data_34475 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34475 _Entry.Title ; LEDGF/p75 dimer (residues 345-467) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-01-10 _Entry.Accession_date 2020-01-10 _Entry.Last_release_date 2020-07-14 _Entry.Original_release_date 2020-07-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 V. Lux V. . . . 34475 2 V. Veverka V. . . . 34475 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TRANSCRIPTION . 34475 'domain-swapped dimer' . 34475 'epigenetic reader' . 34475 'integrase-binding domain' . 34475 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34475 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 549 34475 '15N chemical shifts' 130 34475 '1H chemical shifts' 882 34475 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-09-07 . original BMRB . 34475 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6TVM 'BMRB Entry Tracking System' 34475 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34475 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis of the LEDGF/p75 dimerization ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 V. Lux V. . . . 34475 1 2 V. Veverka V. . . . 34475 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34475 _Assembly.ID 1 _Assembly.Name 'PC4 and SFRS1-interacting protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34475 1 2 unit_2 1 $entity_1 B B yes . . . . . . 34475 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34475 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SNAASETSMDSRLQRIHAEI KNSLKIDNLDVNRCIEALDE LASLQVTMQQAQKHTEMITT LKKIRRFKVSQVIMEKSTML YNKFKNMFLVGEGDSVITQV LNKSLAEQRQHEEANKTKDQ GKKGPNKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14644.854 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CLL-associated antigen KW-7' common 34475 1 'DFS 70' common 34475 1 'Dense fine speckles 70 kDa protein' common 34475 1 'Lens epithelium-derived growth factor' common 34475 1 'Transcriptional coactivator p75/p52' common 34475 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 340 SER . 34475 1 2 341 ASN . 34475 1 3 342 ALA . 34475 1 4 343 ALA . 34475 1 5 344 SER . 34475 1 6 345 GLU . 34475 1 7 346 THR . 34475 1 8 347 SER . 34475 1 9 348 MET . 34475 1 10 349 ASP . 34475 1 11 350 SER . 34475 1 12 351 ARG . 34475 1 13 352 LEU . 34475 1 14 353 GLN . 34475 1 15 354 ARG . 34475 1 16 355 ILE . 34475 1 17 356 HIS . 34475 1 18 357 ALA . 34475 1 19 358 GLU . 34475 1 20 359 ILE . 34475 1 21 360 LYS . 34475 1 22 361 ASN . 34475 1 23 362 SER . 34475 1 24 363 LEU . 34475 1 25 364 LYS . 34475 1 26 365 ILE . 34475 1 27 366 ASP . 34475 1 28 367 ASN . 34475 1 29 368 LEU . 34475 1 30 369 ASP . 34475 1 31 370 VAL . 34475 1 32 371 ASN . 34475 1 33 372 ARG . 34475 1 34 373 CYS . 34475 1 35 374 ILE . 34475 1 36 375 GLU . 34475 1 37 376 ALA . 34475 1 38 377 LEU . 34475 1 39 378 ASP . 34475 1 40 379 GLU . 34475 1 41 380 LEU . 34475 1 42 381 ALA . 34475 1 43 382 SER . 34475 1 44 383 LEU . 34475 1 45 384 GLN . 34475 1 46 385 VAL . 34475 1 47 386 THR . 34475 1 48 387 MET . 34475 1 49 388 GLN . 34475 1 50 389 GLN . 34475 1 51 390 ALA . 34475 1 52 391 GLN . 34475 1 53 392 LYS . 34475 1 54 393 HIS . 34475 1 55 394 THR . 34475 1 56 395 GLU . 34475 1 57 396 MET . 34475 1 58 397 ILE . 34475 1 59 398 THR . 34475 1 60 399 THR . 34475 1 61 400 LEU . 34475 1 62 401 LYS . 34475 1 63 402 LYS . 34475 1 64 403 ILE . 34475 1 65 404 ARG . 34475 1 66 405 ARG . 34475 1 67 406 PHE . 34475 1 68 407 LYS . 34475 1 69 408 VAL . 34475 1 70 409 SER . 34475 1 71 410 GLN . 34475 1 72 411 VAL . 34475 1 73 412 ILE . 34475 1 74 413 MET . 34475 1 75 414 GLU . 34475 1 76 415 LYS . 34475 1 77 416 SER . 34475 1 78 417 THR . 34475 1 79 418 MET . 34475 1 80 419 LEU . 34475 1 81 420 TYR . 34475 1 82 421 ASN . 34475 1 83 422 LYS . 34475 1 84 423 PHE . 34475 1 85 424 LYS . 34475 1 86 425 ASN . 34475 1 87 426 MET . 34475 1 88 427 PHE . 34475 1 89 428 LEU . 34475 1 90 429 VAL . 34475 1 91 430 GLY . 34475 1 92 431 GLU . 34475 1 93 432 GLY . 34475 1 94 433 ASP . 34475 1 95 434 SER . 34475 1 96 435 VAL . 34475 1 97 436 ILE . 34475 1 98 437 THR . 34475 1 99 438 GLN . 34475 1 100 439 VAL . 34475 1 101 440 LEU . 34475 1 102 441 ASN . 34475 1 103 442 LYS . 34475 1 104 443 SER . 34475 1 105 444 LEU . 34475 1 106 445 ALA . 34475 1 107 446 GLU . 34475 1 108 447 GLN . 34475 1 109 448 ARG . 34475 1 110 449 GLN . 34475 1 111 450 HIS . 34475 1 112 451 GLU . 34475 1 113 452 GLU . 34475 1 114 453 ALA . 34475 1 115 454 ASN . 34475 1 116 455 LYS . 34475 1 117 456 THR . 34475 1 118 457 LYS . 34475 1 119 458 ASP . 34475 1 120 459 GLN . 34475 1 121 460 GLY . 34475 1 122 461 LYS . 34475 1 123 462 LYS . 34475 1 124 463 GLY . 34475 1 125 464 PRO . 34475 1 126 465 ASN . 34475 1 127 466 LYS . 34475 1 128 467 LYS . 34475 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 34475 1 . ASN 2 2 34475 1 . ALA 3 3 34475 1 . ALA 4 4 34475 1 . SER 5 5 34475 1 . GLU 6 6 34475 1 . THR 7 7 34475 1 . SER 8 8 34475 1 . MET 9 9 34475 1 . ASP 10 10 34475 1 . SER 11 11 34475 1 . ARG 12 12 34475 1 . LEU 13 13 34475 1 . GLN 14 14 34475 1 . ARG 15 15 34475 1 . ILE 16 16 34475 1 . HIS 17 17 34475 1 . ALA 18 18 34475 1 . GLU 19 19 34475 1 . ILE 20 20 34475 1 . LYS 21 21 34475 1 . ASN 22 22 34475 1 . SER 23 23 34475 1 . LEU 24 24 34475 1 . LYS 25 25 34475 1 . ILE 26 26 34475 1 . ASP 27 27 34475 1 . ASN 28 28 34475 1 . LEU 29 29 34475 1 . ASP 30 30 34475 1 . VAL 31 31 34475 1 . ASN 32 32 34475 1 . ARG 33 33 34475 1 . CYS 34 34 34475 1 . ILE 35 35 34475 1 . GLU 36 36 34475 1 . ALA 37 37 34475 1 . LEU 38 38 34475 1 . ASP 39 39 34475 1 . GLU 40 40 34475 1 . LEU 41 41 34475 1 . ALA 42 42 34475 1 . SER 43 43 34475 1 . LEU 44 44 34475 1 . GLN 45 45 34475 1 . VAL 46 46 34475 1 . THR 47 47 34475 1 . MET 48 48 34475 1 . GLN 49 49 34475 1 . GLN 50 50 34475 1 . ALA 51 51 34475 1 . GLN 52 52 34475 1 . LYS 53 53 34475 1 . HIS 54 54 34475 1 . THR 55 55 34475 1 . GLU 56 56 34475 1 . MET 57 57 34475 1 . ILE 58 58 34475 1 . THR 59 59 34475 1 . THR 60 60 34475 1 . LEU 61 61 34475 1 . LYS 62 62 34475 1 . LYS 63 63 34475 1 . ILE 64 64 34475 1 . ARG 65 65 34475 1 . ARG 66 66 34475 1 . PHE 67 67 34475 1 . LYS 68 68 34475 1 . VAL 69 69 34475 1 . SER 70 70 34475 1 . GLN 71 71 34475 1 . VAL 72 72 34475 1 . ILE 73 73 34475 1 . MET 74 74 34475 1 . GLU 75 75 34475 1 . LYS 76 76 34475 1 . SER 77 77 34475 1 . THR 78 78 34475 1 . MET 79 79 34475 1 . LEU 80 80 34475 1 . TYR 81 81 34475 1 . ASN 82 82 34475 1 . LYS 83 83 34475 1 . PHE 84 84 34475 1 . LYS 85 85 34475 1 . ASN 86 86 34475 1 . MET 87 87 34475 1 . PHE 88 88 34475 1 . LEU 89 89 34475 1 . VAL 90 90 34475 1 . GLY 91 91 34475 1 . GLU 92 92 34475 1 . GLY 93 93 34475 1 . ASP 94 94 34475 1 . SER 95 95 34475 1 . VAL 96 96 34475 1 . ILE 97 97 34475 1 . THR 98 98 34475 1 . GLN 99 99 34475 1 . VAL 100 100 34475 1 . LEU 101 101 34475 1 . ASN 102 102 34475 1 . LYS 103 103 34475 1 . SER 104 104 34475 1 . LEU 105 105 34475 1 . ALA 106 106 34475 1 . GLU 107 107 34475 1 . GLN 108 108 34475 1 . ARG 109 109 34475 1 . GLN 110 110 34475 1 . HIS 111 111 34475 1 . GLU 112 112 34475 1 . GLU 113 113 34475 1 . ALA 114 114 34475 1 . ASN 115 115 34475 1 . LYS 116 116 34475 1 . THR 117 117 34475 1 . LYS 118 118 34475 1 . ASP 119 119 34475 1 . GLN 120 120 34475 1 . GLY 121 121 34475 1 . LYS 122 122 34475 1 . LYS 123 123 34475 1 . GLY 124 124 34475 1 . PRO 125 125 34475 1 . ASN 126 126 34475 1 . LYS 127 127 34475 1 . LYS 128 128 34475 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34475 _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 . . . . . . . . . . . 'PSIP1, DFS70, LEDGF, PSIP2' . 34475 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34475 _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' . . 562 Escherichia coli . . . . . . . . . . 34475 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34475 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-13C; U-15N] LEDGF, 20 mM HEPES, 100 mM sodium chloride, 1 mM TCEP, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 LEDGF '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34475 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 34475 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34475 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 34475 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 34475 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 34475 1 pH 7 . pH 34475 1 pressure 1 . atm 34475 1 temperature 298 . K 34475 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34475 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34475 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34475 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34475 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34475 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 34475 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34475 _Software.ID 3 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34475 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34475 3 . processing 34475 3 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 34475 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34475 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 850 . . . 34475 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34475 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34475 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34475 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34475 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34475 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34475 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34475 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34475 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34475 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 34475 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34475 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34475 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34475 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 34475 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34475 1 2 '2D 1H-13C HSQC' . . . 34475 1 3 '3D HNCACB' . . . 34475 1 4 '3D CBCA(CO)NH' . . . 34475 1 5 '3D HNCO' . . . 34475 1 6 '3D HCCH-TOCSY' . . . 34475 1 7 '3D 1H-15N NOESY' . . . 34475 1 8 '3D 1H-13C NOESY' . . . 34475 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 2 2 ASN HA H 1 4.781 0.000 . . . . . . A 341 ASN HA . 34475 1 2 . 1 . 1 2 2 ASN HB2 H 1 2.886 0.000 . . . . . . A 341 ASN HB2 . 34475 1 3 . 1 . 1 2 2 ASN HB3 H 1 2.801 0.000 . . . . . . A 341 ASN HB3 . 34475 1 4 . 1 . 1 2 2 ASN C C 13 175.091 0.000 . . . . . . A 341 ASN C . 34475 1 5 . 1 . 1 2 2 ASN CA C 13 53.186 0.000 . . . . . . A 341 ASN CA . 34475 1 6 . 1 . 1 2 2 ASN CB C 13 38.879 0.000 . . . . . . A 341 ASN CB . 34475 1 7 . 1 . 1 3 3 ALA H H 1 8.419 0.002 . . . . . . A 342 ALA H . 34475 1 8 . 1 . 1 3 3 ALA HA H 1 4.297 0.000 . . . . . . A 342 ALA HA . 34475 1 9 . 1 . 1 3 3 ALA HB1 H 1 1.401 0.000 . . . . . . A 342 ALA HB1 . 34475 1 10 . 1 . 1 3 3 ALA HB2 H 1 1.401 0.000 . . . . . . A 342 ALA HB2 . 34475 1 11 . 1 . 1 3 3 ALA HB3 H 1 1.401 0.000 . . . . . . A 342 ALA HB3 . 34475 1 12 . 1 . 1 3 3 ALA C C 13 177.826 0.002 . . . . . . A 342 ALA C . 34475 1 13 . 1 . 1 3 3 ALA CA C 13 53.018 0.055 . . . . . . A 342 ALA CA . 34475 1 14 . 1 . 1 3 3 ALA CB C 13 19.051 0.029 . . . . . . A 342 ALA CB . 34475 1 15 . 1 . 1 3 3 ALA N N 15 124.822 0.009 . . . . . . A 342 ALA N . 34475 1 16 . 1 . 1 4 4 ALA H H 1 8.318 0.001 . . . . . . A 343 ALA H . 34475 1 17 . 1 . 1 4 4 ALA HA H 1 4.330 0.000 . . . . . . A 343 ALA HA . 34475 1 18 . 1 . 1 4 4 ALA HB1 H 1 1.419 0.000 . . . . . . A 343 ALA HB1 . 34475 1 19 . 1 . 1 4 4 ALA HB2 H 1 1.419 0.000 . . . . . . A 343 ALA HB2 . 34475 1 20 . 1 . 1 4 4 ALA HB3 H 1 1.419 0.000 . . . . . . A 343 ALA HB3 . 34475 1 21 . 1 . 1 4 4 ALA C C 13 178.227 0.000 . . . . . . A 343 ALA C . 34475 1 22 . 1 . 1 4 4 ALA CA C 13 52.923 0.042 . . . . . . A 343 ALA CA . 34475 1 23 . 1 . 1 4 4 ALA CB C 13 18.997 0.018 . . . . . . A 343 ALA CB . 34475 1 24 . 1 . 1 4 4 ALA N N 15 123.061 0.003 . . . . . . A 343 ALA N . 34475 1 25 . 1 . 1 5 5 SER H H 1 8.223 0.001 . . . . . . A 344 SER H . 34475 1 26 . 1 . 1 5 5 SER HA H 1 4.425 0.000 . . . . . . A 344 SER HA . 34475 1 27 . 1 . 1 5 5 SER HB2 H 1 3.956 0.000 . . . . . . A 344 SER HB2 . 34475 1 28 . 1 . 1 5 5 SER HB3 H 1 3.903 0.000 . . . . . . A 344 SER HB3 . 34475 1 29 . 1 . 1 5 5 SER C C 13 175.081 0.000 . . . . . . A 344 SER C . 34475 1 30 . 1 . 1 5 5 SER CA C 13 58.719 0.073 . . . . . . A 344 SER CA . 34475 1 31 . 1 . 1 5 5 SER CB C 13 63.770 0.012 . . . . . . A 344 SER CB . 34475 1 32 . 1 . 1 5 5 SER N N 15 114.761 0.006 . . . . . . A 344 SER N . 34475 1 33 . 1 . 1 6 6 GLU H H 1 8.446 0.001 . . . . . . A 345 GLU H . 34475 1 34 . 1 . 1 6 6 GLU HA H 1 4.390 0.000 . . . . . . A 345 GLU HA . 34475 1 35 . 1 . 1 6 6 GLU HB2 H 1 2.127 0.000 . . . . . . A 345 GLU HB2 . 34475 1 36 . 1 . 1 6 6 GLU HB3 H 1 2.030 0.000 . . . . . . A 345 GLU HB3 . 34475 1 37 . 1 . 1 6 6 GLU HG2 H 1 2.333 0.000 . . . . . . A 345 GLU HG2 . 34475 1 38 . 1 . 1 6 6 GLU HG3 H 1 2.309 0.000 . . . . . . A 345 GLU HG3 . 34475 1 39 . 1 . 1 6 6 GLU C C 13 177.236 0.002 . . . . . . A 345 GLU C . 34475 1 40 . 1 . 1 6 6 GLU CA C 13 57.328 0.044 . . . . . . A 345 GLU CA . 34475 1 41 . 1 . 1 6 6 GLU CB C 13 30.125 0.082 . . . . . . A 345 GLU CB . 34475 1 42 . 1 . 1 6 6 GLU CG C 13 36.365 0.011 . . . . . . A 345 GLU CG . 34475 1 43 . 1 . 1 6 6 GLU N N 15 123.041 0.006 . . . . . . A 345 GLU N . 34475 1 44 . 1 . 1 7 7 THR H H 1 8.332 0.003 . . . . . . A 346 THR H . 34475 1 45 . 1 . 1 7 7 THR HA H 1 4.416 0.000 . . . . . . A 346 THR HA . 34475 1 46 . 1 . 1 7 7 THR HB H 1 4.362 0.000 . . . . . . A 346 THR HB . 34475 1 47 . 1 . 1 7 7 THR HG21 H 1 1.220 0.000 . . . . . . A 346 THR HG21 . 34475 1 48 . 1 . 1 7 7 THR HG22 H 1 1.220 0.000 . . . . . . A 346 THR HG22 . 34475 1 49 . 1 . 1 7 7 THR HG23 H 1 1.220 0.000 . . . . . . A 346 THR HG23 . 34475 1 50 . 1 . 1 7 7 THR C C 13 175.477 0.000 . . . . . . A 346 THR C . 34475 1 51 . 1 . 1 7 7 THR CA C 13 62.553 0.021 . . . . . . A 346 THR CA . 34475 1 52 . 1 . 1 7 7 THR CB C 13 69.950 0.029 . . . . . . A 346 THR CB . 34475 1 53 . 1 . 1 7 7 THR CG2 C 13 22.034 0.000 . . . . . . A 346 THR CG2 . 34475 1 54 . 1 . 1 7 7 THR N N 15 114.403 0.008 . . . . . . A 346 THR N . 34475 1 55 . 1 . 1 9 9 MET HA H 1 4.443 0.000 . . . . . . A 348 MET HA . 34475 1 56 . 1 . 1 9 9 MET HB2 H 1 2.233 0.000 . . . . . . A 348 MET HB2 . 34475 1 57 . 1 . 1 9 9 MET HB3 H 1 2.031 0.000 . . . . . . A 348 MET HB3 . 34475 1 58 . 1 . 1 9 9 MET HG2 H 1 2.652 0.006 . . . . . . A 348 MET HG2 . 34475 1 59 . 1 . 1 9 9 MET HG3 H 1 2.501 0.000 . . . . . . A 348 MET HG3 . 34475 1 60 . 1 . 1 9 9 MET HE1 H 1 2.121 0.000 . . . . . . A 348 MET HE1 . 34475 1 61 . 1 . 1 9 9 MET HE2 H 1 2.121 0.000 . . . . . . A 348 MET HE2 . 34475 1 62 . 1 . 1 9 9 MET HE3 H 1 2.121 0.000 . . . . . . A 348 MET HE3 . 34475 1 63 . 1 . 1 9 9 MET C C 13 177.893 0.000 . . . . . . A 348 MET C . 34475 1 64 . 1 . 1 9 9 MET CA C 13 57.294 0.017 . . . . . . A 348 MET CA . 34475 1 65 . 1 . 1 9 9 MET CB C 13 31.154 0.094 . . . . . . A 348 MET CB . 34475 1 66 . 1 . 1 9 9 MET CG C 13 32.202 0.006 . . . . . . A 348 MET CG . 34475 1 67 . 1 . 1 9 9 MET CE C 13 16.861 0.000 . . . . . . A 348 MET CE . 34475 1 68 . 1 . 1 10 10 ASP H H 1 8.367 0.002 . . . . . . A 349 ASP H . 34475 1 69 . 1 . 1 10 10 ASP HA H 1 4.461 0.000 . . . . . . A 349 ASP HA . 34475 1 70 . 1 . 1 10 10 ASP HB2 H 1 2.838 0.003 . . . . . . A 349 ASP HB2 . 34475 1 71 . 1 . 1 10 10 ASP HB3 H 1 2.838 0.003 . . . . . . A 349 ASP HB3 . 34475 1 72 . 1 . 1 10 10 ASP C C 13 178.223 0.004 . . . . . . A 349 ASP C . 34475 1 73 . 1 . 1 10 10 ASP CA C 13 58.395 0.020 . . . . . . A 349 ASP CA . 34475 1 74 . 1 . 1 10 10 ASP CB C 13 40.993 0.071 . . . . . . A 349 ASP CB . 34475 1 75 . 1 . 1 10 10 ASP N N 15 118.770 0.014 . . . . . . A 349 ASP N . 34475 1 76 . 1 . 1 11 11 SER H H 1 7.989 0.002 . . . . . . A 350 SER H . 34475 1 77 . 1 . 1 11 11 SER HA H 1 4.252 0.000 . . . . . . A 350 SER HA . 34475 1 78 . 1 . 1 11 11 SER HB2 H 1 4.000 0.000 . . . . . . A 350 SER HB2 . 34475 1 79 . 1 . 1 11 11 SER HB3 H 1 4.000 0.000 . . . . . . A 350 SER HB3 . 34475 1 80 . 1 . 1 11 11 SER C C 13 177.287 0.000 . . . . . . A 350 SER C . 34475 1 81 . 1 . 1 11 11 SER CA C 13 61.620 0.015 . . . . . . A 350 SER CA . 34475 1 82 . 1 . 1 11 11 SER CB C 13 62.748 0.017 . . . . . . A 350 SER CB . 34475 1 83 . 1 . 1 11 11 SER N N 15 114.508 0.011 . . . . . . A 350 SER N . 34475 1 84 . 1 . 1 12 12 ARG H H 1 8.066 0.003 . . . . . . A 351 ARG H . 34475 1 85 . 