data_17518 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17518 _Entry.Title ; Solution Strucuture of CBM25-1 of beta/alpha-amylase from Paenibacillus polymyxa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-09 _Entry.Accession_date 2011-03-09 _Entry.Last_release_date 2011-04-04 _Entry.Original_release_date 2011-04-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Ippei Horibe . . . . 17518 2 Ryosuke Takahashi . . . . 17518 3 Takuya Yoshida . . . . 17518 4 Tadayasu Ohkubo . . . . 17518 5 Jun-ichi Sumitani . . . . 17518 6 Shigenori Nishimura . . . . 17518 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17518 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CBM25 . 17518 'Paenibacillus polymyxa' . 17518 SBD . 17518 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17518 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 420 17518 '15N chemical shifts' 112 17518 '1H chemical shifts' 599 17518 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 . . 2012-08-07 . original BMRB . 17518 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17519 'CBM25-2 of beta/alpha-amylase' 17518 PDB 2LAA 'BMRB Entry Tracking System' 17518 stop_ save_ ############### # Citations # ############### save_entry_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_1 _Citation.Entry_ID 17518 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; A functional and structural analysis of tundem family 25 carbohydrate-binding modules from Paenibacillus polymyxa beta/alpha-amylase ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ryosuke Takahashi . . . . 17518 1 2 Ippei Horibe . . . . 17518 1 3 Harumi Fukada . . . . 17518 1 4 Takuya Yoshida . . . . 17518 1 5 Tadayasu Ohkubo . . . . 17518 1 6 Takashi Inui . . . . 17518 1 7 Shigenori Nishimura . . . . 17518 1 8 Jun-ichi Sumitani . . . . 17518 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17518 _Assembly.ID 1 _Assembly.Name 'Starch Binding Domain 1 of beta/alpha-amylase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CBM25-1 of beta/alpha-amylase' 1 $entity A . yes native no no . . . 17518 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17518 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGTGNKVTIYYKKGFNSPYI HYRPAGGSWTAAPGVKMQDA EISGYAKITVDIGSASQLEA AFNDGNNNWDSNNTKNYSFS TGTSTYTPGNSGNAGTITSG APAG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10745.604 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 420 GLY . 17518 1 2 421 GLY . 17518 1 3 422 THR . 17518 1 4 423 GLY . 17518 1 5 424 ASN . 17518 1 6 425 LYS . 17518 1 7 426 VAL . 17518 1 8 427 THR . 17518 1 9 428 ILE . 17518 1 10 429 TYR . 17518 1 11 430 TYR . 17518 1 12 431 LYS . 17518 1 13 432 LYS . 17518 1 14 433 GLY . 17518 1 15 434 PHE . 17518 1 16 435 ASN . 17518 1 17 436 SER . 17518 1 18 437 PRO . 17518 1 19 438 TYR . 17518 1 20 439 ILE . 17518 1 21 440 HIS . 17518 1 22 441 TYR . 17518 1 23 442 ARG . 17518 1 24 443 PRO . 17518 1 25 444 ALA . 17518 1 26 445 GLY . 17518 1 27 446 GLY . 17518 1 28 447 SER . 17518 1 29 448 TRP . 17518 1 30 449 THR . 17518 1 31 450 ALA . 17518 1 32 451 ALA . 17518 1 33 452 PRO . 17518 1 34 453 GLY . 17518 1 35 454 VAL . 17518 1 36 455 LYS . 17518 1 37 456 MET . 