG HD3 . 51320 1 80 . 1 . 1 56 56 ARG C C 13 175.834 0.3 . 1 . . . . . 360 ARG C . 51320 1 81 . 1 . 1 56 56 ARG CA C 13 55.454 0.3 . 1 . . . . . 360 ARG CA . 51320 1 82 . 1 . 1 56 56 ARG CB C 13 32.721 0.3 . 1 . . . . . 360 ARG CB . 51320 1 83 . 1 . 1 56 56 ARG CG C 13 28.233 0.3 . 1 . . . . . 360 ARG CG . 51320 1 84 . 1 . 1 56 56 ARG CD C 13 43.601 0.3 . 1 . . . . . 360 ARG CD . 51320 1 85 . 1 . 1 56 56 ARG N N 15 122.634 0.3 . 1 . . . . . 360 ARG N . 51320 1 86 . 1 . 1 57 57 TYR H H 1 9.031 0.020 . 1 . . . . . 361 TYR H . 51320 1 87 . 1 . 1 57 57 TYR HA H 1 5.016 0.020 . 1 . . . . . 361 TYR HA . 51320 1 88 . 1 . 1 57 57 TYR HB2 H 1 2.788 0.020 . 2 . . . . . 361 TYR HB2 . 51320 1 89 . 1 . 1 57 57 TYR HB3 H 1 3.215 0.020 . 2 . . . . . 361 TYR HB3 . 51320 1 90 . 1 . 1 57 57 TYR C C 13 174.418 0.3 . 1 . . . . . 361 TYR C . 51320 1 91 . 1 . 1 57 57 TYR CA C 13 56.593 0.3 . 1 . . . . . 361 TYR CA . 51320 1 92 . 1 . 1 57 57 TYR CB C 13 42.562 0.3 . 1 . . . . . 361 TYR CB . 51320 1 93 . 1 . 1 57 57 TYR N N 15 123.162 0.3 . 1 . . . . . 361 TYR N . 51320 1 94 . 1 . 1 58 58 ILE H H 1 8.814 0.020 . 1 . . . . . 362 ILE H . 51320 1 95 . 1 . 1 58 58 ILE HA H 1 4.169 0.020 . 1 . . . . . 362 ILE HA . 51320 1 96 . 1 . 1 58 58 ILE HB H 1 2.130 0.020 . 1 . . . . . 362 ILE HB . 51320 1 97 . 1 . 1 58 58 ILE HG12 H 1 1.486 0.020 . 2 . . . . . 362 ILE HG12 . 51320 1 98 . 1 . 1 58 58 ILE HG13 H 1 1.502 0.020 . 2 . . . . . 362 ILE HG13 . 51320 1 99 . 1 . 1 58 58 ILE HG21 H 1 0.483 0.020 . 1 . . . . . 362 ILE HG2 . 51320 1 100 . 1 . 1 58 58 ILE HG22 H 1 0.483 0.020 . 1 . . . . . 362 ILE HG2 . 51320 1 101 . 1 . 1 58 58 ILE HG23 H 1 0.483 0.020 . 1 . . . . . 362 ILE HG2 . 51320 1 102 . 1 . 1 58 58 ILE HD11 H 1 0.651 0.020 . 1 . . . . . 362 ILE HD1 . 51320 1 103 . 1 . 1 58 58 ILE HD12 H 1 0.651 0.020 . 1 . . . . . 362 ILE HD1 . 51320 1 104 . 1 . 1 58 58 ILE HD13 H 1 0.651 0.020 . 1 . . . . . 362 ILE HD1 . 51320 1 105 . 1 . 1 58 58 ILE C C 13 176.340 0.3 . 1 . . . . . 362 ILE C . 51320 1 106 . 1 . 1 58 58 ILE CA C 13 60.976 0.3 . 1 . . . . . 362 ILE CA . 51320 1 107 . 1 . 1 58 58 ILE CB C 13 36.144 0.3 . 1 . . . . . 362 ILE CB . 51320 1 108 . 1 . 1 58 58 ILE CG1 C 13 27.000 0.3 . 1 . . . . . 362 ILE CG1 . 51320 1 109 . 1 . 1 58 58 ILE CG2 C 13 18.714 0.3 . 1 . . . . . 362 ILE CG2 . 51320 1 110 . 1 . 1 58 58 ILE CD1 C 13 13.396 0.3 . 1 . . . . . 362 ILE CD1 . 51320 1 111 . 1 . 1 58 58 ILE N N 15 113.918 0.3 . 1 . . . . . 362 ILE N . 51320 1 112 . 1 . 1 59 59 GLY HA2 H 1 3.707 0.020 . 2 . . . . . 363 GLY HA2 . 51320 1 113 . 1 . 1 59 59 GLY HA3 H 1 4.274 0.020 . 2 . . . . . 363 GLY HA3 . 51320 1 114 . 1 . 1 59 59 GLY CA C 13 46.699 0.3 . 1 . . . . . 363 GLY CA . 51320 1 115 . 1 . 1 60 60 VAL HA H 1 5.126 0.020 . 1 . . . . . 364 VAL HA . 51320 1 116 . 1 . 1 60 60 VAL HB H 1 1.848 0.020 . 1 . . . . . 364 VAL HB . 51320 1 117 . 1 . 1 60 60 VAL HG11 H 1 0.624 0.020 . 2 . . . . . 364 VAL HG1 . 51320 1 118 . 1 . 1 60 60 VAL HG12 H 1 0.624 0.020 . 2 . . . . . 364 VAL HG1 . 51320 1 119 . 1 . 1 60 60 VAL HG13 H 1 0.624 0.020 . 2 . . . . . 364 VAL HG1 . 51320 1 120 . 1 . 1 60 60 VAL HG21 H 1 0.654 0.020 . 2 . . . . . 364 VAL HG2 . 51320 1 121 . 1 . 1 60 60 VAL HG22 H 1 0.654 0.020 . 2 . . . . . 364 VAL HG2 . 51320 1 122 . 1 . 1 60 60 VAL HG23 H 1 0.654 0.020 . 2 . . . . . 364 VAL HG2 . 51320 1 123 . 1 . 1 60 60 VAL CA C 13 58.215 0.3 . 1 . . . . . 364 VAL CA . 51320 1 124 . 1 . 1 60 60 VAL CB C 13 35.076 0.3 . 1 . . . . . 364 VAL CB . 51320 1 125 . 1 . 1 60 60 VAL CG1 C 13 22.777 0.3 . 1 . . . . . 364 VAL CG1 . 51320 1 126 . 1 . 1 60 60 VAL CG2 C 13 18.294 0.3 . 1 . . . . . 364 VAL CG2 . 51320 1 127 . 1 . 1 61 61 MET HA H 1 4.791 0.020 . 1 . . . . . 365 MET HA . 51320 1 128 . 1 . 1 61 61 MET HB2 H 1 2.408 0.020 . 2 . . . . . 365 MET HB2 . 51320 1 129 . 1 . 1 61 61 MET HB3 H 1 2.486 0.020 . 2 . . . . . 365 MET HB3 . 51320 1 130 . 1 . 1 61 61 MET HG2 H 1 1.588 0.020 . 2 . . . . . 365 MET HG2 . 51320 1 131 . 1 . 1 61 61 MET HG3 H 1 1.949 0.020 . 2 . . . . . 365 MET HG3 . 51320 1 132 . 1 . 1 61 61 MET CA C 13 55.299 0.3 . 1 . . . . . 365 MET CA . 51320 1 133 . 1 . 1 61 61 MET CB C 13 32.597 0.3 . 1 . . . . . 365 MET CB . 51320 1 134 . 1 . 1 61 61 MET CG C 13 28.905 0.3 . 1 . . . . . 365 MET CG . 51320 1 135 . 1 . 1 62 62 MET HA H 1 3.959 0.020 . 1 . . . . . 366 MET HA . 51320 1 136 . 1 . 1 62 62 MET HB2 H 1 1.784 0.020 . 2 . . . . . 366 MET HB2 . 51320 1 137 . 1 . 1 62 62 MET HB3 H 1 2.067 0.020 . 2 . . . . . 366 MET HB3 . 51320 1 138 . 1 . 1 62 62 MET HG2 H 1 1.687 0.020 . 2 . . . . . 366 MET HG2 . 51320 1 139 . 1 . 1 62 62 MET HG3 H 1 2.144 0.020 . 2 . . . . . 366 MET HG3 . 51320 1 140 . 1 . 1 62 62 MET CA C 13 62.834 0.3 . 1 . . . . . 366 MET CA . 51320 1 141 . 1 . 1 62 62 MET CB C 13 31.245 0.3 . 1 . . . . . 366 MET CB . 51320 1 142 . 1 . 1 62 62 MET CG C 13 28.663 0.3 . 1 . . . . . 366 MET CG . 51320 1 143 . 1 . 1 63 63 LEU HA H 1 4.728 0.020 . 1 . . . . . 367 LEU HA . 51320 1 144 . 1 . 1 63 63 LEU HB2 H 1 1.348 0.020 . 1 . . . . . 367 LEU HB2 . 51320 1 145 . 1 . 1 63 63 LEU HB3 H 1 1.348 0.020 . 1 . . . . . 367 LEU HB3 . 51320 1 146 . 1 . 1 63 63 LEU HG H 1 1.572 0.020 . 1 . . . . . 367 LEU HG . 51320 1 147 . 1 . 1 63 63 LEU HD11 H 1 0.834 0.020 . 2 . . . . . 367 LEU HD1 . 51320 1 148 . 1 . 1 63 63 LEU HD12 H 1 0.834 0.020 . 2 . . . . . 367 LEU HD1 . 51320 1 149 . 1 . 1 63 63 LEU HD13 H 1 0.834 0.020 . 2 . . . . . 367 LEU HD1 . 51320 1 150 . 1 . 1 63 63 LEU HD21 H 1 0.742 0.020 . 2 . . . . . 367 LEU HD2 . 51320 1 151 . 1 . 1 63 63 LEU HD22 H 1 0.742 0.020 . 2 . . . . . 367 LEU HD2 . 51320 1 152 . 1 . 1 63 63 LEU HD23 H 1 0.742 0.020 . 2 . . . . . 367 LEU HD2 . 51320 1 153 . 1 . 1 63 63 LEU CA C 13 53.458 0.3 . 1 . . . . . 367 LEU CA . 51320 1 154 . 1 . 1 63 63 LEU CB C 13 45.596 0.3 . 1 . . . . . 367 LEU CB . 51320 1 155 . 1 . 1 63 63 LEU CG C 13 26.701 0.3 . 1 . . . . . 367 LEU CG . 51320 1 156 . 1 . 1 63 63 LEU CD1 C 13 23.779 0.3 . 1 . . . . . 367 LEU CD1 . 51320 1 157 . 1 . 1 63 63 LEU CD2 C 13 24.299 0.3 . 1 . . . . . 367 LEU CD2 . 51320 1 158 . 1 . 1 64 64 THR HA H 1 3.850 0.020 . 1 . . . . . 368 THR HA . 51320 1 159 . 1 . 1 64 64 THR HB H 1 4.175 0.020 . 1 . . . . . 368 THR HB . 51320 1 160 . 1 . 1 64 64 THR HG21 H 1 1.433 0.020 . 1 . . . . . 368 THR HG2 . 51320 1 161 . 1 . 1 64 64 THR HG22 H 1 1.433 0.020 . 1 . . . . . 368 THR HG2 . 51320 1 162 . 1 . 1 64 64 THR HG23 H 1 1.433 0.020 . 1 . . . . . 368 THR HG2 . 51320 1 163 . 1 . 1 64 64 THR CA C 13 64.957 0.3 . 1 . . . . . 368 THR CA . 51320 1 164 . 1 . 1 64 64 THR CB C 13 69.342 0.3 . 1 . . . . . 368 THR CB . 51320 1 165 . 1 . 1 64 64 THR CG2 C 13 22.484 0.3 . 1 . . . . . 368 THR CG2 . 51320 1 166 . 1 . 1 65 65 LEU HA H 1 4.191 0.020 . 1 . . . . . 369 LEU HA . 51320 1 167 . 1 . 1 65 65 LEU HB2 H 1 1.788 0.020 . 1 . . . . . 369 LEU HB2 . 51320 1 168 . 1 . 1 65 65 LEU HB3 H 1 1.788 0.020 . 1 . . . . . 369 LEU HB3 . 51320 1 169 . 1 . 1 65 65 LEU HG H 1 0.624 0.020 . 1 . . . . . 369 LEU HG . 51320 1 170 . 1 . 1 65 65 LEU HD11 H 1 0.630 0.020 . 2 . . . . . 369 LEU HD1 . 51320 1 171 . 1 . 1 65 65 LEU HD12 H 1 0.630 0.020 . 2 . . . . . 369 LEU HD1 . 51320 1 172 . 1 . 1 65 65 LEU HD13 H 1 0.630 0.020 . 2 . . . . . 369 LEU HD1 . 51320 1 173 . 1 . 1 65 65 LEU HD21 H 1 0.643 0.020 . 2 . . . . . 369 LEU HD2 . 51320 1 174 . 1 . 1 65 65 LEU HD22 H 1 0.643 0.020 . 2 . . . . . 369 LEU HD2 . 51320 1 175 . 1 . 1 65 65 LEU HD23 H 1 0.643 0.020 . 2 . . . . . 369 LEU HD2 . 51320 1 176 . 1 . 1 65 65 LEU C C 13 174.920 0.3 . 1 . . . . . 369 LEU C . 51320 1 177 . 1 . 1 65 65 LEU CA C 13 54.351 0.3 . 1 . . . . . 369 LEU CA . 51320 1 178 . 1 . 1 65 65 LEU CB C 13 40.303 0.3 . 1 . . . . . 369 LEU CB . 51320 1 179 . 1 . 1 65 65 LEU CG C 13 26.209 0.3 . 1 . . . . . 369 LEU CG . 51320 1 180 . 1 . 1 65 65 LEU CD1 C 13 26.206 0.3 . 1 . . . . . 369 LEU CD1 . 51320 1 181 . 1 . 1 65 65 LEU CD2 C 13 23.664 0.3 . 1 . . . . . 369 LEU CD2 . 51320 1 182 . 1 . 1 66 66 SER H H 1 6.899 0.020 . 1 . . . . . 370 SER H . 51320 1 183 . 1 . 1 66 66 SER HA H 1 4.541 0.020 . 1 . . . . . 370 SER HA . 51320 1 184 . 1 . 1 66 66 SER HB2 H 1 3.826 0.020 . 1 . . . . . 370 SER HB2 . 51320 1 185 . 1 . 1 66 66 SER HB3 H 1 3.826 0.020 . 1 . . . . . 370 SER HB3 . 51320 1 186 . 1 . 1 66 66 SER CA C 13 55.597 0.3 . 1 . . . . . 370 SER CA . 51320 1 187 . 1 . 1 66 66 SER CB C 13 63.440 0.3 . 1 . . . . . 370 SER CB . 51320 1 188 . 1 . 1 66 66 SER N N 15 119.712 0.3 . 1 . . . . . 370 SER N . 51320 1 189 . 1 . 1 67 67 PRO HA H 1 4.120 0.020 . 1 . . . . . 371 PRO HA . 51320 1 190 . 1 . 1 67 67 PRO HB2 H 1 1.996 0.020 . 1 . . . . . 371 PRO HB2 . 51320 1 191 . 1 . 1 67 67 PRO HB3 H 1 1.996 0.020 . 1 . . . . . 371 PRO HB3 . 51320 1 192 . 1 . 1 67 67 PRO HG2 H 1 2.034 0.020 . 2 . . . . . 371 PRO HG2 . 51320 1 193 . 1 . 1 67 67 PRO HG3 H 1 2.244 0.020 . 2 . . . . . 371 PRO HG3 . 51320 1 194 . 1 . 1 67 67 PRO HD2 H 1 3.070 0.020 . 2 . . . . . 371 PRO HD2 . 51320 1 195 . 1 . 1 67 67 PRO HD3 H 1 3.909 0.020 . 2 . . . . . 371 PRO HD3 . 51320 1 196 . 1 . 1 67 67 PRO CA C 13 66.078 0.3 . 1 . . . . . 371 PRO CA . 51320 1 197 . 1 . 1 67 67 PRO CB C 13 32.465 0.3 . 1 . . . . . 371 PRO CB . 51320 1 198 . 1 . 1 67 67 PRO CG C 13 28.557 0.3 . 1 . . . . . 371 PRO CG . 51320 1 199 . 1 . 1 67 67 PRO CD C 13 50.038 0.3 . 1 . . . . . 371 PRO CD . 51320 1 200 . 1 . 1 68 68 SER HA H 1 4.196 0.020 . 1 . . . . . 372 SER HA . 51320 1 201 . 1 . 1 68 68 SER HB2 H 1 3.796 0.020 . 1 . . . . . 372 SER HB2 . 51320 1 202 . 1 . 1 68 68 SER HB3 H 1 3.796 0.020 . 1 . . . . . 372 SER HB3 . 51320 1 203 . 1 . 1 68 68 SER C C 13 176.910 0.3 . 1 . . . . . 372 SER C . 51320 1 204 . 1 . 1 68 68 SER CA C 13 54.297 0.3 . 1 . . . . . 372 SER CA . 51320 1 205 . 1 . 1 68 68 SER CB C 13 62.079 0.3 . 1 . . . . . 372 SER CB . 51320 1 206 . 1 . 1 69 69 ILE H H 1 7.213 0.020 . 1 . . . . . 373 ILE H . 51320 1 207 . 1 . 1 69 69 ILE HA H 1 3.806 0.020 . 1 . . . . . 373 ILE HA . 51320 1 208 . 1 . 1 69 69 ILE HB H 1 1.780 0.020 . 1 . . . . . 373 ILE HB . 51320 1 209 . 1 . 1 69 69 ILE HG12 H 1 1.167 0.020 . 2 . . . . . 373 ILE HG12 . 51320 1 210 . 1 . 1 69 69 ILE HG13 H 1 1.535 0.020 . 2 . . . . . 373 ILE HG13 . 51320 1 211 . 1 . 1 69 69 ILE HG21 H 1 0.803 0.020 . 1 . . . . . 373 ILE HG2 . 51320 1 212 . 1 . 1 69 69 ILE HG22 H 1 0.803 0.020 . 1 . . . . . 373 ILE HG2 . 51320 1 213 . 1 . 1 69 69 ILE HG23 H 1 0.803 0.020 . 1 . . . . . 373 ILE HG2 . 51320 1 214 . 1 . 1 69 69 ILE HD11 H 1 0.847 0.020 . 1 . . . . . 373 ILE HD1 . 51320 1 215 . 1 . 1 69 69 ILE HD12 H 1 0.847 0.020 . 1 . . . . . 373 ILE HD1 . 51320 1 216 . 1 . 1 69 69 ILE HD13 H 1 0.847 0.020 . 1 . . . . . 373 ILE HD1 . 51320 1 217 . 1 . 1 69 69 ILE CA C 13 63.681 0.3 . 1 . . . . . 373 ILE CA . 51320 1 218 . 1 . 1 69 69 ILE CB C 13 38.493 0.3 . 1 . . . . . 373 ILE CB . 51320 1 219 . 1 . 1 69 69 ILE CG1 C 13 28.781 0.3 . 1 . . . . . 373 ILE CG1 . 51320 1 220 . 1 . 1 69 69 ILE CG2 C 13 17.384 0.3 . 1 . . . . . 373 ILE CG2 . 51320 1 221 . 1 . 1 69 69 ILE CD1 C 13 12.530 0.3 . 1 . . . . . 373 ILE CD1 . 51320 1 222 . 1 . 1 69 69 ILE N N 15 125.547 0.3 . 1 . . . . . 373 ILE N . 51320 1 223 . 1 . 1 70 70 LEU HA H 1 3.673 0.020 . 1 . . . . . 374 LEU HA . 51320 1 224 . 1 . 1 70 70 LEU HB2 H 1 1.494 0.020 . 2 . . . . . 374 LEU HB2 . 51320 1 225 . 1 . 1 70 70 LEU HB3 H 1 1.532 0.020 . 2 . . . . . 374 LEU HB3 . 51320 1 226 . 1 . 1 70 70 LEU HG H 1 1.533 0.020 . 1 . . . . . 374 LEU HG . 51320 1 227 . 1 . 1 70 70 LEU HD11 H 1 0.834 0.020 . 2 . . . . . 