1 . 1 12 12 ARG HA H 1 4.066 0.000 . . . . . . A 351 ARG HA . 34475 1 86 . 1 . 1 12 12 ARG HB2 H 1 1.975 0.006 . . . . . . A 351 ARG HB2 . 34475 1 87 . 1 . 1 12 12 ARG HB3 H 1 1.975 0.006 . . . . . . A 351 ARG HB3 . 34475 1 88 . 1 . 1 12 12 ARG HG2 H 1 1.819 0.005 . . . . . . A 351 ARG HG2 . 34475 1 89 . 1 . 1 12 12 ARG HG3 H 1 1.596 0.000 . . . . . . A 351 ARG HG3 . 34475 1 90 . 1 . 1 12 12 ARG HD2 H 1 3.178 0.000 . . . . . . A 351 ARG HD2 . 34475 1 91 . 1 . 1 12 12 ARG HD3 H 1 3.178 0.000 . . . . . . A 351 ARG HD3 . 34475 1 92 . 1 . 1 12 12 ARG C C 13 178.452 0.000 . . . . . . A 351 ARG C . 34475 1 93 . 1 . 1 12 12 ARG CA C 13 59.715 0.069 . . . . . . A 351 ARG CA . 34475 1 94 . 1 . 1 12 12 ARG CB C 13 30.493 0.034 . . . . . . A 351 ARG CB . 34475 1 95 . 1 . 1 12 12 ARG CG C 13 27.204 0.045 . . . . . . A 351 ARG CG . 34475 1 96 . 1 . 1 12 12 ARG CD C 13 43.990 0.000 . . . . . . A 351 ARG CD . 34475 1 97 . 1 . 1 12 12 ARG N N 15 123.798 0.008 . . . . . . A 351 ARG N . 34475 1 98 . 1 . 1 13 13 LEU H H 1 8.446 0.003 . . . . . . A 352 LEU H . 34475 1 99 . 1 . 1 13 13 LEU HA H 1 3.830 0.008 . . . . . . A 352 LEU HA . 34475 1 100 . 1 . 1 13 13 LEU HB2 H 1 1.303 0.000 . . . . . . A 352 LEU HB2 . 34475 1 101 . 1 . 1 13 13 LEU HB3 H 1 0.709 0.000 . . . . . . A 352 LEU HB3 . 34475 1 102 . 1 . 1 13 13 LEU HG H 1 1.594 0.005 . . . . . . A 352 LEU HG . 34475 1 103 . 1 . 1 13 13 LEU HD11 H 1 0.382 0.006 . . . . . . A 352 LEU HD11 . 34475 1 104 . 1 . 1 13 13 LEU HD12 H 1 0.382 0.006 . . . . . . A 352 LEU HD12 . 34475 1 105 . 1 . 1 13 13 LEU HD13 H 1 0.382 0.006 . . . . . . A 352 LEU HD13 . 34475 1 106 . 1 . 1 13 13 LEU HD21 H 1 0.544 0.004 . . . . . . A 352 LEU HD21 . 34475 1 107 . 1 . 1 13 13 LEU HD22 H 1 0.544 0.004 . . . . . . A 352 LEU HD22 . 34475 1 108 . 1 . 1 13 13 LEU HD23 H 1 0.544 0.004 . . . . . . A 352 LEU HD23 . 34475 1 109 . 1 . 1 13 13 LEU C C 13 179.566 0.000 . . . . . . A 352 LEU C . 34475 1 110 . 1 . 1 13 13 LEU CA C 13 58.180 0.027 . . . . . . A 352 LEU CA . 34475 1 111 . 1 . 1 13 13 LEU CB C 13 40.579 0.067 . . . . . . A 352 LEU CB . 34475 1 112 . 1 . 1 13 13 LEU CG C 13 26.396 0.114 . . . . . . A 352 LEU CG . 34475 1 113 . 1 . 1 13 13 LEU CD1 C 13 25.351 0.020 . . . . . . A 352 LEU CD1 . 34475 1 114 . 1 . 1 13 13 LEU CD2 C 13 23.366 0.024 . . . . . . A 352 LEU CD2 . 34475 1 115 . 1 . 1 13 13 LEU N N 15 118.430 0.019 . . . . . . A 352 LEU N . 34475 1 116 . 1 . 1 14 14 GLN H H 1 8.220 0.003 . . . . . . A 353 GLN H . 34475 1 117 . 1 . 1 14 14 GLN HA H 1 4.279 0.000 . . . . . . A 353 GLN HA . 34475 1 118 . 1 . 1 14 14 GLN HB2 H 1 2.333 0.000 . . . . . . A 353 GLN HB2 . 34475 1 119 . 1 . 1 14 14 GLN HB3 H 1 2.236 0.000 . . . . . . A 353 GLN HB3 . 34475 1 120 . 1 . 1 14 14 GLN HG2 H 1 2.756 0.000 . . . . . . A 353 GLN HG2 . 34475 1 121 . 1 . 1 14 14 GLN HG3 H 1 2.602 0.000 . . . . . . A 353 GLN HG3 . 34475 1 122 . 1 . 1 14 14 GLN HE21 H 1 6.903 0.000 . . . . . . A 353 GLN HE21 . 34475 1 123 . 1 . 1 14 14 GLN HE22 H 1 7.540 0.000 . . . . . . A 353 GLN HE22 . 34475 1 124 . 1 . 1 14 14 GLN C C 13 179.195 0.000 . . . . . . A 353 GLN C . 34475 1 125 . 1 . 1 14 14 GLN CA C 13 59.533 0.039 . . . . . . A 353 GLN CA . 34475 1 126 . 1 . 1 14 14 GLN CB C 13 28.357 0.098 . . . . . . A 353 GLN CB . 34475 1 127 . 1 . 1 14 14 GLN CG C 13 34.448 0.033 . . . . . . A 353 GLN CG . 34475 1 128 . 1 . 1 14 14 GLN N N 15 119.114 0.006 . . . . . . A 353 GLN N . 34475 1 129 . 1 . 1 14 14 GLN NE2 N 15 111.346 0.002 . . . . . . A 353 GLN NE2 . 34475 1 130 . 1 . 1 15 15 ARG H H 1 7.986 0.003 . . . . . . A 354 ARG H . 34475 1 131 . 1 . 1 15 15 ARG HA H 1 4.184 0.009 . . . . . . A 354 ARG HA . 34475 1 132 . 1 . 1 15 15 ARG HB2 H 1 2.079 0.004 . . . . . . A 354 ARG HB2 . 34475 1 133 . 1 . 1 15 15 ARG HB3 H 1 1.954 0.002 . . . . . . A 354 ARG HB3 . 34475 1 134 . 1 . 1 15 15 ARG HG2 H 1 1.757 0.010 . . . . . . A 354 ARG HG2 . 34475 1 135 . 1 . 1 15 15 ARG HG3 H 1 1.654 0.000 . . . . . . A 354 ARG HG3 . 34475 1 136 . 1 . 1 15 15 ARG HD2 H 1 3.299 0.000 . . . . . . A 354 ARG HD2 . 34475 1 137 . 1 . 1 15 15 ARG HD3 H 1 3.180 0.000 . . . . . . A 354 ARG HD3 . 34475 1 138 . 1 . 1 15 15 ARG C C 13 178.743 0.000 . . . . . . A 354 ARG C . 34475 1 139 . 1 . 1 15 15 ARG CA C 13 59.678 0.026 . . . . . . A 354 ARG CA . 34475 1 140 . 1 . 1 15 15 ARG CB C 13 28.938 0.052 . . . . . . A 354 ARG CB . 34475 1 141 . 1 . 1 15 15 ARG CG C 13 26.949 0.167 . . . . . . A 354 ARG CG . 34475 1 142 . 1 . 1 15 15 ARG CD C 13 44.157 0.000 . . . . . . A 354 ARG CD . 34475 1 143 . 1 . 1 15 15 ARG N N 15 122.035 0.007 . . . . . . A 354 ARG N . 34475 1 144 . 1 . 1 16 16 ILE H H 1 8.431 0.005 . . . . . . A 355 ILE H . 34475 1 145 . 1 . 1 16 16 ILE HA H 1 3.630 0.008 . . . . . . A 355 ILE HA . 34475 1 146 . 1 . 1 16 16 ILE HB H 1 1.804 0.003 . . . . . . A 355 ILE HB . 34475 1 147 . 1 . 1 16 16 ILE HG12 H 1 1.891 0.004 . . . . . . A 355 ILE HG12 . 34475 1 148 . 1 . 1 16 16 ILE HG13 H 1 1.054 0.008 . . . . . . A 355 ILE HG13 . 34475 1 149 . 1 . 1 16 16 ILE HG21 H 1 0.968 0.006 . . . . . . A 355 ILE HG21 . 34475 1 150 . 1 . 1 16 16 ILE HG22 H 1 0.968 0.006 . . . . . . A 355 ILE HG22 . 34475 1 151 . 1 . 1 16 16 ILE HG23 H 1 0.968 0.006 . . . . . . A 355 ILE HG23 . 34475 1 152 . 1 . 1 16 16 ILE HD11 H 1 0.749 0.000 . . . . . . A 355 ILE HD11 . 34475 1 153 . 1 . 1 16 16 ILE HD12 H 1 0.749 0.000 . . . . . . A 355 ILE HD12 . 34475 1 154 . 1 . 1 16 16 ILE HD13 H 1 0.749 0.000 . . . . . . A 355 ILE HD13 . 34475 1 155 . 1 . 1 16 16 ILE C C 13 177.712 0.000 . . . . . . A 355 ILE C . 34475 1 156 . 1 . 1 16 16 ILE CA C 13 65.794 0.066 . . . . . . A 355 ILE CA . 34475 1 157 . 1 . 1 16 16 ILE CB C 13 38.789 0.012 . . . . . . A 355 ILE CB . 34475 1 158 . 1 . 1 16 16 ILE CG1 C 13 30.298 0.012 . . . . . . A 355 ILE CG1 . 34475 1 159 . 1 . 1 16 16 ILE CG2 C 13 18.426 0.008 . . . . . . A 355 ILE CG2 . 34475 1 160 . 1 . 1 16 16 ILE CD1 C 13 15.397 0.006 . . . . . . A 355 ILE CD1 . 34475 1 161 . 1 . 1 16 16 ILE N N 15 120.786 0.014 . . . . . . A 355 ILE N . 34475 1 162 . 1 . 1 17 17 HIS H H 1 8.469 0.005 . . . . . . A 356 HIS H . 34475 1 163 . 1 . 1 17 17 HIS HA H 1 4.321 0.000 . . . . . . A 356 HIS HA . 34475 1 164 . 1 . 1 17 17 HIS HB2 H 1 3.262 0.004 . . . . . . A 356 HIS HB2 . 34475 1 165 . 1 . 1 17 17 HIS HB3 H 1 3.425 0.000 . . . . . . A 356 HIS HB3 . 34475 1 166 . 1 . 1 17 17 HIS HD2 H 1 6.835 0.000 . . . . . . A 356 HIS HD2 . 34475 1 167 . 1 . 1 17 17 HIS C C 13 176.711 0.000 . . . . . . A 356 HIS C . 34475 1 168 . 1 . 1 17 17 HIS CA C 13 57.997 0.024 . . . . . . A 356 HIS CA . 34475 1 169 . 1 . 1 17 17 HIS CB C 13 29.838 0.020 . . . . . . A 356 HIS CB . 34475 1 170 . 1 . 1 17 17 HIS N N 15 117.910 0.027 . . . . . . A 356 HIS N . 34475 1 171 . 1 . 1 18 18 ALA H H 1 7.954 0.002 . . . . . . A 357 ALA H . 34475 1 172 . 1 . 1 18 18 ALA HA H 1 3.835 0.000 . . . . . . A 357 ALA HA . 34475 1 173 . 1 . 1 18 18 ALA HB1 H 1 1.514 0.002 . . . . . . A 357 ALA HB1 . 34475 1 174 . 1 . 1 18 18 ALA HB2 H 1 1.514 0.002 . . . . . . A 357 ALA HB2 . 34475 1 175 . 1 . 1 18 18 ALA HB3 H 1 1.514 0.002 . . . . . . A 357 ALA HB3 . 34475 1 176 . 1 . 1 18 18 ALA C C 13 179.768 0.000 . . . . . . A 357 ALA C . 34475 1 177 . 1 . 1 18 18 ALA CA C 13 55.522 0.004 . . . . . . A 357 ALA CA . 34475 1 178 . 1 . 1 18 18 ALA CB C 13 17.781 0.013 . . . . . . A 357 ALA CB . 34475 1 179 . 1 . 1 18 18 ALA N N 15 119.736 0.008 . . . . . . A 357 ALA N . 34475 1 180 . 1 . 1 19 19 GLU H H 1 8.438 0.002 . . . . . . A 358 GLU H . 34475 1 181 . 1 . 1 19 19 GLU HA H 1 4.301 0.000 . . . . . . A 358 GLU HA . 34475 1 182 . 1 . 1 19 19 GLU HB2 H 1 1.858 0.000 . . . . . . A 358 GLU HB2 . 34475 1 183 . 1 . 1 19 19 GLU HB3 H 1 1.811 0.000 . . . . . . A 358 GLU HB3 . 34475 1 184 . 1 . 1 19 19 GLU HG2 H 1 2.378 0.000 . . . . . . A 358 GLU HG2 . 34475 1 185 . 1 . 1 19 19 GLU HG3 H 1 2.378 0.000 . . . . . . A 358 GLU HG3 . 34475 1 186 . 1 . 1 19 19 GLU C C 13 179.944 0.000 . . . . . . A 358 GLU C . 34475 1 187 . 1 . 1 19 19 GLU CA C 13 59.289 0.056 . . . . . . A 358 GLU CA . 34475 1 188 . 1 . 1 19 19 GLU CB C 13 30.490 0.131 . . . . . . A 358 GLU CB . 34475 1 189 . 1 . 1 19 19 GLU CG C 13 36.611 0.023 . . . . . . A 358 GLU CG . 34475 1 190 . 1 . 1 19 19 GLU N N 15 118.570 0.009 . . . . . . A 358 GLU N . 34475 1 191 . 1 . 1 20 20 ILE H H 1 8.336 0.004 . . . . . . A 359 ILE H . 34475 1 192 . 1 . 1 20 20 ILE HA H 1 3.569 0.002 . . . . . . A 359 ILE HA . 34475 1 193 . 1 . 1 20 20 ILE HB H 1 2.042 0.006 . . . . . . A 359 ILE HB . 34475 1 194 . 1 . 1 20 20 ILE HG12 H 1 2.065 0.000 . . . . . . A 359 ILE HG12 . 34475 1 195 . 1 . 1 20 20 ILE HG13 H 1 0.923 0.001 . . . . . . A 359 ILE HG13 . 34475 1 196 . 1 . 1 20 20 ILE HG21 H 1 0.778 0.004 . . . . . . A 359 ILE HG21 . 34475 1 197 . 1 . 1 20 20 ILE HG22 H 1 0.778 0.004 . . . . . . A 359 ILE HG22 . 34475 1 198 . 1 . 1 20 20 ILE HG23 H 1 0.778 0.004 . . . . . . A 359 ILE HG23 . 34475 1 199 . 1 . 1 20 20 ILE HD11 H 1 0.762 0.005 . . . . . . A 359 ILE HD11 . 34475 1 200 . 1 . 1 20 20 ILE HD12 H 1 0.762 0.005 . . . . . . A 359 ILE HD12 . 34475 1 201 . 1 . 1 20 20 ILE HD13 H 1 0.762 0.005 . . . . . . A 359 ILE HD13 . 34475 1 202 . 1 . 1 20 20 ILE C C 13 177.561 0.000 . . . . . . A 359 ILE C . 34475 1 203 . 1 . 1 20 20 ILE CA C 13 66.302 0.035 . . . . . . A 359 ILE CA . 34475 1 204 . 1 . 1 20 20 ILE CB C 13 38.692 0.058 . . . . . . A 359 ILE CB . 34475 1 205 . 1 . 1 20 20 ILE CG1 C 13 29.212 0.031 . . . . . . A 359 ILE CG1 . 34475 1 206 . 1 . 1 20 20 ILE CG2 C 13 17.567 0.010 . . . . . . A 359 ILE CG2 . 34475 1 207 . 1 . 1 20 20 ILE CD1 C 13 14.390 0.014 . . . . . . A 359 ILE CD1 . 34475 1 208 . 1 . 1 20 20 ILE N N 15 120.648 0.019 . . . . . . A 359 ILE N . 34475 1 209 . 1 . 1 21 21 LYS H H 1 8.155 0.005 . . . . . . A 360 LYS H . 34475 1 210 . 1 . 1 21 21 LYS HA H 1 3.765 0.006 . . . . . . A 360 LYS HA . 34475 1 211 . 1 . 1 21 21 LYS HB2 H 1 1.682 0.010 . . . . . . A 360 LYS HB2 . 34475 1 212 . 1 . 1 21 21 LYS HB3 H 1 1.610 0.001 . . . . . . A 360 LYS HB3 . 34475 1 213 . 1 . 1 21 21 LYS HG2 H 1 1.406 0.000 . . . . . . A 360 LYS HG2 . 34475 1 214 . 1 . 1 21 21 LYS HG3 H 1 1.290 0.006 . . . . . . A 360 LYS HG3 . 34475 1 215 . 1 . 1 21 21 LYS HD2 H 1 1.444 0.000 . . . . . . A 360 LYS HD2 . 34475 1 216 . 1 . 1 21 21 LYS HD3 H 1 1.380 0.000 . . . . . . A 360 LYS HD3 . 34475 1 217 . 1 . 1 21 21 LYS HE2 H 1 2.640 0.000 . . . . . . A 360 LYS HE2 . 34475 1 218 . 1 . 1 21 21 LYS HE3 H 1 2.165 0.000 . . . . . . A 360 LYS HE3 . 34475 1 219 . 1 . 1 21 21 LYS C C 13 180.287 0.000 . . . . . . A 360 LYS C . 34475 1 220 . 1 . 1 21 21 LYS CA C 13 60.401 0.047 . . . . . . A 360 LYS CA . 34475 1 221 . 1 . 1 21 21 LYS CB C 13 32.167 0.104 . . . . . . A 360 LYS CB . 34475 1 222 . 1 . 1 21 21 LYS CG C 13 25.631 0.019 . . . . . . A 360 LYS CG . 34475 1 223 . 1 . 1 21 21 LYS CD C 13 29.292 0.023 . . . . . . A 360 LYS CD . 34475 1 224 . 1 . 1 21 21 LYS CE C 13 41.123 0.017 . . . . . . A 360 LYS CE . 34475 1 225 . 1 . 1 21 21 LYS N N 15 116.301 0.050 . . . . . . A 360 LYS N . 34475 1 226 . 1 . 1 22 22 ASN H H 1 8.762 0.001 . . . . . . A 361 ASN H . 34475 1 227 . 1 . 1 22 22 ASN HA H 1 4.427 0.000 . . . . . . A 361 ASN HA . 34475 1 228 . 1 . 1 22 22 ASN HB2 H 1 2.824 0.000 . . . . . . A 361 ASN HB2 . 34475 1 229 . 1 . 1 22 22 ASN HB3 H 1 2.744 0.000 . . . . . . A 361 ASN HB3 . 34475 1 230 . 1 . 1 22 22 ASN HD21 H 1 7.423 0.000 . . . . . . A 361 ASN HD21 . 34475 1 231 . 1 . 1 22 22 ASN HD22 H 1 7.004 0.000 . . . . . . A 361 ASN HD22 . 34475 1 232 . 1 . 1 22 22 ASN C C 13 177.728 0.000 . . . . . . A 361 ASN C . 34475 1 233 . 1 . 1 22 22 ASN CA C 13 55.768 0.017 . . . . . . A 361 ASN CA . 34475 1 234 . 1 . 1 22 22 ASN CB C 13 38.299 0.065 . . . . . . A 361 ASN CB . 34475 1 235 . 1 . 1 22 22 ASN N N 15 115.953 0.007 . . . . . . A 361 ASN N . 34475 1 236 . 1 . 1 22 22 ASN ND2 N 15 112.770 0.006 . . . . . . A 361 ASN ND2 . 34475 1 237 . 1 . 1 23 23 SER H H 1 7.912 0.002 . . . . . . A 362 SER H . 34475 1 238 . 1 . 1 23 23 SER HA H 1 4.345 0.000 . . . . . . A 362 SER HA . 34475 1 239 . 1 . 1 23 23 SER HB2 H 1 4.254 0.000 . . . . . . A 362 SER HB2 . 34475 1 240 . 1 . 1 23 23 SER HB3 H 1 4.002 0.000 . . . . . . A 362 SER HB3 . 34475 1 241 . 1 . 1 23 23 SER C C 13 173.467 0.000 . . . . . . A 362 SER C . 34475 1 242 . 1 . 1 23 23 SER CA C 13 61.532 0.049 . . . . . . A 362 SER CA . 34475 1 243 . 1 . 1 23 23 SER CB C 13 63.316 0.007 . . . . . . A 362 SER CB . 34475 1 244 . 1 . 1 23 23 SER N N 15 114.973 0.008 . . . . . . A 362 SER N . 34475 1 245 . 1 . 1 24 24 LEU H H 1 6.832 0.003 . . . . . . A 363 LEU H . 34475 1 246 . 1 . 1 24 24 LEU HA H 1 4.425 0.000 . . . . . . A 363 LEU HA . 34475 1 247 . 1 . 1 24 24 LEU HB2 H 1 1.496 0.003 . . . . . . A 363 LEU HB2 . 34475 1 248 . 1 . 1 24 24 LEU HB3 H 1 1.368 0.000 . . . . . . A 363 LEU HB3 . 34475 1 249 . 1 . 1 24 24 LEU HG H 1 1.825 0.001 . . . . . . A 363 LEU HG . 34475 1 250 . 1 . 1 24 24 LEU HD11 H 1 0.588 0.000 . . . . . . A 363 LEU HD11 . 34475 1 251 . 1 . 1 24 24 LEU HD12 H 1 0.588 0.000 . . . . . . A 363 LEU HD12 . 34475 1 252 . 1 . 1 24 24 LEU HD13 H 1 0.588 0.000 . . . . . . A 363 LEU HD13 . 34475 1 253 . 1 . 1 24 24 LEU HD21 H 1 0.475 0.000 . . . . . . A 363 LEU HD21 . 34475 1 254 . 1 . 1 24 24 LEU HD22 H 1 0.475 0.000 . . . . . . A 363 LEU HD22 . 34475 1 255 . 1 . 1 24 24 LEU HD23 H 1 0.475 0.000 . . . . . . A 363 LEU HD23 . 34475 1 256 . 1 . 1 24 24 LEU C C 13 176.354 0.000 . . . . . . A 363 LEU C . 34475 1 257 . 1 . 1 24 24 LEU CA C 13 53.745 0.052 . . . . . . A 363 LEU CA . 34475 1 258 . 1 . 1 24 24 LEU CB C 13 41.011 0.047 . . . . . . A 363 LEU CB . 34475 1 259 . 1 . 1 24 24 LEU CG C 13 25.731 0.065 . . . . . . A 363 LEU CG . 34475 1 260 . 1 . 1 24 24 LEU CD1 C 13 26.278 0.000 . . . . . . A 363 LEU CD1 . 34475 1 261 . 1 . 1 24 24 LEU CD2 C 13 21.865 0.006 . . . . . . A 363 LEU CD2 . 34475 1 262 . 1 . 1 24 24 LEU N N 15 118.626 0.014 . . . . . . A 363 LEU N . 34475 1 263 . 1 . 1 25 25 LYS H H 1 6.967 0.004 . . . . . . A 364 LYS H . 34475 1 264 . 1 . 1 25 25 LYS HA H 1 4.246 0.000 . . . . . . A 364 LYS HA . 34475 1 265 . 1 . 1 25 25 LYS HB2 H 1 1.906 0.006 . . . . . . A 364 LYS HB2 . 34475 1 266 . 1 . 1 25 25 LYS HB3 H 1 1.759 0.001 . . . . . . A 364 LYS HB3 . 34475 1 267 . 1 . 1 25 25 LYS HG2 H 1 1.713 0.000 . . . . . . A 364 LYS HG2 . 34475 1 268 . 1 . 1 25 25 LYS HG3 H 1 1.510 0.000 . . . . . . A 364 LYS HG3 . 34475 1 269 . 1 . 1 25 25 LYS HD2 H 1 1.781 0.000 . . . . . . A 364 LYS HD2 . 34475 1 270 . 1 . 1 25 25 LYS HD3 H 1 1.781 0.000 . . . . . . A 364 LYS HD3 . 34475 1 271 . 1 . 1 25 25 LYS HE2 H 1 3.059 0.002 . . . . . . A 364 LYS HE2 . 34475 1 272 . 1 . 1 25 25 LYS HE3 H 1 3.059 0.002 . . . . . . A 364 LYS HE3 . 34475 1 273 . 1 . 1 25 25 LYS C C 13 178.342 0.000 . . . . . . A 364 LYS C . 34475 1 274 . 1 . 1 25 25 LYS CA C 13 56.584 0.054 . . . . . . A 364 LYS CA . 34475 1 275 . 1 . 1 25 25 LYS CB C 13 33.126 0.059 . . . . . . A 364 LYS CB . 34475 1 276 . 1 . 1 25 25 LYS CG C 13 25.103 0.050 . . . . . . A 364 LYS CG . 34475 1 277 . 1 . 1 25 25 LYS CD C 13 29.444 0.000 . . . . . . A 364 LYS CD . 34475 1 278 . 1 . 1 25 25 LYS CE C 13 42.253 0.000 . . . . . . A 364 LYS CE . 34475 1 279 . 1 . 1 25 25 LYS N N 15 121.534 0.024 . . . . . . A 364 LYS N . 34475 1 280 . 1 . 1 26 26 ILE H H 1 8.263 0.003 . . . . . . A 365 ILE H . 34475 1 281 . 1 . 1 26 26 ILE HA H 1 3.886 0.000 . . . . . . A 365 ILE HA . 34475 1 282 . 1 . 1 26 26 ILE HB H 1 1.956 0.005 . . . . . . A 365 ILE HB . 34475 1 283 . 1 . 1 26 26 ILE HG12 H 1 1.557 0.000 . . . . . . A 365 ILE HG12 . 34475 1 284 . 1 . 1 26 26 ILE HG13 H 1 1.394 0.000 . . . . . . A 365 ILE HG13 . 34475 1 285 . 1 . 1 26 26 ILE HG21 H 1 1.009 0.000 . . . . . . A 365 ILE HG21 . 34475 1 286 . 1 . 1 26 26 ILE HG22 H 1 1.009 0.000 . . . . . . A 365 ILE HG22 . 34475 1 287 . 1 . 1 26 26 ILE HG23 H 1 1.009 0.000 . . . . . . A 365 ILE HG23 . 34475 1 288 . 1 . 1 26 26 ILE HD11 H 1 0.970 0.000 . . . . . . A 365 ILE HD11 . 34475 1 289 . 1 . 1 26 26 ILE HD12 H 1 0.970 0.000 . . . . . . A 365 ILE HD12 . 34475 1 290 . 1 . 1 26 26 ILE HD13 H 1 0.970 0.000 . . . . . . A 365 ILE HD13 . 34475 1 291 . 1 . 1 26 26 ILE C C 13 176.566 0.000 . . . . . . A 365 ILE C . 34475 1 292 . 1 . 1 26 26 ILE CA C 13 63.560 0.036 . . . . . . A 365 ILE CA . 34475 1 293 . 1 . 1 26 26 ILE CB C 13 38.096 0.064 . . . . . . A 365 ILE CB . 34475 1 294 . 1 . 1 26 26 ILE CG1 C 13 28.181 0.008 . . . . . . A 365 ILE CG1 . 34475 1 295 . 1 . 1 26 26 ILE CG2 C 13 17.632 0.057 . . . . . . A 365 ILE CG2 . 34475 1 296 . 1 . 1 26 26 ILE CD1 C 13 13.306 0.004 . . . . . . A 365 ILE CD1 . 34475 1 297 . 1 . 1 26 26 ILE N N 15 122.577 0.024 . . . . . . A 365 ILE N . 