17518 1 38 457 GLN . 17518 1 39 458 ASP . 17518 1 40 459 ALA . 17518 1 41 460 GLU . 17518 1 42 461 ILE . 17518 1 43 462 SER . 17518 1 44 463 GLY . 17518 1 45 464 TYR . 17518 1 46 465 ALA . 17518 1 47 466 LYS . 17518 1 48 467 ILE . 17518 1 49 468 THR . 17518 1 50 469 VAL . 17518 1 51 470 ASP . 17518 1 52 471 ILE . 17518 1 53 472 GLY . 17518 1 54 473 SER . 17518 1 55 474 ALA . 17518 1 56 475 SER . 17518 1 57 476 GLN . 17518 1 58 477 LEU . 17518 1 59 478 GLU . 17518 1 60 479 ALA . 17518 1 61 480 ALA . 17518 1 62 481 PHE . 17518 1 63 482 ASN . 17518 1 64 483 ASP . 17518 1 65 484 GLY . 17518 1 66 485 ASN . 17518 1 67 486 ASN . 17518 1 68 487 ASN . 17518 1 69 488 TRP . 17518 1 70 489 ASP . 17518 1 71 490 SER . 17518 1 72 491 ASN . 17518 1 73 492 ASN . 17518 1 74 493 THR . 17518 1 75 494 LYS . 17518 1 76 495 ASN . 17518 1 77 496 TYR . 17518 1 78 497 SER . 17518 1 79 498 PHE . 17518 1 80 499 SER . 17518 1 81 500 THR . 17518 1 82 501 GLY . 17518 1 83 502 THR . 17518 1 84 503 SER . 17518 1 85 504 THR . 17518 1 86 505 TYR . 17518 1 87 506 THR . 17518 1 88 507 PRO . 17518 1 89 508 GLY . 17518 1 90 509 ASN . 17518 1 91 510 SER . 17518 1 92 511 GLY . 17518 1 93 512 ASN . 17518 1 94 513 ALA . 17518 1 95 514 GLY . 17518 1 96 515 THR . 17518 1 97 516 ILE . 17518 1 98 517 THR . 17518 1 99 518 SER . 17518 1 100 519 GLY . 17518 1 101 520 ALA . 17518 1 102 521 PRO . 17518 1 103 522 ALA . 17518 1 104 523 GLY . 17518 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17518 1 . GLY 2 2 17518 1 . THR 3 3 17518 1 . GLY 4 4 17518 1 . ASN 5 5 17518 1 . LYS 6 6 17518 1 . VAL 7 7 17518 1 . THR 8 8 17518 1 . ILE 9 9 17518 1 . TYR 10 10 17518 1 . TYR 11 11 17518 1 . LYS 12 12 17518 1 . LYS 13 13 17518 1 . GLY 14 14 17518 1 . PHE 15 15 17518 1 . ASN 16 16 17518 1 . SER 17 17 17518 1 . PRO 18 18 17518 1 . TYR 19 19 17518 1 . ILE 20 20 17518 1 . HIS 21 21 17518 1 . TYR 22 22 17518 1 . ARG 23 23 17518 1 . PRO 24 24 17518 1 . ALA 25 25 17518 1 . GLY 26 26 17518 1 . GLY 27 27 17518 1 . SER 28 28 17518 1 . TRP 29 29 17518 1 . THR 30 30 17518 1 . ALA 31 31 17518 1 . ALA 32 32 17518 1 . PRO 33 33 17518 1 . GLY 34 34 17518 1 . VAL 35 35 17518 1 . LYS 36 36 17518 1 . MET 37 37 17518 1 . GLN 38 38 17518 1 . ASP 39 39 17518 1 . ALA 40 40 17518 1 . GLU 41 41 17518 1 . ILE 42 42 17518 1 . SER 43 43 17518 1 . GLY 44 44 17518 1 . TYR 45 45 17518 1 . ALA 46 46 17518 1 . LYS 47 47 17518 1 . ILE 48 48 17518 1 . THR 49 49 17518 1 . VAL 50 50 17518 1 . ASP 51 51 17518 1 . ILE 52 52 17518 1 . GLY 53 53 17518 1 . SER 54 54 17518 1 . ALA 55 55 17518 1 . SER 56 56 17518 1 . GLN 57 57 17518 1 . LEU 58 58 17518 1 . GLU 59 59 17518 1 . ALA 60 60 17518 1 . ALA 61 61 17518 1 . PHE 62 62 17518 1 . ASN 63 63 17518 1 . ASP 64 64 17518 1 . GLY 65 65 17518 1 . ASN 66 66 17518 1 . ASN 67 67 17518 1 . ASN 68 68 17518 1 . TRP 69 69 17518 1 . ASP 70 70 17518 1 . SER 71 71 17518 1 . ASN 72 72 17518 1 . ASN 73 73 17518 1 . THR 74 74 17518 1 . LYS 75 75 17518 1 . ASN 76 76 17518 1 . TYR 77 77 17518 1 . SER 78 78 17518 1 . PHE 79 79 17518 1 . SER 80 80 17518 1 . THR 81 81 17518 1 . GLY 82 82 17518 1 . THR 83 83 17518 1 . SER 84 84 17518 1 . THR 85 85 17518 1 . TYR 86 86 17518 1 . THR 87 87 17518 1 . PRO 88 88 17518 1 . GLY 89 89 17518 1 . ASN 90 90 17518 1 . SER 91 91 17518 1 . GLY 92 92 17518 1 . ASN 93 93 17518 1 . ALA 94 94 17518 1 . GLY 95 95 17518 1 . THR 96 96 17518 1 . ILE 97 97 17518 1 . THR 98 98 17518 1 . SER 99 99 17518 1 . GLY 100 100 17518 1 . ALA 101 101 17518 1 . PRO 102 102 17518 1 . ALA 103 103 17518 1 . GLY 104 104 17518 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 17518 _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 . 