374 LEU HD1 . 51320 1 228 . 1 . 1 70 70 LEU HD12 H 1 0.834 0.020 . 2 . . . . . 374 LEU HD1 . 51320 1 229 . 1 . 1 70 70 LEU HD13 H 1 0.834 0.020 . 2 . . . . . 374 LEU HD1 . 51320 1 230 . 1 . 1 70 70 LEU HD21 H 1 0.770 0.020 . 2 . . . . . 374 LEU HD2 . 51320 1 231 . 1 . 1 70 70 LEU HD22 H 1 0.770 0.020 . 2 . . . . . 374 LEU HD2 . 51320 1 232 . 1 . 1 70 70 LEU HD23 H 1 0.770 0.020 . 2 . . . . . 374 LEU HD2 . 51320 1 233 . 1 . 1 70 70 LEU CA C 13 58.036 0.3 . 1 . . . . . 374 LEU CA . 51320 1 234 . 1 . 1 70 70 LEU CB C 13 41.753 0.3 . 1 . . . . . 374 LEU CB . 51320 1 235 . 1 . 1 70 70 LEU CG C 13 26.383 0.3 . 1 . . . . . 374 LEU CG . 51320 1 236 . 1 . 1 70 70 LEU CD1 C 13 24.992 0.3 . 1 . . . . . 374 LEU CD1 . 51320 1 237 . 1 . 1 70 70 LEU CD2 C 13 24.641 0.3 . 1 . . . . . 374 LEU CD2 . 51320 1 238 . 1 . 1 71 71 ALA H H 1 7.588 0.020 . 1 . . . . . 375 ALA H . 51320 1 239 . 1 . 1 71 71 ALA HA H 1 4.019 0.020 . 1 . . . . . 375 ALA HA . 51320 1 240 . 1 . 1 71 71 ALA HB1 H 1 1.388 0.020 . 1 . . . . . 375 ALA HB . 51320 1 241 . 1 . 1 71 71 ALA HB2 H 1 1.388 0.020 . 1 . . . . . 375 ALA HB . 51320 1 242 . 1 . 1 71 71 ALA HB3 H 1 1.388 0.020 . 1 . . . . . 375 ALA HB . 51320 1 243 . 1 . 1 71 71 ALA C C 13 180.336 0.3 . 1 . . . . . 375 ALA C . 51320 1 244 . 1 . 1 71 71 ALA CA C 13 54.704 0.3 . 1 . . . . . 375 ALA CA . 51320 1 245 . 1 . 1 71 71 ALA CB C 13 17.754 0.3 . 1 . . . . . 375 ALA CB . 51320 1 246 . 1 . 1 71 71 ALA N N 15 119.075 0.3 . 1 . . . . . 375 ALA N . 51320 1 247 . 1 . 1 72 72 GLU H H 1 7.186 0.020 . 1 . . . . . 376 GLU H . 51320 1 248 . 1 . 1 72 72 GLU HA H 1 3.938 0.020 . 1 . . . . . 376 GLU HA . 51320 1 249 . 1 . 1 72 72 GLU HB2 H 1 2.008 0.020 . 1 . . . . . 376 GLU HB2 . 51320 1 250 . 1 . 1 72 72 GLU HB3 H 1 2.008 0.020 . 1 . . . . . 376 GLU HB3 . 51320 1 251 . 1 . 1 72 72 GLU HG2 H 1 2.130 0.020 . 2 . . . . . 376 GLU HG2 . 51320 1 252 . 1 . 1 72 72 GLU HG3 H 1 2.176 0.020 . 2 . . . . . 376 GLU HG3 . 51320 1 253 . 1 . 1 72 72 GLU C C 13 179.133 0.3 . 1 . . . . . 376 GLU C . 51320 1 254 . 1 . 1 72 72 GLU CA C 13 59.034 0.3 . 1 . . . . . 376 GLU CA . 51320 1 255 . 1 . 1 72 72 GLU CB C 13 29.390 0.3 . 1 . . . . . 376 GLU CB . 51320 1 256 . 1 . 1 72 72 GLU CG C 13 36.052 0.3 . 1 . . . . . 376 GLU CG . 51320 1 257 . 1 . 1 72 72 GLU N N 15 118.414 0.3 . 1 . . . . . 376 GLU N . 51320 1 258 . 1 . 1 73 73 LEU H H 1 8.044 0.020 . 1 . . . . . 377 LEU H . 51320 1 259 . 1 . 1 73 73 LEU HA H 1 3.743 0.020 . 1 . . . . . 377 LEU HA . 51320 1 260 . 1 . 1 73 73 LEU HB2 H 1 0.462 0.020 . 2 . . . . . 377 LEU HB2 . 51320 1 261 . 1 . 1 73 73 LEU HB3 H 1 1.208 0.020 . 2 . . . . . 377 LEU HB3 . 51320 1 262 . 1 . 1 73 73 LEU HG H 1 1.407 0.020 . 1 . . . . . 377 LEU HG . 51320 1 263 . 1 . 1 73 73 LEU HD11 H 1 0.229 0.020 . 2 . . . . . 377 LEU HD1 . 51320 1 264 . 1 . 1 73 73 LEU HD12 H 1 0.229 0.020 . 2 . . . . . 377 LEU HD1 . 51320 1 265 . 1 . 1 73 73 LEU HD13 H 1 0.229 0.020 . 2 . . . . . 377 LEU HD1 . 51320 1 266 . 1 . 1 73 73 LEU HD21 H 1 0.454 0.020 . 2 . . . . . 377 LEU HD2 . 51320 1 267 . 1 . 1 73 73 LEU HD22 H 1 0.454 0.020 . 2 . . . . . 377 LEU HD2 . 51320 1 268 . 1 . 1 73 73 LEU HD23 H 1 0.454 0.020 . 2 . . . . . 377 LEU HD2 . 51320 1 269 . 1 . 1 73 73 LEU C C 13 178.990 0.3 . 1 . . . . . 377 LEU C . 51320 1 270 . 1 . 1 73 73 LEU CA C 13 57.826 0.3 . 1 . . . . . 377 LEU CA . 51320 1 271 . 1 . 1 73 73 LEU CB C 13 40.845 0.3 . 1 . . . . . 377 LEU CB . 51320 1 272 . 1 . 1 73 73 LEU CG C 13 26.647 0.3 . 1 . . . . . 377 LEU CG . 51320 1 273 . 1 . 1 73 73 LEU CD1 C 13 25.915 0.3 . 1 . . . . . 377 LEU CD1 . 51320 1 274 . 1 . 1 73 73 LEU CD2 C 13 22.256 0.3 . 1 . . . . . 377 LEU CD2 . 51320 1 275 . 1 . 1 73 73 LEU N N 15 121.259 0.3 . 1 . . . . . 377 LEU N . 51320 1 276 . 1 . 1 74 74 GLN H H 1 8.022 0.020 . 1 . . . . . 378 GLN H . 51320 1 277 . 1 . 1 74 74 GLN HA H 1 4.015 0.020 . 1 . . . . . 378 GLN HA . 51320 1 278 . 1 . 1 74 74 GLN HB2 H 1 1.895 0.020 . 2 . . . . . 378 GLN HB2 . 51320 1 279 . 1 . 1 74 74 GLN HB3 H 1 2.029 0.020 . 2 . . . . . 378 GLN HB3 . 51320 1 280 . 1 . 1 74 74 GLN HG2 H 1 2.422 0.020 . 2 . . . . . 378 GLN HG2 . 51320 1 281 . 1 . 1 74 74 GLN HG3 H 1 2.456 0.020 . 2 . . . . . 378 GLN HG3 . 51320 1 282 . 1 . 1 74 74 GLN C C 13 177.865 0.3 . 1 . . . . . 378 GLN C . 51320 1 283 . 1 . 1 74 74 GLN CA C 13 57.600 0.3 . 1 . . . . . 378 GLN CA . 51320 1 284 . 1 . 1 74 74 GLN CB C 13 27.978 0.3 . 1 . . . . . 378 GLN CB . 51320 1 285 . 1 . 1 74 74 GLN CG C 13 34.970 0.3 . 1 . . . . . 378 GLN CG . 51320 1 286 . 1 . 1 74 74 GLN N N 15 115.999 0.3 . 1 . . . . . 378 GLN N . 51320 1 287 . 1 . 1 75 75 LEU H H 1 7.199 0.020 . 1 . . . . . 379 LEU H . 51320 1 288 . 1 . 1 75 75 LEU HA H 1 4.075 0.020 . 1 . . . . . 379 LEU HA . 51320 1 289 . 1 . 1 75 75 LEU HB2 H 1 1.583 0.020 . 2 . . . . . 379 LEU HB2 . 51320 1 290 . 1 . 1 75 75 LEU HB3 H 1 1.703 0.020 . 2 . . . . . 379 LEU HB3 . 51320 1 291 . 1 . 1 75 75 LEU HG H 1 1.573 0.020 . 1 . . . . . 379 LEU HG . 51320 1 292 . 1 . 1 75 75 LEU HD11 H 1 0.791 0.020 . 2 . . . . . 379 LEU HD1 . 51320 1 293 . 1 . 1 75 75 LEU HD12 H 1 0.791 0.020 . 2 . . . . . 379 LEU HD1 . 51320 1 294 . 1 . 1 75 75 LEU HD13 H 1 0.791 0.020 . 2 . . . . . 379 LEU HD1 . 51320 1 295 . 1 . 1 75 75 LEU HD21 H 1 0.828 0.020 . 2 . . . . . 379 LEU HD2 . 51320 1 296 . 1 . 1 75 75 LEU HD22 H 1 0.828 0.020 . 2 . . . . . 379 LEU HD2 . 51320 1 297 . 1 . 1 75 75 LEU HD23 H 1 0.828 0.020 . 2 . . . . . 379 LEU HD2 . 51320 1 298 . 1 . 1 75 75 LEU C C 13 178.541 0.3 . 1 . . . . . 379 LEU C . 51320 1 299 . 1 . 1 75 75 LEU CA C 13 56.807 0.3 . 1 . . . . . 379 LEU CA . 51320 1 300 . 1 . 1 75 75 LEU CB C 13 42.376 0.3 . 1 . . . . . 379 LEU CB . 51320 1 301 . 1 . 1 75 75 LEU CG C 13 26.675 0.3 . 1 . . . . . 379 LEU CG . 51320 1 302 . 1 . 1 75 75 LEU CD1 C 13 23.971 0.3 . 1 . . . . . 379 LEU CD1 . 51320 1 303 . 1 . 1 75 75 LEU CD2 C 13 24.161 0.3 . 1 . . . . . 379 LEU CD2 . 51320 1 304 . 1 . 1 75 75 LEU N N 15 118.821 0.3 . 1 . . . . . 379 LEU N . 51320 1 305 . 1 . 1 76 76 ARG HA H 1 4.553 0.020 . 1 . . . . . 380 ARG HA . 51320 1 306 . 1 . 1 76 76 ARG HB2 H 1 2.324 0.020 . 2 . . . . . 380 ARG HB2 . 51320 1 307 . 1 . 1 76 76 ARG HB3 H 1 2.432 0.020 . 2 . . . . . 380 ARG HB3 . 51320 1 308 . 1 . 1 76 76 ARG HG2 H 1 1.812 0.020 . 2 . . . . . 380 ARG HG2 . 51320 1 309 . 1 . 1 76 76 ARG HG3 H 1 2.098 0.020 . 2 . . . . . 380 ARG HG3 . 51320 1 310 . 1 . 1 76 76 ARG HD2 H 1 3.092 0.020 . 2 . . . . . 380 ARG HD2 . 51320 1 311 . 1 . 1 76 76 ARG HD3 H 1 3.181 0.020 . 2 . . . . . 380 ARG HD3 . 51320 1 312 . 1 . 1 76 76 ARG CA C 13 55.296 0.3 . 1 . . . . . 380 ARG CA . 51320 1 313 . 1 . 1 76 76 ARG CB C 13 33.856 0.3 . 1 . . . . . 380 ARG CB . 51320 1 314 . 1 . 1 76 76 ARG CG C 13 30.136 0.3 . 1 . . . . . 380 ARG CG . 51320 1 315 . 1 . 1 76 76 ARG CD C 13 43.557 0.3 . 1 . . . . . 380 ARG CD . 51320 1 316 . 1 . 1 77 77 GLU H H 1 8.057 0.020 . 1 . . . . . 381 GLU H . 51320 1 317 . 1 . 1 77 77 GLU HA H 1 4.859 0.020 . 1 . . . . . 381 GLU HA . 51320 1 318 . 1 . 1 77 77 GLU HB2 H 1 1.962 0.020 . 2 . . . . . 381 GLU HB2 . 51320 1 319 . 1 . 1 77 77 GLU HB3 H 1 2.107 0.020 . 2 . . . . . 381 GLU HB3 . 51320 1 320 . 1 . 1 77 77 GLU HG2 H 1 2.179 0.020 . 1 . . . . . 381 GLU HG2 . 51320 1 321 . 1 . 1 77 77 GLU HG3 H 1 2.179 0.020 . 1 . . . . . 381 GLU HG3 . 51320 1 322 . 1 . 1 77 77 GLU C C 13 173.406 0.3 . 1 . . . . . 381 GLU C . 51320 1 323 . 1 . 1 77 77 GLU CA C 13 52.705 0.3 . 1 . . . . . 381 GLU CA . 51320 1 324 . 1 . 1 77 77 GLU CB C 13 30.243 0.3 . 1 . . . . . 381 GLU CB . 51320 1 325 . 1 . 1 77 77 GLU CG C 13 36.089 0.3 . 1 . . . . . 381 GLU CG . 51320 1 326 . 1 . 1 77 77 GLU N N 15 120.271 0.3 . 1 . . . . . 381 GLU N . 51320 1 327 . 1 . 1 78 78 PRO HA H 1 4.469 0.020 . 1 . . . . . 382 PRO HA . 51320 1 328 . 1 . 1 78 78 PRO HB2 H 1 1.764 0.020 . 2 . . . . . 382 PRO HB2 . 51320 1 329 . 1 . 1 78 78 PRO HB3 H 1 2.295 0.020 . 2 . . . . . 382 PRO HB3 . 51320 1 330 . 1 . 1 78 78 PRO HG2 H 1 1.936 0.020 . 2 . . . . . 382 PRO HG2 . 51320 1 331 . 1 . 1 78 78 PRO HG3 H 1 1.966 0.020 . 2 . . . . . 382 PRO HG3 . 51320 1 332 . 1 . 1 78 78 PRO HD2 H 1 3.543 0.020 . 2 . . . . . 382 PRO HD2 . 51320 1 333 . 1 . 1 78 78 PRO HD3 H 1 3.749 0.020 . 2 . . . . . 382 PRO HD3 . 51320 1 334 . 1 . 1 78 78 PRO C C 13 177.394 0.3 . 1 . . . . . 382 PRO C . 51320 1 335 . 1 . 1 78 78 PRO CA C 13 64.334 0.3 . 1 . . . . . 382 PRO CA . 51320 1 336 . 1 . 1 78 78 PRO CB C 13 31.738 0.3 . 1 . . . . . 382 PRO CB . 51320 1 337 . 1 . 1 78 78 PRO CG C 13 27.001 0.3 . 1 . . . . . 382 PRO CG . 51320 1 338 . 1 . 1 78 78 PRO CD C 13 50.564 0.3 . 1 . . . . . 382 PRO CD . 51320 1 339 . 1 . 1 79 79 SER H H 1 8.160 0.020 . 1 . . . . . 383 SER H . 51320 1 340 . 1 . 1 79 79 SER HA H 1 4.428 0.020 . 1 . . . . . 383 SER HA . 51320 1 341 . 1 . 1 79 79 SER HB2 H 1 3.808 0.020 . 1 . . . . . 383 SER HB2 . 51320 1 342 . 1 . 1 79 79 SER HB3 H 1 3.808 0.020 . 1 . . . . . 383 SER HB3 . 51320 1 343 . 1 . 1 79 79 SER C C 13 174.149 0.3 . 1 . . . . . 383 SER C . 51320 1 344 . 1 . 1 79 79 SER CA C 13 58.321 0.3 . 1 . . . . . 383 SER CA . 51320 1 345 . 1 . 1 79 79 SER CB C 13 63.265 0.3 . 1 . . . . . 383 SER CB . 51320 1 346 . 1 . 1 79 79 SER N N 15 111.630 0.3 . 1 . . . . . 383 SER N . 51320 1 347 . 1 . 1 80 80 PHE H H 1 8.221 0.020 . 1 . . . . . 384 PHE H . 51320 1 348 . 1 . 1 80 80 PHE HA H 1 4.310 0.020 . 1 . . . . . 384 PHE HA . 51320 1 349 . 1 . 1 80 80 PHE HB2 H 1 2.891 0.020 . 2 . . . . . 384 PHE HB2 . 51320 1 350 . 1 . 1 80 80 PHE HB3 H 1 3.188 0.020 . 2 . . . . . 384 PHE HB3 . 51320 1 351 . 1 . 1 80 80 PHE C C 13 173.960 0.3 . 1 . . . . . 384 PHE C . 51320 1 352 . 1 . 1 80 80 PHE CA C 13 57.726 0.3 . 1 . . . . . 384 PHE CA . 51320 1 353 . 1 . 1 80 80 PHE CB C 13 39.440 0.3 . 1 . . . . . 384 PHE CB . 51320 1 354 . 1 . 1 80 80 PHE N N 15 128.544 0.3 . 1 . . . . . 384 PHE N . 51320 1 355 . 1 . 1 81 81 PRO HA H 1 4.071 0.020 . 1 . . . . . 385 PRO HA . 51320 1 356 . 1 . 1 81 81 PRO HB2 H 1 1.370 0.020 . 2 . . . . . 385 PRO HB2 . 51320 1 357 . 1 . 1 81 81 PRO HB3 H 1 1.937 0.020 . 2 . . . . . 385 PRO HB3 . 51320 1 358 . 1 . 1 81 81 PRO HG2 H 1 1.109 0.020 . 2 . . . . . 385 PRO HG2 . 51320 1 359 . 1 . 1 81 81 PRO HG3 H 1 1.642 0.020 . 2 . . . . . 385 PRO HG3 . 51320 1 360 . 1 . 1 81 81 PRO HD2 H 1 3.842 0.020 . 2 . . . . . 385 PRO HD2 . 51320 1 361 . 1 . 1 81 81 PRO HD3 H 1 3.934 0.020 . 2 . . . . . 385 PRO HD3 . 51320 1 362 . 1 . 1 81 81 PRO C C 13 175.045 0.3 . 1 . . . . . 385 PRO C . 51320 1 363 . 1 . 1 81 81 PRO CA C 13 63.095 0.3 . 1 . . . . . 385 PRO CA . 51320 1 364 . 1 . 1 81 81 PRO CB C 13 32.539 0.3 . 1 . . . . . 385 PRO CB . 51320 1 365 . 1 . 1 81 81 PRO CG C 13 26.956 0.3 . 1 . . . . . 385 PRO CG . 51320 1 366 . 1 . 1 81 81 PRO CD C 13 50.091 0.3 . 1 . . . . . 385 PRO CD . 51320 1 367 . 1 . 1 82 82 ASP H H 1 8.107 0.020 . 1 . . . . . 386 ASP H . 51320 1 368 . 1 . 1 82 82 ASP HA H 1 4.505 0.020 . 1 . . . . . 386 ASP HA . 51320 1 369 . 1 . 1 82 82 ASP HB2 H 1 2.549 0.020 . 1 . . . . . 386 ASP HB2 . 51320 1 370 . 1 . 1 82 82 ASP HB3 H 1 2.549 0.020 . 1 . . . . . 386 ASP HB3 . 51320 1 371 . 1 . 1 82 82 ASP C C 13 175.960 0.3 . 1 . . . . . 386 ASP C . 51320 1 372 . 1 . 1 82 82 ASP CA C 13 53.385 0.3 . 1 . . . . . 386 ASP CA . 51320 1 373 . 1 . 1 82 82 ASP CB C 13 38.760 0.3 . 1 . . . . . 386 ASP CB . 51320 1 374 . 1 . 1 82 82 ASP N N 15 121.495 0.3 . 1 . . . . . 386 ASP N . 51320 1 375 . 1 . 1 83 83 VAL H H 1 7.221 0.020 . 1 . . . . . 387 VAL H . 51320 1 376 . 1 . 1 83 83 VAL HA H 1 4.280 0.020 . 