34475 1 298 . 1 . 1 27 27 ASP H H 1 8.425 0.005 . . . . . . A 366 ASP H . 34475 1 299 . 1 . 1 27 27 ASP HA H 1 4.534 0.000 . . . . . . A 366 ASP HA . 34475 1 300 . 1 . 1 27 27 ASP HB2 H 1 2.768 0.008 . . . . . . A 366 ASP HB2 . 34475 1 301 . 1 . 1 27 27 ASP HB3 H 1 2.692 0.001 . . . . . . A 366 ASP HB3 . 34475 1 302 . 1 . 1 27 27 ASP C C 13 175.848 0.000 . . . . . . A 366 ASP C . 34475 1 303 . 1 . 1 27 27 ASP CA C 13 54.493 0.010 . . . . . . A 366 ASP CA . 34475 1 304 . 1 . 1 27 27 ASP CB C 13 40.252 0.103 . . . . . . A 366 ASP CB . 34475 1 305 . 1 . 1 27 27 ASP N N 15 117.898 0.055 . . . . . . A 366 ASP N . 34475 1 306 . 1 . 1 28 28 ASN H H 1 7.836 0.006 . . . . . . A 367 ASN H . 34475 1 307 . 1 . 1 28 28 ASN HA H 1 4.803 0.000 . . . . . . A 367 ASN HA . 34475 1 308 . 1 . 1 28 28 ASN HB2 H 1 2.762 0.000 . . . . . . A 367 ASN HB2 . 34475 1 309 . 1 . 1 28 28 ASN HB3 H 1 2.503 0.002 . . . . . . A 367 ASN HB3 . 34475 1 310 . 1 . 1 28 28 ASN HD21 H 1 7.418 0.000 . . . . . . A 367 ASN HD21 . 34475 1 311 . 1 . 1 28 28 ASN HD22 H 1 6.879 0.000 . . . . . . A 367 ASN HD22 . 34475 1 312 . 1 . 1 28 28 ASN C C 13 173.000 0.004 . . . . . . A 367 ASN C . 34475 1 313 . 1 . 1 28 28 ASN CA C 13 52.971 0.036 . . . . . . A 367 ASN CA . 34475 1 314 . 1 . 1 28 28 ASN CB C 13 39.528 0.071 . . . . . . A 367 ASN CB . 34475 1 315 . 1 . 1 28 28 ASN N N 15 118.824 0.018 . . . . . . A 367 ASN N . 34475 1 316 . 1 . 1 28 28 ASN ND2 N 15 112.187 0.025 . . . . . . A 367 ASN ND2 . 34475 1 317 . 1 . 1 29 29 LEU H H 1 7.897 0.001 . . . . . . A 368 LEU H . 34475 1 318 . 1 . 1 29 29 LEU HA H 1 4.288 0.000 . . . . . . A 368 LEU HA . 34475 1 319 . 1 . 1 29 29 LEU HB2 H 1 1.653 0.003 . . . . . . A 368 LEU HB2 . 34475 1 320 . 1 . 1 29 29 LEU HB3 H 1 1.653 0.003 . . . . . . A 368 LEU HB3 . 34475 1 321 . 1 . 1 29 29 LEU HG H 1 1.667 0.000 . . . . . . A 368 LEU HG . 34475 1 322 . 1 . 1 29 29 LEU HD11 H 1 1.019 0.000 . . . . . . A 368 LEU HD11 . 34475 1 323 . 1 . 1 29 29 LEU HD12 H 1 1.019 0.000 . . . . . . A 368 LEU HD12 . 34475 1 324 . 1 . 1 29 29 LEU HD13 H 1 1.019 0.000 . . . . . . A 368 LEU HD13 . 34475 1 325 . 1 . 1 29 29 LEU HD21 H 1 0.948 0.000 . . . . . . A 368 LEU HD21 . 34475 1 326 . 1 . 1 29 29 LEU HD22 H 1 0.948 0.000 . . . . . . A 368 LEU HD22 . 34475 1 327 . 1 . 1 29 29 LEU HD23 H 1 0.948 0.000 . . . . . . A 368 LEU HD23 . 34475 1 328 . 1 . 1 29 29 LEU C C 13 177.368 0.006 . . . . . . A 368 LEU C . 34475 1 329 . 1 . 1 29 29 LEU CA C 13 56.388 0.034 . . . . . . A 368 LEU CA . 34475 1 330 . 1 . 1 29 29 LEU CB C 13 42.670 0.065 . . . . . . A 368 LEU CB . 34475 1 331 . 1 . 1 29 29 LEU CG C 13 27.212 0.000 . . . . . . A 368 LEU CG . 34475 1 332 . 1 . 1 29 29 LEU CD1 C 13 24.956 0.000 . . . . . . A 368 LEU CD1 . 34475 1 333 . 1 . 1 29 29 LEU CD2 C 13 25.670 0.000 . . . . . . A 368 LEU CD2 . 34475 1 334 . 1 . 1 29 29 LEU N N 15 123.432 0.012 . . . . . . A 368 LEU N . 34475 1 335 . 1 . 1 30 30 ASP H H 1 9.256 0.002 . . . . . . A 369 ASP H . 34475 1 336 . 1 . 1 30 30 ASP HA H 1 4.881 0.000 . . . . . . A 369 ASP HA . 34475 1 337 . 1 . 1 30 30 ASP HB2 H 1 3.001 0.000 . . . . . . A 369 ASP HB2 . 34475 1 338 . 1 . 1 30 30 ASP HB3 H 1 2.486 0.000 . . . . . . A 369 ASP HB3 . 34475 1 339 . 1 . 1 30 30 ASP C C 13 175.574 0.000 . . . . . . A 369 ASP C . 34475 1 340 . 1 . 1 30 30 ASP CA C 13 52.403 0.013 . . . . . . A 369 ASP CA . 34475 1 341 . 1 . 1 30 30 ASP CB C 13 40.879 0.092 . . . . . . A 369 ASP CB . 34475 1 342 . 1 . 1 30 30 ASP N N 15 127.437 0.005 . . . . . . A 369 ASP N . 34475 1 343 . 1 . 1 31 31 VAL H H 1 8.430 0.003 . . . . . . A 370 VAL H . 34475 1 344 . 1 . 1 31 31 VAL HA H 1 3.516 0.000 . . . . . . A 370 VAL HA . 34475 1 345 . 1 . 1 31 31 VAL HB H 1 2.126 0.000 . . . . . . A 370 VAL HB . 34475 1 346 . 1 . 1 31 31 VAL HG11 H 1 1.074 0.000 . . . . . . A 370 VAL HG11 . 34475 1 347 . 1 . 1 31 31 VAL HG12 H 1 1.074 0.000 . . . . . . A 370 VAL HG12 . 34475 1 348 . 1 . 1 31 31 VAL HG13 H 1 1.074 0.000 . . . . . . A 370 VAL HG13 . 34475 1 349 . 1 . 1 31 31 VAL HG21 H 1 1.118 0.000 . . . . . . A 370 VAL HG21 . 34475 1 350 . 1 . 1 31 31 VAL HG22 H 1 1.118 0.000 . . . . . . A 370 VAL HG22 . 34475 1 351 . 1 . 1 31 31 VAL HG23 H 1 1.118 0.000 . . . . . . A 370 VAL HG23 . 34475 1 352 . 1 . 1 31 31 VAL C C 13 177.693 0.000 . . . . . . A 370 VAL C . 34475 1 353 . 1 . 1 31 31 VAL CA C 13 66.471 0.087 . . . . . . A 370 VAL CA . 34475 1 354 . 1 . 1 31 31 VAL CB C 13 31.956 0.090 . . . . . . A 370 VAL CB . 34475 1 355 . 1 . 1 31 31 VAL CG1 C 13 21.595 0.020 . . . . . . A 370 VAL CG1 . 34475 1 356 . 1 . 1 31 31 VAL CG2 C 13 21.588 0.000 . . . . . . A 370 VAL CG2 . 34475 1 357 . 1 . 1 31 31 VAL N N 15 122.776 0.015 . . . . . . A 370 VAL N . 34475 1 358 . 1 . 1 32 32 ASN H H 1 8.493 0.003 . . . . . . A 371 ASN H . 34475 1 359 . 1 . 1 32 32 ASN HA H 1 4.435 0.000 . . . . . . A 371 ASN HA . 34475 1 360 . 1 . 1 32 32 ASN HB2 H 1 2.901 0.000 . . . . . . A 371 ASN HB2 . 34475 1 361 . 1 . 1 32 32 ASN HB3 H 1 2.826 0.000 . . . . . . A 371 ASN HB3 . 34475 1 362 . 1 . 1 32 32 ASN HD21 H 1 7.787 0.000 . . . . . . A 371 ASN HD21 . 34475 1 363 . 1 . 1 32 32 ASN HD22 H 1 6.957 0.000 . . . . . . A 371 ASN HD22 . 34475 1 364 . 1 . 1 32 32 ASN C C 13 177.587 0.006 . . . . . . A 371 ASN C . 34475 1 365 . 1 . 1 32 32 ASN CA C 13 56.719 0.027 . . . . . . A 371 ASN CA . 34475 1 366 . 1 . 1 32 32 ASN CB C 13 37.751 0.106 . . . . . . A 371 ASN CB . 34475 1 367 . 1 . 1 32 32 ASN N N 15 117.634 0.010 . . . . . . A 371 ASN N . 34475 1 368 . 1 . 1 32 32 ASN ND2 N 15 113.258 0.008 . . . . . . A 371 ASN ND2 . 34475 1 369 . 1 . 1 33 33 ARG H H 1 7.705 0.003 . . . . . . A 372 ARG H . 34475 1 370 . 1 . 1 33 33 ARG HA H 1 4.080 0.006 . . . . . . A 372 ARG HA . 34475 1 371 . 1 . 1 33 33 ARG HB2 H 1 1.821 0.000 . . . . . . A 372 ARG HB2 . 34475 1 372 . 1 . 1 33 33 ARG HB3 H 1 1.797 0.000 . . . . . . A 372 ARG HB3 . 34475 1 373 . 1 . 1 33 33 ARG HG2 H 1 1.749 0.000 . . . . . . A 372 ARG HG2 . 34475 1 374 . 1 . 1 33 33 ARG HG3 H 1 1.543 0.000 . . . . . . A 372 ARG HG3 . 34475 1 375 . 1 . 1 33 33 ARG HD2 H 1 3.204 0.000 . . . . . . A 372 ARG HD2 . 34475 1 376 . 1 . 1 33 33 ARG HD3 H 1 3.073 0.000 . . . . . . A 372 ARG HD3 . 34475 1 377 . 1 . 1 33 33 ARG C C 13 178.522 0.000 . . . . . . A 372 ARG C . 34475 1 378 . 1 . 1 33 33 ARG CA C 13 58.710 0.001 . . . . . . A 372 ARG CA . 34475 1 379 . 1 . 1 33 33 ARG CB C 13 30.683 0.042 . . . . . . A 372 ARG CB . 34475 1 380 . 1 . 1 33 33 ARG CG C 13 27.151 0.045 . . . . . . A 372 ARG CG . 34475 1 381 . 1 . 1 33 33 ARG CD C 13 44.195 0.005 . . . . . . A 372 ARG CD . 34475 1 382 . 1 . 1 33 33 ARG N N 15 121.672 0.008 . . . . . . A 372 ARG N . 34475 1 383 . 1 . 1 34 34 CYS H H 1 7.834 0.001 . . . . . . A 373 CYS H . 34475 1 384 . 1 . 1 34 34 CYS HA H 1 3.885 0.000 . . . . . . A 373 CYS HA . 34475 1 385 . 1 . 1 34 34 CYS HB2 H 1 3.157 0.000 . . . . . . A 373 CYS HB2 . 34475 1 386 . 1 . 1 34 34 CYS HB3 H 1 3.044 0.000 . . . . . . A 373 CYS HB3 . 34475 1 387 . 1 . 1 34 34 CYS C C 13 176.837 0.100 . . . . . . A 373 CYS C . 34475 1 388 . 1 . 1 34 34 CYS CA C 13 63.465 0.027 . . . . . . A 373 CYS CA . 34475 1 389 . 1 . 1 34 34 CYS CB C 13 26.776 0.040 . . . . . . A 373 CYS CB . 34475 1 390 . 1 . 1 34 34 CYS N N 15 120.210 0.005 . . . . . . A 373 CYS N . 34475 1 391 . 1 . 1 35 35 ILE H H 1 8.470 0.002 . . . . . . A 374 ILE H . 34475 1 392 . 1 . 1 35 35 ILE HA H 1 3.406 0.002 . . . . . . A 374 ILE HA . 34475 1 393 . 1 . 1 35 35 ILE HB H 1 1.931 0.000 . . . . . . A 374 ILE HB . 34475 1 394 . 1 . 1 35 35 ILE HG12 H 1 1.906 0.000 . . . . . . A 374 ILE HG12 . 34475 1 395 . 1 . 1 35 35 ILE HG13 H 1 0.717 0.000 . . . . . . A 374 ILE HG13 . 34475 1 396 . 1 . 1 35 35 ILE HG21 H 1 0.892 0.000 . . . . . . A 374 ILE HG21 . 34475 1 397 . 1 . 1 35 35 ILE HG22 H 1 0.892 0.000 . . . . . . A 374 ILE HG22 . 34475 1 398 . 1 . 1 35 35 ILE HG23 H 1 0.892 0.000 . . . . . . A 374 ILE HG23 . 34475 1 399 . 1 . 1 35 35 ILE HD11 H 1 0.895 0.003 . . . . . . A 374 ILE HD11 . 34475 1 400 . 1 . 1 35 35 ILE HD12 H 1 0.895 0.003 . . . . . . A 374 ILE HD12 . 34475 1 401 . 1 . 1 35 35 ILE HD13 H 1 0.895 0.003 . . . . . . A 374 ILE HD13 . 34475 1 402 . 1 . 1 35 35 ILE C C 13 176.979 0.000 . . . . . . A 374 ILE C . 34475 1 403 . 1 . 1 35 35 ILE CA C 13 66.609 0.056 . . . . . . A 374 ILE CA . 34475 1 404 . 1 . 1 35 35 ILE CB C 13 37.939 0.066 . . . . . . A 374 ILE CB . 34475 1 405 . 1 . 1 35 35 ILE CG1 C 13 31.221 0.011 . . . . . . A 374 ILE CG1 . 34475 1 406 . 1 . 1 35 35 ILE CG2 C 13 17.677 0.057 . . . . . . A 374 ILE CG2 . 34475 1 407 . 1 . 1 35 35 ILE CD1 C 13 14.258 0.021 . . . . . . A 374 ILE CD1 . 34475 1 408 . 1 . 1 35 35 ILE N N 15 118.930 0.020 . . . . . . A 374 ILE N . 34475 1 409 . 1 . 1 36 36 GLU H H 1 8.026 0.001 . . . . . . A 375 GLU H . 34475 1 410 . 1 . 1 36 36 GLU HA H 1 4.082 0.000 . . . . . . A 375 GLU HA . 34475 1 411 . 1 . 1 36 36 GLU HB2 H 1 2.111 0.000 . . . . . . A 375 GLU HB2 . 34475 1 412 . 1 . 1 36 36 GLU HB3 H 1 2.059 0.000 . . . . . . A 375 GLU HB3 . 34475 1 413 . 1 . 1 36 36 GLU HG2 H 1 2.498 0.000 . . . . . . A 375 GLU HG2 . 34475 1 414 . 1 . 1 36 36 GLU HG3 H 1 2.298 0.000 . . . . . . A 375 GLU HG3 . 34475 1 415 . 1 . 1 36 36 GLU C C 13 179.839 0.000 . . . . . . A 375 GLU C . 34475 1 416 . 1 . 1 36 36 GLU CA C 13 59.924 0.015 . . . . . . A 375 GLU CA . 34475 1 417 . 1 . 1 36 36 GLU CB C 13 29.432 0.000 . . . . . . A 375 GLU CB . 34475 1 418 . 1 . 1 36 36 GLU CG C 13 36.674 0.016 . . . . . . A 375 GLU CG . 34475 1 419 . 1 . 1 36 36 GLU N N 15 118.214 0.009 . . . . . . A 375 GLU N . 34475 1 420 . 1 . 1 37 37 ALA H H 1 7.609 0.002 . . . . . . A 376 ALA H . 34475 1 421 . 1 . 1 37 37 ALA HA H 1 4.395 0.000 . . . . . . A 376 ALA HA . 34475 1 422 . 1 . 1 37 37 ALA HB1 H 1 1.596 0.000 . . . . . . A 376 ALA HB1 . 34475 1 423 . 1 . 1 37 37 ALA HB2 H 1 1.596 0.000 . . . . . . A 376 ALA HB2 . 34475 1 424 . 1 . 1 37 37 ALA HB3 H 1 1.596 0.000 . . . . . . A 376 ALA HB3 . 34475 1 425 . 1 . 1 37 37 ALA C C 13 179.493 0.000 . . . . . . A 376 ALA C . 34475 1 426 . 1 . 1 37 37 ALA CA C 13 55.375 0.037 . . . . . . A 376 ALA CA . 34475 1 427 . 1 . 1 37 37 ALA CB C 13 18.596 0.066 . . . . . . A 376 ALA CB . 34475 1 428 . 1 . 1 37 37 ALA N N 15 122.961 0.012 . . . . . . A 376 ALA N . 34475 1 429 . 1 . 1 38 38 LEU H H 1 8.505 0.004 . . . . . . A 377 LEU H . 34475 1 430 . 1 . 1 38 38 LEU HA H 1 3.915 0.000 . . . . . . A 377 LEU HA . 34475 1 431 . 1 . 1 38 38 LEU HB2 H 1 2.070 0.006 . . . . . . A 377 LEU HB2 . 34475 1 432 . 1 . 1 38 38 LEU HB3 H 1 1.233 0.001 . . . . . . A 377 LEU HB3 . 34475 1 433 . 1 . 1 38 38 LEU HG H 1 2.088 0.003 . . . . . . A 377 LEU HG . 34475 1 434 . 1 . 1 38 38 LEU HD11 H 1 0.876 0.005 . . . . . . A 377 LEU HD11 . 34475 1 435 . 1 . 1 38 38 LEU HD12 H 1 0.876 0.005 . . . . . . A 377 LEU HD12 . 34475 1 436 . 1 . 1 38 38 LEU HD13 H 1 0.876 0.005 . . . . . . A 377 LEU HD13 . 34475 1 437 . 1 . 1 38 38 LEU HD21 H 1 0.691 0.000 . . . . . . A 377 LEU HD21 . 34475 1 438 . 1 . 1 38 38 LEU HD22 H 1 0.691 0.000 . . . . . . A 377 LEU HD22 . 34475 1 439 . 1 . 1 38 38 LEU HD23 H 1 0.691 0.000 . . . . . . A 377 LEU HD23 . 34475 1 440 . 1 . 1 38 38 LEU C C 13 179.843 0.000 . . . . . . A 377 LEU C . 34475 1 441 . 1 . 1 38 38 LEU CA C 13 57.929 0.047 . . . . . . A 377 LEU CA . 34475 1 442 . 1 . 1 38 38 LEU CB C 13 41.257 0.056 . . . . . . A 377 LEU CB . 34475 1 443 . 1 . 1 38 38 LEU CG C 13 26.440 0.055 . . . . . . A 377 LEU CG . 34475 1 444 . 1 . 1 38 38 LEU CD1 C 13 28.035 0.007 . . . . . . A 377 LEU CD1 . 34475 1 445 . 1 . 1 38 38 LEU CD2 C 13 23.286 0.014 . . . . . . A 377 LEU CD2 . 34475 1 446 . 1 . 1 38 38 LEU N N 15 118.419 0.008 . . . . . . A 377 LEU N . 34475 1 447 . 1 . 1 39 39 ASP H H 1 9.000 0.001 . . . . . . A 378 ASP H . 34475 1 448 . 1 . 1 39 39 ASP HA H 1 4.457 0.000 . . . . . . A 378 ASP HA . 34475 1 449 . 1 . 1 39 39 ASP HB2 H 1 2.757 0.000 . . . . . . A 378 ASP HB2 . 34475 1 450 . 1 . 1 39 39 ASP HB3 H 1 2.557 0.000 . . . . . . A 378 ASP HB3 . 34475 1 451 . 1 . 1 39 39 ASP C C 13 179.568 0.001 . . . . . . A 378 ASP C . 34475 1 452 . 1 . 1 39 39 ASP CA C 13 57.365 0.035 . . . . . . A 378 ASP CA . 34475 1 453 . 1 . 1 39 39 ASP CB C 13 39.266 0.095 . . . . . . A 378 ASP CB . 34475 1 454 . 1 . 1 39 39 ASP N N 15 121.324 0.006 . . . . . . A 378 ASP N . 34475 1 455 . 1 . 1 40 40 GLU H H 1 8.166 0.002 . . . . . . A 379 GLU H . 34475 1 456 . 1 . 1 40 40 GLU HA H 1 4.008 0.004 . . . . . . A 379 GLU HA . 34475 1 457 . 1 . 1 40 40 GLU HB2 H 1 2.162 0.000 . . . . . . A 379 GLU HB2 . 34475 1 458 . 1 . 1 40 40 GLU HB3 H 1 2.162 0.000 . . . . . . A 379 GLU HB3 . 34475 1 459 . 1 . 1 40 40 GLU HG2 H 1 2.374 0.000 . . . . . . A 379 GLU HG2 . 34475 1 460 . 1 . 1 40 40 GLU HG3 H 1 2.072 0.000 . . . . . . A 379 GLU HG3 . 34475 1 461 . 1 . 1 40 40 GLU C C 13 180.491 0.002 . . . . . . A 379 GLU C . 34475 1 462 . 1 . 1 40 40 GLU CA C 13 59.826 0.023 . . . . . . A 379 GLU CA . 34475 1 463 . 1 . 1 40 40 GLU CB C 13 28.705 0.023 . . . . . . A 379 GLU CB . 34475 1 464 . 1 . 1 40 40 GLU CG C 13 36.305 0.105 . . . . . . A 379 GLU CG . 34475 1 465 . 1 . 1 40 40 GLU N N 15 123.515 0.027 . . . . . . A 379 GLU N . 34475 1 466 . 1 . 1 41 41 LEU H H 1 8.568 0.003 . . . . . . A 380 LEU H . 34475 1 467 . 1 . 1 41 41 LEU HA H 1 4.015 0.002 . . . . . . A 380 LEU HA . 34475 1 468 . 1 . 1 41 41 LEU HB2 H 1 2.270 0.006 . . . . . . A 380 LEU HB2 . 34475 1 469 . 1 . 1 41 41 LEU HB3 H 1 1.740 0.001 . . . . . . A 380 LEU HB3 . 34475 1 470 . 1 . 1 41 41 LEU HG H 1 1.783 0.000 . . . . . . A 380 LEU HG . 34475 1 471 . 1 . 1 41 41 LEU HD11 H 1 1.021 0.000 . . . . . . A 380 LEU HD11 . 34475 1 472 . 1 . 1 41 41 LEU HD12 H 1 1.021 0.000 . . . . . . A 380 LEU HD12 . 34475 1 473 . 1 . 1 41 41 LEU HD13 H 1 1.021 0.000 . . . . . . A 380 LEU HD13 . 34475 1 474 . 1 . 1 41 41 LEU HD21 H 1 1.012 0.000 . . . . . . A 380 LEU HD21 . 34475 1 475 . 1 . 1 41 41 LEU HD22 H 1 1.012 0.000 . . . . . . A 380 LEU HD22 . 34475 1 476 . 1 . 1 41 41 LEU HD23 H 1 1.012 0.000 . . . . . . A 380 LEU HD23 . 34475 1 477 . 1 . 1 41 41 LEU C C 13 178.742 0.000 . . . . . . A 380 LEU C . 34475 1 478 . 1 . 1 41 41 LEU CA C 13 57.911 0.147 . . . . . . A 380 LEU CA . 34475 1 479 . 1 . 1 41 41 LEU CB C 13 41.184 0.022 . . . . . . A 380 LEU CB . 34475 1 480 . 1 . 1 41 41 LEU CG C 13 27.158 0.000 . . . . . . A 380 LEU CG . 34475 1 481 . 1 . 1 41 41 LEU CD1 C 13 26.416 0.025 . . . . . . A 380 LEU CD1 . 34475 1 482 . 1 . 1 41 41 LEU CD2 C 13 23.380 0.000 . . . . . . A 380 LEU CD2 . 34475 1 483 . 1 . 1 41 41 LEU N N 15 121.450 0.028 . . . . . . A 380 LEU N . 34475 1 484 . 1 . 1 42 42 ALA H H 1 8.383 0.003 . . . . . . A 381 ALA H . 34475 1 485 . 1 . 1 42 42 ALA HA H 1 4.027 0.000 . . . . . . A 381 ALA HA . 34475 1 486 . 1 . 1 42 42 ALA HB1 H 1 1.594 0.000 . . . . . . A 381 ALA HB1 . 34475 1 487 . 1 . 1 42 42 ALA HB2 H 1 1.594 0.000 . . . . . . A 381 ALA HB2 . 34475 1 488 . 1 . 1 42 42 ALA HB3 H 1 1.594 0.000 . . . . . . A 381 ALA HB3 . 34475 1 489 . 1 . 1 42 42 ALA C C 13 177.849 0.000 . . . . . . A 381 ALA C . 34475 1 490 . 1 . 1 42 42 ALA CA C 13 54.402 0.012 . . . . . . A 381 ALA CA . 34475 1 491 . 1 . 1 42 42 ALA CB C 13 18.787 0.005 . . . . . . A 381 ALA CB . 34475 1 492 . 1 . 1 42 42 ALA N N 15 118.918 0.036 . . . . . . A 381 ALA N . 34475 1 493 . 1 . 1 43 43 SER H H 1 7.595 0.002 . . . . . . A 382 SER H . 34475 1 494 . 1 . 1 43 43 SER HA H 1 4.446 0.000 . . . . . . A 382 SER HA . 34475 1 495 . 1 . 1 43 43 SER HB2 H 1 4.077 0.000 . . . . . . A 382 SER HB2 . 34475 1 496 . 1 . 1 43 43 SER HB3 H 1 3.981 0.000 . . . . . . A 382 SER HB3 . 34475 1 497 . 1 . 1 43 43 SER C C 13 174.274 0.000 . . . . . . A 382 SER C . 34475 1 498 . 1 . 1 43 43 SER CA C 13 59.411 0.047 . . . . . . A 382 SER CA . 34475 1 499 . 1 . 1 43 43 SER CB C 13 64.508 0.011 . . . . . . A 382 SER CB . 34475 1 500 . 1 . 1 43 43 SER N N 15 112.109 0.021 . . . . . . A 382 SER N . 34475 1 501 . 1 . 1 44 44 LEU H H 1 7.298 0.002 . . . . . . A 383 LEU H . 34475 1 502 . 1 . 1 44 44 LEU HA H 1 4.374 0.000 . . . . . . A 383 LEU HA . 34475 1 503 . 1 . 1 44 44 LEU HB2 H 1 1.868 0.000 . . . . . . A 383 LEU HB2 . 34475 1 504 . 1 . 1 44 44 LEU HB3 H 1 1.315 0.000 . . . . . . A 383 LEU HB3 . 34475 1 505 . 1 . 1 44 44 LEU HG H 1 2.070 0.000 . . . . . . A 383 LEU HG . 34475 1 506 . 1 . 1 44 44 LEU HD11 H 1 0.796 0.000 . . . . . . A 383 LEU HD11 . 34475 1 507 . 1 . 1 44 44 LEU HD12 H 1 0.796 0.000 . . . . . . A 383 LEU HD12 . 34475 1 508 . 1 . 1 44 44 LEU HD13 H 1 0.796 0.000 . . . . . . A 383 LEU HD13 . 34475 1 509 . 1 . 1 44 44 LEU HD21 H 1 0.785 0.000 . . . . . . A 383 LEU HD21 . 34475 1 510 . 1 . 1 44 44 LEU HD22 H 1 0.785 0.000 . . . . . . A 383 LEU HD22 . 