1 . . . . . 387 VAL HA . 51320 1 377 . 1 . 1 83 83 VAL HB H 1 2.164 0.020 . 1 . . . . . 387 VAL HB . 51320 1 378 . 1 . 1 83 83 VAL HG11 H 1 0.655 0.020 . 2 . . . . . 387 VAL HG1 . 51320 1 379 . 1 . 1 83 83 VAL HG12 H 1 0.655 0.020 . 2 . . . . . 387 VAL HG1 . 51320 1 380 . 1 . 1 83 83 VAL HG13 H 1 0.655 0.020 . 2 . . . . . 387 VAL HG1 . 51320 1 381 . 1 . 1 83 83 VAL HG21 H 1 0.627 0.020 . 2 . . . . . 387 VAL HG2 . 51320 1 382 . 1 . 1 83 83 VAL HG22 H 1 0.627 0.020 . 2 . . . . . 387 VAL HG2 . 51320 1 383 . 1 . 1 83 83 VAL HG23 H 1 0.627 0.020 . 2 . . . . . 387 VAL HG2 . 51320 1 384 . 1 . 1 83 83 VAL C C 13 174.946 0.3 . 1 . . . . . 387 VAL C . 51320 1 385 . 1 . 1 83 83 VAL CA C 13 59.613 0.3 . 1 . . . . . 387 VAL CA . 51320 1 386 . 1 . 1 83 83 VAL CB C 13 33.559 0.3 . 1 . . . . . 387 VAL CB . 51320 1 387 . 1 . 1 83 83 VAL CG1 C 13 22.451 0.3 . 1 . . . . . 387 VAL CG1 . 51320 1 388 . 1 . 1 83 83 VAL CG2 C 13 18.523 0.3 . 1 . . . . . 387 VAL CG2 . 51320 1 389 . 1 . 1 83 83 VAL N N 15 116.230 0.3 . 1 . . . . . 387 VAL N . 51320 1 390 . 1 . 1 84 84 GLN H H 1 8.555 0.020 . 1 . . . . . 388 GLN H . 51320 1 391 . 1 . 1 84 84 GLN HA H 1 4.298 0.020 . 1 . . . . . 388 GLN HA . 51320 1 392 . 1 . 1 84 84 GLN HB2 H 1 1.809 0.020 . 2 . . . . . 388 GLN HB2 . 51320 1 393 . 1 . 1 84 84 GLN HB3 H 1 2.107 0.020 . 2 . . . . . 388 GLN HB3 . 51320 1 394 . 1 . 1 84 84 GLN HG2 H 1 2.211 0.020 . 1 . . . . . 388 GLN HG2 . 51320 1 395 . 1 . 1 84 84 GLN HG3 H 1 2.211 0.020 . 1 . . . . . 388 GLN HG3 . 51320 1 396 . 1 . 1 84 84 GLN C C 13 174.561 0.3 . 1 . . . . . 388 GLN C . 51320 1 397 . 1 . 1 84 84 GLN CA C 13 55.704 0.3 . 1 . . . . . 388 GLN CA . 51320 1 398 . 1 . 1 84 84 GLN CB C 13 30.046 0.3 . 1 . . . . . 388 GLN CB . 51320 1 399 . 1 . 1 84 84 GLN CG C 13 34.103 0.3 . 1 . . . . . 388 GLN CG . 51320 1 400 . 1 . 1 84 84 GLN N N 15 118.475 0.3 . 1 . . . . . 388 GLN N . 51320 1 401 . 1 . 1 85 85 HIS H H 1 7.424 0.020 . 1 . . . . . 389 HIS H . 51320 1 402 . 1 . 1 85 85 HIS HA H 1 4.619 0.020 . 1 . . . . . 389 HIS HA . 51320 1 403 . 1 . 1 85 85 HIS HB2 H 1 3.154 0.020 . 2 . . . . . 389 HIS HB2 . 51320 1 404 . 1 . 1 85 85 HIS HB3 H 1 3.090 0.020 . 2 . . . . . 389 HIS HB3 . 51320 1 405 . 1 . 1 85 85 HIS C C 13 171.478 0.3 . 1 . . . . . 389 HIS C . 51320 1 406 . 1 . 1 85 85 HIS CA C 13 54.268 0.3 . 1 . . . . . 389 HIS CA . 51320 1 407 . 1 . 1 85 85 HIS CB C 13 32.345 0.3 . 1 . . . . . 389 HIS CB . 51320 1 408 . 1 . 1 85 85 HIS N N 15 116.177 0.3 . 1 . . . . . 389 HIS N . 51320 1 409 . 1 . 1 86 86 GLY H H 1 8.343 0.020 . 1 . . . . . 390 GLY H . 51320 1 410 . 1 . 1 86 86 GLY HA2 H 1 3.892 0.020 . 1 . . . . . 390 GLY HA2 . 51320 1 411 . 1 . 1 86 86 GLY HA3 H 1 3.892 0.020 . 1 . . . . . 390 GLY HA3 . 51320 1 412 . 1 . 1 86 86 GLY C C 13 171.926 0.3 . 1 . . . . . 390 GLY C . 51320 1 413 . 1 . 1 86 86 GLY CA C 13 43.804 0.3 . 1 . . . . . 390 GLY CA . 51320 1 414 . 1 . 1 86 86 GLY N N 15 103.473 0.3 . 1 . . . . . 390 GLY N . 51320 1 415 . 1 . 1 87 87 VAL H H 1 7.839 0.020 . 1 . . . . . 391 VAL H . 51320 1 416 . 1 . 1 87 87 VAL HA H 1 4.426 0.020 . 1 . . . . . 391 VAL HA . 51320 1 417 . 1 . 1 87 87 VAL HB H 1 1.536 0.020 . 1 . . . . . 391 VAL HB . 51320 1 418 . 1 . 1 87 87 VAL HG11 H 1 0.494 0.020 . 2 . . . . . 391 VAL HG1 . 51320 1 419 . 1 . 1 87 87 VAL HG12 H 1 0.494 0.020 . 2 . . . . . 391 VAL HG1 . 51320 1 420 . 1 . 1 87 87 VAL HG13 H 1 0.494 0.020 . 2 . . . . . 391 VAL HG1 . 51320 1 421 . 1 . 1 87 87 VAL HG21 H 1 0.463 0.020 . 2 . . . . . 391 VAL HG2 . 51320 1 422 . 1 . 1 87 87 VAL HG22 H 1 0.463 0.020 . 2 . . . . . 391 VAL HG2 . 51320 1 423 . 1 . 1 87 87 VAL HG23 H 1 0.463 0.020 . 2 . . . . . 391 VAL HG2 . 51320 1 424 . 1 . 1 87 87 VAL C C 13 174.167 0.3 . 1 . . . . . 391 VAL C . 51320 1 425 . 1 . 1 87 87 VAL CA C 13 60.146 0.3 . 1 . . . . . 391 VAL CA . 51320 1 426 . 1 . 1 87 87 VAL CB C 13 35.184 0.3 . 1 . . . . . 391 VAL CB . 51320 1 427 . 1 . 1 87 87 VAL CG1 C 13 21.246 0.3 . 1 . . . . . 391 VAL CG1 . 51320 1 428 . 1 . 1 87 87 VAL CG2 C 13 21.398 0.3 . 1 . . . . . 391 VAL CG2 . 51320 1 429 . 1 . 1 87 87 VAL N N 15 116.280 0.3 . 1 . . . . . 391 VAL N . 51320 1 430 . 1 . 1 88 88 LEU H H 1 8.943 0.020 . 1 . . . . . 392 LEU H . 51320 1 431 . 1 . 1 88 88 LEU HA H 1 4.619 0.020 . 1 . . . . . 392 LEU HA . 51320 1 432 . 1 . 1 88 88 LEU HB2 H 1 1.432 0.020 . 1 . . . . . 392 LEU HB2 . 51320 1 433 . 1 . 1 88 88 LEU HB3 H 1 1.432 0.020 . 1 . . . . . 392 LEU HB3 . 51320 1 434 . 1 . 1 88 88 LEU HG H 1 1.400 0.020 . 1 . . . . . 392 LEU HG . 51320 1 435 . 1 . 1 88 88 LEU HD11 H 1 0.832 0.020 . 2 . . . . . 392 LEU HD1 . 51320 1 436 . 1 . 1 88 88 LEU HD12 H 1 0.832 0.020 . 2 . . . . . 392 LEU HD1 . 51320 1 437 . 1 . 1 88 88 LEU HD13 H 1 0.832 0.020 . 2 . . . . . 392 LEU HD1 . 51320 1 438 . 1 . 1 88 88 LEU HD21 H 1 0.834 0.020 . 2 . . . . . 392 LEU HD2 . 51320 1 439 . 1 . 1 88 88 LEU HD22 H 1 0.834 0.020 . 2 . . . . . 392 LEU HD2 . 51320 1 440 . 1 . 1 88 88 LEU HD23 H 1 0.834 0.020 . 2 . . . . . 392 LEU HD2 . 51320 1 441 . 1 . 1 88 88 LEU CA C 13 54.382 0.3 . 1 . . . . . 392 LEU CA . 51320 1 442 . 1 . 1 88 88 LEU CB C 13 44.286 0.3 . 1 . . . . . 392 LEU CB . 51320 1 443 . 1 . 1 88 88 LEU CG C 13 27.583 0.3 . 1 . . . . . 392 LEU CG . 51320 1 444 . 1 . 1 88 88 LEU CD1 C 13 24.128 0.3 . 1 . . . . . 392 LEU CD1 . 51320 1 445 . 1 . 1 88 88 LEU CD2 C 13 24.807 0.3 . 1 . . . . . 392 LEU CD2 . 51320 1 446 . 1 . 1 88 88 LEU N N 15 129.536 0.3 . 1 . . . . . 392 LEU N . 51320 1 447 . 1 . 1 89 89 ILE HA H 1 4.258 0.020 . 1 . . . . . 393 ILE HA . 51320 1 448 . 1 . 1 89 89 ILE HB H 1 1.632 0.020 . 1 . . . . . 393 ILE HB . 51320 1 449 . 1 . 1 89 89 ILE HG12 H 1 1.124 0.020 . 2 . . . . . 393 ILE HG12 . 51320 1 450 . 1 . 1 89 89 ILE HG13 H 1 1.261 0.020 . 2 . . . . . 393 ILE HG13 . 51320 1 451 . 1 . 1 89 89 ILE HG21 H 1 0.642 0.020 . 1 . . . . . 393 ILE HG2 . 51320 1 452 . 1 . 1 89 89 ILE HG22 H 1 0.642 0.020 . 1 . . . . . 393 ILE HG2 . 51320 1 453 . 1 . 1 89 89 ILE HG23 H 1 0.642 0.020 . 1 . . . . . 393 ILE HG2 . 51320 1 454 . 1 . 1 89 89 ILE HD11 H 1 0.393 0.020 . 1 . . . . . 393 ILE HD1 . 51320 1 455 . 1 . 1 89 89 ILE HD12 H 1 0.393 0.020 . 1 . . . . . 393 ILE HD1 . 51320 1 456 . 1 . 1 89 89 ILE HD13 H 1 0.393 0.020 . 1 . . . . . 393 ILE HD1 . 51320 1 457 . 1 . 1 89 89 ILE CA C 13 61.218 0.3 . 1 . . . . . 393 ILE CA . 51320 1 458 . 1 . 1 89 89 ILE CB C 13 41.214 0.3 . 1 . . . . . 393 ILE CB . 51320 1 459 . 1 . 1 89 89 ILE CG1 C 13 25.539 0.3 . 1 . . . . . 393 ILE CG1 . 51320 1 460 . 1 . 1 89 89 ILE CG2 C 13 18.918 0.3 . 1 . . . . . 393 ILE CG2 . 51320 1 461 . 1 . 1 89 89 ILE CD1 C 13 12.454 0.3 . 1 . . . . . 393 ILE CD1 . 51320 1 462 . 1 . 1 90 90 HIS HA H 1 3.803 0.020 . 1 . . . . . 394 HIS HA . 51320 1 463 . 1 . 1 90 90 HIS HB2 H 1 2.590 0.020 . 2 . . . . . 394 HIS HB2 . 51320 1 464 . 1 . 1 90 90 HIS HB3 H 1 2.661 0.020 . 2 . . . . . 394 HIS HB3 . 51320 1 465 . 1 . 1 90 90 HIS CA C 13 53.958 0.3 . 1 . . . . . 394 HIS CA . 51320 1 466 . 1 . 1 91 91 LYS HA H 1 4.320 0.020 . 1 . . . . . 395 LYS HA . 51320 1 467 . 1 . 1 91 91 LYS HB2 H 1 2.173 0.020 . 1 . . . . . 395 LYS HB2 . 51320 1 468 . 1 . 1 91 91 LYS HB3 H 1 2.173 0.020 . 1 . . . . . 395 LYS HB3 . 51320 1 469 . 1 . 1 91 91 LYS HG2 H 1 0.999 0.020 . 1 . . . . . 395 LYS HG2 . 51320 1 470 . 1 . 1 91 91 LYS HG3 H 1 0.999 0.020 . 1 . . . . . 395 LYS HG3 . 51320 1 471 . 1 . 1 91 91 LYS HE2 H 1 2.787 0.020 . 1 . . . . . 395 LYS HE2 . 51320 1 472 . 1 . 1 91 91 LYS HE3 H 1 2.787 0.020 . 1 . . . . . 395 LYS HE3 . 51320 1 473 . 1 . 1 91 91 LYS C C 13 173.683 0.3 . 1 . . . . . 395 LYS C . 51320 1 474 . 1 . 1 91 91 LYS CA C 13 55.681 0.3 . 1 . . . . . 395 LYS CA . 51320 1 475 . 1 . 1 91 91 LYS CB C 13 36.230 0.3 . 1 . . . . . 395 LYS CB . 51320 1 476 . 1 . 1 91 91 LYS CG C 13 25.003 0.3 . 1 . . . . . 395 LYS CG . 51320 1 477 . 1 . 1 91 91 LYS CD C 13 41.839 0.3 . 1 . . . . . 395 LYS CD . 51320 1 478 . 1 . 1 91 91 LYS CE C 13 41.972 0.3 . 1 . . . . . 395 LYS CE . 51320 1 479 . 1 . 1 92 92 VAL H H 1 8.350 0.020 . 1 . . . . . 396 VAL H . 51320 1 480 . 1 . 1 92 92 VAL HA H 1 4.394 0.020 . 1 . . . . . 396 VAL HA . 51320 1 481 . 1 . 1 92 92 VAL HB H 1 1.708 0.020 . 1 . . . . . 396 VAL HB . 51320 1 482 . 1 . 1 92 92 VAL HG11 H 1 0.671 0.020 . 2 . . . . . 396 VAL HG1 . 51320 1 483 . 1 . 1 92 92 VAL HG12 H 1 0.671 0.020 . 2 . . . . . 396 VAL HG1 . 51320 1 484 . 1 . 1 92 92 VAL HG13 H 1 0.671 0.020 . 2 . . . . . 396 VAL HG1 . 51320 1 485 . 1 . 1 92 92 VAL HG21 H 1 0.462 0.020 . 2 . . . . . 396 VAL HG2 . 51320 1 486 . 1 . 1 92 92 VAL HG22 H 1 0.462 0.020 . 2 . . . . . 396 VAL HG2 . 51320 1 487 . 1 . 1 92 92 VAL HG23 H 1 0.462 0.020 . 2 . . . . . 396 VAL HG2 . 51320 1 488 . 1 . 1 92 92 VAL C C 13 174.893 0.3 . 1 . . . . . 396 VAL C . 51320 1 489 . 1 . 1 92 92 VAL CA C 13 60.890 0.3 . 1 . . . . . 396 VAL CA . 51320 1 490 . 1 . 1 92 92 VAL CB C 13 34.567 0.3 . 1 . . . . . 396 VAL CB . 51320 1 491 . 1 . 1 92 92 VAL CG1 C 13 20.661 0.3 . 1 . . . . . 396 VAL CG1 . 51320 1 492 . 1 . 1 92 92 VAL CG2 C 13 21.345 0.3 . 1 . . . . . 396 VAL CG2 . 51320 1 493 . 1 . 1 92 92 VAL N N 15 123.543 0.3 . 1 . . . . . 396 VAL N . 51320 1 494 . 1 . 1 93 93 ILE H H 1 8.507 0.020 . 1 . . . . . 397 ILE H . 51320 1 495 . 1 . 1 93 93 ILE HA H 1 3.887 0.020 . 1 . . . . . 397 ILE HA . 51320 1 496 . 1 . 1 93 93 ILE HB H 1 1.722 0.020 . 1 . . . . . 397 ILE HB . 51320 1 497 . 1 . 1 93 93 ILE HG12 H 1 1.162 0.020 . 2 . . . . . 397 ILE HG12 . 51320 1 498 . 1 . 1 93 93 ILE HG13 H 1 1.394 0.020 . 2 . . . . . 397 ILE HG13 . 51320 1 499 . 1 . 1 93 93 ILE HG21 H 1 0.955 0.020 . 1 . . . . . 397 ILE HG2 . 51320 1 500 . 1 . 1 93 93 ILE HG22 H 1 0.955 0.020 . 1 . . . . . 397 ILE HG2 . 51320 1 501 . 1 . 1 93 93 ILE HG23 H 1 0.955 0.020 . 1 . . . . . 397 ILE HG2 . 51320 1 502 . 1 . 1 93 93 ILE HD11 H 1 0.732 0.020 . 1 . . . . . 397 ILE HD1 . 51320 1 503 . 1 . 1 93 93 ILE HD12 H 1 0.732 0.020 . 1 . . . . . 397 ILE HD1 . 51320 1 504 . 1 . 1 93 93 ILE HD13 H 1 0.732 0.020 . 1 . . . . . 397 ILE HD1 . 51320 1 505 . 1 . 1 93 93 ILE C C 13 177.376 0.3 . 1 . . . . . 397 ILE C . 51320 1 506 . 1 . 1 93 93 ILE CA C 13 60.447 0.3 . 1 . . . . . 397 ILE CA . 51320 1 507 . 1 . 1 93 93 ILE CB C 13 37.193 0.3 . 1 . . . . . 397 ILE CB . 51320 1 508 . 1 . 1 93 93 ILE CG1 C 13 28.037 0.3 . 1 . . . . . 397 ILE CG1 . 51320 1 509 . 1 . 1 93 93 ILE CG2 C 13 16.865 0.3 . 1 . . . . . 397 ILE CG2 . 51320 1 510 . 1 . 1 93 93 ILE CD1 C 13 11.400 0.3 . 1 . . . . . 397 ILE CD1 . 51320 1 511 . 1 . 1 93 93 ILE N N 15 128.646 0.3 . 1 . . . . . 397 ILE N . 51320 1 512 . 1 . 1 94 94 LEU H H 1 8.765 0.020 . 1 . . . . . 398 LEU H . 51320 1 513 . 1 . 1 94 94 LEU HA H 1 3.307 0.020 . 1 . . . . . 398 LEU HA . 51320 1 514 . 1 . 1 94 94 LEU HB2 H 1 1.312 0.020 . 2 . . . . . 398 LEU HB2 . 51320 1 515 . 1 . 1 94 94 LEU HB3 H 1 1.515 0.020 . 2 . . . . . 398 LEU HB3 . 51320 1 516 . 1 . 1 94 94 LEU HG H 1 1.406 0.020 . 1 . . . . . 398 LEU HG . 51320 1 517 . 1 . 1 94 94 LEU HD11 H 1 0.529 0.020 . 2 . . . . . 398 LEU HD1 . 51320 1 518 . 1 . 1 94 94 LEU HD12 H 1 0.529 0.020 . 2 . . . . . 398 LEU HD1 . 51320 1 519 . 1 . 1 94 94 LEU HD13 H 1 0.529 0.020 . 2 . . . . . 398 LEU HD1 . 51320 1 520 . 1 . 1 94 94 LEU HD21 H 1 0.677 0.020 . 2 . . . . . 398 LEU HD2 . 51320 1 521 . 1 . 1 94 94 LEU HD22 H 1 0.677 0.020 . 2 . . . . . 398 LEU HD2 . 51320 1 522 . 1 . 1 94 94 LEU HD23 H 1 0.677 0.020 . 2 . . . . . 398 LEU HD2 . 51320 1 523 . 1 . 1 94 94 LEU C C 13 178.107 0.3 . 1 . . . . . 398 LEU C . 51320 1 524 . 1 . 1 94 94 LEU CA C 13 56.852 0.3 . 1 . . . . . 398 LEU CA . 51320 1 525 . 1 . 1 94 94 LEU CB C 13 40.682 0.3 . 1 . . . . . 398 LEU CB . 51320 1 526 . 1 . 1 94 94 LEU CG C 13 26.582 0.3 . 1 . . . . . 398 LEU CG . 51320 1 527 . 1 . 1 94 94 LEU CD1 C 13 22.934 0.3 . 1 . . . . . 398 LEU CD1 . 51320 1 528 . 1 . 1 94 94 LEU CD2 C 13 24.305 0.3 . 1 . . . . . 398 LEU CD2 . 51320 1 529 . 1 . 1 94 94 LEU N N 15 133.870 0.3 . 1 . . . . . 398 LEU N . 51320 1 530 . 1 . 1 95 95 GLY H H 1 8.735 0.020 . 1 . . . . . 399 GLY H . 51320 1 531 . 1 . 1 95 95 GLY HA2 H 1 4.182 0.020 . 2 . . . . . 399 GLY HA2 . 51320 1 532 . 1 . 1 95 95 GLY HA3 H 1 3.833 0.020 . 2 . . . . . 399 GLY HA3 . 51320 1 533 . 1 . 1 95 95 GLY C C 13 173.532 0.3 . 1 . . . . . 399 GLY C . 51320 1 534 . 1 . 1 95 95 GLY CA C 13 45.195 0.3 . 1 . . . . . 399 GLY CA . 51320 1 535 . 1 . 1 95 95 GLY N N 15 113.770 0.3 . 1 . . . . . 399 GLY N . 51320 1 536 . 1 . 1 96 96 SER H H 1 7.635 0.020 . 1 . . . . . 400 SER H . 51320 1 537 . 1 . 1 96 96 SER HA H 1 4.341 0.020 . 1 . . . . . 400 SER HA . 51320 1 538 . 1 . 1 96 96 SER HB2 H 1 3.772 0.020 . 1 . . . . . 400 SER HB2 . 51320 1 539 . 1 . 1 96 96 SER HB3 H 1 3.772 0.020 . 1 . . . . . 400 SER HB3 . 51320 1 540 . 1 . 1 96 96 SER C C 13 173.116 0.3 . 1 . . . . . 400 SER C . 51320 1 541 . 1 . 1 96 96 SER CA C 13 58.090 0.3 . 1 . . . . . 400 SER CA . 51320 1 542 . 1 . 1 96 96 SER CB C 13 63.284 0.3 . 1 . . . . . 400 SER CB . 51320 1 543 . 1 . 1 96 96 SER N N 15 116.482 0.3 . 1 . . . . . 400 SER N . 51320 1 544 . 1 . 1 97 97 PRO HA H 1 4.133 0.020 . 1 . . . . . 401 PRO HA . 51320 1 545 . 1 . 1 97 97 PRO HB2 H 1 1.980 0.020 . 2 . . . . . 401 PRO HB2 . 51320 1 546 . 1 . 1 97 97 PRO HB3 H 1 2.767 0.020 . 2 . . . . . 401 PRO HB3 . 51320 1 547 . 1 . 1 97 97 PRO HG2 H 1 1.548 0.020 . 2 . . . . . 401 PRO HG2 . 51320 1 548 . 1 . 1 97 97 PRO HG3 H 1 1.748 0.020 . 2 . . . . . 401 PRO HG3 . 51320 1 549 . 1 . 1 97 97 PRO HD2 H 1 3.652 0.020 . 2 . . . . . 401 PRO HD2 . 51320 1 550 . 1 . 1 97 97 PRO HD3 H 1 3.926 0.020 . 2 . . . . . 401 PRO HD3 . 51320 1 551 . 1 . 1 97 97 PRO C C 13 179.476 0.3 . 1 . . . . . 401 PRO C . 51320 1 552 . 1 . 1 97 97 PRO CA C 13 66.045 0.3 . 1 . . . . . 401 PRO CA . 51320 1 553 . 1 . 1 97 97 PRO CB C 13 32.690 0.3 . 1 . . . . . 401 PRO CB . 51320 1 554 . 1 . 1 97 97 PRO CG C 13 28.194 0.3 . 1 . . . . . 401 PRO CG . 51320 1 555 . 1 . 1 97 97 PRO CD C 13 51.110 0.3 . 1 . . . . . 401 PRO CD . 51320 1 556 . 1 . 1 98 98 ALA H H 1 8.561 0.020 . 1 . . . . . 402 ALA H . 51320 1 557 . 1 . 1 98 98 ALA HA H 1 3.747 0.020 . 1 . . . . . 402 ALA HA . 51320 1 558 . 1 . 1 98 98 ALA HB1 H 1 1.111 0.020 . 1 . . . . . 402 ALA HB . 51320 1 559 . 1 . 1 98 98 ALA HB2 H 1 1.111 0.020 . 1 . . . . . 402 ALA HB . 51320 1 560 . 1 . 1 98 98 ALA HB3 H 1 1.111 0.020 . 1 . . . . . 402 ALA HB . 51320 1 561 . 1 . 1 98 98 ALA C C 13 177.430 0.3 . 1 . . . . . 402 ALA C . 51320 1 562 . 1 . 1 98 98 ALA CA C 13 55.014 0.3 . 1 . . . . . 402 ALA CA . 51320 1 563 . 1 . 1 98 98 ALA CB C 13 20.347 0.3 . 1 . . . . . 402 ALA CB . 51320 1 564 . 1 . 1 98 98 ALA N N 15 118.184 0.3 . 1 . . . . . 402 ALA N . 51320 1 565 . 1 . 1 99 99 HIS H H 1 7.615 0.020 . 1 . . . . . 403 HIS H . 51320 1 566 . 1 . 1 99 99 HIS HA H 1 4.068 0.020 . 1 . . . . . 403 HIS HA . 51320 1 567 . 1 . 1 99 99 HIS HB2 H 1 3.263 0.020 . 2 . . . . . 403 HIS HB2 . 51320 1 568 . 1 . 1 99 99 HIS HB3 H 1 3.322 0.020 . 2 . . . . . 403 HIS HB3 . 51320 1 569 . 1 . 1 99 99 HIS C C 13 180.119 0.3 . 1 . . . . . 403 HIS C . 51320 1 570 . 1 . 1 99 99 HIS CA C 13 59.528 0.3 . 1 . . . . . 403 HIS CA . 51320 1 571 . 1 . 1 99 99 HIS CB C 13 32.263 0.3 . 1 . . . . . 403 HIS CB . 51320 1 572 . 1 . 1 99 99 HIS N N 15 120.446 0.3 . 1 . . . . . 403 HIS N . 51320 1 573 . 1 . 1 100 100 ARG H H 1 8.520 0.020 . 1 . . . . . 404 ARG H . 51320 1 574 . 1 . 1 100 100 ARG HA H 1 3.773 0.020 . 1 . . . . . 404 ARG HA . 51320 1 575 . 1 . 1 100 100 ARG HB2 H 1 1.798 0.020 . 1 . . . . . 404 ARG HB2 . 51320 1 576 . 1 . 1 100 100 ARG HB3 H 1 1.798 0.020 . 1 . . . . . 404 ARG HB3 . 51320 1 577 . 1 . 1 100 100 ARG HG2 H 1 1.626 0.020 . 1 . . . . . 404 ARG HG2 . 51320 1 578 . 1 . 1 100 100 ARG HG3 H 1 1.626 0.020 . 1 . . . . . 404 ARG HG3 . 51320 1 579 . 1 . 1 100 100 ARG HD2 H 1 3.083 0.020 . 1 . . . . . 404 ARG HD2 . 51320 1 580 . 1 . 1 100 100 ARG HD3 H 1 3.083 0.020 . 1 . . . . . 404 ARG HD3 . 51320 1 581 . 1 . 1 100 100 ARG C C 13 177.793 0.3 . 1 . . . . . 404 ARG C . 51320 1 582 . 1 . 1 100 100 ARG CA C 13 59.126 0.3 . 1 . . . . . 404 ARG CA . 51320 1 583 . 1 . 1 100 100 ARG CB C 13 30.304 0.3 . 1 . . . . . 404 ARG CB . 51320 1 584 . 1 . 1 100 100 ARG CG C 13 28.536 0.3 . 1 . . . . . 404 ARG CG . 51320 1 585 . 1 . 1 100 100 ARG CD C 13 43.275 0.3 . 1 . . . . . 404 ARG CD . 51320 1 586 . 1 . 1 100 100 ARG N N 15 120.345 0.3 . 1 . . . . . 404 ARG N . 51320 1 587 . 1 . 1 101 101 ALA H H 1 7.601 0.020 . 1 . . . . . 405 ALA H . 51320 1 588 . 1 . 1 101 101 ALA HA H 1 4.262 0.020 . 1 . . . . . 405 ALA HA . 51320 1 589 . 1 . 1 101 101 ALA HB1 H 1 1.427 0.020 . 1 . . . . . 405 ALA HB . 51320 1 590 . 1 . 1 101 101 ALA HB2 H 1 1.427 0.020 . 1 . . . . . 405 ALA HB . 51320 1 591 . 1 . 1 101 101 ALA HB3 H 1 1.427 0.020 . 1 . . . . . 405 ALA HB . 51320 1 592 . 1 . 1 101 101 ALA C C 13 177.573 0.3 . 1 . . . . . 405 ALA C . 51320 1 593 . 1 . 1 101 101 ALA CA C 13 52.838 0.3 . 1 . . . . . 405 ALA CA . 51320 1 594 . 1 . 1 101 101 ALA CB C 13 21.100 0.3 . 1 . . . . . 405 ALA CB . 51320 1 595 . 1 . 1 101 101 ALA N N 15 118.748 0.3 . 1 . . . . . 405 ALA N . 51320 1 596 . 1 . 1 102 102 GLY H H 1 7.261 0.020 . 1 . . . . . 406 GLY H . 51320 1 597 . 1 . 1 102 102 GLY HA2 H 1 3.545 0.020 . 2 . . . . . 406 GLY HA2 . 51320 1 598 . 1 . 1 102 102 GLY HA3 H 1 4.288 0.020 . 2 . . . . . 406 GLY HA3 . 51320 1 599 . 1 . 1 102 102 GLY C C 13 175.386 0.3 . 1 . . . . . 406 GLY C . 51320 1 600 . 1 . 1 102 102 GLY CA C 13 44.543 0.3 . 1 . . . . . 406 GLY CA . 51320 1 601 . 1 . 1 102 102 GLY N N 15 102.240 0.3 . 1 . . . . . 406 GLY N . 51320 1 602 . 1 . 1 103 103 LEU H H 1 7.529 0.020 . 1 . . . . . 407 LEU H . 51320 1 603 . 1 . 1 103 103 LEU HA H 1 3.896 0.020 . 1 . . . . . 407 LEU HA . 51320 1 604 . 1 . 1 103 103 LEU HB2 H 1 1.030 0.020 . 2 . . . . . 407 LEU HB2 . 51320 1 605 . 1 . 1 103 103 LEU HB3 H 1 1.389 0.020 . 2 . . . . . 407 LEU HB3 . 51320 1 606 . 1 . 1 103 103 LEU HG H 1 1.373 0.020 . 1 . . . . . 407 LEU HG . 51320 1 607 . 1 . 1 103 103 LEU HD11 H 1 0.608 0.020 . 2 . . . . . 407 LEU HD1 . 51320 1 608 . 1 . 1 103 103 LEU HD12 H 1 0.608 0.020 . 2 . . . . . 407 LEU HD1 . 51320 1 609 . 1 . 1 103 103 LEU HD13 H 1 0.608 0.020 . 2 . . . . . 407 LEU HD1 . 51320 1 610 . 1 . 1 103 103 LEU HD21 H 1 0.678 0.020 . 2 . . . . . 407 LEU HD2 . 51320 1 611 . 1 . 1 103 103 LEU HD22 H 1 0.678 0.020 . 2 . . . . . 407 LEU HD2 . 51320 1 612 . 1 . 1 103 103 LEU HD23 H 1 0.678 0.020 . 2 . . . . . 407 LEU HD2 . 51320 1 613 . 1 . 1 103 103 LEU C C 13 175.440 0.3 . 1 . . . . . 407 LEU C . 51320 1 614 . 1 . 1 103 103 LEU CA C 13 55.782 0.3 . 1 . . . . . 407 LEU CA . 51320 1 615 . 1 . 1 103 103 LEU CB C 13 41.836 0.3 . 1 . . . . . 407 LEU CB . 51320 1 616 . 1 . 1 103 103 LEU CG C 13 27.217 0.3 . 1 . . . . . 407 LEU CG . 51320 1 617 . 1 . 1 103 103 LEU CD1 C 13 25.184 0.3 . 1 . . . . . 407 LEU CD1 . 51320 1 618 . 1 . 1 103 103 LEU CD2 C 13 25.077 0.3 . 1 . . . . . 407 LEU CD2 . 51320 1 619 . 1 . 1 103 103 LEU N N 15 121.840 0.3 . 1 . . . . . 407 LEU N . 51320 1 620 . 1 . 1 104 104 ARG H H 1 8.874 0.020 . 1 . . . . . 408 ARG H . 51320 1 621 . 1 . 1 104 104 ARG HA H 1 4.697 0.020 . 1 . . . . . 408 ARG HA . 51320 1 622 . 1 . 1 104 104 ARG HB2 H 1 1.411 0.020 . 2 . . . . . 408 ARG HB2 . 51320 1 623 . 1 . 1 104 104 ARG HB3 H 1 1.615 0.020 . 2 . . . . . 408 ARG HB3 . 51320 1 624 . 1 . 1 104 104 ARG HG2 H 1 1.481 0.020 . 1 . . . . . 408 ARG HG2 . 51320 1 625 . 1 . 1 104 104 ARG HG3 H 1 1.481 0.020 . 1 . . . . . 408 ARG HG3 . 51320 1 626 . 1 . 1 104 104 ARG HD2 H 1 2.844 0.020 . 2 . . . . . 408 ARG HD2 . 51320 1 627 . 1 . 1 104 104 ARG HD3 H 1 3.065 0.020 . 2 . . . . . 408 ARG HD3 . 51320 1 628 . 1 . 1 104 104 ARG C C 13 172.755 0.3 . 1 . . . . . 408 ARG C . 51320 1 629 . 1 . 1 104 104 ARG CA C 13 52.772 0.3 . 1 . . . . . 408 ARG CA . 51320 1 630 . 1 . 1 104 104 ARG CB C 13 32.799 0.3 . 1 . . . . . 408 ARG CB . 51320 1 631 . 1 . 1 104 104 ARG CG C 13 26.103 0.3 . 1 . . . . . 408 ARG CG . 51320 1 632 . 1 . 1 104 104 ARG CD C 13 43.832 0.3 . 1 . . . . . 408 ARG CD . 51320 1 633 . 1 . 1 104 104 ARG N N 15 121.487 0.3 . 1 . . . . . 408 ARG N . 51320 1 634 . 1 . 1 105 105 PRO HA H 1 4.182 0.020 . 1 . . . . . 409 PRO HA . 51320 1 635 . 1 . 1 105 105 PRO HB2 H 1 1.898 0.020 . 2 . . . . . 409 PRO HB2 . 51320 1 636 . 1 . 1 105 105 PRO HB3 H 1 2.380 0.020 . 2 . . . . . 409 PRO HB3 . 51320 1 637 . 1 . 1 105 105 PRO HG2 H 1 1.980 0.020 . 2 . . . . . 409 PRO HG2 . 51320 1 638 . 1 . 1 105 105 PRO HG3 H 1 2.206 0.020 . 2 . . . . . 409 PRO HG3 . 51320 1 639 . 1 . 1 105 105 PRO HD2 H 1 3.502 0.020 . 1 . . . . . 409 PRO HD2 . 51320 1 640 . 1 . 1 105 105 PRO HD3 H 1 3.502 0.020 . 1 . . . . . 409 PRO HD3 . 51320 1 641 . 1 . 1 105 105 PRO CA C 13 66.386 0.3 . 1 . . . . . 409 PRO CA . 51320 1 642 . 1 . 1 105 105 PRO CB C 13 31.824 0.3 . 1 . . . . . 409 PRO CB . 51320 1 643 . 1 . 1 105 105 PRO CG C 13 28.094 0.3 . 1 . . . . . 409 PRO CG . 51320 1 644 . 1 . 1 105 105 PRO CD C 13 50.453 0.3 . 1 . . . . . 409 PRO CD . 51320 1 645 . 1 . 1 106 106 GLY HA2 H 1 3.892 0.020 . 1 . . . . . 410 GLY HA2 . 51320 1 646 . 1 . 1 106 106 GLY HA3 H 1 3.892 0.020 . 1 . . . . . 410 GLY HA3 . 51320 1 647 . 1 . 1 106 106 GLY C C 13 173.450 0.3 . 1 . . . . . 410 GLY C . 51320 1 648 . 1 . 1 106 106 GLY CA C 13 45.148 0.3 . 1 . . . . . 410 GLY CA . 51320 1 649 . 1 . 1 107 107 ASP H H 1 7.588 0.020 . 1 . . . . . 411 ASP H . 51320 1 650 . 1 . 1 107 107 ASP HA H 1 4.544 0.020 . 1 . . . . . 411 ASP HA . 51320 1 651 . 1 . 1 107 107 ASP HB2 H 1 2.785 0.020 . 1 . . . . . 411 ASP HB2 . 51320 1 652 . 1 . 1 107 107 ASP HB3 H 1 2.785 0.020 . 1 . . . . . 411 ASP HB3 . 51320 1 653 . 1 . 1 107 107 ASP C C 13 175.036 0.3 . 1 . . . . . 411 ASP C . 51320 1 654 . 1 . 1 107 107 ASP CA C 13 55.235 0.3 . 1 . . . . . 411 ASP CA . 51320 1 655 . 1 . 1 107 107 ASP CB C 13 41.878 0.3 . 1 . . . . . 411 ASP CB . 51320 1 656 . 1 . 1 107 107 ASP N N 15 122.861 0.3 . 1 . . . . . 411 ASP N . 51320 1 657 . 1 . 1 108 108 VAL H H 1 7.973 0.020 . 1 . . . . . 412 VAL H . 51320 1 658 . 1 . 1 108 108 VAL HA H 1 4.677 0.020 . 1 . . . . . 412 VAL HA . 51320 1 659 . 1 . 1 108 108 VAL HB H 1 1.800 0.020 . 1 . . . . . 412 VAL HB . 51320 1 660 . 1 . 1 108 108 VAL HG11 H 1 0.636 0.020 . 2 . . . . . 412 VAL HG1 . 51320 1 661 . 1 . 1 108 108 VAL HG12 H 1 0.636 0.020 . 2 . . . . . 412 VAL HG1 . 51320 1 662 . 1 . 1 108 108 VAL HG13 H 1 0.636 0.020 . 2 . . . . . 412 VAL HG1 . 51320 1 663 . 1 . 1 108 108 VAL HG21 H 1 0.751 0.020 . 2 . . . . . 412 VAL HG2 . 51320 1 664 . 1 . 1 108 108 VAL HG22 H 1 0.751 0.020 . 2 . . . . . 412 VAL HG2 . 51320 1 665 . 1 . 1 108 108 VAL HG23 H 1 0.751 0.020 . 2 . . . . . 412 VAL HG2 . 51320 1 666 . 1 . 1 108 108 VAL C C 13 176.067 0.3 . 1 . . . . . 412 VAL C . 51320 1 667 . 1 . 1 108 108 VAL CA C 13 60.470 0.3 . 1 . . . . . 412 VAL CA . 51320 1 668 . 1 . 1 108 108 VAL CB C 13 34.151 0.3 . 1 . . . . . 412 VAL CB . 51320 1 669 . 1 . 1 108 108 VAL CG1 C 13 21.645 0.3 . 1 . . . . . 412 VAL CG1 . 51320 1 670 . 1 . 1 108 108 VAL CG2 C 13 22.083 0.3 . 1 . . . . . 