34475 1 511 . 1 . 1 44 44 LEU HD23 H 1 0.785 0.000 . . . . . . A 383 LEU HD23 . 34475 1 512 . 1 . 1 44 44 LEU C C 13 177.115 0.000 . . . . . . A 383 LEU C . 34475 1 513 . 1 . 1 44 44 LEU CA C 13 54.712 0.053 . . . . . . A 383 LEU CA . 34475 1 514 . 1 . 1 44 44 LEU CB C 13 43.164 0.111 . . . . . . A 383 LEU CB . 34475 1 515 . 1 . 1 44 44 LEU CG C 13 25.816 0.000 . . . . . . A 383 LEU CG . 34475 1 516 . 1 . 1 44 44 LEU CD1 C 13 25.944 0.000 . . . . . . A 383 LEU CD1 . 34475 1 517 . 1 . 1 44 44 LEU CD2 C 13 22.433 0.018 . . . . . . A 383 LEU CD2 . 34475 1 518 . 1 . 1 44 44 LEU N N 15 122.206 0.016 . . . . . . A 383 LEU N . 34475 1 519 . 1 . 1 45 45 GLN H H 1 8.689 0.003 . . . . . . A 384 GLN H . 34475 1 520 . 1 . 1 45 45 GLN HA H 1 4.470 0.000 . . . . . . A 384 GLN HA . 34475 1 521 . 1 . 1 45 45 GLN HB2 H 1 2.045 0.000 . . . . . . A 384 GLN HB2 . 34475 1 522 . 1 . 1 45 45 GLN HB3 H 1 2.010 0.000 . . . . . . A 384 GLN HB3 . 34475 1 523 . 1 . 1 45 45 GLN HG2 H 1 2.360 0.000 . . . . . . A 384 GLN HG2 . 34475 1 524 . 1 . 1 45 45 GLN HG3 H 1 2.324 0.000 . . . . . . A 384 GLN HG3 . 34475 1 525 . 1 . 1 45 45 GLN C C 13 174.465 0.000 . . . . . . A 384 GLN C . 34475 1 526 . 1 . 1 45 45 GLN CA C 13 54.919 0.130 . . . . . . A 384 GLN CA . 34475 1 527 . 1 . 1 45 45 GLN CB C 13 27.456 0.069 . . . . . . A 384 GLN CB . 34475 1 528 . 1 . 1 45 45 GLN CG C 13 33.713 0.053 . . . . . . A 384 GLN CG . 34475 1 529 . 1 . 1 45 45 GLN N N 15 123.895 0.013 . . . . . . A 384 GLN N . 34475 1 530 . 1 . 1 46 46 VAL H H 1 7.835 0.002 . . . . . . A 385 VAL H . 34475 1 531 . 1 . 1 46 46 VAL HA H 1 4.436 0.004 . . . . . . A 385 VAL HA . 34475 1 532 . 1 . 1 46 46 VAL HB H 1 1.979 0.000 . . . . . . A 385 VAL HB . 34475 1 533 . 1 . 1 46 46 VAL HG11 H 1 0.930 0.000 . . . . . . A 385 VAL HG11 . 34475 1 534 . 1 . 1 46 46 VAL HG12 H 1 0.930 0.000 . . . . . . A 385 VAL HG12 . 34475 1 535 . 1 . 1 46 46 VAL HG13 H 1 0.930 0.000 . . . . . . A 385 VAL HG13 . 34475 1 536 . 1 . 1 46 46 VAL HG21 H 1 0.969 0.000 . . . . . . A 385 VAL HG21 . 34475 1 537 . 1 . 1 46 46 VAL HG22 H 1 0.969 0.000 . . . . . . A 385 VAL HG22 . 34475 1 538 . 1 . 1 46 46 VAL HG23 H 1 0.969 0.000 . . . . . . A 385 VAL HG23 . 34475 1 539 . 1 . 1 46 46 VAL C C 13 176.168 0.000 . . . . . . A 385 VAL C . 34475 1 540 . 1 . 1 46 46 VAL CA C 13 61.525 0.007 . . . . . . A 385 VAL CA . 34475 1 541 . 1 . 1 46 46 VAL CB C 13 33.906 0.008 . . . . . . A 385 VAL CB . 34475 1 542 . 1 . 1 46 46 VAL CG1 C 13 21.961 0.015 . . . . . . A 385 VAL CG1 . 34475 1 543 . 1 . 1 46 46 VAL CG2 C 13 21.921 0.000 . . . . . . A 385 VAL CG2 . 34475 1 544 . 1 . 1 46 46 VAL N N 15 123.589 0.011 . . . . . . A 385 VAL N . 34475 1 545 . 1 . 1 47 47 THR H H 1 8.563 0.001 . . . . . . A 386 THR H . 34475 1 546 . 1 . 1 47 47 THR HA H 1 4.551 0.000 . . . . . . A 386 THR HA . 34475 1 547 . 1 . 1 47 47 THR HB H 1 4.735 0.000 . . . . . . A 386 THR HB . 34475 1 548 . 1 . 1 47 47 THR HG1 H 1 5.570 0.000 . . . . . . A 386 THR HG1 . 34475 1 549 . 1 . 1 47 47 THR HG21 H 1 1.307 0.000 . . . . . . A 386 THR HG21 . 34475 1 550 . 1 . 1 47 47 THR HG22 H 1 1.307 0.000 . . . . . . A 386 THR HG22 . 34475 1 551 . 1 . 1 47 47 THR HG23 H 1 1.307 0.000 . . . . . . A 386 THR HG23 . 34475 1 552 . 1 . 1 47 47 THR C C 13 175.558 0.002 . . . . . . A 386 THR C . 34475 1 553 . 1 . 1 47 47 THR CA C 13 60.391 0.049 . . . . . . A 386 THR CA . 34475 1 554 . 1 . 1 47 47 THR CB C 13 71.675 0.009 . . . . . . A 386 THR CB . 34475 1 555 . 1 . 1 47 47 THR CG2 C 13 21.698 0.003 . . . . . . A 386 THR CG2 . 34475 1 556 . 1 . 1 47 47 THR N N 15 116.842 0.011 . . . . . . A 386 THR N . 34475 1 557 . 1 . 1 48 48 MET H H 1 9.013 0.002 . . . . . . A 387 MET H . 34475 1 558 . 1 . 1 48 48 MET HA H 1 4.018 0.006 . . . . . . A 387 MET HA . 34475 1 559 . 1 . 1 48 48 MET HB2 H 1 2.112 0.000 . . . . . . A 387 MET HB2 . 34475 1 560 . 1 . 1 48 48 MET HB3 H 1 2.022 0.000 . . . . . . A 387 MET HB3 . 34475 1 561 . 1 . 1 48 48 MET HG2 H 1 2.447 0.000 . . . . . . A 387 MET HG2 . 34475 1 562 . 1 . 1 48 48 MET HG3 H 1 2.378 0.000 . . . . . . A 387 MET HG3 . 34475 1 563 . 1 . 1 48 48 MET HE1 H 1 2.031 0.000 . . . . . . A 387 MET HE1 . 34475 1 564 . 1 . 1 48 48 MET HE2 H 1 2.031 0.000 . . . . . . A 387 MET HE2 . 34475 1 565 . 1 . 1 48 48 MET HE3 H 1 2.031 0.000 . . . . . . A 387 MET HE3 . 34475 1 566 . 1 . 1 48 48 MET C C 13 177.744 0.001 . . . . . . A 387 MET C . 34475 1 567 . 1 . 1 48 48 MET CA C 13 59.584 0.030 . . . . . . A 387 MET CA . 34475 1 568 . 1 . 1 48 48 MET CB C 13 32.435 0.025 . . . . . . A 387 MET CB . 34475 1 569 . 1 . 1 48 48 MET CG C 13 31.977 0.010 . . . . . . A 387 MET CG . 34475 1 570 . 1 . 1 48 48 MET CE C 13 17.537 0.000 . . . . . . A 387 MET CE . 34475 1 571 . 1 . 1 48 48 MET N N 15 121.071 0.018 . . . . . . A 387 MET N . 34475 1 572 . 1 . 1 49 49 GLN H H 1 8.399 0.002 . . . . . . A 388 GLN H . 34475 1 573 . 1 . 1 49 49 GLN HA H 1 4.039 0.002 . . . . . . A 388 GLN HA . 34475 1 574 . 1 . 1 49 49 GLN HB2 H 1 2.107 0.000 . . . . . . A 388 GLN HB2 . 34475 1 575 . 1 . 1 49 49 GLN HB3 H 1 2.008 0.000 . . . . . . A 388 GLN HB3 . 34475 1 576 . 1 . 1 49 49 GLN HG2 H 1 2.535 0.001 . . . . . . A 388 GLN HG2 . 34475 1 577 . 1 . 1 49 49 GLN HG3 H 1 2.473 0.003 . . . . . . A 388 GLN HG3 . 34475 1 578 . 1 . 1 49 49 GLN HE21 H 1 7.594 0.000 . . . . . . A 388 GLN HE21 . 34475 1 579 . 1 . 1 49 49 GLN HE22 H 1 6.746 0.000 . . . . . . A 388 GLN HE22 . 34475 1 580 . 1 . 1 49 49 GLN C C 13 179.270 0.001 . . . . . . A 388 GLN C . 34475 1 581 . 1 . 1 49 49 GLN CA C 13 59.574 0.046 . . . . . . A 388 GLN CA . 34475 1 582 . 1 . 1 49 49 GLN CB C 13 27.996 0.050 . . . . . . A 388 GLN CB . 34475 1 583 . 1 . 1 49 49 GLN CG C 13 34.584 0.034 . . . . . . A 388 GLN CG . 34475 1 584 . 1 . 1 49 49 GLN N N 15 116.730 0.004 . . . . . . A 388 GLN N . 34475 1 585 . 1 . 1 49 49 GLN NE2 N 15 109.713 0.000 . . . . . . A 388 GLN NE2 . 34475 1 586 . 1 . 1 50 50 GLN H H 1 7.628 0.003 . . . . . . A 389 GLN H . 34475 1 587 . 1 . 1 50 50 GLN HA H 1 4.151 0.000 . . . . . . A 389 GLN HA . 34475 1 588 . 1 . 1 50 50 GLN HB2 H 1 2.453 0.000 . . . . . . A 389 GLN HB2 . 34475 1 589 . 1 . 1 50 50 GLN HB3 H 1 1.744 0.000 . . . . . . A 389 GLN HB3 . 34475 1 590 . 1 . 1 50 50 GLN HG2 H 1 2.543 0.000 . . . . . . A 389 GLN HG2 . 34475 1 591 . 1 . 1 50 50 GLN HG3 H 1 2.447 0.000 . . . . . . A 389 GLN HG3 . 34475 1 592 . 1 . 1 50 50 GLN C C 13 178.622 0.005 . . . . . . A 389 GLN C . 34475 1 593 . 1 . 1 50 50 GLN CA C 13 58.374 0.048 . . . . . . A 389 GLN CA . 34475 1 594 . 1 . 1 50 50 GLN CB C 13 28.622 0.042 . . . . . . A 389 GLN CB . 34475 1 595 . 1 . 1 50 50 GLN CG C 13 34.334 0.029 . . . . . . A 389 GLN CG . 34475 1 596 . 1 . 1 50 50 GLN N N 15 118.435 0.011 . . . . . . A 389 GLN N . 34475 1 597 . 1 . 1 51 51 ALA H H 1 8.528 0.003 . . . . . . A 390 ALA H . 34475 1 598 . 1 . 1 51 51 ALA HA H 1 3.779 0.000 . . . . . . A 390 ALA HA . 34475 1 599 . 1 . 1 51 51 ALA HB1 H 1 1.388 0.002 . . . . . . A 390 ALA HB1 . 34475 1 600 . 1 . 1 51 51 ALA HB2 H 1 1.388 0.002 . . . . . . A 390 ALA HB2 . 34475 1 601 . 1 . 1 51 51 ALA HB3 H 1 1.388 0.002 . . . . . . A 390 ALA HB3 . 34475 1 602 . 1 . 1 51 51 ALA C C 13 178.878 0.000 . . . . . . A 390 ALA C . 34475 1 603 . 1 . 1 51 51 ALA CA C 13 55.354 0.011 . . . . . . A 390 ALA CA . 34475 1 604 . 1 . 1 51 51 ALA CB C 13 18.473 0.025 . . . . . . A 390 ALA CB . 34475 1 605 . 1 . 1 51 51 ALA N N 15 121.331 0.029 . . . . . . A 390 ALA N . 34475 1 606 . 1 . 1 52 52 GLN H H 1 7.947 0.001 . . . . . . A 391 GLN H . 34475 1 607 . 1 . 1 52 52 GLN HA H 1 3.946 0.004 . . . . . . A 391 GLN HA . 34475 1 608 . 1 . 1 52 52 GLN HB2 H 1 2.200 0.000 . . . . . . A 391 GLN HB2 . 34475 1 609 . 1 . 1 52 52 GLN HB3 H 1 2.106 0.000 . . . . . . A 391 GLN HB3 . 34475 1 610 . 1 . 1 52 52 GLN HG2 H 1 2.544 0.000 . . . . . . A 391 GLN HG2 . 34475 1 611 . 1 . 1 52 52 GLN HG3 H 1 2.391 0.000 . . . . . . A 391 GLN HG3 . 34475 1 612 . 1 . 1 52 52 GLN HE21 H 1 7.305 0.000 . . . . . . A 391 GLN HE21 . 34475 1 613 . 1 . 1 52 52 GLN HE22 H 1 6.792 0.000 . . . . . . A 391 GLN HE22 . 34475 1 614 . 1 . 1 52 52 GLN C C 13 177.495 0.000 . . . . . . A 391 GLN C . 34475 1 615 . 1 . 1 52 52 GLN CA C 13 58.501 0.000 . . . . . . A 391 GLN CA . 34475 1 616 . 1 . 1 52 52 GLN CB C 13 28.733 0.018 . . . . . . A 391 GLN CB . 34475 1 617 . 1 . 1 52 52 GLN CG C 13 34.301 0.046 . . . . . . A 391 GLN CG . 34475 1 618 . 1 . 1 52 52 GLN N N 15 113.910 0.008 . . . . . . A 391 GLN N . 34475 1 619 . 1 . 1 52 52 GLN NE2 N 15 111.251 0.009 . . . . . . A 391 GLN NE2 . 34475 1 620 . 1 . 1 53 53 LYS H H 1 7.482 0.002 . . . . . . A 392 LYS H . 34475 1 621 . 1 . 1 53 53 LYS HA H 1 4.227 0.000 . . . . . . A 392 LYS HA . 34475 1 622 . 1 . 1 53 53 LYS HB2 H 1 1.761 0.000 . . . . . . A 392 LYS HB2 . 34475 1 623 . 1 . 1 53 53 LYS HB3 H 1 1.761 0.000 . . . . . . A 392 LYS HB3 . 34475 1 624 . 1 . 1 53 53 LYS HG2 H 1 1.439 0.000 . . . . . . A 392 LYS HG2 . 34475 1 625 . 1 . 1 53 53 LYS HG3 H 1 1.279 0.010 . . . . . . A 392 LYS HG3 . 34475 1 626 . 1 . 1 53 53 LYS C C 13 177.012 0.002 . . . . . . A 392 LYS C . 34475 1 627 . 1 . 1 53 53 LYS CA C 13 57.388 0.005 . . . . . . A 392 LYS CA . 34475 1 628 . 1 . 1 53 53 LYS CB C 13 32.666 0.072 . . . . . . A 392 LYS CB . 34475 1 629 . 1 . 1 53 53 LYS CG C 13 25.223 0.018 . . . . . . A 392 LYS CG . 34475 1 630 . 1 . 1 53 53 LYS CD C 13 29.132 0.000 . . . . . . A 392 LYS CD . 34475 1 631 . 1 . 1 53 53 LYS CE C 13 42.010 0.000 . . . . . . A 392 LYS CE . 34475 1 632 . 1 . 1 53 53 LYS N N 15 117.041 0.015 . . . . . . A 392 LYS N . 34475 1 633 . 1 . 1 54 54 HIS H H 1 7.859 0.002 . . . . . . A 393 HIS H . 34475 1 634 . 1 . 1 54 54 HIS HA H 1 4.866 0.000 . . . . . . A 393 HIS HA . 34475 1 635 . 1 . 1 54 54 HIS HB2 H 1 3.317 0.000 . . . . . . A 393 HIS HB2 . 34475 1 636 . 1 . 1 54 54 HIS HB3 H 1 2.569 0.000 . . . . . . A 393 HIS HB3 . 34475 1 637 . 1 . 1 54 54 HIS HD2 H 1 7.838 0.000 . . . . . . A 393 HIS HD2 . 34475 1 638 . 1 . 1 54 54 HIS HE1 H 1 7.380 0.003 . . . . . . A 393 HIS HE1 . 34475 1 639 . 1 . 1 54 54 HIS C C 13 175.945 0.005 . . . . . . A 393 HIS C . 34475 1 640 . 1 . 1 54 54 HIS CA C 13 55.916 0.005 . . . . . . A 393 HIS CA . 34475 1 641 . 1 . 1 54 54 HIS CB C 13 29.911 0.021 . . . . . . A 393 HIS CB . 34475 1 642 . 1 . 1 54 54 HIS N N 15 120.003 0.015 . . . . . . A 393 HIS N . 34475 1 643 . 1 . 1 55 55 THR H H 1 7.468 0.002 . . . . . . A 394 THR H . 34475 1 644 . 1 . 1 55 55 THR HA H 1 3.853 0.000 . . . . . . A 394 THR HA . 34475 1 645 . 1 . 1 55 55 THR HB H 1 4.191 0.000 . . . . . . A 394 THR HB . 34475 1 646 . 1 . 1 55 55 THR HG21 H 1 1.259 0.000 . . . . . . A 394 THR HG21 . 34475 1 647 . 1 . 1 55 55 THR HG22 H 1 1.259 0.000 . . . . . . A 394 THR HG22 . 34475 1 648 . 1 . 1 55 55 THR HG23 H 1 1.259 0.000 . . . . . . A 394 THR HG23 . 34475 1 649 . 1 . 1 55 55 THR C C 13 177.399 0.001 . . . . . . A 394 THR C . 34475 1 650 . 1 . 1 55 55 THR CA C 13 65.832 0.025 . . . . . . A 394 THR CA . 34475 1 651 . 1 . 1 55 55 THR CB C 13 68.612 0.041 . . . . . . A 394 THR CB . 34475 1 652 . 1 . 1 55 55 THR CG2 C 13 22.184 0.018 . . . . . . A 394 THR CG2 . 34475 1 653 . 1 . 1 55 55 THR N N 15 113.014 0.019 . . . . . . A 394 THR N . 34475 1 654 . 1 . 1 56 56 GLU H H 1 8.907 0.002 . . . . . . A 395 GLU H . 34475 1 655 . 1 . 1 56 56 GLU HA H 1 4.140 0.000 . . . . . . A 395 GLU HA . 34475 1 656 . 1 . 1 56 56 GLU HB2 H 1 2.125 0.002 . . . . . . A 395 GLU HB2 . 34475 1 657 . 1 . 1 56 56 GLU HB3 H 1 1.823 0.000 . . . . . . A 395 GLU HB3 . 34475 1 658 . 1 . 1 56 56 GLU HG2 H 1 2.450 0.000 . . . . . . A 395 GLU HG2 . 34475 1 659 . 1 . 1 56 56 GLU HG3 H 1 2.389 0.000 . . . . . . A 395 GLU HG3 . 34475 1 660 . 1 . 1 56 56 GLU C C 13 178.295 0.005 . . . . . . A 395 GLU C . 34475 1 661 . 1 . 1 56 56 GLU CA C 13 59.708 0.000 . . . . . . A 395 GLU CA . 34475 1 662 . 1 . 1 56 56 GLU CB C 13 28.689 0.042 . . . . . . A 395 GLU CB . 34475 1 663 . 1 . 1 56 56 GLU CG C 13 36.643 0.006 . . . . . . A 395 GLU CG . 34475 1 664 . 1 . 1 56 56 GLU N N 15 122.465 0.019 . . . . . . A 395 GLU N . 34475 1 665 . 1 . 1 57 57 MET H H 1 7.835 0.002 . . . . . . A 396 MET H . 34475 1 666 . 1 . 1 57 57 MET HA H 1 3.087 0.003 . . . . . . A 396 MET HA . 34475 1 667 . 1 . 1 57 57 MET HB2 H 1 2.136 0.000 . . . . . . A 396 MET HB2 . 34475 1 668 . 1 . 1 57 57 MET HB3 H 1 1.529 0.003 . . . . . . A 396 MET HB3 . 34475 1 669 . 1 . 1 57 57 MET HG2 H 1 2.056 0.000 . . . . . . A 396 MET HG2 . 34475 1 670 . 1 . 1 57 57 MET HG3 H 1 1.974 0.000 . . . . . . A 396 MET HG3 . 34475 1 671 . 1 . 1 57 57 MET HE1 H 1 1.704 0.000 . . . . . . A 396 MET HE1 . 34475 1 672 . 1 . 1 57 57 MET HE2 H 1 1.704 0.000 . . . . . . A 396 MET HE2 . 34475 1 673 . 1 . 1 57 57 MET HE3 H 1 1.704 0.000 . . . . . . A 396 MET HE3 . 34475 1 674 . 1 . 1 57 57 MET C C 13 177.331 0.001 . . . . . . A 396 MET C . 34475 1 675 . 1 . 1 57 57 MET CA C 13 58.230 0.050 . . . . . . A 396 MET CA . 34475 1 676 . 1 . 1 57 57 MET CB C 13 32.638 0.059 . . . . . . A 396 MET CB . 34475 1 677 . 1 . 1 57 57 MET CG C 13 31.445 0.040 . . . . . . A 396 MET CG . 34475 1 678 . 1 . 1 57 57 MET CE C 13 17.082 0.000 . . . . . . A 396 MET CE . 34475 1 679 . 1 . 1 57 57 MET N N 15 120.220 0.012 . . . . . . A 396 MET N . 34475 1 680 . 1 . 1 58 58 ILE H H 1 7.400 0.003 . . . . . . A 397 ILE H . 34475 1 681 . 1 . 1 58 58 ILE HA H 1 3.567 0.002 . . . . . . A 397 ILE HA . 34475 1 682 . 1 . 1 58 58 ILE HB H 1 2.090 0.003 . . . . . . A 397 ILE HB . 34475 1 683 . 1 . 1 58 58 ILE HG12 H 1 1.551 0.003 . . . . . . A 397 ILE HG12 . 34475 1 684 . 1 . 1 58 58 ILE HG13 H 1 0.865 0.000 . . . . . . A 397 ILE HG13 . 34475 1 685 . 1 . 1 58 58 ILE HG21 H 1 1.071 0.000 . . . . . . A 397 ILE HG21 . 34475 1 686 . 1 . 1 58 58 ILE HG22 H 1 1.071 0.000 . . . . . . A 397 ILE HG22 . 34475 1 687 . 1 . 1 58 58 ILE HG23 H 1 1.071 0.000 . . . . . . A 397 ILE HG23 . 34475 1 688 . 1 . 1 58 58 ILE HD11 H 1 0.677 0.000 . . . . . . A 397 ILE HD11 . 34475 1 689 . 1 . 1 58 58 ILE HD12 H 1 0.677 0.000 . . . . . . A 397 ILE HD12 . 34475 1 690 . 1 . 1 58 58 ILE HD13 H 1 0.677 0.000 . . . . . . A 397 ILE HD13 . 34475 1 691 . 1 . 1 58 58 ILE C C 13 177.585 0.005 . . . . . . A 397 ILE C . 34475 1 692 . 1 . 1 58 58 ILE CA C 13 65.475 0.063 . . . . . . A 397 ILE CA . 34475 1 693 . 1 . 1 58 58 ILE CB C 13 36.975 0.063 . . . . . . A 397 ILE CB . 34475 1 694 . 1 . 1 58 58 ILE CG1 C 13 29.287 0.036 . . . . . . A 397 ILE CG1 . 34475 1 695 . 1 . 1 58 58 ILE CG2 C 13 18.237 0.013 . . . . . . A 397 ILE CG2 . 34475 1 696 . 1 . 1 58 58 ILE CD1 C 13 13.121 0.000 . . . . . . A 397 ILE CD1 . 34475 1 697 . 1 . 1 58 58 ILE N N 15 119.273 0.021 . . . . . . A 397 ILE N . 34475 1 698 . 1 . 1 59 59 THR H H 1 7.944 0.003 . . . . . . A 398 THR H . 34475 1 699 . 1 . 1 59 59 THR HA H 1 4.422 0.000 . . . . . . A 398 THR HA . 34475 1 700 . 1 . 1 59 59 THR HB H 1 3.952 0.000 . . . . . . A 398 THR HB . 34475 1 701 . 1 . 1 59 59 THR HG21 H 1 1.287 0.000 . . . . . . A 398 THR HG21 . 34475 1 702 . 1 . 1 59 59 THR HG22 H 1 1.287 0.000 . . . . . . A 398 THR HG22 . 34475 1 703 . 1 . 1 59 59 THR HG23 H 1 1.287 0.000 . . . . . . A 398 THR HG23 . 34475 1 704 . 1 . 1 59 59 THR C C 13 176.633 0.000 . . . . . . A 398 THR C . 34475 1 705 . 1 . 1 59 59 THR CA C 13 68.323 0.028 . . . . . . A 398 THR CA . 34475 1 706 . 1 . 1 59 59 THR CB C 13 66.999 0.092 . . . . . . A 398 THR CB . 34475 1 707 . 1 . 1 59 59 THR CG2 C 13 22.546 0.023 . . . . . . A 398 THR CG2 . 34475 1 708 . 1 . 1 59 59 THR N N 15 117.454 0.034 . . . . . . A 398 THR N . 34475 1 709 . 1 . 1 60 60 THR H H 1 8.254 0.004 . . . . . . A 399 THR H . 34475 1 710 . 1 . 1 60 60 THR HA H 1 4.475 0.000 . . . . . . A 399 THR HA . 34475 1 711 . 1 . 1 60 60 THR HB H 1 3.864 0.000 . . . . . . A 399 THR HB . 34475 1 712 . 1 . 1 60 60 THR HG21 H 1 1.196 0.000 . . . . . . A 399 THR HG21 . 34475 1 713 . 1 . 1 60 60 THR HG22 H 1 1.196 0.000 . . . . . . A 399 THR HG22 . 34475 1 714 . 1 . 1 60 60 THR HG23 H 1 1.196 0.000 . . . . . . A 399 THR HG23 . 34475 1 715 . 1 . 1 60 60 THR C C 13 175.951 0.000 . . . . . . A 399 THR C . 34475 1 716 . 1 . 1 60 60 THR CA C 13 66.955 0.110 . . . . . . A 399 THR CA . 34475 1 717 . 1 . 1 60 60 THR CB C 13 67.125 0.000 . . . . . . A 399 THR CB . 34475 1 718 . 1 . 1 60 60 THR CG2 C 13 23.303 0.021 . . . . . . A 399 THR CG2 . 34475 1 719 . 1 . 1 60 60 THR N N 15 121.520 0.036 . . . . . . A 399 THR N . 34475 1 720 . 1 . 1 61 61 LEU H H 1 8.108 0.003 . . . . . . A 400 LEU H . 34475 1 721 . 1 . 1 61 61 LEU HA H 1 3.926 0.000 . . . . . . A 400 LEU HA . 34475 1 722 . 1 . 1 61 61 LEU HB2 H 1 2.328 0.001 . . . . . . A 400 LEU HB2 . 34475 1 723 . 1 . 1 61 61 LEU HB3 H 1 1.475 0.000 . . . . . . A 400 LEU HB3 . 34475 1 724 . 1 . 1 61 61 LEU HG H 1 1.984 0.003 . . . . . . A 400 LEU HG . 34475 1 725 . 1 . 1 61 61 LEU HD11 H 1 0.802 0.000 . . . . . . A 400 LEU HD11 . 34475 1 726 . 1 . 1 61 61 LEU HD12 H 1 0.802 0.000 . . . . . . A 400 LEU HD12 . 34475 1 727 . 1 . 1 61 61 LEU HD13 H 1 0.802 0.000 . . . . . . A 400 LEU HD13 . 34475 1 728 . 1 . 1 61 61 LEU HD21 H 1 0.886 0.002 . . . . . . A 400 LEU HD21 . 34475 1 729 . 1 . 1 61 61 LEU HD22 H 1 0.886 0.002 . . . . . . A 400 LEU HD22 . 34475 1 730 . 1 . 1 61 61 LEU HD23 H 1 0.886 0.002 . . . . . . A 400 LEU HD23 . 34475 1 731 . 1 . 1 61 61 LEU C C 13 177.602 0.005 . . . . . . A 400 LEU C . 34475 1 732 . 1 . 1 61 61 LEU CA C 13 58.200 0.047 . . . . . . A 400 LEU CA . 34475 1 733 . 1 . 1 61 61 LEU CB C 13 42.139 0.041 . . . . . . A 400 LEU CB . 34475 1 734 . 1 . 1 61 61 LEU CG C 13 26.522 0.002 . . . . . . A 400 LEU CG . 34475 1 735 . 1 . 1 61 61 LEU CD1 C 13 22.801 0.000 . . . . . . A 400 LEU CD1 . 34475 1 736 . 1 . 1 61 61 LEU CD2 C 13 26.286 0.000 . . . . . . A 400 LEU CD2 . 34475 1 737 . 1 . 1 61 61 LEU N N 15 119.496 0.011 . . . . . . A 400 LEU N . 34475 1 738 . 1 . 1 62 62 LYS H H 1 8.018 0.002 . . . . . . A 401 LYS H . 34475 1 739 . 1 . 1 62 62 LYS HA H 1 3.006 0.000 . . . . . . A 401 LYS HA . 34475 1 740 . 1 . 1 62 62 LYS HB2 H 1 1.988 0.001 . . . . . . A 401 LYS HB2 . 34475 1 741 . 1 . 1 62 62 LYS HB3 H 1 1.642 0.000 . . . . . . A 401 LYS HB3 . 34475 1 742 . 1 . 1 62 62 LYS HG2 H 1 1.079 0.000 . . . . . . A 401 LYS HG2 . 34475 1 743 . 1 . 1 62 62 LYS HG3 H 1 0.616 0.002 . . . . . . A 401 LYS HG3 . 34475 1 744 . 1 . 1 62 62 LYS HE2 H 1 3.009 0.000 . . . . . . A 401 LYS HE2 . 34475 1 745 . 1 . 1 62 62 LYS HE3 H 1 2.884 0.000 . . . . . . A 401 LYS HE3 . 34475 1 746 . 1 . 1 62 62 LYS C C 13 179.583 0.005 . . . . . . A 401 LYS C . 34475 1 747 . 1 . 1 62 62 LYS CA C 13 59.370 0.000 . . . . . . A 401 LYS CA . 34475 1 748 . 1 . 1 62 62 LYS CB C 13 32.979 0.114 . . . . . . A 401 LYS CB . 34475 1 749 . 1 . 1 62 62 LYS CG C 13 25.539 0.039 . . . . . . A 401 LYS CG . 34475 1 750 . 1 . 1 62 62 LYS CE C 13 42.309 0.000 . . . . . . A 401 LYS CE . 34475 1 751 . 1 . 1 62 62 LYS N N 15 117.110 0.009 . . . . . . A 401 LYS N . 34475 1 752 . 1 . 1 63 63 LYS H H 1 7.801 0.005 . . . . . . A 402 LYS H . 34475 1 753 . 1 . 1 63 63 LYS HA H 1 4.050 0.000 . . . . . . A 402 LYS HA . 34475 1 754 . 1 . 1 63 63 LYS HB2 H 1 2.028 0.000 . . . . . . A 402 LYS HB2 . 34475 1 755 . 1 . 1 63 63 LYS HB3 H 1 1.975 0.000 . . . . . . A 402 LYS HB3 . 34475 1 756 . 1 . 1 63 63 LYS HG2 H 1 1.672 0.000 . . . . . . A 402 LYS HG2 . 34475 1 757 . 1 . 1 63 63 LYS HG3 H 1 1.455 0.001 . . . . . . A 402 LYS HG3 . 34475 1 758 . 1 . 1 63 63 LYS HD2 H 1 1.705 0.000 . . . . . . A 402 LYS HD2 . 34475 1 759 . 1 . 1 63 63 LYS HD3 H 1 1.705 0.000 . . . . . . A 402 LYS HD3 . 34475 1 760 . 1 . 1 63 63 LYS HE2 H 1 2.961 0.003 . . . . . . A 402 LYS HE2 . 34475 1 761 . 1 . 1 63 63 LYS HE3 H 1 2.961 0.003 . . . . . . A 402 LYS HE3 . 34475 1 762 . 1 . 1 63 63 LYS C C 13 179.731 0.000 . . . . . . A 402 LYS C . 34475 1 763 . 1 . 1 63 63 LYS CA C 13 59.224 0.041 . . . . . . A 402 LYS CA . 34475 1 764 . 1 . 1 63 63 LYS CB C 13 33.000 0.014 . . . . . . A 402 LYS CB . 34475 1 765 . 1 . 1 63 63 LYS CG C 13 25.539 0.081 . . . . . . A 402 LYS CG . 34475 1 766 . 1 . 1 63 63 LYS CD C 13 29.345 0.000 . . . . . . A 402 LYS CD . 34475 1 767 . 1 . 1 63 63 LYS CE C 13 42.156 0.000 . . . . . . A 402 LYS CE . 34475 1 768 . 1 . 1 63 63 LYS N N 15 117.889 0.021 . . . . . . A 402 LYS N . 34475 1 769 . 1 . 1 64 64 ILE H H 1 7.931 0.003 . . . . . . A 403 ILE H . 34475 1 770 . 1 . 1 64 64 ILE HA H 1 4.007 0.000 . . . . . . A 403 ILE HA . 34475 1 771 . 1 . 1 64 64 ILE HB H 1 1.970 0.006 . . . . . . A 403 ILE HB . 34475 1 772 . 1 . 1 64 64 ILE HG12 H 1 1.643 0.000 . . . . . . A 403 ILE HG12 . 34475 1 773 . 1 . 1 64 64 ILE HG13 H 1 1.438 0.000 . . . . . . A 403 ILE HG13 . 34475 1 774 . 1 . 1 64 64 ILE HG21 H 1 0.803 0.000 . . . . . . A 403 ILE HG21 . 34475 1 775 . 1 . 1 64 64 ILE HG22 H 1 0.803 0.000 . . . . . . A 403 ILE HG22 . 34475 1 776 . 1 . 1 64 64 ILE HG23 H 1 0.803 0.000 . . . . . . A 403 ILE HG23 . 34475 1 777 . 1 . 1 64 64 ILE HD11 H 1 0.676 0.000 . . . . . . A 403 ILE HD11 . 34475 1 778 . 1 . 1 64 64 ILE HD12 H 1 0.676 0.000 . . . . . . A 403 ILE HD12 . 34475 1 779 . 1 . 1 64 64 ILE HD13 H 1 0.676 0.000 . . . . . . A 403 ILE HD13 . 34475 1 780 . 1 . 1 64 64 ILE C C 13 176.039 0.000 . . . . . . A 403 ILE C . 34475 1 781 . 1 . 1 64 64 ILE CA C 13 64.505 0.053 . . . . . . A 403 ILE CA . 34475 1 782 . 1 . 1 64 64 ILE CB C 13 37.006 0.145 . . . . . . A 403 ILE CB . 34475 1 783 . 1 . 1 64 64 ILE CG1 C 13 26.204 0.027 . . . . . . A 403 ILE CG1 . 34475 1 784 . 1 . 1 64 64 ILE CG2 C 13 17.471 0.000 . . . . . . A 403 ILE CG2 . 34475 1 785 . 1 . 1 64 64 ILE CD1 C 13 14.482 0.000 . . . . . . A 403 ILE CD1 . 34475 1 786 . 1 . 1 64 64 ILE N N 15 115.298 0.030 . . . . . . A 403 ILE N . 34475 1 787 . 1 . 1 65 65 ARG H H 1 7.142 0.003 . . . . . . A 404 ARG H . 34475 1 788 . 1 . 1 65 65 ARG HA H 1 4.254 0.000 . . . . . . A 404 ARG HA . 34475 1 789 . 1 . 1 65 65 ARG HB2 H 1 1.832 0.000 . . . . . . A 404 ARG HB2 . 34475 1 790 . 1 . 1 65 65 ARG HB3 H 1 1.832 0.000 . . . . . . A 404 ARG HB3 . 34475 1 791 . 1 . 1 65 65 ARG HG2 H 1 2.014 0.000 . . . . . . A 404 ARG HG2 . 34475 1 792 . 1 . 1 65 65 ARG HG3 H 1 1.654 0.000 . . . . . . A 404 ARG HG3 . 34475 1 793 . 1 . 1 65 65 ARG HD2 H 1 3.142 0.000 . . . . . . A 404 ARG HD2 . 34475 1 794 . 1 . 1 65 65 ARG HD3 H 1 3.069 0.000 . . . . . . A 404 ARG HD3 . 34475 1 795 . 1 . 1 65 65 ARG C C 13 176.581 0.000 . . . . . . A 404 ARG C . 34475 1 796 . 1 . 1 65 65 ARG CA C 13 58.600 0.047 . . . . . . A 404 ARG CA . 34475 1 797 . 1 . 1 65 65 ARG CB C 13 30.479 0.082 . . . . . . A 404 ARG CB . 34475 1 798 . 1 . 1 65 65 ARG CG C 13 25.617 0.022 . . . . . . A 404 ARG CG . 34475 1 799 . 1 . 1 65 65 ARG CD C 13 44.202 0.012 . . . . . . A 404 ARG CD . 34475 1 800 . 1 . 1 65 65 ARG N N 15 118.087 0.020 . . . . . . A 404 ARG N . 34475 1 801 . 1 . 1 66 66 ARG H H 1 7.301 0.004 . . . . . . A 405 ARG H . 34475 1 802 . 1 . 1 66 66 ARG HA H 1 4.436 0.000 . . . . . . A 405 ARG HA . 34475 1 803 . 1 . 1 66 66 ARG HB2 H 1 2.081 0.000 . . . . . . A 405 ARG HB2 . 34475 1 804 . 1 . 1 66 66 ARG HB3 H 1 1.726 0.002 . . . . . . A 405 ARG HB3 . 34475 1 805 . 1 . 1 66 66 ARG HG2 H 1 1.630 0.000 . . . . . . A 405 ARG HG2 . 34475 1 806 . 1 . 1 66 66 ARG HG3 H 1 1.557 0.000 . . . . . . A 405 ARG HG3 . 34475 1 807 . 1 . 1 66 66 ARG HD2 H 1 3.174 0.000 . . . . . . A 405 ARG HD2 . 34475 1 808 . 1 . 1 66 66 ARG HD3 H 1 3.174 0.000 . . . . . . A 405 ARG HD3 . 34475 1 809 . 1 . 1 66 66 ARG C C 13 176.452 0.000 . . . . . . A 405 ARG C . 34475 1 810 . 1 . 1 66 66 ARG CA C 13 54.730 0.022 . . . . . . A 405 ARG CA . 34475 1 811 . 1 . 1 66 66 ARG CB C 13 29.660 0.061 . . . . . . A 405 ARG CB . 34475 1 812 . 1 . 1 66 66 ARG CG C 13 27.205 0.057 . . . . . . A 405 ARG CG . 34475 1 813 . 1 . 1 66 66 ARG CD C 13 43.202 0.000 . . . . . . A 405 ARG CD . 34475 1 814 . 1 . 1 66 66 ARG N N 15 113.509 0.016 . . . . . . A 405 ARG N . 34475 1 815 . 1 . 1 67 67 PHE H H 1 7.640 0.003 . . . . . . A 406 PHE H . 34475 1 816 . 1 . 1 67 67 PHE HA H 1 4.670 0.000 . . . . . . A 406 PHE HA . 34475 1 817 . 1 . 1 67 67 PHE HB2 H 1 3.112 0.000 . . . . . . A 406 PHE HB2 . 34475 1 818 . 1 . 1 67 67 PHE HB3 H 1 3.256 0.005 . . . . . . A 406 PHE HB3 . 34475 1 819 . 1 . 1 67 67 PHE HD1 H 1 7.351 0.000 . . . . . . A 406 PHE HD1 . 34475 1 820 . 1 . 1 67 67 PHE HD2 H 1 7.351 0.000 . . . . . . A 406 PHE HD2 . 34475 1 821 . 1 . 1 67 67 PHE HE1 H 1 7.257 0.000 . . . . . . A 406 PHE HE1 . 34475 1 822 . 1 . 1 67 67 PHE HE2 H 1 7.257 0.000 . . . . . . A 406 PHE HE2 . 34475 1 823 . 1 . 1 67 67 PHE C C 13 174.485 0.005 . . . . . . A 406 PHE C . 34475 1 824 . 1 . 1 67 67 PHE CA C 13 57.734 0.051 . . . . . . A 406 PHE CA . 34475 1 825 . 1 . 1 67 67 PHE CB C 13 38.741 0.073 . . . . . . A 406 PHE CB . 34475 1 826 . 1 . 1 67 67 PHE CD1 C 13 132.075 0.000 . . . . . . A 406 PHE CD1 . 34475 1 827 . 1 . 1 67 67 PHE CE1 C 13 129.832 0.000 . . . . . . A 406 PHE CE1 . 34475 1 828 . 1 . 1 67 67 PHE N N 15 121.880 0.004 . . . . . . A 406 PHE N . 34475 1 829 . 1 . 1 68 68 LYS H H 1 8.004 0.005 . . . . . . A 407 LYS H . 34475 1 830 . 1 . 1 68 68 LYS HA H 1 4.277 0.004 . . . . . . A 407 LYS HA . 34475 1 831 . 1 . 1 68 68 LYS HB2 H 1 1.821 0.000 . . . . . . A 407 LYS HB2 . 34475 1 832 . 1 . 1 68 68 LYS HB3 H 1 1.735 0.000 . . . . . . A 407 LYS HB3 . 34475 1 833 . 1 . 1 68 68 LYS HG2 H 1 1.422 0.005 . . . . . . A 407 LYS HG2 . 34475 1 834 . 1 . 1 68 68 LYS HG3 H 1 1.422 0.005 . . . . . . A 407 LYS HG3 . 34475 1 835 . 1 . 1 68 68 LYS HD2 H 1 1.693 0.000 . . . . . . A 407 LYS HD2 . 34475 1 836 . 1 . 1 68 68 LYS HD3 H 1 1.693 0.000 . . . . . . A 407 LYS HD3 . 34475 1 837 . 1 . 1 68 68 LYS HE2 H 1 2.997 0.000 . . . . . . A 407 LYS HE2 . 34475 1 838 . 1 . 1 68 68 LYS HE3 H 1 2.997 0.000 . . . . . . A 407 LYS HE3 . 34475 1 839 . 1 . 1 68 68 LYS C C 13 176.572 0.003 . . . . . . A 407 LYS C . 34475 1 840 . 1 . 1 68 68 LYS CA C 13 57.687 0.119 . . . . . . A 407 LYS CA . 34475 1 841 . 1 . 1 68 68 LYS CB C 13 31.919 0.088 . . . . . . A 407 LYS CB . 34475 1 842 . 1 . 1 68 68 LYS CG C 13 24.767 0.062 . . . . . . A 407 LYS CG . 34475 1 843 . 1 . 1 68 68 LYS CD C 13 29.172 0.000 . . . . . . A 407 LYS CD . 34475 1 844 . 1 . 1 68 68 LYS N N 15 123.939 0.024 . . . . . . A 407 LYS N . 34475 1 845 . 1 . 1 69 69 VAL H H 1 6.838 0.007 . . . . . . A 408 VAL H . 34475 1 846 . 1 . 1 69 69 VAL HA H 1 3.941 0.000 . . . . . . A 408 VAL HA . 34475 1 847 . 1 . 1 69 69 VAL HB H 1 1.578 0.004 . . . . . . A 408 VAL HB . 34475 1 848 . 1 . 1 69 69 VAL HG11 H 1 0.745 0.000 . . . . . . A 408 VAL HG11 . 34475 1 849 . 1 . 1 69 69 VAL HG12 H 1 0.745 0.000 . . . . . . A 408 VAL HG12 . 34475 1 850 . 1 . 1 69 69 VAL HG13 H 1 0.745 0.000 . . . . . . A 408 VAL HG13 . 34475 1 851 . 1 . 1 69 69 VAL HG21 H 1 0.832 0.000 . . . . . . A 408 VAL HG21 . 34475 1 852 . 1 . 1 69 69 VAL HG22 H 1 0.832 0.000 . . . . . . A 408 VAL HG22 . 34475 1 853 . 1 . 1 69 69 VAL HG23 H 1 0.832 0.000 . . . . . . A 408 VAL HG23 . 34475 1 854 . 1 . 1 69 69 VAL C C 13 175.457 0.008 . . . . . . A 408 VAL C . 34475 1 855 . 1 . 1 69 69 VAL CA C 13 62.546 0.040 . . . . . . A 408 VAL CA . 34475 1 856 . 1 . 1 69 69 VAL CB C 13 32.739 0.042 . . . . . . A 408 VAL CB . 34475 1 857 . 1 . 1 69 69 VAL CG1 C 13 20.909 0.049 . . . . . . A 408 VAL CG1 . 34475 1 858 . 1 . 1 69 69 VAL CG2 C 13 21.306 0.000 . . . . . . A 408 VAL CG2 . 34475 1 859 . 1 . 1 69 69 VAL N N 15 115.321 0.019 . . . . . . A 408 VAL N . 34475 1 860 . 1 . 1 70 70 SER H H 1 7.501 0.004 . . . . . . A 409 SER H . 34475 1 861 . 1 . 1 70 70 SER HA H 1 4.268 0.000 . . . . . . A 409 SER HA . 34475 1 862 . 1 . 1 70 70 SER HB2 H 1 4.008 0.000 . . . . . . A 409 SER HB2 . 34475 1 863 . 1 . 1 70 70 SER HB3 H 1 3.813 0.000 . . . . . . A 409 SER HB3 . 34475 1 864 . 1 . 1 70 70 SER C C 13 174.138 0.000 . . . . . . A 409 SER C . 34475 1 865 . 1 . 1 70 70 SER CA C 13 56.513 0.000 . . . . . . A 409 SER CA . 34475 1 866 . 1 . 1 70 70 SER CB C 13 64.592 0.029 . . . . . . A 409 SER CB . 34475 1 867 . 1 . 1 70 70 SER N N 15 112.241 0.031 . . . . . . A 409 SER N . 34475 1 868 . 1 . 1 71 71 GLN HA H 1 4.119 0.000 . . . . . . A 410 GLN HA . 34475 1 869 . 1 . 1 71 71 GLN HB2 H 1 2.216 0.000 . . . . . . A 410 GLN HB2 . 34475 1 870 . 1 . 1 71 71 GLN HB3 H 1 2.103 0.000 . . . . . . A 410 GLN HB3 . 34475 1 871 . 1 . 1 71 71 GLN HG2 H 1 2.487 0.000 . . . . . . A 410 GLN HG2 . 34475 1 872 . 1 . 1 71 71 GLN HG3 H 1 2.487 0.000 . . . . . . A 410 GLN HG3 . 34475 1 873 . 1 . 1 71 71 GLN C C 13 177.685 0.008 . . . . . . A 410 GLN C . 34475 1 874 . 1 . 1 71 71 GLN CA C 13 59.104 0.003 . . . . . . A 410 GLN CA . 34475 1 875 . 1 . 1 71 71 GLN CB C 13 28.131 0.080 . . . . . . A 410 GLN CB . 34475 1 876 . 1 . 1 71 71 GLN CG C 13 33.388 0.013 . . . . . . A 410 GLN CG . 34475 1 877 . 1 . 1 72 72 VAL H H 1 7.797 0.002 . . . . . . A 411 VAL H . 34475 1 878 . 1 . 1 72 72 VAL HA H 1 3.920 0.000 . . . . . . A 411 VAL HA . 34475 1 879 . 1 . 1 72 72 VAL HB H 1 1.872 0.003 . . . . . . A 411 VAL HB . 34475 1 880 . 1 . 1 72 72 VAL HG11 H 1 1.086 0.000 . . . . . . A 411 VAL HG11 . 34475 1 881 . 1 . 1 72 72 VAL HG12 H 1 1.086 0.000 . . . . . . A 411 VAL HG12 . 34475 1 882 . 1 . 1 72 72 VAL HG13 H 1 1.086 0.000 . . . . . . A 411 VAL HG13 . 34475 1 883 . 1 . 1 72 72 VAL HG21 H 1 0.992 0.000 . . . . . . A 411 VAL HG21 . 34475 1 884 . 1 . 1 72 72 VAL HG22 H 1 0.992 0.000 . . . . . . A 411 VAL HG22 . 34475 1 885 . 1 . 1 72 72 VAL HG23 H 1 0.992 0.000 . . . . . . A 411 VAL HG23 . 34475 1 886 . 1 . 1 72 72 VAL C C 13 178.332 0.001 . . . . . . A 411 VAL C . 34475 1 887 . 1 . 1 72 72 VAL CA C 13 66.089 0.010 . . . . . . A 411 VAL CA . 34475 1 888 . 1 . 1 72 72 VAL CB C 13 31.795 0.206 . . . . . . A 411 VAL CB . 34475 1 889 . 1 . 1 72 72 VAL CG1 C 13 21.904 0.214 . . . . . . A 411 VAL CG1 . 34475 1 890 . 1 . 1 72 72 VAL CG2 C 13 21.676 0.000 . . . . . . A 411 VAL CG2 . 34475 1 891 . 1 . 1 72 72 VAL N N 15 118.049 0.029 . . . . . . A 411 VAL N . 34475 1 892 . 1 . 1 73 73 ILE H H 1 7.577 0.003 . . . . . . A 412 ILE H . 34475 1 893 . 1 . 1 73 73 ILE HA H 1 3.500 0.013 . . . . . . A 412 ILE HA . 34475 1 894 . 1 . 1 73 73 ILE HB H 1 2.071 0.000 . . . . . . A 412 ILE HB . 34475 1 895 . 1 . 1 73 73 ILE HG12 H 1 1.835 0.000 . . . . . . A 412 ILE HG12 . 34475 1 896 . 1 . 1 73 73 ILE HG13 H 1 0.958 0.000 . . . . . . A 412 ILE HG13 . 34475 1 897 . 1 . 1 73 73 ILE HG21 H 1 0.927 0.000 . . . . . . A 412 ILE HG21 . 34475 1 898 . 1 . 1 73 73 ILE HG22 H 1 0.927 0.000 . . . . . . A 412 ILE HG22 . 34475 1 899 . 1 . 1 73 73 ILE HG23 H 1 0.927 0.000 . . . . . . A 412 ILE HG23 . 34475 1 900 . 1 . 1 73 73 ILE HD11 H 1 1.165 0.000 . . . . . . A 412 ILE HD11 . 34475 1 901 . 1 . 1 73 73 ILE HD12 H 1 1.165 0.000 . . . . . . A 412 ILE HD12 . 34475 1 902 . 1 . 1 73 73 ILE HD13 H 1 1.165 0.000 . . . . . . A 412 ILE HD13 . 34475 1 903 . 1 . 1 73 73 ILE C C 13 179.339 0.002 . . . . . . A 412 ILE C . 34475 1 904 . 1 . 1 73 73 ILE CA C 13 66.159 0.002 . . . . . . A 412 ILE CA . 34475 1 905 . 1 . 1 73 73 ILE CB C 13 37.650 0.112 . . . . . . A 412 ILE CB . 34475 1 906 . 1 . 1 73 73 ILE CG1 C 13 30.546 0.000 . . . . . . A 412 ILE CG1 . 34475 1 907 . 1 . 1 73 73 ILE CG2 C 13 17.172 0.007 . . . . . . A 412 ILE CG2 . 34475 1 908 . 1 . 1 73 73 ILE CD1 C 13 14.191 0.000 . . . . . . A 412 ILE CD1 . 34475 1 909 . 1 . 1 73 73 ILE N N 15 120.047 0.015 . . . . . . A 412 ILE N . 34475 1 910 . 1 . 1 74 74 MET H H 1 8.203 0.003 . . . . . . A 413 MET H . 34475 1 911 . 1 . 1 74 74 MET HA H 1 4.066 0.000 . . . . . . A 413 MET HA . 34475 1 912 . 1 . 1 74 74 MET HB2 H 1 2.244 0.001 . . . . . . A 413 MET HB2 . 34475 1 913 . 1 . 1 74 74 MET HB3 H 1 2.347 0.000 . . . . . . A 413 MET HB3 . 34475 1 914 . 1 . 1 74 74 MET HG2 H 1 2.871 0.000 . . . . . . A 413 MET HG2 . 34475 1 915 . 1 . 1 74 74 MET HG3 H 1 2.336 0.000 . . . . . . A 413 MET HG3 . 34475 1 916 . 1 . 1 74 74 MET HE1 H 1 2.108 0.000 . . . . . . A 413 MET HE1 . 34475 1 917 . 1 . 1 74 74 MET HE2 H 1 2.108 0.000 . . . . . . A 413 MET HE2 . 34475 1 918 . 1 . 1 74 74 MET HE3 H 1 2.108 0.000 . . . . . . A 413 MET HE3 . 34475 1 919 . 1 . 1 74 74 MET C C 13 178.912 0.000 . . . . . . A 413 MET C . 34475 1 920 . 1 . 1 74 74 MET CA C 13 60.695 0.063 . . . . . . A 413 MET CA . 34475 1 921 . 1 . 1 74 74 MET CB C 13 33.175 0.174 . . . . . . A 413 MET CB . 34475 1 922 . 1 . 1 74 74 MET CG C 13 32.086 0.016 . . . . . . A 413 MET CG . 34475 1 923 . 1 . 1 74 74 MET CE C 13 16.795 0.000 . . . . . . A 413 MET CE . 34475 1 924 . 1 . 1 74 74 MET N N 15 121.594 0.025 . . . . . . A 413 MET N . 34475 1 925 . 1 . 1 75 75 GLU H H 1 8.661 0.006 . . . . . . A 414 GLU H . 34475 1 926 . 1 . 1 75 75 GLU HA H 1 4.090 0.000 . . . . . . A 414 GLU HA . 34475 1 927 . 1 . 1 75 75 GLU HB2 H 1 2.270 0.000 . . . . . . A 414 GLU HB2 . 34475 1 928 . 1 . 1 75 75 GLU HB3 H 1 2.147 0.000 . . . . . . A 414 GLU HB3 . 34475 1 929 . 1 . 1 75 75 GLU HG2 H 1 2.545 0.000 . . . . . . A 414 GLU HG2 . 34475 1 930 . 1 . 1 75 75 GLU HG3 H 1 2.335 0.000 . . . . . . A 414 GLU HG3 . 34475 1 931 . 1 . 1 75 75 GLU C C 13 179.963 0.000 . . . . . . A 414 GLU C . 34475 1 932 . 1 . 1 75 75 GLU CA C 13 60.015 0.006 . . . . . . A 414 GLU CA . 34475 1 933 . 1 . 1 75 75 GLU CB C 13 29.885 0.000 . . . . . . A 414 GLU CB . 34475 1 934 . 1 . 1 75 75 GLU CG C 13 36.543 0.046 . . . . . . A 414 GLU CG . 34475 1 935 . 1 . 1 75 75 GLU N N 15 121.396 0.030 . . . . . . A 414 GLU N . 34475 1 936 . 1 . 1 76 76 LYS H H 1 8.717 0.002 . . . . . . A 415 LYS H . 