412 VAL CG2 . 51320 1 671 . 1 . 1 108 108 VAL N N 15 120.164 0.3 . 1 . . . . . 412 VAL N . 51320 1 672 . 1 . 1 109 109 ILE H H 1 9.364 0.020 . 1 . . . . . 413 ILE H . 51320 1 673 . 1 . 1 109 109 ILE HA H 1 3.985 0.020 . 1 . . . . . 413 ILE HA . 51320 1 674 . 1 . 1 109 109 ILE HB H 1 1.602 0.020 . 1 . . . . . 413 ILE HB . 51320 1 675 . 1 . 1 109 109 ILE HG12 H 1 0.544 0.020 . 1 . . . . . 413 ILE HG12 . 51320 1 676 . 1 . 1 109 109 ILE HG21 H 1 0.635 0.020 . 1 . . . . . 413 ILE HG2 . 51320 1 677 . 1 . 1 109 109 ILE HG22 H 1 0.635 0.020 . 1 . . . . . 413 ILE HG2 . 51320 1 678 . 1 . 1 109 109 ILE HG23 H 1 0.635 0.020 . 1 . . . . . 413 ILE HG2 . 51320 1 679 . 1 . 1 109 109 ILE HD11 H 1 0.559 0.020 . 1 . . . . . 413 ILE HD1 . 51320 1 680 . 1 . 1 109 109 ILE HD12 H 1 0.559 0.020 . 1 . . . . . 413 ILE HD1 . 51320 1 681 . 1 . 1 109 109 ILE HD13 H 1 0.559 0.020 . 1 . . . . . 413 ILE HD1 . 51320 1 682 . 1 . 1 109 109 ILE C C 13 174.830 0.3 . 1 . . . . . 413 ILE C . 51320 1 683 . 1 . 1 109 109 ILE CA C 13 62.354 0.3 . 1 . . . . . 413 ILE CA . 51320 1 684 . 1 . 1 109 109 ILE CB C 13 38.904 0.3 . 1 . . . . . 413 ILE CB . 51320 1 685 . 1 . 1 109 109 ILE CG2 C 13 17.425 0.3 . 1 . . . . . 413 ILE CG2 . 51320 1 686 . 1 . 1 109 109 ILE CD1 C 13 13.447 0.3 . 1 . . . . . 413 ILE CD1 . 51320 1 687 . 1 . 1 109 109 ILE N N 15 126.871 0.3 . 1 . . . . . 413 ILE N . 51320 1 688 . 1 . 1 110 110 LEU H H 1 8.779 0.020 . 1 . . . . . 414 LEU H . 51320 1 689 . 1 . 1 110 110 LEU HA H 1 4.557 0.020 . 1 . . . . . 414 LEU HA . 51320 1 690 . 1 . 1 110 110 LEU HB2 H 1 1.428 0.020 . 1 . . . . . 414 LEU HB2 . 51320 1 691 . 1 . 1 110 110 LEU HB3 H 1 1.428 0.020 . 1 . . . . . 414 LEU HB3 . 51320 1 692 . 1 . 1 110 110 LEU HG H 1 1.422 0.020 . 1 . . . . . 414 LEU HG . 51320 1 693 . 1 . 1 110 110 LEU HD11 H 1 0.697 0.020 . 2 . . . . . 414 LEU HD1 . 51320 1 694 . 1 . 1 110 110 LEU HD12 H 1 0.697 0.020 . 2 . . . . . 414 LEU HD1 . 51320 1 695 . 1 . 1 110 110 LEU HD13 H 1 0.697 0.020 . 2 . . . . . 414 LEU HD1 . 51320 1 696 . 1 . 1 110 110 LEU HD21 H 1 0.564 0.020 . 2 . . . . . 414 LEU HD2 . 51320 1 697 . 1 . 1 110 110 LEU HD22 H 1 0.564 0.020 . 2 . . . . . 414 LEU HD2 . 51320 1 698 . 1 . 1 110 110 LEU HD23 H 1 0.564 0.020 . 2 . . . . . 414 LEU HD2 . 51320 1 699 . 1 . 1 110 110 LEU C C 13 178.183 0.3 . 1 . . . . . 414 LEU C . 51320 1 700 . 1 . 1 110 110 LEU CA C 13 54.487 0.3 . 1 . . . . . 414 LEU CA . 51320 1 701 . 1 . 1 110 110 LEU CB C 13 44.347 0.3 . 1 . . . . . 414 LEU CB . 51320 1 702 . 1 . 1 110 110 LEU CG C 13 26.341 0.3 . 1 . . . . . 414 LEU CG . 51320 1 703 . 1 . 1 110 110 LEU CD1 C 13 26.057 0.3 . 1 . . . . . 414 LEU CD1 . 51320 1 704 . 1 . 1 110 110 LEU CD2 C 13 22.845 0.3 . 1 . . . . . 414 LEU CD2 . 51320 1 705 . 1 . 1 110 110 LEU N N 15 125.562 0.3 . 1 . . . . . 414 LEU N . 51320 1 706 . 1 . 1 111 111 ALA H H 1 7.690 0.020 . 1 . . . . . 415 ALA H . 51320 1 707 . 1 . 1 111 111 ALA HA H 1 4.905 0.020 . 1 . . . . . 415 ALA HA . 51320 1 708 . 1 . 1 111 111 ALA HB1 H 1 1.117 0.020 . 1 . . . . . 415 ALA HB . 51320 1 709 . 1 . 1 111 111 ALA HB2 H 1 1.117 0.020 . 1 . . . . . 415 ALA HB . 51320 1 710 . 1 . 1 111 111 ALA HB3 H 1 1.117 0.020 . 1 . . . . . 415 ALA HB . 51320 1 711 . 1 . 1 111 111 ALA C C 13 175.171 0.3 . 1 . . . . . 415 ALA C . 51320 1 712 . 1 . 1 111 111 ALA CA C 13 51.919 0.3 . 1 . . . . . 415 ALA CA . 51320 1 713 . 1 . 1 111 111 ALA CB C 13 22.049 0.3 . 1 . . . . . 415 ALA CB . 51320 1 714 . 1 . 1 111 111 ALA N N 15 120.242 0.3 . 1 . . . . . 415 ALA N . 51320 1 715 . 1 . 1 112 112 ILE H H 1 8.309 0.020 . 1 . . . . . 416 ILE H . 51320 1 716 . 1 . 1 112 112 ILE HA H 1 4.678 0.020 . 1 . . . . . 416 ILE HA . 51320 1 717 . 1 . 1 112 112 ILE HB H 1 1.596 0.020 . 1 . . . . . 416 ILE HB . 51320 1 718 . 1 . 1 112 112 ILE HG12 H 1 0.905 0.020 . 1 . . . . . 416 ILE HG12 . 51320 1 719 . 1 . 1 112 112 ILE HG21 H 1 0.710 0.020 . 1 . . . . . 416 ILE HG2 . 51320 1 720 . 1 . 1 112 112 ILE HG22 H 1 0.710 0.020 . 1 . . . . . 416 ILE HG2 . 51320 1 721 . 1 . 1 112 112 ILE HG23 H 1 0.710 0.020 . 1 . . . . . 416 ILE HG2 . 51320 1 722 . 1 . 1 112 112 ILE HD11 H 1 0.691 0.020 . 1 . . . . . 416 ILE HD1 . 51320 1 723 . 1 . 1 112 112 ILE HD12 H 1 0.691 0.020 . 1 . . . . . 416 ILE HD1 . 51320 1 724 . 1 . 1 112 112 ILE HD13 H 1 0.691 0.020 . 1 . . . . . 416 ILE HD1 . 51320 1 725 . 1 . 1 112 112 ILE C C 13 177.179 0.3 . 1 . . . . . 416 ILE C . 51320 1 726 . 1 . 1 112 112 ILE CA C 13 59.483 0.3 . 1 . . . . . 416 ILE CA . 51320 1 727 . 1 . 1 112 112 ILE CB C 13 38.959 0.3 . 1 . . . . . 416 ILE CB . 51320 1 728 . 1 . 1 112 112 ILE CG2 C 13 18.113 0.3 . 1 . . . . . 416 ILE CG2 . 51320 1 729 . 1 . 1 112 112 ILE CD1 C 13 14.106 0.3 . 1 . . . . . 416 ILE CD1 . 51320 1 730 . 1 . 1 112 112 ILE N N 15 119.960 0.3 . 1 . . . . . 416 ILE N . 51320 1 731 . 1 . 1 113 113 GLY H H 1 9.440 0.020 . 1 . . . . . 417 GLY H . 51320 1 732 . 1 . 1 113 113 GLY HA2 H 1 3.993 0.020 . 2 . . . . . 417 GLY HA2 . 51320 1 733 . 1 . 1 113 113 GLY HA3 H 1 3.747 0.020 . 2 . . . . . 417 GLY HA3 . 51320 1 734 . 1 . 1 113 113 GLY C C 13 174.997 0.3 . 1 . . . . . 417 GLY C . 51320 1 735 . 1 . 1 113 113 GLY CA C 13 47.421 0.3 . 1 . . . . . 417 GLY CA . 51320 1 736 . 1 . 1 113 113 GLY N N 15 120.673 0.3 . 1 . . . . . 417 GLY N . 51320 1 737 . 1 . 1 114 114 GLU HA H 1 4.042 0.020 . 1 . . . . . 418 GLU HA . 51320 1 738 . 1 . 1 114 114 GLU HB2 H 1 2.169 0.020 . 1 . . . . . 418 GLU HB2 . 51320 1 739 . 1 . 1 114 114 GLU HB3 H 1 2.169 0.020 . 1 . . . . . 418 GLU HB3 . 51320 1 740 . 1 . 1 114 114 GLU HG2 H 1 2.083 0.020 . 2 . . . . . 418 GLU HG2 . 51320 1 741 . 1 . 1 114 114 GLU HG3 H 1 2.165 0.020 . 2 . . . . . 418 GLU HG3 . 51320 1 742 . 1 . 1 114 114 GLU C C 13 175.314 0.3 . 1 . . . . . 418 GLU C . 51320 1 743 . 1 . 1 114 114 GLU CA C 13 56.386 0.3 . 1 . . . . . 418 GLU CA . 51320 1 744 . 1 . 1 114 114 GLU CB C 13 29.138 0.3 . 1 . . . . . 418 GLU CB . 51320 1 745 . 1 . 1 114 114 GLU CG C 13 36.429 0.3 . 1 . . . . . 418 GLU CG . 51320 1 746 . 1 . 1 115 115 GLN H H 1 7.867 0.020 . 1 . . . . . 419 GLN H . 51320 1 747 . 1 . 1 115 115 GLN HA H 1 4.383 0.020 . 1 . . . . . 419 GLN HA . 51320 1 748 . 1 . 1 115 115 GLN HB2 H 1 1.949 0.020 . 2 . . . . . 419 GLN HB2 . 51320 1 749 . 1 . 1 115 115 GLN HB3 H 1 2.118 0.020 . 2 . . . . . 419 GLN HB3 . 51320 1 750 . 1 . 1 115 115 GLN HG2 H 1 2.241 0.020 . 1 . . . . . 419 GLN HG2 . 51320 1 751 . 1 . 1 115 115 GLN HG3 H 1 2.241 0.020 . 1 . . . . . 419 GLN HG3 . 51320 1 752 . 1 . 1 115 115 GLN C C 13 174.839 0.3 . 1 . . . . . 419 GLN C . 51320 1 753 . 1 . 1 115 115 GLN CA C 13 54.338 0.3 . 1 . . . . . 419 GLN CA . 51320 1 754 . 1 . 1 115 115 GLN CB C 13 29.776 0.3 . 1 . . . . . 419 GLN CB . 51320 1 755 . 1 . 1 115 115 GLN CG C 13 33.081 0.3 . 1 . . . . . 419 GLN CG . 51320 1 756 . 1 . 1 115 115 GLN N N 15 121.205 0.3 . 1 . . . . . 419 GLN N . 51320 1 757 . 1 . 1 116 116 MET H H 1 8.527 0.020 . 1 . . . . . 420 MET H . 51320 1 758 . 1 . 1 116 116 MET HA H 1 4.375 0.020 . 1 . . . . . 420 MET HA . 51320 1 759 . 1 . 1 116 116 MET HB2 H 1 1.776 0.020 . 2 . . . . . 420 MET HB2 . 51320 1 760 . 1 . 1 116 116 MET HB3 H 1 1.910 0.020 . 2 . . . . . 420 MET HB3 . 51320 1 761 . 1 . 1 116 116 MET HG2 H 1 2.280 0.020 . 2 . . . . . 420 MET HG2 . 51320 1 762 . 1 . 1 116 116 MET HG3 H 1 2.479 0.020 . 2 . . . . . 420 MET HG3 . 51320 1 763 . 1 . 1 116 116 MET C C 13 176.211 0.3 . 1 . . . . . 420 MET C . 51320 1 764 . 1 . 1 116 116 MET CA C 13 56.049 0.3 . 1 . . . . . 420 MET CA . 51320 1 765 . 1 . 1 116 116 MET CB C 13 32.679 0.3 . 1 . . . . . 420 MET CB . 51320 1 766 . 1 . 1 116 116 MET CG C 13 31.778 0.3 . 1 . . . . . 420 MET CG . 51320 1 767 . 1 . 1 116 116 MET N N 15 126.413 0.3 . 1 . . . . . 420 MET N . 51320 1 768 . 1 . 1 117 117 VAL H H 1 7.881 0.020 . 1 . . . . . 421 VAL H . 51320 1 769 . 1 . 1 117 117 VAL HA H 1 4.259 0.020 . 1 . . . . . 421 VAL HA . 51320 1 770 . 1 . 1 117 117 VAL HB H 1 1.645 0.020 . 1 . . . . . 421 VAL HB . 51320 1 771 . 1 . 1 117 117 VAL HG11 H 1 0.679 0.020 . 2 . . . . . 421 VAL HG1 . 51320 1 772 . 1 . 1 117 117 VAL HG12 H 1 0.679 0.020 . 2 . . . . . 421 VAL HG1 . 51320 1 773 . 1 . 1 117 117 VAL HG13 H 1 0.679 0.020 . 2 . . . . . 421 VAL HG1 . 51320 1 774 . 1 . 1 117 117 VAL HG21 H 1 0.625 0.020 . 2 . . . . . 421 VAL HG2 . 51320 1 775 . 1 . 1 117 117 VAL HG22 H 1 0.625 0.020 . 2 . . . . . 421 VAL HG2 . 51320 1 776 . 1 . 1 117 117 VAL HG23 H 1 0.625 0.020 . 2 . . . . . 421 VAL HG2 . 51320 1 777 . 1 . 1 117 117 VAL C C 13 174.006 0.3 . 1 . . . . . 421 VAL C . 51320 1 778 . 1 . 1 117 117 VAL CA C 13 61.141 0.3 . 1 . . . . . 421 VAL CA . 51320 1 779 . 1 . 1 117 117 VAL CB C 13 33.290 0.3 . 1 . . . . . 421 VAL CB . 51320 1 780 . 1 . 1 117 117 VAL CG1 C 13 22.369 0.3 . 1 . . . . . 421 VAL CG1 . 51320 1 781 . 1 . 1 117 117 VAL CG2 C 13 20.945 0.3 . 1 . . . . . 421 VAL CG2 . 51320 1 782 . 1 . 1 117 117 VAL N N 15 123.056 0.3 . 1 . . . . . 421 VAL N . 51320 1 783 . 1 . 1 118 118 GLN H H 1 9.099 0.020 . 1 . . . . . 422 GLN H . 51320 1 784 . 1 . 1 118 118 GLN HA H 1 4.483 0.020 . 1 . . . . . 422 GLN HA . 51320 1 785 . 1 . 1 118 118 GLN HB2 H 1 2.078 0.020 . 1 . . . . . 422 GLN HB2 . 51320 1 786 . 1 . 1 118 118 GLN HB3 H 1 2.078 0.020 . 1 . . . . . 422 GLN HB3 . 51320 1 787 . 1 . 1 118 118 GLN HG2 H 1 2.026 0.020 . 1 . . . . . 422 GLN HG2 . 51320 1 788 . 1 . 1 118 118 GLN HG3 H 1 2.026 0.020 . 1 . . . . . 422 GLN HG3 . 51320 1 789 . 1 . 1 118 118 GLN C C 13 175.422 0.3 . 1 . . . . . 422 GLN C . 51320 1 790 . 1 . 1 118 118 GLN CA C 13 55.231 0.3 . 1 . . . . . 422 GLN CA . 51320 1 791 . 1 . 1 118 118 GLN CB C 13 31.050 0.3 . 1 . . . . . 422 GLN CB . 51320 1 792 . 1 . 1 118 118 GLN CG C 13 33.984 0.3 . 1 . . . . . 422 GLN CG . 51320 1 793 . 1 . 1 118 118 GLN N N 15 121.795 0.3 . 1 . . . . . 422 GLN N . 51320 1 794 . 1 . 1 119 119 ASN H H 1 7.805 0.020 . 1 . . . . . 423 ASN H . 51320 1 795 . 1 . 1 119 119 ASN HA H 1 4.787 0.020 . 1 . . . . . 423 ASN HA . 51320 1 796 . 1 . 1 119 119 ASN HB2 H 1 2.876 0.020 . 1 . . . . . 423 ASN HB2 . 51320 1 797 . 1 . 1 119 119 ASN HB3 H 1 2.876 0.020 . 1 . . . . . 423 ASN HB3 . 51320 1 798 . 1 . 1 119 119 ASN C C 13 174.852 0.3 . 1 . . . . . 423 ASN C . 51320 1 799 . 1 . 1 119 119 ASN CA C 13 51.883 0.3 . 1 . . . . . 423 ASN CA . 51320 1 800 . 1 . 1 119 119 ASN CB C 13 41.552 0.3 . 1 . . . . . 423 ASN CB . 51320 1 801 . 1 . 1 119 119 ASN N N 15 115.137 0.3 . 1 . . . . . 423 ASN N . 51320 1 802 . 1 . 1 120 120 ALA HA H 1 3.685 0.020 . 1 . . . . . 424 ALA HA . 51320 1 803 . 1 . 1 120 120 ALA HB1 H 1 1.234 0.020 . 1 . . . . . 424 ALA HB . 51320 1 804 . 1 . 1 120 120 ALA HB2 H 1 1.234 0.020 . 1 . . . . . 424 ALA HB . 51320 1 805 . 1 . 1 120 120 ALA HB3 H 1 1.234 0.020 . 1 . . . . . 424 ALA HB . 51320 1 806 . 1 . 1 120 120 ALA C C 13 178.380 0.3 . 1 . . . . . 424 ALA C . 51320 1 807 . 1 . 1 120 120 ALA CA C 13 55.377 0.3 . 1 . . . . . 424 ALA CA . 51320 1 808 . 1 . 1 120 120 ALA CB C 13 18.214 0.3 . 1 . . . . . 424 ALA CB . 51320 1 809 . 1 . 1 121 121 GLU H H 1 8.602 0.020 . 1 . . . . . 425 GLU H . 51320 1 810 . 1 . 1 121 121 GLU HA H 1 4.658 0.020 . 1 . . . . . 425 GLU HA . 51320 1 811 . 1 . 1 121 121 GLU HB2 H 1 1.607 0.020 . 1 . . . . . 425 GLU HB2 . 51320 1 812 . 1 . 1 121 121 GLU HB3 H 1 1.607 0.020 . 1 . . . . . 425 GLU HB3 . 51320 1 813 . 1 . 1 121 121 GLU HG2 H 1 2.129 0.020 . 1 . . . . . 425 GLU HG2 . 51320 1 814 . 1 . 1 121 121 GLU HG3 H 1 2.129 0.020 . 1 . . . . . 425 GLU HG3 . 51320 1 815 . 1 . 1 121 121 GLU C C 13 178.706 0.3 . 