34475 1 937 . 1 . 1 76 76 LYS HA H 1 4.195 0.007 . . . . . . A 415 LYS HA . 34475 1 938 . 1 . 1 76 76 LYS HB2 H 1 1.826 0.000 . . . . . . A 415 LYS HB2 . 34475 1 939 . 1 . 1 76 76 LYS HB3 H 1 1.826 0.000 . . . . . . A 415 LYS HB3 . 34475 1 940 . 1 . 1 76 76 LYS HG2 H 1 1.750 0.000 . . . . . . A 415 LYS HG2 . 34475 1 941 . 1 . 1 76 76 LYS HG3 H 1 1.600 0.000 . . . . . . A 415 LYS HG3 . 34475 1 942 . 1 . 1 76 76 LYS HD2 H 1 1.665 0.000 . . . . . . A 415 LYS HD2 . 34475 1 943 . 1 . 1 76 76 LYS HD3 H 1 1.408 0.000 . . . . . . A 415 LYS HD3 . 34475 1 944 . 1 . 1 76 76 LYS HE2 H 1 3.020 0.000 . . . . . . A 415 LYS HE2 . 34475 1 945 . 1 . 1 76 76 LYS HE3 H 1 2.890 0.000 . . . . . . A 415 LYS HE3 . 34475 1 946 . 1 . 1 76 76 LYS C C 13 179.686 0.000 . . . . . . A 415 LYS C . 34475 1 947 . 1 . 1 76 76 LYS CA C 13 60.342 0.039 . . . . . . A 415 LYS CA . 34475 1 948 . 1 . 1 76 76 LYS CB C 13 34.157 0.063 . . . . . . A 415 LYS CB . 34475 1 949 . 1 . 1 76 76 LYS CG C 13 27.179 0.062 . . . . . . A 415 LYS CG . 34475 1 950 . 1 . 1 76 76 LYS CD C 13 29.394 0.054 . . . . . . A 415 LYS CD . 34475 1 951 . 1 . 1 76 76 LYS CE C 13 42.153 0.033 . . . . . . A 415 LYS CE . 34475 1 952 . 1 . 1 76 76 LYS N N 15 119.853 0.010 . . . . . . A 415 LYS N . 34475 1 953 . 1 . 1 77 77 SER H H 1 8.755 0.002 . . . . . . A 416 SER H . 34475 1 954 . 1 . 1 77 77 SER HA H 1 4.288 0.000 . . . . . . A 416 SER HA . 34475 1 955 . 1 . 1 77 77 SER HB2 H 1 3.960 0.000 . . . . . . A 416 SER HB2 . 34475 1 956 . 1 . 1 77 77 SER HB3 H 1 3.810 0.000 . . . . . . A 416 SER HB3 . 34475 1 957 . 1 . 1 77 77 SER C C 13 176.556 0.000 . . . . . . A 416 SER C . 34475 1 958 . 1 . 1 77 77 SER CA C 13 63.288 0.000 . . . . . . A 416 SER CA . 34475 1 959 . 1 . 1 77 77 SER N N 15 114.164 0.022 . . . . . . A 416 SER N . 34475 1 960 . 1 . 1 78 78 THR H H 1 8.004 0.003 . . . . . . A 417 THR H . 34475 1 961 . 1 . 1 78 78 THR HA H 1 4.447 0.000 . . . . . . A 417 THR HA . 34475 1 962 . 1 . 1 78 78 THR HB H 1 3.843 0.000 . . . . . . A 417 THR HB . 34475 1 963 . 1 . 1 78 78 THR HG1 H 1 5.617 0.000 . . . . . . A 417 THR HG1 . 34475 1 964 . 1 . 1 78 78 THR HG21 H 1 1.340 0.000 . . . . . . A 417 THR HG21 . 34475 1 965 . 1 . 1 78 78 THR HG22 H 1 1.340 0.000 . . . . . . A 417 THR HG22 . 34475 1 966 . 1 . 1 78 78 THR HG23 H 1 1.340 0.000 . . . . . . A 417 THR HG23 . 34475 1 967 . 1 . 1 78 78 THR C C 13 175.542 0.000 . . . . . . A 417 THR C . 34475 1 968 . 1 . 1 78 78 THR CA C 13 68.200 0.015 . . . . . . A 417 THR CA . 34475 1 969 . 1 . 1 78 78 THR CB C 13 68.734 0.076 . . . . . . A 417 THR CB . 34475 1 970 . 1 . 1 78 78 THR CG2 C 13 21.188 0.014 . . . . . . A 417 THR CG2 . 34475 1 971 . 1 . 1 78 78 THR N N 15 121.021 0.005 . . . . . . A 417 THR N . 34475 1 972 . 1 . 1 79 79 MET H H 1 7.828 0.004 . . . . . . A 418 MET H . 34475 1 973 . 1 . 1 79 79 MET HA H 1 4.201 0.000 . . . . . . A 418 MET HA . 34475 1 974 . 1 . 1 79 79 MET HB2 H 1 2.295 0.000 . . . . . . A 418 MET HB2 . 34475 1 975 . 1 . 1 79 79 MET HB3 H 1 2.295 0.000 . . . . . . A 418 MET HB3 . 34475 1 976 . 1 . 1 79 79 MET HG2 H 1 2.830 0.000 . . . . . . A 418 MET HG2 . 34475 1 977 . 1 . 1 79 79 MET HG3 H 1 2.618 0.000 . . . . . . A 418 MET HG3 . 34475 1 978 . 1 . 1 79 79 MET HE1 H 1 2.142 0.000 . . . . . . A 418 MET HE1 . 34475 1 979 . 1 . 1 79 79 MET HE2 H 1 2.142 0.000 . . . . . . A 418 MET HE2 . 34475 1 980 . 1 . 1 79 79 MET HE3 H 1 2.142 0.000 . . . . . . A 418 MET HE3 . 34475 1 981 . 1 . 1 79 79 MET C C 13 179.637 0.002 . . . . . . A 418 MET C . 34475 1 982 . 1 . 1 79 79 MET CA C 13 59.385 0.037 . . . . . . A 418 MET CA . 34475 1 983 . 1 . 1 79 79 MET CB C 13 31.875 0.211 . . . . . . A 418 MET CB . 34475 1 984 . 1 . 1 79 79 MET CG C 13 32.059 0.022 . . . . . . A 418 MET CG . 34475 1 985 . 1 . 1 79 79 MET CE C 13 17.192 0.000 . . . . . . A 418 MET CE . 34475 1 986 . 1 . 1 79 79 MET N N 15 120.926 0.024 . . . . . . A 418 MET N . 34475 1 987 . 1 . 1 80 80 LEU H H 1 8.102 0.003 . . . . . . A 419 LEU H . 34475 1 988 . 1 . 1 80 80 LEU HA H 1 3.986 0.000 . . . . . . A 419 LEU HA . 34475 1 989 . 1 . 1 80 80 LEU HB2 H 1 1.997 0.000 . . . . . . A 419 LEU HB2 . 34475 1 990 . 1 . 1 80 80 LEU HB3 H 1 1.389 0.000 . . . . . . A 419 LEU HB3 . 34475 1 991 . 1 . 1 80 80 LEU HG H 1 1.944 0.000 . . . . . . A 419 LEU HG . 34475 1 992 . 1 . 1 80 80 LEU HD11 H 1 0.852 0.000 . . . . . . A 419 LEU HD11 . 34475 1 993 . 1 . 1 80 80 LEU HD12 H 1 0.852 0.000 . . . . . . A 419 LEU HD12 . 34475 1 994 . 1 . 1 80 80 LEU HD13 H 1 0.852 0.000 . . . . . . A 419 LEU HD13 . 34475 1 995 . 1 . 1 80 80 LEU HD21 H 1 1.030 0.000 . . . . . . A 419 LEU HD21 . 34475 1 996 . 1 . 1 80 80 LEU HD22 H 1 1.030 0.000 . . . . . . A 419 LEU HD22 . 34475 1 997 . 1 . 1 80 80 LEU HD23 H 1 1.030 0.000 . . . . . . A 419 LEU HD23 . 34475 1 998 . 1 . 1 80 80 LEU C C 13 177.701 0.000 . . . . . . A 419 LEU C . 34475 1 999 . 1 . 1 80 80 LEU CA C 13 57.808 0.046 . . . . . . A 419 LEU CA . 34475 1 1000 . 1 . 1 80 80 LEU CB C 13 43.599 0.086 . . . . . . A 419 LEU CB . 34475 1 1001 . 1 . 1 80 80 LEU CG C 13 27.337 0.000 . . . . . . A 419 LEU CG . 34475 1 1002 . 1 . 1 80 80 LEU CD1 C 13 23.219 0.000 . . . . . . A 419 LEU CD1 . 34475 1 1003 . 1 . 1 80 80 LEU CD2 C 13 27.066 0.000 . . . . . . A 419 LEU CD2 . 34475 1 1004 . 1 . 1 80 80 LEU N N 15 120.473 0.011 . . . . . . A 419 LEU N . 34475 1 1005 . 1 . 1 81 81 TYR H H 1 9.117 0.001 . . . . . . A 420 TYR H . 34475 1 1006 . 1 . 1 81 81 TYR HA H 1 4.066 0.000 . . . . . . A 420 TYR HA . 34475 1 1007 . 1 . 1 81 81 TYR HB2 H 1 3.048 0.000 . . . . . . A 420 TYR HB2 . 34475 1 1008 . 1 . 1 81 81 TYR HB3 H 1 3.048 0.000 . . . . . . A 420 TYR HB3 . 34475 1 1009 . 1 . 1 81 81 TYR HD1 H 1 7.161 0.004 . . . . . . A 420 TYR HD1 . 34475 1 1010 . 1 . 1 81 81 TYR HD2 H 1 7.161 0.004 . . . . . . A 420 TYR HD2 . 34475 1 1011 . 1 . 1 81 81 TYR HE1 H 1 6.776 0.000 . . . . . . A 420 TYR HE1 . 34475 1 1012 . 1 . 1 81 81 TYR HE2 H 1 6.776 0.000 . . . . . . A 420 TYR HE2 . 34475 1 1013 . 1 . 1 81 81 TYR C C 13 176.531 0.000 . . . . . . A 420 TYR C . 34475 1 1014 . 1 . 1 81 81 TYR CA C 13 62.790 0.055 . . . . . . A 420 TYR CA . 34475 1 1015 . 1 . 1 81 81 TYR CB C 13 38.273 0.061 . . . . . . A 420 TYR CB . 34475 1 1016 . 1 . 1 81 81 TYR CD1 C 13 133.101 0.000 . . . . . . A 420 TYR CD1 . 34475 1 1017 . 1 . 1 81 81 TYR CE1 C 13 118.151 0.000 . . . . . . A 420 TYR CE1 . 34475 1 1018 . 1 . 1 81 81 TYR N N 15 120.385 0.010 . . . . . . A 420 TYR N . 34475 1 1019 . 1 . 1 82 82 ASN H H 1 8.246 0.003 . . . . . . A 421 ASN H . 34475 1 1020 . 1 . 1 82 82 ASN HA H 1 4.137 0.000 . . . . . . A 421 ASN HA . 34475 1 1021 . 1 . 1 82 82 ASN HB2 H 1 2.917 0.000 . . . . . . A 421 ASN HB2 . 34475 1 1022 . 1 . 1 82 82 ASN HB3 H 1 2.733 0.000 . . . . . . A 421 ASN HB3 . 34475 1 1023 . 1 . 1 82 82 ASN HD21 H 1 7.592 0.000 . . . . . . A 421 ASN HD21 . 34475 1 1024 . 1 . 1 82 82 ASN HD22 H 1 7.018 0.000 . . . . . . A 421 ASN HD22 . 34475 1 1025 . 1 . 1 82 82 ASN C C 13 177.109 0.000 . . . . . . A 421 ASN C . 34475 1 1026 . 1 . 1 82 82 ASN CA C 13 55.980 0.032 . . . . . . A 421 ASN CA . 34475 1 1027 . 1 . 1 82 82 ASN CB C 13 37.634 0.109 . . . . . . A 421 ASN CB . 34475 1 1028 . 1 . 1 82 82 ASN N N 15 115.862 0.014 . . . . . . A 421 ASN N . 34475 1 1029 . 1 . 1 82 82 ASN ND2 N 15 111.944 0.036 . . . . . . A 421 ASN ND2 . 34475 1 1030 . 1 . 1 83 83 LYS H H 1 7.781 0.002 . . . . . . A 422 LYS H . 34475 1 1031 . 1 . 1 83 83 LYS HA H 1 3.925 0.001 . . . . . . A 422 LYS HA . 34475 1 1032 . 1 . 1 83 83 LYS HB2 H 1 1.730 0.000 . . . . . . A 422 LYS HB2 . 34475 1 1033 . 1 . 1 83 83 LYS HB3 H 1 1.787 0.000 . . . . . . A 422 LYS HB3 . 34475 1 1034 . 1 . 1 83 83 LYS HG2 H 1 1.338 0.000 . . . . . . A 422 LYS HG2 . 34475 1 1035 . 1 . 1 83 83 LYS HG3 H 1 0.865 0.001 . . . . . . A 422 LYS HG3 . 34475 1 1036 . 1 . 1 83 83 LYS HD2 H 1 1.521 0.000 . . . . . . A 422 LYS HD2 . 34475 1 1037 . 1 . 1 83 83 LYS HD3 H 1 1.338 0.000 . . . . . . A 422 LYS HD3 . 34475 1 1038 . 1 . 1 83 83 LYS HE2 H 1 2.768 0.001 . . . . . . A 422 LYS HE2 . 34475 1 1039 . 1 . 1 83 83 LYS HE3 H 1 2.768 0.001 . . . . . . A 422 LYS HE3 . 34475 1 1040 . 1 . 1 83 83 LYS C C 13 179.101 0.000 . . . . . . A 422 LYS C . 34475 1 1041 . 1 . 1 83 83 LYS CA C 13 59.555 0.051 . . . . . . A 422 LYS CA . 34475 1 1042 . 1 . 1 83 83 LYS CB C 13 32.439 0.100 . . . . . . A 422 LYS CB . 34475 1 1043 . 1 . 1 83 83 LYS CG C 13 24.945 0.002 . . . . . . A 422 LYS CG . 34475 1 1044 . 1 . 1 83 83 LYS CD C 13 29.980 0.009 . . . . . . A 422 LYS CD . 34475 1 1045 . 1 . 1 83 83 LYS CE C 13 42.062 0.000 . . . . . . A 422 LYS CE . 34475 1 1046 . 1 . 1 83 83 LYS N N 15 120.482 0.013 . . . . . . A 422 LYS N . 34475 1 1047 . 1 . 1 84 84 PHE H H 1 7.988 0.004 . . . . . . A 423 PHE H . 34475 1 1048 . 1 . 1 84 84 PHE HA H 1 4.378 0.000 . . . . . . A 423 PHE HA . 34475 1 1049 . 1 . 1 84 84 PHE HB2 H 1 2.826 0.000 . . . . . . A 423 PHE HB2 . 34475 1 1050 . 1 . 1 84 84 PHE HB3 H 1 3.009 0.000 . . . . . . A 423 PHE HB3 . 34475 1 1051 . 1 . 1 84 84 PHE HD1 H 1 7.253 0.000 . . . . . . A 423 PHE HD1 . 34475 1 1052 . 1 . 1 84 84 PHE HD2 H 1 7.253 0.000 . . . . . . A 423 PHE HD2 . 34475 1 1053 . 1 . 1 84 84 PHE HE1 H 1 7.061 0.000 . . . . . . A 423 PHE HE1 . 34475 1 1054 . 1 . 1 84 84 PHE HE2 H 1 7.061 0.000 . . . . . . A 423 PHE HE2 . 34475 1 1055 . 1 . 1 84 84 PHE HZ H 1 7.103 0.000 . . . . . . A 423 PHE HZ . 34475 1 1056 . 1 . 1 84 84 PHE C C 13 177.724 0.000 . . . . . . A 423 PHE C . 34475 1 1057 . 1 . 1 84 84 PHE CA C 13 60.716 0.037 . . . . . . A 423 PHE CA . 34475 1 1058 . 1 . 1 84 84 PHE CB C 13 39.026 0.065 . . . . . . A 423 PHE CB . 34475 1 1059 . 1 . 1 84 84 PHE CD1 C 13 131.586 0.000 . . . . . . A 423 PHE CD1 . 34475 1 1060 . 1 . 1 84 84 PHE CE1 C 13 130.115 0.000 . . . . . . A 423 PHE CE1 . 34475 1 1061 . 1 . 1 84 84 PHE CZ C 13 128.914 0.000 . . . . . . A 423 PHE CZ . 34475 1 1062 . 1 . 1 84 84 PHE N N 15 117.019 0.025 . . . . . . A 423 PHE N . 34475 1 1063 . 1 . 1 85 85 LYS H H 1 8.667 0.003 . . . . . . A 424 LYS H . 34475 1 1064 . 1 . 1 85 85 LYS HA H 1 3.897 0.000 . . . . . . A 424 LYS HA . 34475 1 1065 . 1 . 1 85 85 LYS HB2 H 1 1.456 0.000 . . . . . . A 424 LYS HB2 . 34475 1 1066 . 1 . 1 85 85 LYS HB3 H 1 1.423 0.000 . . . . . . A 424 LYS HB3 . 34475 1 1067 . 1 . 1 85 85 LYS HG2 H 1 1.248 0.000 . . . . . . A 424 LYS HG2 . 34475 1 1068 . 1 . 1 85 85 LYS HG3 H 1 1.248 0.000 . . . . . . A 424 LYS HG3 . 34475 1 1069 . 1 . 1 85 85 LYS HD2 H 1 1.626 0.000 . . . . . . A 424 LYS HD2 . 34475 1 1070 . 1 . 1 85 85 LYS HD3 H 1 1.515 0.006 . . . . . . A 424 LYS HD3 . 34475 1 1071 . 1 . 1 85 85 LYS HE2 H 1 2.973 0.002 . . . . . . A 424 LYS HE2 . 34475 1 1072 . 1 . 1 85 85 LYS HE3 H 1 2.973 0.002 . . . . . . A 424 LYS HE3 . 34475 1 1073 . 1 . 1 85 85 LYS C C 13 178.785 0.000 . . . . . . A 424 LYS C . 34475 1 1074 . 1 . 1 85 85 LYS CA C 13 59.221 0.047 . . . . . . A 424 LYS CA . 34475 1 1075 . 1 . 1 85 85 LYS CB C 13 31.199 0.074 . . . . . . A 424 LYS CB . 34475 1 1076 . 1 . 1 85 85 LYS CG C 13 23.981 0.020 . . . . . . A 424 LYS CG . 34475 1 1077 . 1 . 1 85 85 LYS CD C 13 29.144 0.003 . . . . . . A 424 LYS CD . 34475 1 1078 . 1 . 1 85 85 LYS CE C 13 42.229 0.000 . . . . . . A 424 LYS CE . 34475 1 1079 . 1 . 1 85 85 LYS N N 15 119.834 0.012 . . . . . . A 424 LYS N . 34475 1 1080 . 1 . 1 86 86 ASN H H 1 7.935 0.002 . . . . . . A 425 ASN H . 34475 1 1081 . 1 . 1 86 86 ASN HA H 1 4.566 0.000 . . . . . . A 425 ASN HA . 34475 1 1082 . 1 . 1 86 86 ASN HB2 H 1 2.794 0.004 . . . . . . A 425 ASN HB2 . 34475 1 1083 . 1 . 1 86 86 ASN HB3 H 1 2.794 0.004 . . . . . . A 425 ASN HB3 . 34475 1 1084 . 1 . 1 86 86 ASN HD21 H 1 7.482 0.000 . . . . . . A 425 ASN HD21 . 34475 1 1085 . 1 . 1 86 86 ASN HD22 H 1 6.873 0.003 . . . . . . A 425 ASN HD22 . 34475 1 1086 . 1 . 1 86 86 ASN C C 13 176.813 0.000 . . . . . . A 425 ASN C . 34475 1 1087 . 1 . 1 86 86 ASN CA C 13 55.001 0.050 . . . . . . A 425 ASN CA . 34475 1 1088 . 1 . 1 86 86 ASN CB C 13 38.193 0.074 . . . . . . A 425 ASN CB . 34475 1 1089 . 1 . 1 86 86 ASN N N 15 116.019 0.019 . . . . . . A 425 ASN N . 34475 1 1090 . 1 . 1 86 86 ASN ND2 N 15 112.219 0.051 . . . . . . A 425 ASN ND2 . 34475 1 1091 . 1 . 1 87 87 MET H H 1 7.690 0.003 . . . . . . A 426 MET H . 34475 1 1092 . 1 . 1 87 87 MET HA H 1 4.135 0.000 . . . . . . A 426 MET HA . 34475 1 1093 . 1 . 1 87 87 MET HB2 H 1 2.024 0.000 . . . . . . A 426 MET HB2 . 34475 1 1094 . 1 . 1 87 87 MET HB3 H 1 1.826 0.000 . . . . . . A 426 MET HB3 . 34475 1 1095 . 1 . 1 87 87 MET HG2 H 1 2.618 0.000 . . . . . . A 426 MET HG2 . 34475 1 1096 . 1 . 1 87 87 MET HG3 H 1 2.392 0.000 . . . . . . A 426 MET HG3 . 34475 1 1097 . 1 . 1 87 87 MET HE1 H 1 1.869 0.000 . . . . . . A 426 MET HE1 . 34475 1 1098 . 1 . 1 87 87 MET HE2 H 1 1.869 0.000 . . . . . . A 426 MET HE2 . 34475 1 1099 . 1 . 1 87 87 MET HE3 H 1 1.869 0.000 . . . . . . A 426 MET HE3 . 34475 1 1100 . 1 . 1 87 87 MET C C 13 176.457 0.000 . . . . . . A 426 MET C . 34475 1 1101 . 1 . 1 87 87 MET CA C 13 58.151 0.029 . . . . . . A 426 MET CA . 34475 1 1102 . 1 . 1 87 87 MET CB C 13 33.098 0.002 . . . . . . A 426 MET CB . 34475 1 1103 . 1 . 1 87 87 MET CG C 13 32.119 0.032 . . . . . . A 426 MET CG . 34475 1 1104 . 1 . 1 87 87 MET CE C 13 17.144 0.000 . . . . . . A 426 MET CE . 34475 1 1105 . 1 . 1 87 87 MET N N 15 118.383 0.005 . . . . . . A 426 MET N . 34475 1 1106 . 1 . 1 88 88 PHE H H 1 7.555 0.004 . . . . . . A 427 PHE H . 34475 1 1107 . 1 . 1 88 88 PHE HA H 1 4.601 0.000 . . . . . . A 427 PHE HA . 34475 1 1108 . 1 . 1 88 88 PHE HB2 H 1 2.989 0.000 . . . . . . A 427 PHE HB2 . 34475 1 1109 . 1 . 1 88 88 PHE HB3 H 1 3.310 0.000 . . . . . . A 427 PHE HB3 . 34475 1 1110 . 1 . 1 88 88 PHE HD1 H 1 7.339 0.007 . . . . . . A 427 PHE HD1 . 34475 1 1111 . 1 . 1 88 88 PHE HD2 H 1 7.339 0.007 . . . . . . A 427 PHE HD2 . 34475 1 1112 . 1 . 1 88 88 PHE HE1 H 1 7.219 0.000 . . . . . . A 427 PHE HE1 . 34475 1 1113 . 1 . 1 88 88 PHE HZ H 1 7.066 0.000 . . . . . . A 427 PHE HZ . 34475 1 1114 . 1 . 1 88 88 PHE C C 13 175.845 0.000 . . . . . . A 427 PHE C . 34475 1 1115 . 1 . 1 88 88 PHE CA C 13 58.011 0.034 . . . . . . A 427 PHE CA . 34475 1 1116 . 1 . 1 88 88 PHE CB C 13 39.257 0.006 . . . . . . A 427 PHE CB . 34475 1 1117 . 1 . 1 88 88 PHE CD1 C 13 131.725 0.000 . . . . . . A 427 PHE CD1 . 34475 1 1118 . 1 . 1 88 88 PHE CE1 C 13 131.083 0.000 . . . . . . A 427 PHE CE1 . 34475 1 1119 . 1 . 1 88 88 PHE CZ C 13 129.228 0.000 . . . . . . A 427 PHE CZ . 34475 1 1120 . 1 . 1 88 88 PHE N N 15 115.788 0.015 . . . . . . A 427 PHE N . 34475 1 1121 . 1 . 1 89 89 LEU H H 1 7.799 0.003 . . . . . . A 428 LEU H . 34475 1 1122 . 1 . 1 89 89 LEU HA H 1 4.393 0.000 . . . . . . A 428 LEU HA . 34475 1 1123 . 1 . 1 89 89 LEU HB2 H 1 1.754 0.000 . . . . . . A 428 LEU HB2 . 34475 1 1124 . 1 . 1 89 89 LEU HB3 H 1 1.617 0.000 . . . . . . A 428 LEU HB3 . 34475 1 1125 . 1 . 1 89 89 LEU HG H 1 1.681 0.000 . . . . . . A 428 LEU HG . 34475 1 1126 . 1 . 1 89 89 LEU HD11 H 1 0.936 0.000 . . . . . . A 428 LEU HD11 . 34475 1 1127 . 1 . 1 89 89 LEU HD12 H 1 0.936 0.000 . . . . . . A 428 LEU HD12 . 34475 1 1128 . 1 . 1 89 89 LEU HD13 H 1 0.936 0.000 . . . . . . A 428 LEU HD13 . 34475 1 1129 . 1 . 1 89 89 LEU HD21 H 1 0.894 0.000 . . . . . . A 428 LEU HD21 . 34475 1 1130 . 1 . 1 89 89 LEU HD22 H 1 0.894 0.000 . . . . . . A 428 LEU HD22 . 34475 1 1131 . 1 . 1 89 89 LEU HD23 H 1 0.894 0.000 . . . . . . A 428 LEU HD23 . 34475 1 1132 . 1 . 1 89 89 LEU C C 13 177.464 0.000 . . . . . . A 428 LEU C . 34475 1 1133 . 1 . 1 89 89 LEU CA C 13 55.727 0.004 . . . . . . A 428 LEU CA . 34475 1 1134 . 1 . 1 89 89 LEU CB C 13 42.201 0.001 . . . . . . A 428 LEU CB . 34475 1 1135 . 1 . 1 89 89 LEU CG C 13 26.882 0.008 . . . . . . A 428 LEU CG . 34475 1 1136 . 1 . 1 89 89 LEU CD1 C 13 25.152 0.087 . . . . . . A 428 LEU CD1 . 34475 1 1137 . 1 . 1 89 89 LEU CD2 C 13 23.466 0.018 . . . . . . A 428 LEU CD2 . 34475 1 1138 . 1 . 1 89 89 LEU N N 15 120.910 0.009 . . . . . . A 428 LEU N . 34475 1 1139 . 1 . 1 90 90 VAL H H 1 7.961 0.002 . . . . . . A 429 VAL H . 34475 1 1140 . 1 . 1 90 90 VAL HA H 1 4.129 0.000 . . . . . . A 429 VAL HA . 34475 1 1141 . 1 . 1 90 90 VAL HB H 1 2.124 0.000 . . . . . . A 429 VAL HB . 34475 1 1142 . 1 . 1 90 90 VAL HG11 H 1 0.975 0.000 . . . . . . A 429 VAL HG11 . 34475 1 1143 . 1 . 1 90 90 VAL HG12 H 1 0.975 0.000 . . . . . . A 429 VAL HG12 . 34475 1 1144 . 1 . 1 90 90 VAL HG13 H 1 0.975 0.000 . . . . . . A 429 VAL HG13 . 34475 1 1145 . 1 . 1 90 90 VAL HG21 H 1 0.975 0.000 . . . . . . A 429 VAL HG21 . 34475 1 1146 . 1 . 1 90 90 VAL HG22 H 1 0.975 0.000 . . . . . . A 429 VAL HG22 . 34475 1 1147 . 1 . 1 90 90 VAL HG23 H 1 0.975 0.000 . . . . . . A 429 VAL HG23 . 