1 . . . . . 425 GLU C . 51320 1 816 . 1 . 1 121 121 GLU CA C 13 60.213 0.3 . 1 . . . . . 425 GLU CA . 51320 1 817 . 1 . 1 121 121 GLU CB C 13 28.092 0.3 . 1 . . . . . 425 GLU CB . 51320 1 818 . 1 . 1 121 121 GLU CG C 13 36.089 0.3 . 1 . . . . . 425 GLU CG . 51320 1 819 . 1 . 1 121 121 GLU N N 15 118.670 0.3 . 1 . . . . . 425 GLU N . 51320 1 820 . 1 . 1 122 122 ASP H H 1 7.900 0.020 . 1 . . . . . 426 ASP H . 51320 1 821 . 1 . 1 122 122 ASP HA H 1 4.346 0.020 . 1 . . . . . 426 ASP HA . 51320 1 822 . 1 . 1 122 122 ASP HB2 H 1 2.665 0.020 . 2 . . . . . 426 ASP HB2 . 51320 1 823 . 1 . 1 122 122 ASP HB3 H 1 2.973 0.020 . 2 . . . . . 426 ASP HB3 . 51320 1 824 . 1 . 1 122 122 ASP C C 13 179.420 0.3 . 1 . . . . . 426 ASP C . 51320 1 825 . 1 . 1 122 122 ASP CA C 13 57.361 0.3 . 1 . . . . . 426 ASP CA . 51320 1 826 . 1 . 1 122 122 ASP CB C 13 41.633 0.3 . 1 . . . . . 426 ASP CB . 51320 1 827 . 1 . 1 122 122 ASP N N 15 120.271 0.3 . 1 . . . . . 426 ASP N . 51320 1 828 . 1 . 1 123 123 VAL H H 1 7.091 0.020 . 1 . . . . . 427 VAL H . 51320 1 829 . 1 . 1 123 123 VAL HA H 1 3.391 0.020 . 1 . . . . . 427 VAL HA . 51320 1 830 . 1 . 1 123 123 VAL HB H 1 1.929 0.020 . 1 . . . . . 427 VAL HB . 51320 1 831 . 1 . 1 123 123 VAL HG11 H 1 0.494 0.020 . 2 . . . . . 427 VAL HG1 . 51320 1 832 . 1 . 1 123 123 VAL HG12 H 1 0.494 0.020 . 2 . . . . . 427 VAL HG1 . 51320 1 833 . 1 . 1 123 123 VAL HG13 H 1 0.494 0.020 . 2 . . . . . 427 VAL HG1 . 51320 1 834 . 1 . 1 123 123 VAL HG21 H 1 0.798 0.020 . 2 . . . . . 427 VAL HG2 . 51320 1 835 . 1 . 1 123 123 VAL HG22 H 1 0.798 0.020 . 2 . . . . . 427 VAL HG2 . 51320 1 836 . 1 . 1 123 123 VAL HG23 H 1 0.798 0.020 . 2 . . . . . 427 VAL HG2 . 51320 1 837 . 1 . 1 123 123 VAL C C 13 177.577 0.3 . 1 . . . . . 427 VAL C . 51320 1 838 . 1 . 1 123 123 VAL CA C 13 65.578 0.3 . 1 . . . . . 427 VAL CA . 51320 1 839 . 1 . 1 123 123 VAL CB C 13 30.597 0.3 . 1 . . . . . 427 VAL CB . 51320 1 840 . 1 . 1 123 123 VAL CG1 C 13 19.768 0.3 . 1 . . . . . 427 VAL CG1 . 51320 1 841 . 1 . 1 123 123 VAL CG2 C 13 21.997 0.3 . 1 . . . . . 427 VAL CG2 . 51320 1 842 . 1 . 1 123 123 VAL N N 15 119.756 0.3 . 1 . . . . . 427 VAL N . 51320 1 843 . 1 . 1 124 124 TYR H H 1 7.927 0.020 . 1 . . . . . 428 TYR H . 51320 1 844 . 1 . 1 124 124 TYR HA H 1 4.176 0.020 . 1 . . . . . 428 TYR HA . 51320 1 845 . 1 . 1 124 124 TYR HB2 H 1 2.892 0.020 . 2 . . . . . 428 TYR HB2 . 51320 1 846 . 1 . 1 124 124 TYR HB3 H 1 3.142 0.020 . 2 . . . . . 428 TYR HB3 . 51320 1 847 . 1 . 1 124 124 TYR C C 13 175.383 0.3 . 1 . . . . . 428 TYR C . 51320 1 848 . 1 . 1 124 124 TYR CA C 13 61.249 0.3 . 1 . . . . . 428 TYR CA . 51320 1 849 . 1 . 1 124 124 TYR CB C 13 36.925 0.3 . 1 . . . . . 428 TYR CB . 51320 1 850 . 1 . 1 124 124 TYR N N 15 118.778 0.3 . 1 . . . . . 428 TYR N . 51320 1 851 . 1 . 1 125 125 GLU HA H 1 4.223 0.020 . 1 . . . . . 429 GLU HA . 51320 1 852 . 1 . 1 125 125 GLU HB2 H 1 1.875 0.020 . 1 . . . . . 429 GLU HB2 . 51320 1 853 . 1 . 1 125 125 GLU HB3 H 1 1.875 0.020 . 1 . . . . . 429 GLU HB3 . 51320 1 854 . 1 . 1 125 125 GLU HG2 H 1 2.196 0.020 . 2 . . . . . 429 GLU HG2 . 51320 1 855 . 1 . 1 125 125 GLU HG3 H 1 2.332 0.020 . 2 . . . . . 429 GLU HG3 . 51320 1 856 . 1 . 1 125 125 GLU C C 13 178.559 0.3 . 1 . . . . . 429 GLU C . 51320 1 857 . 1 . 1 125 125 GLU CA C 13 58.649 0.3 . 1 . . . . . 429 GLU CA . 51320 1 858 . 1 . 1 125 125 GLU CB C 13 29.172 0.3 . 1 . . . . . 429 GLU CB . 51320 1 859 . 1 . 1 125 125 GLU CG C 13 35.015 0.3 . 1 . . . . . 429 GLU CG . 51320 1 860 . 1 . 1 126 126 ALA H H 1 7.219 0.020 . 1 . . . . . 430 ALA H . 51320 1 861 . 1 . 1 126 126 ALA HA H 1 4.102 0.020 . 1 . . . . . 430 ALA HA . 51320 1 862 . 1 . 1 126 126 ALA HB1 H 1 1.401 0.020 . 1 . . . . . 430 ALA HB . 51320 1 863 . 1 . 1 126 126 ALA HB2 H 1 1.401 0.020 . 1 . . . . . 430 ALA HB . 51320 1 864 . 1 . 1 126 126 ALA HB3 H 1 1.401 0.020 . 1 . . . . . 430 ALA HB . 51320 1 865 . 1 . 1 126 126 ALA C C 13 178.846 0.3 . 1 . . . . . 430 ALA C . 51320 1 866 . 1 . 1 126 126 ALA CA C 13 55.010 0.3 . 1 . . . . . 430 ALA CA . 51320 1 867 . 1 . 1 126 126 ALA CB C 13 18.473 0.3 . 1 . . . . . 430 ALA CB . 51320 1 868 . 1 . 1 126 126 ALA N N 15 124.281 0.3 . 1 . . . . . 430 ALA N . 51320 1 869 . 1 . 1 127 127 VAL H H 1 8.159 0.020 . 1 . . . . . 431 VAL H . 51320 1 870 . 1 . 1 127 127 VAL HA H 1 3.351 0.020 . 1 . . . . . 431 VAL HA . 51320 1 871 . 1 . 1 127 127 VAL HB H 1 2.294 0.020 . 1 . . . . . 431 VAL HB . 51320 1 872 . 1 . 1 127 127 VAL HG11 H 1 0.779 0.020 . 2 . . . . . 431 VAL HG1 . 51320 1 873 . 1 . 1 127 127 VAL HG12 H 1 0.779 0.020 . 2 . . . . . 431 VAL HG1 . 51320 1 874 . 1 . 1 127 127 VAL HG13 H 1 0.779 0.020 . 2 . . . . . 431 VAL HG1 . 51320 1 875 . 1 . 1 127 127 VAL HG21 H 1 0.888 0.020 . 2 . . . . . 431 VAL HG2 . 51320 1 876 . 1 . 1 127 127 VAL HG22 H 1 0.888 0.020 . 2 . . . . . 431 VAL HG2 . 51320 1 877 . 1 . 1 127 127 VAL HG23 H 1 0.888 0.020 . 2 . . . . . 431 VAL HG2 . 51320 1 878 . 1 . 1 127 127 VAL C C 13 176.182 0.3 . 1 . . . . . 431 VAL C . 51320 1 879 . 1 . 1 127 127 VAL CA C 13 65.892 0.3 . 1 . . . . . 431 VAL CA . 51320 1 880 . 1 . 1 127 127 VAL CB C 13 31.572 0.3 . 1 . . . . . 431 VAL CB . 51320 1 881 . 1 . 1 127 127 VAL CG1 C 13 22.143 0.3 . 1 . . . . . 431 VAL CG1 . 51320 1 882 . 1 . 1 127 127 VAL CG2 C 13 24.164 0.3 . 1 . . . . . 431 VAL CG2 . 51320 1 883 . 1 . 1 127 127 VAL N N 15 117.980 0.3 . 1 . . . . . 431 VAL N . 51320 1 884 . 1 . 1 128 128 ARG H H 1 7.615 0.020 . 1 . . . . . 432 ARG H . 51320 1 885 . 1 . 1 128 128 ARG HA H 1 3.929 0.020 . 1 . . . . . 432 ARG HA . 51320 1 886 . 1 . 1 128 128 ARG HB2 H 1 1.960 0.020 . 1 . . . . . 432 ARG HB2 . 51320 1 887 . 1 . 1 128 128 ARG HB3 H 1 1.960 0.020 . 1 . . . . . 432 ARG HB3 . 51320 1 888 . 1 . 1 128 128 ARG HG2 H 1 2.121 0.020 . 1 . . . . . 432 ARG HG2 . 51320 1 889 . 1 . 1 128 128 ARG HG3 H 1 2.121 0.020 . 1 . . . . . 432 ARG HG3 . 51320 1 890 . 1 . 1 128 128 ARG HD2 H 1 3.103 0.020 . 2 . . . . . 432 ARG HD2 . 51320 1 891 . 1 . 1 128 128 ARG HD3 H 1 3.227 0.020 . 2 . . . . . 432 ARG HD3 . 51320 1 892 . 1 . 1 128 128 ARG C C 13 177.713 0.3 . 1 . . . . . 432 ARG C . 51320 1 893 . 1 . 1 128 128 ARG CA C 13 59.084 0.3 . 1 . . . . . 432 ARG CA . 51320 1 894 . 1 . 1 128 128 ARG CB C 13 31.598 0.3 . 1 . . . . . 432 ARG CB . 51320 1 895 . 1 . 1 128 128 ARG CG C 13 28.884 0.3 . 1 . . . . . 432 ARG CG . 51320 1 896 . 1 . 1 128 128 ARG CD C 13 43.416 0.3 . 1 . . . . . 432 ARG CD . 51320 1 897 . 1 . 1 128 128 ARG N N 15 116.155 0.3 . 1 . . . . . 432 ARG N . 51320 1 898 . 1 . 1 129 129 THR H H 1 7.298 0.020 . 1 . . . . . 433 THR H . 51320 1 899 . 1 . 1 129 129 THR HA H 1 4.349 0.020 . 1 . . . . . 433 THR HA . 51320 1 900 . 1 . 1 129 129 THR HB H 1 4.221 0.020 . 1 . . . . . 433 THR HB . 51320 1 901 . 1 . 1 129 129 THR HG21 H 1 1.177 0.020 . 1 . . . . . 433 THR HG2 . 51320 1 902 . 1 . 1 129 129 THR HG22 H 1 1.177 0.020 . 1 . . . . . 433 THR HG2 . 51320 1 903 . 1 . 1 129 129 THR HG23 H 1 1.177 0.020 . 1 . . . . . 433 THR HG2 . 51320 1 904 . 1 . 1 129 129 THR C C 13 174.920 0.3 . 1 . . . . . 433 THR C . 51320 1 905 . 1 . 1 129 129 THR CA C 13 62.238 0.3 . 1 . . . . . 433 THR CA . 51320 1 906 . 1 . 1 129 129 THR CB C 13 71.438 0.3 . 1 . . . . . 433 THR CB . 51320 1 907 . 1 . 1 129 129 THR CG2 C 13 21.451 0.3 . 1 . . . . . 433 THR CG2 . 51320 1 908 . 1 . 1 129 129 THR N N 15 131.036 0.3 . 1 . . . . . 433 THR N . 51320 1 909 . 1 . 1 130 130 GLN H H 1 8.057 0.020 . 1 . . . . . 434 GLN H . 51320 1 910 . 1 . 1 130 130 GLN HA H 1 4.569 0.020 . 1 . . . . . 434 GLN HA . 51320 1 911 . 1 . 1 130 130 GLN HB2 H 1 2.092 0.020 . 1 . . . . . 434 GLN HB2 . 51320 1 912 . 1 . 1 130 130 GLN HB3 H 1 2.092 0.020 . 1 . . . . . 434 GLN HB3 . 51320 1 913 . 1 . 1 130 130 GLN HG2 H 1 2.219 0.020 . 1 . . . . . 434 GLN HG2 . 51320 1 914 . 1 . 1 130 130 GLN HG3 H 1 2.219 0.020 . 1 . . . . . 434 GLN HG3 . 51320 1 915 . 1 . 1 130 130 GLN C C 13 175.576 0.3 . 1 . . . . . 434 GLN C . 51320 1 916 . 1 . 1 130 130 GLN CA C 13 55.347 0.3 . 1 . . . . . 434 GLN CA . 51320 1 917 . 1 . 1 130 130 GLN CB C 13 30.110 0.3 . 1 . . . . . 434 GLN CB . 51320 1 918 . 1 . 1 130 130 GLN CG C 13 34.171 0.3 . 1 . . . . . 434 GLN CG . 51320 1 919 . 1 . 1 130 130 GLN N N 15 122.553 0.3 . 1 . . . . . 434 GLN N . 51320 1 920 . 1 . 1 131 131 SER HA H 1 4.417 0.020 . 1 . . . . . 435 SER HA . 51320 1 921 . 1 . 1 131 131 SER HB2 H 1 3.823 0.020 . 1 . . . . . 435 SER HB2 . 51320 1 922 . 1 . 1 131 131 SER HB3 H 1 3.823 0.020 . 1 . . . . . 435 SER HB3 . 51320 1 923 . 1 . 1 131 131 SER C C 13 174.221 0.3 . 1 . . . . . 435 SER C . 51320 1 924 . 1 . 1 131 131 SER CA C 13 60.204 0.3 . 1 . . . . . 435 SER CA . 51320 1 925 . 1 . 1 131 131 SER CB C 13 63.123 0.3 . 1 . . . . . 435 SER CB . 51320 1 926 . 1 . 1 132 132 GLN H H 1 7.410 0.020 . 1 . . . . . 436 GLN H . 51320 1 927 . 1 . 1 132 132 GLN HA H 1 4.517 0.020 . 1 . . . . . 436 GLN HA . 51320 1 928 . 1 . 1 132 132 GLN HB2 H 1 1.898 0.020 . 1 . . . . . 436 GLN HB2 . 51320 1 929 . 1 . 1 132 132 GLN HB3 H 1 1.898 0.020 . 1 . . . . . 436 GLN HB3 . 51320 1 930 . 1 . 1 132 132 GLN HG2 H 1 2.008 0.020 . 2 . . . . . 436 GLN HG2 . 51320 1 931 . 1 . 1 132 132 GLN HG3 H 1 2.136 0.020 . 2 . . . . . 436 GLN HG3 . 51320 1 932 . 1 . 1 132 132 GLN C C 13 173.396 0.3 . 1 . . . . . 436 GLN C . 51320 1 933 . 1 . 1 132 132 GLN CA C 13 55.403 0.3 . 1 . . . . . 436 GLN CA . 51320 1 934 . 1 . 1 132 132 GLN CB C 13 31.782 0.3 . 1 . . . . . 436 GLN CB . 51320 1 935 . 1 . 1 132 132 GLN CG C 13 34.310 0.3 . 1 . . . . . 436 GLN CG . 51320 1 936 . 1 . 1 132 132 GLN N N 15 118.565 0.3 . 1 . . . . . 436 GLN N . 51320 1 937 . 1 . 1 133 133 LEU H H 1 9.038 0.020 . 1 . . . . . 437 LEU H . 51320 1 938 . 1 . 1 133 133 LEU HA H 1 4.533 0.020 . 1 . . . . . 437 LEU HA . 51320 1 939 . 1 . 1 133 133 LEU HB2 H 1 1.136 0.020 . 2 . . . . . 437 LEU HB2 . 51320 1 940 . 1 . 1 133 133 LEU HB3 H 1 1.544 0.020 . 2 . . . . . 437 LEU HB3 . 51320 1 941 . 1 . 1 133 133 LEU HG H 1 1.400 0.020 . 1 . . . . . 437 LEU HG . 51320 1 942 . 1 . 1 133 133 LEU HD11 H 1 0.551 0.020 . 2 . . . . . 437 LEU HD1 . 51320 1 943 . 1 . 1 133 133 LEU HD12 H 1 0.551 0.020 . 2 . . . . . 437 LEU HD1 . 51320 1 944 . 1 . 1 133 133 LEU HD13 H 1 0.551 0.020 . 2 . . . . . 437 LEU HD1 . 51320 1 945 . 1 . 1 133 133 LEU HD21 H 1 0.609 0.020 . 2 . . . . . 437 LEU HD2 . 51320 1 946 . 1 . 1 133 133 LEU HD22 H 1 0.609 0.020 . 2 . . . . . 437 LEU HD2 . 51320 1 947 . 1 . 1 133 133 LEU HD23 H 1 0.609 0.020 . 2 . . . . . 437 LEU HD2 . 51320 1 948 . 1 . 1 133 133 LEU C C 13 174.615 0.3 . 1 . . . . . 437 LEU C . 51320 1 949 . 1 . 1 133 133 LEU CA C 13 54.078 0.3 . 1 . . . . . 437 LEU CA . 51320 1 950 . 1 . 1 133 133 LEU CB C 13 43.959 0.3 . 1 . . . . . 437 LEU CB . 51320 1 951 . 1 . 1 133 133 LEU CG C 13 27.583 0.3 . 1 . . . . . 437 LEU CG . 51320 1 952 . 1 . 1 133 133 LEU CD1 C 13 25.893 0.3 . 1 . . . . . 437 LEU CD1 . 51320 1 953 . 1 . 1 133 133 LEU CD2 C 13 25.871 0.3 . 1 . . . . . 437 LEU CD2 . 51320 1 954 . 1 . 1 133 133 LEU N N 15 126.490 0.3 . 1 . . . . . 437 LEU N . 51320 1 955 . 1 . 1 134 134 ALA H H 1 8.725 0.020 . 1 . . . . . 438 ALA H . 51320 1 956 . 1 . 1 134 134 ALA HA H 1 4.232 0.020 . 1 . . . . . 438 ALA HA . 51320 1 957 . 1 . 1 134 134 ALA HB1 H 1 1.097 0.020 . 1 . . . . . 438 ALA HB . 51320 1 958 . 1 . 1 134 134 ALA HB2 H 1 1.097 0.020 . 1 . . . . . 438 ALA HB . 51320 1 959 . 1 . 1 134 134 ALA HB3 H 1 1.097 0.020 . 1 . . . . . 438 ALA HB . 51320 1 960 . 1 . 1 134 134 ALA C C 13 175.727 0.3 . 1 . . . . . 