34475 1 1148 . 1 . 1 90 90 VAL C C 13 176.856 0.000 . . . . . . A 429 VAL C . 34475 1 1149 . 1 . 1 90 90 VAL CA C 13 62.736 0.004 . . . . . . A 429 VAL CA . 34475 1 1150 . 1 . 1 90 90 VAL CB C 13 32.735 0.001 . . . . . . A 429 VAL CB . 34475 1 1151 . 1 . 1 90 90 VAL CG1 C 13 20.973 0.164 . . . . . . A 429 VAL CG1 . 34475 1 1152 . 1 . 1 90 90 VAL N N 15 119.305 0.036 . . . . . . A 429 VAL N . 34475 1 1153 . 1 . 1 91 91 GLY H H 1 8.377 0.003 . . . . . . A 430 GLY H . 34475 1 1154 . 1 . 1 91 91 GLY HA2 H 1 4.020 0.000 . . . . . . A 430 GLY HA2 . 34475 1 1155 . 1 . 1 91 91 GLY HA3 H 1 3.973 0.000 . . . . . . A 430 GLY HA3 . 34475 1 1156 . 1 . 1 91 91 GLY C C 13 174.148 0.000 . . . . . . A 430 GLY C . 34475 1 1157 . 1 . 1 91 91 GLY CA C 13 45.338 0.002 . . . . . . A 430 GLY CA . 34475 1 1158 . 1 . 1 91 91 GLY N N 15 111.818 0.018 . . . . . . A 430 GLY N . 34475 1 1159 . 1 . 1 92 92 GLU H H 1 8.320 0.002 . . . . . . A 431 GLU H . 34475 1 1160 . 1 . 1 92 92 GLU HA H 1 4.330 0.003 . . . . . . A 431 GLU HA . 34475 1 1161 . 1 . 1 92 92 GLU HB2 H 1 2.109 0.005 . . . . . . A 431 GLU HB2 . 34475 1 1162 . 1 . 1 92 92 GLU HB3 H 1 1.964 0.002 . . . . . . A 431 GLU HB3 . 34475 1 1163 . 1 . 1 92 92 GLU HG2 H 1 2.297 0.000 . . . . . . A 431 GLU HG2 . 34475 1 1164 . 1 . 1 92 92 GLU HG3 H 1 2.255 0.000 . . . . . . A 431 GLU HG3 . 34475 1 1165 . 1 . 1 92 92 GLU C C 13 177.159 0.000 . . . . . . A 431 GLU C . 34475 1 1166 . 1 . 1 92 92 GLU CA C 13 56.784 0.001 . . . . . . A 431 GLU CA . 34475 1 1167 . 1 . 1 92 92 GLU CB C 13 30.487 0.035 . . . . . . A 431 GLU CB . 34475 1 1168 . 1 . 1 92 92 GLU CG C 13 36.365 0.020 . . . . . . A 431 GLU CG . 34475 1 1169 . 1 . 1 92 92 GLU N N 15 120.558 0.002 . . . . . . A 431 GLU N . 34475 1 1170 . 1 . 1 93 93 GLY H H 1 8.471 0.001 . . . . . . A 432 GLY H . 34475 1 1171 . 1 . 1 93 93 GLY HA2 H 1 4.266 0.000 . . . . . . A 432 GLY HA2 . 34475 1 1172 . 1 . 1 93 93 GLY HA3 H 1 3.975 0.000 . . . . . . A 432 GLY HA3 . 34475 1 1173 . 1 . 1 93 93 GLY C C 13 174.073 0.003 . . . . . . A 432 GLY C . 34475 1 1174 . 1 . 1 93 93 GLY CA C 13 45.473 0.043 . . . . . . A 432 GLY CA . 34475 1 1175 . 1 . 1 93 93 GLY N N 15 109.824 0.011 . . . . . . A 432 GLY N . 34475 1 1176 . 1 . 1 94 94 ASP H H 1 8.252 0.001 . . . . . . A 433 ASP H . 34475 1 1177 . 1 . 1 94 94 ASP HA H 1 4.646 0.000 . . . . . . A 433 ASP HA . 34475 1 1178 . 1 . 1 94 94 ASP HB2 H 1 2.689 0.000 . . . . . . A 433 ASP HB2 . 34475 1 1179 . 1 . 1 94 94 ASP HB3 H 1 2.662 0.000 . . . . . . A 433 ASP HB3 . 34475 1 1180 . 1 . 1 94 94 ASP C C 13 176.520 0.001 . . . . . . A 433 ASP C . 34475 1 1181 . 1 . 1 94 94 ASP CA C 13 54.561 0.006 . . . . . . A 433 ASP CA . 34475 1 1182 . 1 . 1 94 94 ASP CB C 13 41.377 0.004 . . . . . . A 433 ASP CB . 34475 1 1183 . 1 . 1 94 94 ASP N N 15 120.559 0.006 . . . . . . A 433 ASP N . 34475 1 1184 . 1 . 1 95 95 SER H H 1 8.271 0.001 . . . . . . A 434 SER H . 34475 1 1185 . 1 . 1 95 95 SER HA H 1 4.466 0.000 . . . . . . A 434 SER HA . 34475 1 1186 . 1 . 1 95 95 SER HB2 H 1 3.914 0.000 . . . . . . A 434 SER HB2 . 34475 1 1187 . 1 . 1 95 95 SER HB3 H 1 3.885 0.000 . . . . . . A 434 SER HB3 . 34475 1 1188 . 1 . 1 95 95 SER C C 13 174.704 0.000 . . . . . . A 434 SER C . 34475 1 1189 . 1 . 1 95 95 SER CA C 13 58.686 0.006 . . . . . . A 434 SER CA . 34475 1 1190 . 1 . 1 95 95 SER CB C 13 63.904 0.001 . . . . . . A 434 SER CB . 34475 1 1191 . 1 . 1 95 95 SER N N 15 115.947 0.009 . . . . . . A 434 SER N . 34475 1 1192 . 1 . 1 96 96 VAL H H 1 8.143 0.008 . . . . . . A 435 VAL H . 34475 1 1193 . 1 . 1 96 96 VAL HA H 1 4.103 0.000 . . . . . . A 435 VAL HA . 34475 1 1194 . 1 . 1 96 96 VAL HB H 1 2.097 0.000 . . . . . . A 435 VAL HB . 34475 1 1195 . 1 . 1 96 96 VAL HG11 H 1 0.917 0.000 . . . . . . A 435 VAL HG11 . 34475 1 1196 . 1 . 1 96 96 VAL HG12 H 1 0.917 0.000 . . . . . . A 435 VAL HG12 . 34475 1 1197 . 1 . 1 96 96 VAL HG13 H 1 0.917 0.000 . . . . . . A 435 VAL HG13 . 34475 1 1198 . 1 . 1 96 96 VAL HG21 H 1 0.951 0.000 . . . . . . A 435 VAL HG21 . 34475 1 1199 . 1 . 1 96 96 VAL HG22 H 1 0.951 0.000 . . . . . . A 435 VAL HG22 . 34475 1 1200 . 1 . 1 96 96 VAL HG23 H 1 0.951 0.000 . . . . . . A 435 VAL HG23 . 34475 1 1201 . 1 . 1 96 96 VAL C C 13 176.497 0.000 . . . . . . A 435 VAL C . 34475 1 1202 . 1 . 1 96 96 VAL CA C 13 63.046 0.015 . . . . . . A 435 VAL CA . 34475 1 1203 . 1 . 1 96 96 VAL CB C 13 32.481 0.003 . . . . . . A 435 VAL CB . 34475 1 1204 . 1 . 1 96 96 VAL CG1 C 13 21.117 0.065 . . . . . . A 435 VAL CG1 . 34475 1 1205 . 1 . 1 96 96 VAL CG2 C 13 20.878 0.000 . . . . . . A 435 VAL CG2 . 34475 1 1206 . 1 . 1 96 96 VAL N N 15 121.769 0.034 . . . . . . A 435 VAL N . 34475 1 1207 . 1 . 1 97 97 ILE H H 1 8.174 0.003 . . . . . . A 436 ILE H . 34475 1 1208 . 1 . 1 97 97 ILE HA H 1 4.181 0.002 . . . . . . A 436 ILE HA . 34475 1 1209 . 1 . 1 97 97 ILE HB H 1 1.886 0.000 . . . . . . A 436 ILE HB . 34475 1 1210 . 1 . 1 97 97 ILE HG12 H 1 1.485 0.000 . . . . . . A 436 ILE HG12 . 34475 1 1211 . 1 . 1 97 97 ILE HG13 H 1 1.226 0.000 . . . . . . A 436 ILE HG13 . 34475 1 1212 . 1 . 1 97 97 ILE HG21 H 1 0.906 0.000 . . . . . . A 436 ILE HG21 . 34475 1 1213 . 1 . 1 97 97 ILE HG22 H 1 0.906 0.000 . . . . . . A 436 ILE HG22 . 34475 1 1214 . 1 . 1 97 97 ILE HG23 H 1 0.906 0.000 . . . . . . A 436 ILE HG23 . 34475 1 1215 . 1 . 1 97 97 ILE HD11 H 1 0.850 0.000 . . . . . . A 436 ILE HD11 . 34475 1 1216 . 1 . 1 97 97 ILE HD12 H 1 0.850 0.000 . . . . . . A 436 ILE HD12 . 34475 1 1217 . 1 . 1 97 97 ILE HD13 H 1 0.850 0.000 . . . . . . A 436 ILE HD13 . 34475 1 1218 . 1 . 1 97 97 ILE C C 13 176.637 0.000 . . . . . . A 436 ILE C . 34475 1 1219 . 1 . 1 97 97 ILE CA C 13 61.563 0.005 . . . . . . A 436 ILE CA . 34475 1 1220 . 1 . 1 97 97 ILE CB C 13 38.393 0.004 . . . . . . A 436 ILE CB . 34475 1 1221 . 1 . 1 97 97 ILE CG1 C 13 27.583 0.017 . . . . . . A 436 ILE CG1 . 34475 1 1222 . 1 . 1 97 97 ILE CG2 C 13 17.619 0.044 . . . . . . A 436 ILE CG2 . 34475 1 1223 . 1 . 1 97 97 ILE CD1 C 13 12.817 0.020 . . . . . . A 436 ILE CD1 . 34475 1 1224 . 1 . 1 97 97 ILE N N 15 123.652 0.011 . . . . . . A 436 ILE N . 34475 1 1225 . 1 . 1 98 98 THR H H 1 8.107 0.002 . . . . . . A 437 THR H . 34475 1 1226 . 1 . 1 98 98 THR HA H 1 4.249 0.000 . . . . . . A 437 THR HA . 34475 1 1227 . 1 . 1 98 98 THR HB H 1 4.202 0.005 . . . . . . A 437 THR HB . 34475 1 1228 . 1 . 1 98 98 THR HG21 H 1 1.208 0.000 . . . . . . A 437 THR HG21 . 34475 1 1229 . 1 . 1 98 98 THR HG22 H 1 1.208 0.000 . . . . . . A 437 THR HG22 . 34475 1 1230 . 1 . 1 98 98 THR HG23 H 1 1.208 0.000 . . . . . . A 437 THR HG23 . 34475 1 1231 . 1 . 1 98 98 THR C C 13 174.625 0.000 . . . . . . A 437 THR C . 34475 1 1232 . 1 . 1 98 98 THR CA C 13 62.634 0.017 . . . . . . A 437 THR CA . 34475 1 1233 . 1 . 1 98 98 THR CB C 13 69.611 0.006 . . . . . . A 437 THR CB . 34475 1 1234 . 1 . 1 98 98 THR CG2 C 13 21.814 0.002 . . . . . . A 437 THR CG2 . 34475 1 1235 . 1 . 1 98 98 THR N N 15 117.977 0.012 . . . . . . A 437 THR N . 34475 1 1236 . 1 . 1 99 99 GLN H H 1 8.267 0.002 . . . . . . A 438 GLN H . 34475 1 1237 . 1 . 1 99 99 GLN HA H 1 4.342 0.000 . . . . . . A 438 GLN HA . 34475 1 1238 . 1 . 1 99 99 GLN HB2 H 1 2.097 0.000 . . . . . . A 438 GLN HB2 . 34475 1 1239 . 1 . 1 99 99 GLN HB3 H 1 2.015 0.000 . . . . . . A 438 GLN HB3 . 34475 1 1240 . 1 . 1 99 99 GLN HG2 H 1 2.405 0.000 . . . . . . A 438 GLN HG2 . 34475 1 1241 . 1 . 1 99 99 GLN HG3 H 1 2.405 0.000 . . . . . . A 438 GLN HG3 . 34475 1 1242 . 1 . 1 99 99 GLN C C 13 176.136 0.000 . . . . . . A 438 GLN C . 34475 1 1243 . 1 . 1 99 99 GLN CA C 13 56.375 0.018 . . . . . . A 438 GLN CA . 34475 1 1244 . 1 . 1 99 99 GLN CB C 13 29.436 0.001 . . . . . . A 438 GLN CB . 34475 1 1245 . 1 . 1 99 99 GLN CG C 13 33.884 0.046 . . . . . . A 438 GLN CG . 34475 1 1246 . 1 . 1 99 99 GLN N N 15 122.655 0.011 . . . . . . A 438 GLN N . 34475 1 1247 . 1 . 1 100 100 VAL H H 1 8.155 0.001 . . . . . . A 439 VAL H . 34475 1 1248 . 1 . 1 100 100 VAL HA H 1 4.023 0.004 . . . . . . A 439 VAL HA . 34475 1 1249 . 1 . 1 100 100 VAL HB H 1 2.070 0.000 . . . . . . A 439 VAL HB . 34475 1 1250 . 1 . 1 100 100 VAL HG11 H 1 0.924 0.000 . . . . . . A 439 VAL HG11 . 34475 1 1251 . 1 . 1 100 100 VAL HG12 H 1 0.924 0.000 . . . . . . A 439 VAL HG12 . 34475 1 1252 . 1 . 1 100 100 VAL HG13 H 1 0.924 0.000 . . . . . . A 439 VAL HG13 . 34475 1 1253 . 1 . 1 100 100 VAL HG21 H 1 0.955 0.000 . . . . . . A 439 VAL HG21 . 34475 1 1254 . 1 . 1 100 100 VAL HG22 H 1 0.955 0.000 . . . . . . A 439 VAL HG22 . 34475 1 1255 . 1 . 1 100 100 VAL HG23 H 1 0.955 0.000 . . . . . . A 439 VAL HG23 . 34475 1 1256 . 1 . 1 100 100 VAL C C 13 176.429 0.000 . . . . . . A 439 VAL C . 34475 1 1257 . 1 . 1 100 100 VAL CA C 13 63.099 0.000 . . . . . . A 439 VAL CA . 34475 1 1258 . 1 . 1 100 100 VAL CB C 13 32.492 0.000 . . . . . . A 439 VAL CB . 34475 1 1259 . 1 . 1 100 100 VAL CG1 C 13 21.156 0.066 . . . . . . A 439 VAL CG1 . 34475 1 1260 . 1 . 1 100 100 VAL CG2 C 13 20.955 0.000 . . . . . . A 439 VAL CG2 . 34475 1 1261 . 1 . 1 100 100 VAL N N 15 121.567 0.007 . . . . . . A 439 VAL N . 34475 1 1262 . 1 . 1 101 101 LEU H H 1 8.273 0.004 . . . . . . A 440 LEU H . 34475 1 1263 . 1 . 1 101 101 LEU HA H 1 4.333 0.004 . . . . . . A 440 LEU HA . 34475 1 1264 . 1 . 1 101 101 LEU HB2 H 1 1.655 0.000 . . . . . . A 440 LEU HB2 . 34475 1 1265 . 1 . 1 101 101 LEU HB3 H 1 1.575 0.000 . . . . . . A 440 LEU HB3 . 34475 1 1266 . 1 . 1 101 101 LEU HG H 1 1.627 0.000 . . . . . . A 440 LEU HG . 34475 1 1267 . 1 . 1 101 101 LEU HD11 H 1 0.910 0.000 . . . . . . A 440 LEU HD11 . 34475 1 1268 . 1 . 1 101 101 LEU HD12 H 1 0.910 0.000 . . . . . . A 440 LEU HD12 . 34475 1 1269 . 1 . 1 101 101 LEU HD13 H 1 0.910 0.000 . . . . . . A 440 LEU HD13 . 34475 1 1270 . 1 . 1 101 101 LEU HD21 H 1 0.859 0.000 . . . . . . A 440 LEU HD21 . 34475 1 1271 . 1 . 1 101 101 LEU HD22 H 1 0.859 0.000 . . . . . . A 440 LEU HD22 . 34475 1 1272 . 1 . 1 101 101 LEU HD23 H 1 0.859 0.000 . . . . . . A 440 LEU HD23 . 34475 1 1273 . 1 . 1 101 101 LEU C C 13 177.205 0.000 . . . . . . A 440 LEU C . 34475 1 1274 . 1 . 1 101 101 LEU CA C 13 55.581 0.001 . . . . . . A 440 LEU CA . 34475 1 1275 . 1 . 1 101 101 LEU CB C 13 42.349 0.002 . . . . . . A 440 LEU CB . 34475 1 1276 . 1 . 1 101 101 LEU CG C 13 27.038 0.061 . . . . . . A 440 LEU CG . 34475 1 1277 . 1 . 1 101 101 LEU CD1 C 13 24.933 0.000 . . . . . . A 440 LEU CD1 . 34475 1 1278 . 1 . 1 101 101 LEU CD2 C 13 23.626 0.000 . . . . . . A 440 LEU CD2 . 34475 1 1279 . 1 . 1 101 101 LEU N N 15 125.174 0.008 . . . . . . A 440 LEU N . 34475 1 1280 . 1 . 1 102 102 ASN H H 1 8.363 0.002 . . . . . . A 441 ASN H . 34475 1 1281 . 1 . 1 102 102 ASN HA H 1 4.657 0.000 . . . . . . A 441 ASN HA . 34475 1 1282 . 1 . 1 102 102 ASN HB2 H 1 2.830 0.000 . . . . . . A 441 ASN HB2 . 34475 1 1283 . 1 . 1 102 102 ASN HB3 H 1 2.807 0.000 . . . . . . A 441 ASN HB3 . 34475 1 1284 . 1 . 1 102 102 ASN C C 13 175.639 0.000 . . . . . . A 441 ASN C . 34475 1 1285 . 1 . 1 102 102 ASN CA C 13 53.552 0.015 . . . . . . A 441 ASN CA . 34475 1 1286 . 1 . 1 102 102 ASN CB C 13 38.701 0.008 . . . . . . A 441 ASN CB . 34475 1 1287 . 1 . 1 102 102 ASN N N 15 119.524 0.004 . . . . . . A 441 ASN N . 34475 1 1288 . 1 . 1 103 103 LYS H H 1 8.271 0.001 . . . . . . A 442 LYS H . 34475 1 1289 . 1 . 1 103 103 LYS HA H 1 4.279 0.000 . . . . . . A 442 LYS HA . 34475 1 1290 . 1 . 1 103 103 LYS HB2 H 1 1.873 0.000 . . . . . . A 442 LYS HB2 . 34475 1 1291 . 1 . 1 103 103 LYS HB3 H 1 1.796 0.000 . . . . . . A 442 LYS HB3 . 34475 1 1292 . 1 . 1 103 103 LYS HE2 H 1 3.014 0.000 . . . . . . A 442 LYS HE2 . 34475 1 1293 . 1 . 1 103 103 LYS HE3 H 1 3.014 0.000 . . . . . . A 442 LYS HE3 . 34475 1 1294 . 1 . 1 103 103 LYS C C 13 177.060 0.000 . . . . . . A 442 LYS C . 34475 1 1295 . 1 . 1 103 103 LYS CA C 13 57.202 0.045 . . . . . . A 442 LYS CA . 34475 1 1296 . 1 . 1 103 103 LYS CB C 13 33.030 0.008 . . . . . . A 442 LYS CB . 34475 1 1297 . 1 . 1 103 103 LYS CG C 13 24.818 0.000 . . . . . . A 442 LYS CG . 34475 1 1298 . 1 . 1 103 103 LYS CD C 13 29.202 0.000 . . . . . . A 442 LYS CD . 34475 1 1299 . 1 . 1 103 103 LYS CE C 13 42.330 0.000 . . . . . . A 442 LYS CE . 34475 1 1300 . 1 . 1 103 103 LYS N N 15 122.155 0.015 . . . . . . A 442 LYS N . 34475 1 1301 . 1 . 1 104 104 SER H H 1 8.383 0.001 . . . . . . A 443 SER H . 34475 1 1302 . 1 . 1 104 104 SER HA H 1 4.413 0.000 . . . . . . A 443 SER HA . 34475 1 1303 . 1 . 1 104 104 SER HB2 H 1 3.997 0.000 . . . . . . A 443 SER HB2 . 34475 1 1304 . 1 . 1 104 104 SER HB3 H 1 3.938 0.000 . . . . . . A 443 SER HB3 . 34475 1 1305 . 1 . 1 104 104 SER C C 13 175.361 0.000 . . . . . . A 443 SER C . 34475 1 1306 . 1 . 1 104 104 SER CA C 13 59.152 0.026 . . . . . . A 443 SER CA . 34475 1 1307 . 1 . 1 104 104 SER CB C 13 63.752 0.000 . . . . . . A 443 SER CB . 34475 1 1308 . 1 . 1 104 104 SER N N 15 116.704 0.022 . . . . . . A 443 SER N . 34475 1 1309 . 1 . 1 105 105 LEU H H 1 8.239 0.001 . . . . . . A 444 LEU H . 34475 1 1310 . 1 . 1 105 105 LEU HA H 1 4.257 0.000 . . . . . . A 444 LEU HA . 34475 1 1311 . 1 . 1 105 105 LEU HB2 H 1 1.693 0.000 . . . . . . A 444 LEU HB2 . 34475 1 1312 . 1 . 1 105 105 LEU HB3 H 1 1.611 0.000 . . . . . . A 444 LEU HB3 . 34475 1 1313 . 1 . 1 105 105 LEU HG H 1 1.675 0.000 . . . . . . A 444 LEU HG . 34475 1 1314 . 1 . 1 105 105 LEU HD11 H 1 0.952 0.000 . . . . . . A 444 LEU HD11 . 34475 1 1315 . 1 . 1 105 105 LEU HD12 H 1 0.952 0.000 . . . . . . A 444 LEU HD12 . 34475 1 1316 . 1 . 1 105 105 LEU HD13 H 1 0.952 0.000 . . . . . . A 444 LEU HD13 . 34475 1 1317 . 1 . 1 105 105 LEU HD21 H 1 0.894 0.000 . . . . . . A 444 LEU HD21 . 34475 1 1318 . 1 . 1 105 105 LEU HD22 H 1 0.894 0.000 . . . . . . A 444 LEU HD22 . 34475 1 1319 . 1 . 1 105 105 LEU HD23 H 1 0.894 0.000 . . . . . . A 444 LEU HD23 . 34475 1 1320 . 1 . 1 105 105 LEU C C 13 178.156 0.000 . . . . . . A 444 LEU C . 34475 1 1321 . 1 . 1 105 105 LEU CA C 13 56.365 0.027 . . . . . . A 444 LEU CA . 34475 1 1322 . 1 . 1 105 105 LEU CB C 13 41.980 0.005 . . . . . . A 444 LEU CB . 34475 1 1323 . 1 . 1 105 105 LEU CG C 13 27.068 0.033 . . . . . . A 444 LEU CG . 34475 1 1324 . 1 . 1 105 105 LEU CD1 C 13 24.913 0.072 . . . . . . A 444 LEU CD1 . 34475 1 1325 . 1 . 1 105 105 LEU CD2 C 13 23.510 0.024 . . . . . . A 444 LEU CD2 . 34475 1 1326 . 1 . 1 105 105 LEU N N 15 123.681 0.010 . . . . . . A 444 LEU N . 34475 1 1327 . 1 . 1 106 106 ALA H H 1 8.158 0.001 . . . . . . A 445 ALA H . 34475 1 1328 . 1 . 1 106 106 ALA HA H 1 4.190 0.000 . . . . . . A 445 ALA HA . 34475 1 1329 . 1 . 1 106 106 ALA HB1 H 1 1.423 0.003 . . . . . . A 445 ALA HB1 . 34475 1 1330 . 1 . 1 106 106 ALA HB2 H 1 1.423 0.003 . . . . . . A 445 ALA HB2 . 34475 1 1331 . 1 . 1 106 106 ALA HB3 H 1 1.423 0.003 . . . . . . A 445 ALA HB3 . 34475 1 1332 . 1 . 1 106 106 ALA C C 13 179.022 0.000 . . . . . . A 445 ALA C . 34475 1 1333 . 1 . 1 106 106 ALA CA C 13 53.846 0.002 . . . . . . A 445 ALA CA . 34475 1 1334 . 1 . 1 106 106 ALA CB C 13 18.757 0.001 . . . . . . A 445 ALA CB . 34475 1 1335 . 1 . 1 106 106 ALA N N 15 122.882 0.008 . . . . . . A 445 ALA N . 34475 1 1336 . 1 . 1 107 107 GLU H H 1 8.141 0.004 . . . . . . A 446 GLU H . 34475 1 1337 . 1 . 1 107 107 GLU HA H 1 4.173 0.005 . . . . . . A 446 GLU HA . 34475 1 1338 . 1 . 1 107 107 GLU HB2 H 1 2.055 0.000 . . . . . . A 446 GLU HB2 . 34475 1 1339 . 1 . 1 107 107 GLU HB3 H 1 2.055 0.000 . . . . . . A 446 GLU HB3 . 34475 1 1340 . 1 . 1 107 107 GLU HG2 H 1 2.328 0.000 . . . . . . A 446 GLU HG2 . 34475 1 1341 . 1 . 1 107 107 GLU HG3 H 1 2.254 0.000 . . . . . . A 446 GLU HG3 . 34475 1 1342 . 1 . 1 107 107 GLU C C 13 177.521 0.000 . . . . . . A 446 GLU C . 34475 1 1343 . 1 . 1 107 107 GLU CA C 13 57.663 0.000 . . . . . . A 446 GLU CA . 34475 1 1344 . 1 . 1 107 107 GLU CB C 13 30.091 0.019 . . . . . . A 446 GLU CB . 34475 1 1345 . 1 . 1 107 107 GLU CG C 13 36.617 0.008 . . . . . . A 446 GLU CG . 34475 1 1346 . 1 . 1 107 107 GLU N N 15 119.018 0.004 . . . . . . A 446 GLU N . 34475 1 1347 . 1 . 1 108 108 GLN H H 1 8.232 0.002 . . . . . . A 447 GLN H . 34475 1 1348 . 1 . 1 108 108 GLN HA H 1 4.247 0.001 . . . . . . A 447 GLN HA . 34475 1 1349 . 1 . 1 108 108 GLN HB2 H 1 2.161 0.010 . . . . . . A 447 GLN HB2 . 34475 1 1350 . 1 . 1 108 108 GLN HB3 H 1 2.090 0.003 . . . . . . A 447 GLN HB3 . 34475 1 1351 . 1 . 1 108 108 GLN HG2 H 1 2.441 0.000 . . . . . . A 447 GLN HG2 . 34475 1 1352 . 1 . 1 108 108 GLN HG3 H 1 2.379 0.000 . . . . . . A 447 GLN HG3 . 34475 1 1353 . 1 . 1 108 108 GLN C C 13 176.952 0.002 . . . . . . A 447 GLN C . 34475 1 1354 . 1 . 1 108 108 GLN CA C 13 57.020 0.036 . . . . . . A 447 GLN CA . 34475 1 1355 . 1 . 1 108 108 GLN CB C 13 29.040 0.035 . . . . . . A 447 GLN CB . 