438 ALA C . 51320 1 961 . 1 . 1 134 134 ALA CA C 13 49.991 0.3 . 1 . . . . . 438 ALA CA . 51320 1 962 . 1 . 1 134 134 ALA CB C 13 18.063 0.3 . 1 . . . . . 438 ALA CB . 51320 1 963 . 1 . 1 134 134 ALA N N 15 128.622 0.3 . 1 . . . . . 438 ALA N . 51320 1 964 . 1 . 1 135 135 VAL H H 1 8.888 0.020 . 1 . . . . . 439 VAL H . 51320 1 965 . 1 . 1 135 135 VAL HA H 1 4.108 0.020 . 1 . . . . . 439 VAL HA . 51320 1 966 . 1 . 1 135 135 VAL HB H 1 1.942 0.020 . 1 . . . . . 439 VAL HB . 51320 1 967 . 1 . 1 135 135 VAL HG11 H 1 0.638 0.020 . 2 . . . . . 439 VAL HG1 . 51320 1 968 . 1 . 1 135 135 VAL HG12 H 1 0.638 0.020 . 2 . . . . . 439 VAL HG1 . 51320 1 969 . 1 . 1 135 135 VAL HG13 H 1 0.638 0.020 . 2 . . . . . 439 VAL HG1 . 51320 1 970 . 1 . 1 135 135 VAL HG21 H 1 0.667 0.020 . 2 . . . . . 439 VAL HG2 . 51320 1 971 . 1 . 1 135 135 VAL HG22 H 1 0.667 0.020 . 2 . . . . . 439 VAL HG2 . 51320 1 972 . 1 . 1 135 135 VAL HG23 H 1 0.667 0.020 . 2 . . . . . 439 VAL HG2 . 51320 1 973 . 1 . 1 135 135 VAL C C 13 173.432 0.3 . 1 . . . . . 439 VAL C . 51320 1 974 . 1 . 1 135 135 VAL CA C 13 62.068 0.3 . 1 . . . . . 439 VAL CA . 51320 1 975 . 1 . 1 135 135 VAL CB C 13 32.060 0.3 . 1 . . . . . 439 VAL CB . 51320 1 976 . 1 . 1 135 135 VAL CG1 C 13 21.853 0.3 . 1 . . . . . 439 VAL CG1 . 51320 1 977 . 1 . 1 135 135 VAL CG2 C 13 22.907 0.3 . 1 . . . . . 439 VAL CG2 . 51320 1 978 . 1 . 1 135 135 VAL N N 15 126.717 0.3 . 1 . . . . . 439 VAL N . 51320 1 979 . 1 . 1 136 136 GLN H H 1 8.676 0.020 . 1 . . . . . 440 GLN H . 51320 1 980 . 1 . 1 136 136 GLN HA H 1 5.035 0.020 . 1 . . . . . 440 GLN HA . 51320 1 981 . 1 . 1 136 136 GLN HB2 H 1 1.662 0.020 . 2 . . . . . 440 GLN HB2 . 51320 1 982 . 1 . 1 136 136 GLN HB3 H 1 1.980 0.020 . 2 . . . . . 440 GLN HB3 . 51320 1 983 . 1 . 1 136 136 GLN HG2 H 1 2.118 0.020 . 1 . . . . . 440 GLN HG2 . 51320 1 984 . 1 . 1 136 136 GLN HG3 H 1 2.118 0.020 . 1 . . . . . 440 GLN HG3 . 51320 1 985 . 1 . 1 136 136 GLN C C 13 175.529 0.3 . 1 . . . . . 440 GLN C . 51320 1 986 . 1 . 1 136 136 GLN CA C 13 54.820 0.3 . 1 . . . . . 440 GLN CA . 51320 1 987 . 1 . 1 136 136 GLN CB C 13 30.416 0.3 . 1 . . . . . 440 GLN CB . 51320 1 988 . 1 . 1 136 136 GLN CG C 13 34.574 0.3 . 1 . . . . . 440 GLN CG . 51320 1 989 . 1 . 1 136 136 GLN N N 15 129.381 0.3 . 1 . . . . . 440 GLN N . 51320 1 990 . 1 . 1 137 137 ILE H H 1 9.195 0.020 . 1 . . . . . 441 ILE H . 51320 1 991 . 1 . 1 137 137 ILE HA H 1 5.513 0.020 . 1 . . . . . 441 ILE HA . 51320 1 992 . 1 . 1 137 137 ILE HB H 1 1.397 0.020 . 1 . . . . . 441 ILE HB . 51320 1 993 . 1 . 1 137 137 ILE HG12 H 1 1.196 0.020 . 1 . . . . . 441 ILE HG12 . 51320 1 994 . 1 . 1 137 137 ILE HG13 H 1 1.196 0.020 . 1 . . . . . 441 ILE HG13 . 51320 1 995 . 1 . 1 137 137 ILE HG21 H 1 0.573 0.020 . 1 . . . . . 441 ILE HG2 . 51320 1 996 . 1 . 1 137 137 ILE HG22 H 1 0.573 0.020 . 1 . . . . . 441 ILE HG2 . 51320 1 997 . 1 . 1 137 137 ILE HG23 H 1 0.573 0.020 . 1 . . . . . 441 ILE HG2 . 51320 1 998 . 1 . 1 137 137 ILE HD11 H 1 0.573 0.020 . 1 . . . . . 441 ILE HD1 . 51320 1 999 . 1 . 1 137 137 ILE HD12 H 1 0.573 0.020 . 1 . . . . . 441 ILE HD1 . 51320 1 1000 . 1 . 1 137 137 ILE HD13 H 1 0.573 0.020 . 1 . . . . . 441 ILE HD1 . 51320 1 1001 . 1 . 1 137 137 ILE C C 13 175.028 0.3 . 1 . . . . . 441 ILE C . 51320 1 1002 . 1 . 1 137 137 ILE CA C 13 57.490 0.3 . 1 . . . . . 441 ILE CA . 51320 1 1003 . 1 . 1 137 137 ILE CB C 13 42.398 0.3 . 1 . . . . . 441 ILE CB . 51320 1 1004 . 1 . 1 137 137 ILE CG1 C 13 26.213 0.3 . 1 . . . . . 441 ILE CG1 . 51320 1 1005 . 1 . 1 137 137 ILE CG2 C 13 18.554 0.3 . 1 . . . . . 441 ILE CG2 . 51320 1 1006 . 1 . 1 137 137 ILE CD1 C 13 15.082 0.3 . 1 . . . . . 441 ILE CD1 . 51320 1 1007 . 1 . 1 137 137 ILE N N 15 122.116 0.3 . 1 . . . . . 441 ILE N . 51320 1 1008 . 1 . 1 138 138 ARG H H 1 9.031 0.020 . 1 . . . . . 442 ARG H . 51320 1 1009 . 1 . 1 138 138 ARG HA H 1 4.949 0.020 . 1 . . . . . 442 ARG HA . 51320 1 1010 . 1 . 1 138 138 ARG HB2 H 1 1.373 0.020 . 2 . . . . . 442 ARG HB2 . 51320 1 1011 . 1 . 1 138 138 ARG HB3 H 1 1.580 0.020 . 2 . . . . . 442 ARG HB3 . 51320 1 1012 . 1 . 1 138 138 ARG HG2 H 1 1.297 0.020 . 1 . . . . . 442 ARG HG2 . 51320 1 1013 . 1 . 1 138 138 ARG HG3 H 1 1.297 0.020 . 1 . . . . . 442 ARG HG3 . 51320 1 1014 . 1 . 1 138 138 ARG HD2 H 1 2.901 0.020 . 1 . . . . . 442 ARG HD2 . 51320 1 1015 . 1 . 1 138 138 ARG HD3 H 1 2.901 0.020 . 1 . . . . . 442 ARG HD3 . 51320 1 1016 . 1 . 1 138 138 ARG C C 13 174.508 0.3 . 1 . . . . . 442 ARG C . 51320 1 1017 . 1 . 1 138 138 ARG CA C 13 52.993 0.3 . 1 . . . . . 442 ARG CA . 51320 1 1018 . 1 . 1 138 138 ARG CB C 13 31.365 0.3 . 1 . . . . . 442 ARG CB . 51320 1 1019 . 1 . 1 138 138 ARG CG C 13 26.655 0.3 . 1 . . . . . 442 ARG CG . 51320 1 1020 . 1 . 1 138 138 ARG CD C 13 41.930 0.3 . 1 . . . . . 442 ARG CD . 51320 1 1021 . 1 . 1 138 138 ARG N N 15 121.229 0.3 . 1 . . . . . 442 ARG N . 51320 1 1022 . 1 . 1 139 139 ARG H H 1 8.583 0.020 . 1 . . . . . 443 ARG H . 51320 1 1023 . 1 . 1 139 139 ARG HA H 1 4.536 0.020 . 1 . . . . . 443 ARG HA . 51320 1 1024 . 1 . 1 139 139 ARG HB2 H 1 1.480 0.020 . 2 . . . . . 443 ARG HB2 . 51320 1 1025 . 1 . 1 139 139 ARG HB3 H 1 1.589 0.020 . 2 . . . . . 443 ARG HB3 . 51320 1 1026 . 1 . 1 139 139 ARG HG2 H 1 1.331 0.020 . 1 . . . . . 443 ARG HG2 . 51320 1 1027 . 1 . 1 139 139 ARG HG3 H 1 1.331 0.020 . 1 . . . . . 443 ARG HG3 . 51320 1 1028 . 1 . 1 139 139 ARG HD2 H 1 3.092 0.020 . 1 . . . . . 443 ARG HD2 . 51320 1 1029 . 1 . 1 139 139 ARG HD3 H 1 3.092 0.020 . 1 . . . . . 443 ARG HD3 . 51320 1 1030 . 1 . 1 139 139 ARG C C 13 175.924 0.3 . 1 . . . . . 443 ARG C . 51320 1 1031 . 1 . 1 139 139 ARG CA C 13 54.138 0.3 . 1 . . . . . 443 ARG CA . 51320 1 1032 . 1 . 1 139 139 ARG CB C 13 32.586 0.3 . 1 . . . . . 443 ARG CB . 51320 1 1033 . 1 . 1 139 139 ARG CG C 13 26.588 0.3 . 1 . . . . . 443 ARG CG . 51320 1 1034 . 1 . 1 139 139 ARG CD C 13 43.596 0.3 . 1 . . . . . 443 ARG CD . 51320 1 1035 . 1 . 1 139 139 ARG N N 15 130.601 0.3 . 1 . . . . . 443 ARG N . 51320 1 1036 . 1 . 1 140 140 GLY H H 1 8.875 0.020 . 1 . . . . . 444 GLY H . 51320 1 1037 . 1 . 1 140 140 GLY HA2 H 1 3.875 0.020 . 2 . . . . . 444 GLY HA2 . 51320 1 1038 . 1 . 1 140 140 GLY HA3 H 1 3.493 0.020 . 2 . . . . . 444 GLY HA3 . 51320 1 1039 . 1 . 1 140 140 GLY C C 13 174.351 0.3 . 1 . . . . . 444 GLY C . 51320 1 1040 . 1 . 1 140 140 GLY CA C 13 47.201 0.3 . 1 . . . . . 444 GLY CA . 51320 1 1041 . 1 . 1 140 140 GLY N N 15 118.512 0.3 . 1 . . . . . 444 GLY N . 51320 1 1042 . 1 . 1 141 141 ARG H H 1 8.805 0.020 . 1 . . . . . 445 ARG H . 51320 1 1043 . 1 . 1 141 141 ARG HA H 1 4.140 0.020 . 1 . . . . . 445 ARG HA . 51320 1 1044 . 1 . 1 141 141 ARG HB2 H 1 1.889 0.020 . 1 . . . . . 445 ARG HB2 . 51320 1 1045 . 1 . 1 141 141 ARG HB3 H 1 1.889 0.020 . 1 . . . . . 445 ARG HB3 . 51320 1 1046 . 1 . 1 141 141 ARG HG2 H 1 1.570 0.020 . 1 . . . . . 445 ARG HG2 . 51320 1 1047 . 1 . 1 141 141 ARG HG3 H 1 1.570 0.020 . 1 . . . . . 445 ARG HG3 . 51320 1 1048 . 1 . 1 141 141 ARG HD2 H 1 3.108 0.020 . 1 . . . . . 445 ARG HD2 . 51320 1 1049 . 1 . 1 141 141 ARG HD3 H 1 3.108 0.020 . 1 . . . . . 445 ARG HD3 . 51320 1 1050 . 1 . 1 141 141 ARG C C 13 176.318 0.3 . 1 . . . . . 445 ARG C . 51320 1 1051 . 1 . 1 141 141 ARG CA C 13 56.323 0.3 . 1 . . . . . 445 ARG CA . 51320 1 1052 . 1 . 1 141 141 ARG CB C 13 30.394 0.3 . 1 . . . . . 445 ARG CB . 51320 1 1053 . 1 . 1 141 141 ARG CG C 13 27.081 0.3 . 1 . . . . . 445 ARG CG . 51320 1 1054 . 1 . 1 141 141 ARG CD C 13 43.066 0.3 . 1 . . . . . 445 ARG CD . 51320 1 1055 . 1 . 1 141 141 ARG N N 15 126.496 0.3 . 1 . . . . . 445 ARG N . 51320 1 1056 . 1 . 1 142 142 GLU H H 1 7.942 0.020 . 1 . . . . . 446 GLU H . 51320 1 1057 . 1 . 1 142 142 GLU HA H 1 4.425 0.020 . 1 . . . . . 446 GLU HA . 51320 1 1058 . 1 . 1 142 142 GLU HB2 H 1 1.939 0.020 . 1 . . . . . 446 GLU HB2 . 51320 1 1059 . 1 . 1 142 142 GLU HB3 H 1 1.939 0.020 . 1 . . . . . 446 GLU HB3 . 51320 1 1060 . 1 . 1 142 142 GLU HG2 H 1 2.115 0.020 . 2 . . . . . 446 GLU HG2 . 51320 1 1061 . 1 . 1 142 142 GLU HG3 H 1 2.206 0.020 . 2 . . . . . 446 GLU HG3 . 51320 1 1062 . 1 . 1 142 142 GLU C C 13 175.322 0.3 . 1 . . . . . 446 GLU C . 51320 1 1063 . 1 . 1 142 142 GLU CA C 13 55.719 0.3 . 1 . . . . . 446 GLU CA . 51320 1 1064 . 1 . 1 142 142 GLU CB C 13 32.401 0.3 . 1 . . . . . 446 GLU CB . 51320 1 1065 . 1 . 1 142 142 GLU CG C 13 36.439 0.3 . 1 . . . . . 446 GLU CG . 51320 1 1066 . 1 . 1 142 142 GLU N N 15 120.521 0.3 . 1 . . . . . 446 GLU N . 51320 1 1067 . 1 . 1 143 143 THR H H 1 8.363 0.020 . 1 . . . . . 447 THR H . 51320 1 1068 . 1 . 1 143 143 THR HA H 1 5.236 0.020 . 1 . . . . . 447 THR HA . 51320 1 1069 . 1 . 1 143 143 THR HB H 1 3.828 0.020 . 1 . . . . . 447 THR HB . 51320 1 1070 . 1 . 1 143 143 THR HG21 H 1 0.972 0.020 . 1 . . . . . 447 THR HG2 . 51320 1 1071 . 1 . 1 143 143 THR HG22 H 1 0.972 0.020 . 1 . . . . . 447 THR HG2 . 51320 1 1072 . 1 . 1 143 143 THR HG23 H 1 0.972 0.020 . 1 . . . . . 447 THR HG2 . 51320 1 1073 . 1 . 1 143 143 THR C C 13 173.844 0.3 . 1 . . . . . 447 THR C . 51320 1 1074 . 1 . 1 143 143 THR CA C 13 61.245 0.3 . 1 . . . . . 447 THR CA . 51320 1 1075 . 1 . 1 143 143 THR CB C 13 69.822 0.3 . 1 . . . . . 447 THR CB . 51320 1 1076 . 1 . 1 143 143 THR CG2 C 13 20.924 0.3 . 1 . . . . . 447 THR CG2 . 51320 1 1077 . 1 . 1 143 143 THR N N 15 119.354 0.3 . 1 . . . . . 447 THR N . 51320 1 1078 . 1 . 1 144 144 LEU H H 1 8.691 0.020 . 1 . . . . . 448 LEU H . 51320 1 1079 . 1 . 1 144 144 LEU HA H 1 4.695 0.020 . 1 . . . . . 448 LEU HA . 51320 1 1080 . 1 . 1 144 144 LEU HB2 H 1 1.304 0.020 . 2 . . . . . 448 LEU HB2 . 51320 1 1081 . 1 . 1 144 144 LEU HB3 H 1 1.417 0.020 . 2 . . . . . 448 LEU HB3 . 51320 1 1082 . 1 . 1 144 144 LEU HG H 1 1.314 0.020 . 1 . . . . . 448 LEU HG . 51320 1 1083 . 1 . 1 144 144 LEU HD11 H 1 0.742 0.020 . 2 . . . . . 448 LEU HD1 . 51320 1 1084 . 1 . 1 144 144 LEU HD12 H 1 0.742 0.020 . 2 . . . . . 448 LEU HD1 . 51320 1 1085 . 1 . 1 144 144 LEU HD13 H 1 0.742 0.020 . 2 . . . . . 448 LEU HD1 . 51320 1 1086 . 1 . 1 144 144 LEU HD21 H 1 0.664 0.020 . 2 . . . . . 448 LEU HD2 . 51320 1 1087 . 1 . 1 144 144 LEU HD22 H 1 0.664 0.020 . 2 . . . . . 448 LEU HD2 . 51320 1 1088 . 1 . 1 144 144 LEU HD23 H 1 0.664 0.020 . 2 . . . . . 448 LEU HD2 . 51320 1 1089 . 1 . 1 144 144 LEU C C 13 174.669 0.3 . 1 . . . . . 448 LEU C . 51320 1 1090 . 1 . 1 144 144 LEU CA C 13 54.180 0.3 . 1 . . . . . 448 LEU CA . 51320 1 1091 . 1 . 1 144 144 LEU CB C 13 45.229 0.3 . 1 . . . . . 448 LEU CB . 51320 1 1092 . 1 . 1 144 144 LEU CG C 13 27.340 0.3 . 1 . . . . . 448 LEU CG . 51320 1 1093 . 1 . 1 144 144 LEU CD1 C 13 24.648 0.3 . 1 . . . . . 448 LEU CD1 . 51320 1 1094 . 1 . 1 144 144 LEU CD2 C 13 25.852 0.3 . 1 . . . . . 448 LEU CD2 . 51320 1 1095 . 1 . 1 144 144 LEU N N 15 127.150 0.3 . 1 . . . . . 448 LEU N . 51320 1 1096 . 1 . 1 145 145 THR H H 1 8.126 0.020 . 1 . . . . . 449 THR H . 51320 1 1097 . 1 . 1 145 145 THR HA H 1 4.999 0.020 . 1 . . . . . 449 THR HA . 51320 1 1098 . 1 . 1 145 145 THR HB H 1 3.677 0.020 . 1 . . . . . 449 THR HB . 51320 1 1099 . 1 . 1 145 145 THR HG21 H 1 0.501 0.020 . 1 . . . . . 449 THR HG2 . 51320 1 1100 . 1 . 1 145 145 THR HG22 H 1 0.501 0.020 . 1 . . . . . 449 THR HG2 . 51320 1 1101 . 1 . 1 145 145 THR HG23 H 1 0.501 0.020 . 1 . . . . . 449 THR HG2 . 51320 1 1102 . 1 . 1 145 145 THR C C 13 172.858 0.3 . 1 . . . . . 449 THR C . 51320 1 1103 . 1 . 1 145 145 THR CA C 13 61.749 0.3 . 1 . . . . . 449 THR CA . 51320 1 1104 . 1 . 1 145 145 THR CB C 13 69.672 0.3 . 1 . . . . . 449 THR CB . 51320 1 1105 . 1 . 1 145 145 THR CG2 C 13 20.582 0.3 . 1 . . . . . 449 THR CG2 . 51320 1 1106 . 1 . 1 145 145 THR N N 15 117.015 0.3 . 1 . . . . . 449 THR N . 51320 1 1107 . 1 . 1 146 146 LEU H H 1 8.663 0.020 . 1 . . . . . 450 LEU H . 51320 1 1108 . 1 . 1 146 146 LEU HA H 1 4.565 0.020 . 1 . . . . . 450 LEU HA . 51320 1 1109 . 1 . 1 146 146 LEU HB2 H 1 1.220 0.020 . 2 . . . . . 450 LEU HB2 . 51320 1 1110 . 1 . 1 146 146 LEU HB3 H 1 1.127 0.020 . 2 . . . . . 450 LEU HB3 . 51320 1 1111 . 1 . 1 146 146 LEU HG H 1 1.330 0.020 . 1 . . . . . 450 LEU HG . 51320 1 1112 . 1 . 1 146 146 LEU HD11 H 1 0.562 0.020 . 2 . . . . . 450 LEU HD1 . 51320 1 1113 . 1 . 1 146 146 LEU HD12 H 1 0.562 0.020 . 2 . . . . . 450 LEU HD1 . 51320 1 1114 . 1 . 1 146 146 LEU HD13 H 1 0.562 0.020 . 2 . . . . . 450 LEU HD1 . 51320 1 1115 . 1 . 1 146 146 LEU HD21 H 1 0.783 0.020 . 2 . . . . . 450 LEU HD2 . 51320 1 1116 . 1 . 1 146 146 LEU HD22 H 1 0.783 0.020 . 2 . . . . . 450 LEU HD2 . 51320 1 1117 . 1 . 1 146 146 LEU HD23 H 1 0.783 0.020 . 2 . . . . . 450 LEU HD2 . 51320 1 1118 . 1 . 1 146 146 LEU C C 13 174.579 0.3 . 1 . . . . . 450 LEU C . 51320 1 1119 . 1 . 1 146 146 LEU CA C 13 52.631 0.3 . 1 . . . . . 450 LEU CA . 51320 1 1120 . 1 . 1 146 146 LEU CB C 13 44.240 0.3 . 1 . . . . . 450 LEU CB . 51320 1 1121 . 1 . 1 146 146 LEU CG C 13 27.203 0.3 . 1 . . . . . 450 LEU CG . 51320 1 1122 . 1 . 1 146 146 LEU CD1 C 13 25.357 0.3 . 1 . . . . . 450 LEU CD1 . 51320 1 1123 . 1 . 1 146 146 LEU CD2 C 13 23.318 0.3 . 1 . . . . . 450 LEU CD2 . 51320 1 1124 . 1 . 1 146 146 LEU N N 15 128.087 0.3 . 1 . . . . . 450 LEU N . 51320 1 1125 . 1 . 1 147 147 TYR H H 1 8.473 0.020 . 1 . . . . . 451 TYR H . 51320 1 1126 . 1 . 1 147 147 TYR HA H 1 5.292 0.020 . 1 . . . . . 451 TYR HA . 51320 1 1127 . 1 . 1 147 147 TYR HB2 H 1 2.582 0.020 . 2 . . . . . 451 TYR HB2 . 51320 1 1128 . 1 . 1 147 147 TYR HB3 H 1 2.663 0.020 . 2 . . . . . 451 TYR HB3 . 51320 1 1129 . 1 . 1 147 147 TYR C C 13 175.583 0.3 . 1 . . . . . 451 TYR C . 51320 1 1130 . 1 . 1 147 147 TYR CA C 13 57.072 0.3 . 1 . . . . . 451 TYR CA . 51320 1 1131 . 1 . 1 147 147 TYR CB C 13 39.241 0.3 . 1 . . . . . 451 TYR CB . 51320 1 1132 . 1 . 1 147 147 TYR N N 15 120.982 0.3 . 1 . . . . . 451 TYR N . 51320 1 1133 . 1 . 1 148 148 VAL H H 1 8.834 0.020 . 1 . . . . . 452 VAL H . 51320 1 1134 . 1 . 1 148 148 VAL HA H 1 4.379 0.020 . 1 . . . . . 452 VAL HA . 51320 1 1135 . 1 . 1 148 148 VAL HB H 1 1.674 0.020 . 1 . . . . . 452 VAL HB . 51320 1 1136 . 1 . 1 148 148 VAL HG11 H 1 0.596 0.020 . 2 . . . . . 452 VAL HG1 . 51320 1 1137 . 1 . 1 148 148 VAL HG12 H 1 0.596 0.020 . 2 . . . . . 452 VAL HG1 . 51320 1 1138 . 1 . 1 148 148 VAL HG13 H 1 0.596 0.020 . 2 . . . . . 452 VAL HG1 . 51320 1 1139 . 1 . 1 148 148 VAL HG21 H 1 0.592 0.020 . 2 . . . . . 452 VAL HG2 . 51320 1 1140 . 1 . 1 148 148 VAL HG22 H 1 0.592 0.020 . 2 . . . . . 452 VAL HG2 . 51320 1 1141 . 1 . 1 148 148 VAL HG23 H 1 0.592 0.020 . 2 . . . . . 452 VAL HG2 . 51320 1 1142 . 1 . 1 148 148 VAL C C 13 174.597 0.3 . 1 . . . . . 452 VAL C . 51320 1 1143 . 1 . 1 148 148 VAL CA C 13 59.810 0.3 . 1 . . . . . 452 VAL CA . 51320 1 1144 . 1 . 1 148 148 VAL CB C 13 34.866 0.3 . 1 . . . . . 452 VAL CB . 51320 1 1145 . 1 . 1 148 148 VAL CG1 C 13 21.341 0.3 . 1 . . . . . 452 VAL CG1 . 51320 1 1146 . 1 . 1 148 148 VAL CG2 C 13 21.579 0.3 . 1 . . . . . 452 VAL CG2 . 51320 1 1147 . 1 . 1 148 148 VAL N N 15 123.042 0.3 . 1 . . . . . 452 VAL N . 51320 1 1148 . 1 . 1 149 149 THR H H 1 8.813 0.020 . 1 . . . . . 453 THR H . 51320 1 1149 . 1 . 1 149 149 THR HA H 1 4.867 0.020 . 1 . . . . . 453 THR HA . 51320 1 1150 . 1 . 1 149 149 THR HB H 1 4.045 0.020 . 1 . . . . . 453 THR HB . 51320 1 1151 . 1 . 1 149 149 THR HG21 H 1 1.309 0.020 . 1 . . . . . 453 THR HG2 . 51320 1 1152 . 1 . 1 149 149 THR HG22 H 1 1.309 0.020 . 1 . . . . . 453 THR HG2 . 51320 1 1153 . 1 . 1 149 149 THR HG23 H 1 1.309 0.020 . 1 . . . . . 453 THR HG2 . 51320 1 1154 . 1 . 1 149 149 THR C C 13 172.128 0.3 . 1 . . . . . 453 THR C . 51320 1 1155 . 1 . 1 149 149 THR CA C 13 59.541 0.3 . 1 . . . . . 453 THR CA . 51320 1 1156 . 1 . 1 149 149 THR CB C 13 70.079 0.3 . 1 . . . . . 453 THR CB . 51320 1 1157 . 1 . 1 149 149 THR CG2 C 13 20.974 0.3 . 1 . . . . . 453 THR CG2 . 51320 1 1158 . 1 . 1 149 149 THR N N 15 127.711 0.3 . 1 . . . . . 453 THR N . 51320 1 1159 . 1 . 1 150 150 PRO HA H 1 4.207 0.020 . 1 . . . . . 454 PRO HA . 51320 1 1160 . 1 . 1 150 150 PRO HB2 H 1 1.743 0.020 . 2 . . . . . 454 PRO HB2 . 51320 1 1161 . 1 . 1 150 150 PRO HB3 H 1 1.941 0.020 . 2 . . . . . 454 PRO HB3 . 51320 1 1162 . 1 . 1 150 150 PRO HG2 H 1 1.576 0.020 . 2 . . . . . 454 PRO HG2 . 51320 1 1163 . 1 . 1 150 150 PRO HG3 H 1 1.661 0.020 . 2 . . . . . 454 PRO HG3 . 51320 1 1164 . 1 . 1 150 150 PRO HD2 H 1 1.736 0.020 . 2 . . . . . 454 PRO HD2 . 51320 1 1165 . 1 . 1 150 150 PRO HD3 H 1 3.225 0.020 . 2 . . . . . 454 PRO HD3 . 51320 1 1166 . 1 . 1 150 150 PRO C C 13 174.830 0.3 . 1 . . . . . 454 PRO C . 51320 1 1167 . 1 . 1 150 150 PRO CA C 13 62.573 0.3 . 1 . . . . . 454 PRO CA . 51320 1 1168 . 1 . 1 150 150 PRO CB C 13 32.472 0.3 . 1 . . . . . 454 PRO CB . 51320 1 1169 . 1 . 1 150 150 PRO CG C 13 27.139 0.3 . 1 . . . . . 454 PRO CG . 51320 1 1170 . 1 . 1 150 150 PRO CD C 13 49.835 0.3 . 1 . . . . . 454 PRO CD . 51320 1 1171 . 1 . 1 151 151 GLU H H 1 8.119 0.020 . 1 . . . . . 455 GLU H . 51320 1 1172 . 1 . 1 151 151 GLU HA H 1 4.670 0.020 . 1 . . . . . 455 GLU HA . 51320 1 1173 . 1 . 1 151 151 GLU HB2 H 1 1.780 0.020 . 2 . . . . . 455 GLU HB2 . 51320 1 1174 . 1 . 1 151 151 GLU HB3 H 1 2.098 0.020 . 2 . . . . . 455 GLU HB3 . 51320 1 1175 . 1 . 1 151 151 GLU HG2 H 1 2.287 0.020 . 1 . . . . . 455 GLU HG2 . 51320 1 1176 . 1 . 1 151 151 GLU HG3 H 1 2.287 0.020 . 1 . . . . . 455 GLU HG3 . 51320 1 1177 . 1 . 1 151 151 GLU C C 13 175.099 0.3 . 1 . . . . . 455 GLU C . 51320 1 1178 . 1 . 1 151 151 GLU CA C 13 54.082 0.3 . 1 . . . . . 455 GLU CA . 51320 1 1179 . 1 . 1 151 151 GLU CB C 13 33.369 0.3 . 1 . . . . . 455 GLU CB . 51320 1 1180 . 1 . 1 151 151 GLU CG C 13 36.154 0.3 . 1 . . . . . 455 GLU CG . 51320 1 1181 . 1 . 1 151 151 GLU N N 15 120.673 0.3 . 1 . . . . . 455 GLU N . 51320 1 1182 . 1 . 1 152 152 VAL H H 1 8.432 0.020 . 1 . . . . . 456 VAL H . 51320 1 1183 . 1 . 1 152 152 VAL HA H 1 4.600 0.020 . 1 . . . . . 456 VAL HA . 51320 1 1184 . 1 . 1 152 152 VAL HB H 1 1.915 0.020 . 1 . . . . . 456 VAL HB . 51320 1 1185 . 1 . 1 152 152 VAL HG11 H 1 0.818 0.020 . 2 . . . . . 456 VAL HG1 . 51320 1 1186 . 1 . 1 152 152 VAL HG12 H 1 0.818 0.020 . 2 . . . . . 456 VAL HG1 . 51320 1 1187 . 1 . 1 152 152 VAL HG13 H 1 0.818 0.020 . 2 . . . . . 456 VAL HG1 . 51320 1 1188 . 1 . 1 152 152 VAL HG21 H 1 0.847 0.020 . 2 . . . . . 456 VAL HG2 . 51320 1 1189 . 1 . 1 152 152 VAL HG22 H 1 0.847 0.020 . 2 . . . . . 456 VAL HG2 . 51320 1 1190 . 1 . 1 152 152 VAL HG23 H 1 0.847 0.020 . 2 . . . . . 456 VAL HG2 . 51320 1 1191 . 1 . 1 152 152 VAL C C 13 176.103 0.3 . 1 . . . . . 456 VAL C . 51320 1 1192 . 1 . 1 152 152 VAL CA C 13 61.831 0.3 . 1 . . . . . 456 VAL CA . 51320 1 1193 . 1 . 1 152 152 VAL CB C 13 32.745 0.3 . 1 . . . . . 456 VAL CB . 51320 1 1194 . 1 . 1 152 152 VAL CG1 C 13 21.425 0.3 . 1 . . . . . 456 VAL CG1 . 51320 1 1195 . 1 . 1 152 152 VAL CG2 C 13 20.918 0.3 . 1 . . . . . 456 VAL CG2 . 51320 1 1196 . 1 . 1 152 152 VAL N N 15 121.594 0.3 . 1 . . . . . 456 VAL N . 51320 1 1197 . 1 . 1 153 153 THR H H 1 8.405 0.020 . 1 . . . . . 457 THR H . 51320 1 1198 . 1 . 1 153 153 THR HA H 1 4.394 0.020 . 1 . . . . . 457 THR HA . 51320 1 1199 . 1 . 1 153 153 THR HB H 1 3.820 0.020 . 1 . . . . . 457 THR HB . 51320 1 1200 . 1 . 1 153 153 THR HG21 H 1 0.835 0.020 . 1 . . . . . 457 THR HG2 . 51320 1 1201 . 1 . 1 153 153 THR HG22 H 1 0.835 0.020 . 1 . . . . . 457 THR HG2 . 51320 1 1202 . 1 . 1 153 153 THR HG23 H 1 0.835 0.020 . 1 . . . . . 457 THR HG2 . 51320 1 1203 . 1 . 1 153 153 THR C C 13 173.145 0.3 . 1 . . . . . 457 THR C . 51320 1 1204 . 1 . 1 153 153 THR CA C 13 60.569 0.3 . 1 . . . . . 457 THR CA . 51320 1 1205 . 1 . 1 153 153 THR CB C 13 70.109 0.3 . 1 . . . . . 457 THR CB . 51320 1 1206 . 1 . 1 153 153 THR CG2 C 13 20.587 0.3 . 1 . . . . . 457 THR CG2 . 51320 1 1207 . 1 . 1 153 153 THR N N 15 120.680 0.3 . 1 . . . . . 457 THR N . 51320 1 1208 . 1 . 1 154 154 GLU H H 1 8.207 0.020 . 1 . . . . . 458 GLU H . 51320 1 1209 . 1 . 1 154 154 GLU HA H 1 4.338 0.020 . 1 . . . . . 458 GLU HA . 51320 1 1210 . 1 . 1 154 154 GLU HB2 H 1 1.790 0.020 . 2 . . . . . 458 GLU HB2 . 51320 1 1211 . 1 . 1 154 154 GLU HB3 H 1 1.978 0.020 . 2 . . . . . 458 GLU HB3 . 51320 1 1212 . 1 . 1 154 154 GLU HG2 H 1 2.184 0.020 . 1 . . . . . 458 GLU HG2 . 51320 1 1213 . 1 . 1 154 154 GLU HG3 H 1 2.184 0.020 . 1 . . . . . 458 GLU HG3 . 51320 1 1214 . 1 . 1 154 154 GLU C C 13 176.139 0.3 . 1 . . . . . 458 GLU C . 51320 1 1215 . 1 . 1 154 154 GLU CA C 13 55.916 0.3 . 1 . . . . . 458 GLU CA . 51320 1 1216 . 1 . 1 154 154 GLU CB C 13 30.352 0.3 . 1 . . . . . 458 GLU CB . 51320 1 1217 . 1 . 1 154 154 GLU CG C 13 35.834 0.3 . 1 . . . . . 458 GLU CG . 51320 1 1218 . 1 . 1 154 154 GLU N N 15 123.744 0.3 . 1 . . . . . 458 GLU N . 51320 1 1219 . 1 . 1 155 155 LEU H H 1 8.139 0.020 . 1 . . . . . 459 LEU H . 51320 1 1220 . 1 . 1 155 155 LEU HA H 1 4.198 0.020 . 1 . . . . . 459 LEU HA . 51320 1 1221 . 1 . 1 155 155 LEU HB2 H 1 1.468 0.020 . 1 . . . . . 459 LEU HB2 . 51320 1 1222 . 1 . 1 155 155 LEU HB3 H 1 1.468 0.020 . 1 . . . . . 459 LEU HB3 . 51320 1 1223 . 1 . 1 155 155 LEU HG H 1 1.470 0.020 . 1 . . . . . 459 LEU HG . 51320 1 1224 . 1 . 1 155 155 LEU HD11 H 1 0.727 0.020 . 2 . . . . . 459 LEU HD1 . 51320 1 1225 . 1 . 1 155 155 LEU HD12 H 1 0.727 0.020 . 2 . . . . . 459 LEU HD1 . 51320 1 1226 . 1 . 1 155 155 LEU HD13 H 1 0.727 0.020 . 2 . . . . . 459 LEU HD1 . 51320 1 1227 . 1 . 1 155 155 LEU HD21 H 1 0.768 0.020 . 2 . . . . . 459 LEU HD2 . 51320 1 1228 . 1 . 1 155 155 LEU HD22 H 1 0.768 0.020 . 2 . . . . . 459 LEU HD2 . 51320 1 1229 . 1 . 1 155 155 LEU HD23 H 1 0.768 0.020 . 2 . . . . . 459 LEU HD2 . 51320 1 1230 . 1 . 1 155 155 LEU C C 13 176.157 0.3 . 1 . . . . . 459 LEU C . 51320 1 1231 . 1 . 1 155 155 LEU CA C 13 55.088 0.3 . 1 . . . . . 459 LEU CA . 51320 1 1232 . 1 . 1 155 155 LEU CB C 13 42.393 0.3 . 1 . . . . . 459 LEU CB . 51320 1 1233 . 1 . 1 155 155 LEU CG C 13 26.769 0.3 . 1 . . . . . 459 LEU CG . 51320 1 1234 . 1 . 1 155 155 LEU CD1 C 13 23.305 0.3 . 1 . . . . . 459 LEU CD1 . 51320 1 1235 . 1 . 1 155 155 LEU CD2 C 13 24.819 0.3 . 1 . . . . . 459 LEU CD2 . 51320 1 1236 . 1 . 1 155 155 LEU N N 15 124.408 0.3 . 1 . . . . . 459 LEU N . 51320 1 1237 . 1 . 1 156 156 GLU H H 1 7.819 0.020 . 1 . . . . . 460 GLU H . 51320 1 1238 . 1 . 1 156 156 GLU HA H 1 3.989 0.020 . 1 . . . . . 460 GLU HA . 51320 1 1239 . 1 . 1 156 156 GLU HB2 H 1 1.770 0.020 . 2 . . . . . 460 GLU HB2 . 51320 1 1240 . 1 . 1 156 156 GLU HB3 H 1 1.919 0.020 . 2 . . . . . 460 GLU HB3 . 51320 1 1241 . 1 . 1 156 156 GLU HG2 H 1 2.080 0.020 . 1 . . . . . 460 GLU HG2 . 51320 1 1242 . 1 . 1 156 156 GLU HG3 H 1 2.080 0.020 . 1 . . . . . 460 GLU HG3 . 51320 1 1243 . 1 . 1 156 156 GLU CA C 13 57.845 0.3 . 1 . . . . . 460 GLU CA . 51320 1 1244 . 1 . 1 156 156 GLU CB C 13 31.105 0.3 . 1 . . . . . 460 GLU CB . 51320 1 1245 . 1 . 1 156 156 GLU CG C 13 36.559 0.3 . 1 . . . . . 460 GLU CG . 51320 1 1246 . 1 . 1 156 156 GLU N N 15 127.348 0.3 . 1 . . . . . 460 GLU N . 51320 1 stop_ save_