34475 1 1356 . 1 . 1 108 108 GLN CG C 13 33.917 0.020 . . . . . . A 447 GLN CG . 34475 1 1357 . 1 . 1 108 108 GLN N N 15 120.660 0.031 . . . . . . A 447 GLN N . 34475 1 1358 . 1 . 1 109 109 ARG H H 1 8.254 0.001 . . . . . . A 448 ARG H . 34475 1 1359 . 1 . 1 109 109 ARG HA H 1 4.291 0.000 . . . . . . A 448 ARG HA . 34475 1 1360 . 1 . 1 109 109 ARG HB2 H 1 1.882 0.000 . . . . . . A 448 ARG HB2 . 34475 1 1361 . 1 . 1 109 109 ARG HB3 H 1 1.830 0.000 . . . . . . A 448 ARG HB3 . 34475 1 1362 . 1 . 1 109 109 ARG HG2 H 1 1.701 0.000 . . . . . . A 448 ARG HG2 . 34475 1 1363 . 1 . 1 109 109 ARG HG3 H 1 1.643 0.000 . . . . . . A 448 ARG HG3 . 34475 1 1364 . 1 . 1 109 109 ARG HD2 H 1 3.216 0.000 . . . . . . A 448 ARG HD2 . 34475 1 1365 . 1 . 1 109 109 ARG HD3 H 1 3.216 0.000 . . . . . . A 448 ARG HD3 . 34475 1 1366 . 1 . 1 109 109 ARG C C 13 177.101 0.003 . . . . . . A 448 ARG C . 34475 1 1367 . 1 . 1 109 109 ARG CA C 13 57.114 0.044 . . . . . . A 448 ARG CA . 34475 1 1368 . 1 . 1 109 109 ARG CB C 13 30.497 0.033 . . . . . . A 448 ARG CB . 34475 1 1369 . 1 . 1 109 109 ARG CG C 13 27.280 0.011 . . . . . . A 448 ARG CG . 34475 1 1370 . 1 . 1 109 109 ARG CD C 13 43.416 0.016 . . . . . . A 448 ARG CD . 34475 1 1371 . 1 . 1 109 109 ARG N N 15 120.963 0.021 . . . . . . A 448 ARG N . 34475 1 1372 . 1 . 1 110 110 GLN H H 1 8.248 0.004 . . . . . . A 449 GLN H . 34475 1 1373 . 1 . 1 110 110 GLN HA H 1 4.247 0.000 . . . . . . A 449 GLN HA . 34475 1 1374 . 1 . 1 110 110 GLN HG2 H 1 2.444 0.000 . . . . . . A 449 GLN HG2 . 34475 1 1375 . 1 . 1 110 110 GLN HG3 H 1 2.393 0.000 . . . . . . A 449 GLN HG3 . 34475 1 1376 . 1 . 1 110 110 GLN C C 13 176.725 0.003 . . . . . . A 449 GLN C . 34475 1 1377 . 1 . 1 110 110 GLN CA C 13 57.016 0.050 . . . . . . A 449 GLN CA . 34475 1 1378 . 1 . 1 110 110 GLN CB C 13 29.007 0.000 . . . . . . A 449 GLN CB . 34475 1 1379 . 1 . 1 110 110 GLN CG C 13 33.870 0.030 . . . . . . A 449 GLN CG . 34475 1 1380 . 1 . 1 110 110 GLN N N 15 120.417 0.034 . . . . . . A 449 GLN N . 34475 1 1381 . 1 . 1 111 111 HIS H H 1 8.255 0.003 . . . . . . A 450 HIS H . 34475 1 1382 . 1 . 1 111 111 HIS HA H 1 4.546 0.000 . . . . . . A 450 HIS HA . 34475 1 1383 . 1 . 1 111 111 HIS HB2 H 1 3.194 0.000 . . . . . . A 450 HIS HB2 . 34475 1 1384 . 1 . 1 111 111 HIS HB3 H 1 3.129 0.000 . . . . . . A 450 HIS HB3 . 34475 1 1385 . 1 . 1 111 111 HIS C C 13 176.064 0.002 . . . . . . A 450 HIS C . 34475 1 1386 . 1 . 1 111 111 HIS CA C 13 57.169 0.030 . . . . . . A 450 HIS CA . 34475 1 1387 . 1 . 1 111 111 HIS CB C 13 30.407 0.000 . . . . . . A 450 HIS CB . 34475 1 1388 . 1 . 1 111 111 HIS N N 15 120.240 0.023 . . . . . . A 450 HIS N . 34475 1 1389 . 1 . 1 112 112 GLU H H 1 8.271 0.002 . . . . . . A 451 GLU H . 34475 1 1390 . 1 . 1 112 112 GLU HA H 1 4.211 0.000 . . . . . . A 451 GLU HA . 34475 1 1391 . 1 . 1 112 112 GLU HB2 H 1 2.057 0.000 . . . . . . A 451 GLU HB2 . 34475 1 1392 . 1 . 1 112 112 GLU HB3 H 1 2.016 0.000 . . . . . . A 451 GLU HB3 . 34475 1 1393 . 1 . 1 112 112 GLU HG2 H 1 2.296 0.000 . . . . . . A 451 GLU HG2 . 34475 1 1394 . 1 . 1 112 112 GLU HG3 H 1 2.296 0.000 . . . . . . A 451 GLU HG3 . 34475 1 1395 . 1 . 1 112 112 GLU C C 13 177.380 0.001 . . . . . . A 451 GLU C . 34475 1 1396 . 1 . 1 112 112 GLU CA C 13 57.359 0.017 . . . . . . A 451 GLU CA . 34475 1 1397 . 1 . 1 112 112 GLU CB C 13 30.080 0.000 . . . . . . A 451 GLU CB . 34475 1 1398 . 1 . 1 112 112 GLU CG C 13 36.320 0.000 . . . . . . A 451 GLU CG . 34475 1 1399 . 1 . 1 112 112 GLU N N 15 121.567 0.016 . . . . . . A 451 GLU N . 34475 1 1400 . 1 . 1 113 113 GLU H H 1 8.437 0.002 . . . . . . A 452 GLU H . 34475 1 1401 . 1 . 1 113 113 GLU HA H 1 4.190 0.000 . . . . . . A 452 GLU HA . 34475 1 1402 . 1 . 1 113 113 GLU HB2 H 1 2.073 0.000 . . . . . . A 452 GLU HB2 . 34475 1 1403 . 1 . 1 113 113 GLU HB3 H 1 1.998 0.000 . . . . . . A 452 GLU HB3 . 34475 1 1404 . 1 . 1 113 113 GLU HG2 H 1 2.305 0.005 . . . . . . A 452 GLU HG2 . 34475 1 1405 . 1 . 1 113 113 GLU HG3 H 1 2.305 0.005 . . . . . . A 452 GLU HG3 . 34475 1 1406 . 1 . 1 113 113 GLU C C 13 177.163 0.002 . . . . . . A 452 GLU C . 34475 1 1407 . 1 . 1 113 113 GLU CA C 13 57.356 0.011 . . . . . . A 452 GLU CA . 34475 1 1408 . 1 . 1 113 113 GLU CB C 13 30.041 0.030 . . . . . . A 452 GLU CB . 34475 1 1409 . 1 . 1 113 113 GLU CG C 13 36.371 0.055 . . . . . . A 452 GLU CG . 34475 1 1410 . 1 . 1 113 113 GLU N N 15 121.338 0.008 . . . . . . A 452 GLU N . 34475 1 1411 . 1 . 1 114 114 ALA H H 1 8.203 0.002 . . . . . . A 453 ALA H . 34475 1 1412 . 1 . 1 114 114 ALA HA H 1 4.248 0.000 . . . . . . A 453 ALA HA . 34475 1 1413 . 1 . 1 114 114 ALA HB1 H 1 1.418 0.000 . . . . . . A 453 ALA HB1 . 34475 1 1414 . 1 . 1 114 114 ALA HB2 H 1 1.418 0.000 . . . . . . A 453 ALA HB2 . 34475 1 1415 . 1 . 1 114 114 ALA HB3 H 1 1.418 0.000 . . . . . . A 453 ALA HB3 . 34475 1 1416 . 1 . 1 114 114 ALA C C 13 178.155 0.000 . . . . . . A 453 ALA C . 34475 1 1417 . 1 . 1 114 114 ALA CA C 13 53.322 0.035 . . . . . . A 453 ALA CA . 34475 1 1418 . 1 . 1 114 114 ALA CB C 13 18.930 0.004 . . . . . . A 453 ALA CB . 34475 1 1419 . 1 . 1 114 114 ALA N N 15 123.784 0.012 . . . . . . A 453 ALA N . 34475 1 1420 . 1 . 1 115 115 ASN H H 1 8.210 0.001 . . . . . . A 454 ASN H . 34475 1 1421 . 1 . 1 115 115 ASN HA H 1 4.655 0.000 . . . . . . A 454 ASN HA . 34475 1 1422 . 1 . 1 115 115 ASN HB2 H 1 2.855 0.000 . . . . . . A 454 ASN HB2 . 34475 1 1423 . 1 . 1 115 115 ASN HB3 H 1 2.759 0.000 . . . . . . A 454 ASN HB3 . 34475 1 1424 . 1 . 1 115 115 ASN C C 13 175.622 0.000 . . . . . . A 454 ASN C . 34475 1 1425 . 1 . 1 115 115 ASN CA C 13 53.631 0.034 . . . . . . A 454 ASN CA . 34475 1 1426 . 1 . 1 115 115 ASN CB C 13 38.732 0.006 . . . . . . A 454 ASN CB . 34475 1 1427 . 1 . 1 115 115 ASN N N 15 116.769 0.001 . . . . . . A 454 ASN N . 34475 1 1428 . 1 . 1 116 116 LYS H H 1 8.086 0.001 . . . . . . A 455 LYS H . 34475 1 1429 . 1 . 1 116 116 LYS HA H 1 4.346 0.000 . . . . . . A 455 LYS HA . 34475 1 1430 . 1 . 1 116 116 LYS HB2 H 1 1.907 0.000 . . . . . . A 455 LYS HB2 . 34475 1 1431 . 1 . 1 116 116 LYS HB3 H 1 1.825 0.000 . . . . . . A 455 LYS HB3 . 34475 1 1432 . 1 . 1 116 116 LYS C C 13 177.184 0.000 . . . . . . A 455 LYS C . 34475 1 1433 . 1 . 1 116 116 LYS CA C 13 57.053 0.002 . . . . . . A 455 LYS CA . 34475 1 1434 . 1 . 1 116 116 LYS CB C 13 32.912 0.003 . . . . . . A 455 LYS CB . 34475 1 1435 . 1 . 1 116 116 LYS CG C 13 24.826 0.000 . . . . . . A 455 LYS CG . 34475 1 1436 . 1 . 1 116 116 LYS CD C 13 29.151 0.000 . . . . . . A 455 LYS CD . 34475 1 1437 . 1 . 1 116 116 LYS N N 15 121.242 0.005 . . . . . . A 455 LYS N . 34475 1 1438 . 1 . 1 117 117 THR H H 1 8.095 0.002 . . . . . . A 456 THR H . 34475 1 1439 . 1 . 1 117 117 THR HA H 1 4.323 0.000 . . . . . . A 456 THR HA . 34475 1 1440 . 1 . 1 117 117 THR HB H 1 4.273 0.000 . . . . . . A 456 THR HB . 34475 1 1441 . 1 . 1 117 117 THR HG21 H 1 1.237 0.000 . . . . . . A 456 THR HG21 . 34475 1 1442 . 1 . 1 117 117 THR HG22 H 1 1.237 0.000 . . . . . . A 456 THR HG22 . 34475 1 1443 . 1 . 1 117 117 THR HG23 H 1 1.237 0.000 . . . . . . A 456 THR HG23 . 34475 1 1444 . 1 . 1 117 117 THR C C 13 174.937 0.000 . . . . . . A 456 THR C . 34475 1 1445 . 1 . 1 117 117 THR CA C 13 62.354 0.028 . . . . . . A 456 THR CA . 34475 1 1446 . 1 . 1 117 117 THR CB C 13 69.719 0.018 . . . . . . A 456 THR CB . 34475 1 1447 . 1 . 1 117 117 THR CG2 C 13 21.768 0.046 . . . . . . A 456 THR CG2 . 34475 1 1448 . 1 . 1 117 117 THR N N 15 114.347 0.009 . . . . . . A 456 THR N . 34475 1 1449 . 1 . 1 118 118 LYS H H 1 8.230 0.002 . . . . . . A 457 LYS H . 34475 1 1450 . 1 . 1 118 118 LYS HA H 1 4.298 0.000 . . . . . . A 457 LYS HA . 34475 1 1451 . 1 . 1 118 118 LYS HB2 H 1 1.846 0.000 . . . . . . A 457 LYS HB2 . 34475 1 1452 . 1 . 1 118 118 LYS HB3 H 1 1.805 0.000 . . . . . . A 457 LYS HB3 . 34475 1 1453 . 1 . 1 118 118 LYS C C 13 176.502 0.000 . . . . . . A 457 LYS C . 34475 1 1454 . 1 . 1 118 118 LYS CA C 13 56.819 0.024 . . . . . . A 457 LYS CA . 34475 1 1455 . 1 . 1 118 118 LYS CB C 13 32.898 0.000 . . . . . . A 457 LYS CB . 34475 1 1456 . 1 . 1 118 118 LYS CG C 13 24.674 0.000 . . . . . . A 457 LYS CG . 34475 1 1457 . 1 . 1 118 118 LYS CD C 13 29.181 0.000 . . . . . . A 457 LYS CD . 34475 1 1458 . 1 . 1 118 118 LYS N N 15 123.398 0.013 . . . . . . A 457 LYS N . 34475 1 1459 . 1 . 1 119 119 ASP H H 1 8.331 0.002 . . . . . . A 458 ASP H . 34475 1 1460 . 1 . 1 119 119 ASP HA H 1 4.586 0.000 . . . . . . A 458 ASP HA . 34475 1 1461 . 1 . 1 119 119 ASP HB2 H 1 2.737 0.000 . . . . . . A 458 ASP HB2 . 34475 1 1462 . 1 . 1 119 119 ASP HB3 H 1 2.644 0.000 . . . . . . A 458 ASP HB3 . 34475 1 1463 . 1 . 1 119 119 ASP C C 13 176.511 0.000 . . . . . . A 458 ASP C . 34475 1 1464 . 1 . 1 119 119 ASP CA C 13 54.602 0.071 . . . . . . A 458 ASP CA . 34475 1 1465 . 1 . 1 119 119 ASP CB C 13 41.143 0.034 . . . . . . A 458 ASP CB . 34475 1 1466 . 1 . 1 119 119 ASP N N 15 121.110 0.008 . . . . . . A 458 ASP N . 34475 1 1467 . 1 . 1 120 120 GLN H H 1 8.355 0.002 . . . . . . A 459 GLN H . 34475 1 1468 . 1 . 1 120 120 GLN HA H 1 4.299 0.009 . . . . . . A 459 GLN HA . 34475 1 1469 . 1 . 1 120 120 GLN HB2 H 1 2.192 0.000 . . . . . . A 459 GLN HB2 . 34475 1 1470 . 1 . 1 120 120 GLN HB3 H 1 2.010 0.000 . . . . . . A 459 GLN HB3 . 34475 1 1471 . 1 . 1 120 120 GLN HG2 H 1 2.399 0.000 . . . . . . A 459 GLN HG2 . 34475 1 1472 . 1 . 1 120 120 GLN HG3 H 1 2.399 0.000 . . . . . . A 459 GLN HG3 . 34475 1 1473 . 1 . 1 120 120 GLN C C 13 176.770 0.000 . . . . . . A 459 GLN C . 34475 1 1474 . 1 . 1 120 120 GLN CA C 13 56.373 0.012 . . . . . . A 459 GLN CA . 34475 1 1475 . 1 . 1 120 120 GLN CB C 13 29.218 0.008 . . . . . . A 459 GLN CB . 34475 1 1476 . 1 . 1 120 120 GLN CG C 13 33.918 0.012 . . . . . . A 459 GLN CG . 34475 1 1477 . 1 . 1 120 120 GLN N N 15 120.999 0.005 . . . . . . A 459 GLN N . 34475 1 1478 . 1 . 1 121 121 GLY H H 1 8.488 0.002 . . . . . . A 460 GLY H . 34475 1 1479 . 1 . 1 121 121 GLY HA2 H 1 3.950 0.000 . . . . . . A 460 GLY HA2 . 34475 1 1480 . 1 . 1 121 121 GLY HA3 H 1 3.950 0.000 . . . . . . A 460 GLY HA3 . 34475 1 1481 . 1 . 1 121 121 GLY C C 13 174.271 0.000 . . . . . . A 460 GLY C . 34475 1 1482 . 1 . 1 121 121 GLY CA C 13 45.516 0.000 . . . . . . A 460 GLY CA . 34475 1 1483 . 1 . 1 121 121 GLY N N 15 109.499 0.033 . . . . . . A 460 GLY N . 34475 1 1484 . 1 . 1 122 122 LYS H H 1 8.101 0.001 . . . . . . A 461 LYS H . 34475 1 1485 . 1 . 1 122 122 LYS HA H 1 4.332 0.000 . . . . . . A 461 LYS HA . 34475 1 1486 . 1 . 1 122 122 LYS HB2 H 1 1.858 0.000 . . . . . . A 461 LYS HB2 . 34475 1 1487 . 1 . 1 122 122 LYS HB3 H 1 1.760 0.000 . . . . . . A 461 LYS HB3 . 34475 1 1488 . 1 . 1 122 122 LYS C C 13 176.687 0.000 . . . . . . A 461 LYS C . 34475 1 1489 . 1 . 1 122 122 LYS CA C 13 56.315 0.045 . . . . . . A 461 LYS CA . 34475 1 1490 . 1 . 1 122 122 LYS CB C 13 32.955 0.073 . . . . . . A 461 LYS CB . 34475 1 1491 . 1 . 1 122 122 LYS CG C 13 24.755 0.000 . . . . . . A 461 LYS CG . 34475 1 1492 . 1 . 1 122 122 LYS CD C 13 29.109 0.000 . . . . . . A 461 LYS CD . 34475 1 1493 . 1 . 1 122 122 LYS N N 15 120.820 0.006 . . . . . . A 461 LYS N . 34475 1 1494 . 1 . 1 123 123 LYS H H 1 8.362 0.002 . . . . . . A 462 LYS H . 34475 1 1495 . 1 . 1 123 123 LYS HA H 1 4.389 0.006 . . . . . . A 462 LYS HA . 34475 1 1496 . 1 . 1 123 123 LYS HB2 H 1 1.877 0.000 . . . . . . A 462 LYS HB2 . 34475 1 1497 . 1 . 1 123 123 LYS HB3 H 1 1.779 0.000 . . . . . . A 462 LYS HB3 . 34475 1 1498 . 1 . 1 123 123 LYS HG2 H 1 1.458 0.000 . . . . . . A 462 LYS HG2 . 34475 1 1499 . 1 . 1 123 123 LYS HG3 H 1 1.458 0.000 . . . . . . A 462 LYS HG3 . 34475 1 1500 . 1 . 1 123 123 LYS C C 13 176.796 0.000 . . . . . . A 462 LYS C . 34475 1 1501 . 1 . 1 123 123 LYS CA C 13 56.266 0.051 . . . . . . A 462 LYS CA . 34475 1 1502 . 1 . 1 123 123 LYS CB C 13 33.276 0.049 . . . . . . A 462 LYS CB . 34475 1 1503 . 1 . 1 123 123 LYS CG C 13 24.722 0.002 . . . . . . A 462 LYS CG . 34475 1 1504 . 1 . 1 123 123 LYS CD C 13 29.010 0.000 . . . . . . A 462 LYS CD . 34475 1 1505 . 1 . 1 123 123 LYS N N 15 122.551 0.011 . . . . . . A 462 LYS N . 34475 1 1506 . 1 . 1 124 124 GLY H H 1 8.274 0.002 . . . . . . A 463 GLY H . 34475 1 1507 . 1 . 1 124 124 GLY HA2 H 1 4.080 0.000 . . . . . . A 463 GLY HA2 . 34475 1 1508 . 1 . 1 124 124 GLY HA3 H 1 4.171 0.000 . . . . . . A 463 GLY HA3 . 34475 1 1509 . 1 . 1 124 124 GLY C C 13 171.906 0.000 . . . . . . A 463 GLY C . 34475 1 1510 . 1 . 1 124 124 GLY CA C 13 44.643 0.045 . . . . . . A 463 GLY CA . 34475 1 1511 . 1 . 1 124 124 GLY N N 15 110.250 0.011 . . . . . . A 463 GLY N . 34475 1 1512 . 1 . 1 125 125 PRO HA H 1 4.440 0.000 . . . . . . A 464 PRO HA . 34475 1 1513 . 1 . 1 125 125 PRO HB2 H 1 2.284 0.000 . . . . . . A 464 PRO HB2 . 34475 1 1514 . 1 . 1 125 125 PRO HB3 H 1 1.936 0.000 . . . . . . A 464 PRO HB3 . 34475 1 1515 . 1 . 1 125 125 PRO HG2 H 1 2.052 0.000 . . . . . . A 464 PRO HG2 . 34475 1 1516 . 1 . 1 125 125 PRO HG3 H 1 2.008 0.000 . . . . . . A 464 PRO HG3 . 34475 1 1517 . 1 . 1 125 125 PRO HD2 H 1 3.657 0.000 . . . . . . A 464 PRO HD2 . 34475 1 1518 . 1 . 1 125 125 PRO HD3 H 1 3.657 0.000 . . . . . . A 464 PRO HD3 . 34475 1 1519 . 1 . 1 125 125 PRO C C 13 176.993 0.000 . . . . . . A 464 PRO C . 34475 1 1520 . 1 . 1 125 125 PRO CA C 13 63.300 0.042 . . . . . . A 464 PRO CA . 34475 1 1521 . 1 . 1 125 125 PRO CB C 13 32.146 0.108 . . . . . . A 464 PRO CB . 34475 1 1522 . 1 . 1 125 125 PRO CG C 13 27.128 0.016 . . . . . . A 464 PRO CG . 34475 1 1523 . 1 . 1 125 125 PRO CD C 13 49.830 0.000 . . . . . . A 464 PRO CD . 34475 1 1524 . 1 . 1 126 126 ASN H H 1 8.536 0.003 . . . . . . A 465 ASN H . 34475 1 1525 . 1 . 1 126 126 ASN HA H 1 4.676 0.000 . . . . . . A 465 ASN HA . 34475 1 1526 . 1 . 1 126 126 ASN HB2 H 1 2.850 0.000 . . . . . . A 465 ASN HB2 . 34475 1 1527 . 1 . 1 126 126 ASN HB3 H 1 2.758 0.000 . . . . . . A 465 ASN HB3 . 34475 1 1528 . 1 . 1 126 126 ASN C C 13 174.959 0.000 . . . . . . A 465 ASN C . 34475 1 1529 . 1 . 1 126 126 ASN CA C 13 53.375 0.035 . . . . . . A 465 ASN CA . 34475 1 1530 . 1 . 1 126 126 ASN CB C 13 38.681 0.000 . . . . . . A 465 ASN CB . 34475 1 1531 . 1 . 1 126 126 ASN N N 15 118.689 0.009 . . . . . . A 465 ASN N . 34475 1 1532 . 1 . 1 127 127 LYS H H 1 8.168 0.002 . . . . . . A 466 LYS H . 34475 1 1533 . 1 . 1 127 127 LYS HA H 1 4.340 0.007 . . . . . . A 466 LYS HA . 34475 1 1534 . 1 . 1 127 127 LYS HB2 H 1 1.746 0.000 . . . . . . A 466 LYS HB2 . 34475 1 1535 . 1 . 1 127 127 LYS HB3 H 1 1.862 0.000 . . . . . . A 466 LYS HB3 . 34475 1 1536 . 1 . 1 127 127 LYS HG2 H 1 1.456 0.000 . . . . . . A 466 LYS HG2 . 34475 1 1537 . 1 . 1 127 127 LYS HG3 H 1 1.456 0.000 . . . . . . A 466 LYS HG3 . 34475 1 1538 . 1 . 1 127 127 LYS HD2 H 1 1.698 0.000 . . . . . . A 466 LYS HD2 . 34475 1 1539 . 1 . 1 127 127 LYS HD3 H 1 1.698 0.000 . . . . . . A 466 LYS HD3 . 34475 1 1540 . 1 . 1 127 127 LYS C C 13 175.408 0.000 . . . . . . A 466 LYS C . 34475 1 1541 . 1 . 1 127 127 LYS CA C 13 56.303 0.048 . . . . . . A 466 LYS CA . 34475 1 1542 . 1 . 1 127 127 LYS CB C 13 33.101 0.071 . . . . . . A 466 LYS CB . 34475 1 1543 . 1 . 1 127 127 LYS CG C 13 24.696 0.102 . . . . . . A 466 LYS CG . 34475 1 1544 . 1 . 1 127 127 LYS CD C 13 29.092 0.054 . . . . . . A 466 LYS CD . 34475 1 1545 . 1 . 1 127 127 LYS CE C 13 42.227 0.000 . . . . . . A 466 LYS CE . 34475 1 1546 . 1 . 1 127 127 LYS N N 15 122.182 0.003 . . . . . . A 466 LYS N . 34475 1 1547 . 1 . 1 128 128 LYS H H 1 7.997 0.002 . . . . . . A 467 LYS H . 34475 1 1548 . 1 . 1 128 128 LYS HA H 1 4.159 0.002 . . . . . . A 467 LYS HA . 34475 1 1549 . 1 . 1 128 128 LYS HB2 H 1 1.827 0.000 . . . . . . A 467 LYS HB2 . 34475 1 1550 . 1 . 1 128 128 LYS HB3 H 1 1.729 0.000 . . . . . . A 467 LYS HB3 . 34475 1 1551 . 1 . 1 128 128 LYS HG2 H 1 1.416 0.000 . . . . . . A 467 LYS HG2 . 34475 1 1552 . 1 . 1 128 128 LYS HG3 H 1 1.416 0.000 . . . . . . A 467 LYS HG3 . 34475 1 1553 . 1 . 1 128 128 LYS HD2 H 1 1.699 0.000 . . . . . . A 467 LYS HD2 . 34475 1 1554 . 1 . 1 128 128 LYS HD3 H 1 1.699 0.000 . . . . . . A 467 LYS HD3 . 34475 1 1555 . 1 . 1 128 128 LYS C C 13 173.357 0.000 . . . . . . A 467 LYS C . 34475 1 1556 . 1 . 1 128 128 LYS CA C 13 57.844 0.040 . . . . . . A 467 LYS CA . 34475 1 1557 . 1 . 1 128 128 LYS CB C 13 33.734 0.040 . . . . . . A 467 LYS CB . 34475 1 1558 . 1 . 1 128 128 LYS CG C 13 24.876 0.024 . . . . . . A 467 LYS CG . 34475 1 1559 . 1 . 1 128 128 LYS CD C 13 29.184 0.031 . . . . . . A 467 LYS CD . 34475 1 1560 . 1 . 1 128 128 LYS CE C 13 42.283 0.031 . . . . . . A 467 LYS CE . 34475 1 1561 . 1 . 1 128 128 LYS N N 15 128.260 0.004 . . . . . . A 467 LYS N . 34475 1 stop_ save_