1406 organism . 'Bacillus polymyxa' 'Bacillus polymyxa' . . Bacteria . Bacillus polymyxa . . . . . . . . . . . . . 17518 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 17518 _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 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . 562 Escherichia coli . . . . . . pET16b . . . 17518 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17518 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' '[U-100% 15N]' . . . . . . 0.5-1.2 . . mM . . . . 17518 1 2 'sodium acetate' '[U-99% 13C; U-99% 15N]' . . . . . . 0.5-1.2 . . mM . . . . 17518 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17518 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium acetate' '[U-100% 15N]' . . . . . . 0.6 . . mM . . . . 17518 2 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 17518 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 17518 1 pH 5.5 . pH 17518 1 pressure 1 . atm 17518 1 temperature 303 . K 17518 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17518 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 17518 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17518 1 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 17518 _Software.ID 2 _Software.Name DYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 17518 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17518 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17518 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17518 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17518 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17518 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17518 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 17518 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 17518 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17518 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17518 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17518 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17518 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17518 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17518 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17518 1 8 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17518 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17518 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17518 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17518 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17518 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . 17518 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 internal direct 1 . . . . . 17518 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 internal indirect 0.251449530 . . . . . 17518 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17518 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17518 1 2 '3D CBCA(CO)NH' . . . 17518 1 3 '3D HNCACB' . . . 17518 1 5 '3D HCCH-TOCSY' . . . 17518 1 8 '2D 1H-13C HSQC aromatic' . . . 17518 1 9 '2D 1H-13C HSQC aliphatic' . . . 17518 1 10 '3D 1H-15N TOCSY' . . . 17518 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.832 0.002 . 2 . . . A 420 GLY HA2 . 17518 1 2 . 1 1 1 1 GLY C C 13 170.498 0 . 1 . . . A 420 GLY C . 17518 1 3 . 1 1 1 1 GLY CA C 13 43.252 0 . 1 . . . A 420 GLY CA . 17518 1 4 . 1 1 2 2 GLY HA2 H 1 4.017 0 . 2 . . . A 421 GLY HA2 . 17518 1 5 . 1 1 2 2 GLY C C 13 174.167 0.017 . 1 . . . A 421 GLY C . 17518 1 6 . 1 1 2 2 GLY CA C 13 45.259 0.1 . 1 . . . A 421 GLY CA . 17518 1 7 . 1 1 3 3 THR H H 1 8.099 0.01 . 1 . . . A 422 THR H . 17518 1 8 . 1 1 3 3 THR HA H 1 4.348 0.006 . 1 . . . A 422 THR HA . 17518 1 9 . 1 1 3 3 THR HB H 1 4.19 0.005 . 1 . . . A 422 THR HB . 17518 1 10 . 1 1 3 3 THR HG21 H 1 1.109 0.003 . 1 . . . A 422 THR HG21 . 17518 1 11 . 1 1 3 3 THR HG22 H 1 1.109 0.003 . 1 . . . A 422 THR HG22 . 17518 1 12 . 1 1 3 3 THR HG23 H 1 1.109 0.003 . 1 . . . A 422 THR HG23 . 17518 1 13 . 1 1 3 3 THR C C 13 174.773 0 . 1 . . . A 422 THR C . 17518 1 14 . 1 1 3 3 THR CA C 13 61.357 0.038 . 1 . . . A 422 THR CA . 17518 1 15 . 1 1 3 3 THR CB C 13 69.791 0.046 . 1 . . . A 422 THR CB . 17518 1 16 . 1 1 3 3 THR CG2 C 13 21.453 0.038 . 1 . . . A 422 THR CG2 . 17518 1 17 . 1 1 3 3 THR N N 15 113.38 0.026 . 1 . . . A 422 THR N . 17518 1 18 . 1 1 4 4 GLY H H 1 8.77 0.01 . 1 . . . A 423 GLY H . 17518 1 19 . 1 1 4 4 GLY HA2 H 1 3.965 0.007 . 2 . . . A 423 GLY HA2 . 17518 1 20 . 1 1 4 4 GLY C C 13 173.909 0 . 1 . . . A 423 GLY C . 17518 1 21 . 1 1 4 4 GLY CA C 13 45.058 0.021 . 1 . . . A 423 GLY CA . 17518 1 22 . 1 1 4 4 GLY N N 15 113.124 0.038 . 1 . . . A 423 GLY N . 17518 1 23 . 1 1 5 5 ASN H H 1 8.988 0.004 . 1 . . . A 424 ASN H . 17518 1 24 . 1 1 5 5 ASN HA H 1 4.574 0.011 . 1 . . . A 424 ASN HA . 17518 1 25 . 1 1 5 5 ASN HB2 H 1 2.801 0.006 . 1 . . . A 424 ASN HB2 . 17518 1 26 . 1 1 5 5 ASN HB3 H 1 2.561 0.003 . 1 . . . A 424 ASN HB3 . 17518 1 27 . 1 1 5 5 ASN HD21 H 1 7.53 0.004 . 1 . . . A 424 ASN HD21 . 17518 1 28 . 1 1 5 5 ASN HD22 H 1 6.746 0.002 . 1 . . . A 424 ASN HD22 . 17518 1 29 . 1 1 5 5 ASN C C 13 174.45 0 . 1 . . . A 424 ASN C . 17518 1 30 . 1 1 5 5 ASN CA C 13 53.237 0.031 . 1 . . . A 424 ASN CA . 17518 1 31 . 1 1 5 5 ASN CB C 13 38.52 0.029 . 1 . . . A 424 ASN CB . 17518 1 32 . 1 1 5 5 ASN CG C 13 176.771 0.026 . 1 . . . A 424 ASN CG . 17518 1 33 . 1 1 5 5 ASN N N 15 121.226 0.026 . 1 . . . A 424 ASN N . 17518 1 34 . 1 1 5 5 ASN ND2 N 15 113.818 0.152 . 1 . . . A 424 ASN ND2 . 17518 1 35 . 1 1 6 6 LYS H H 1 8.354 0.009 . 1 . . . A 425 LYS H . 17518 1 36 . 1 1 6 6 LYS HA H 1 5.129 0.006 . 1 . . . A 425 LYS HA . 17518 1 37 . 1 1 6 6 LYS HB2 H 1 1.66 0.009 . 1 . . . A 425 LYS HB2 . 17518 1 38 . 1 1 6 6 LYS HB3 H 1 1.365 0.007 . 1 . . . A 425 LYS HB3 . 17518 1 39 . 1 1 6 6 LYS HG2 H 1 1.332 0.003 . 1 . . . A 425 LYS HG2 . 17518 1 40 . 1 1 6 6 LYS HG3 H 1 1.246 0.003 . 1 . . . A 425 LYS HG3 . 17518 1 41 . 1 1 6 6 LYS HD2 H 1 1.424 0.004 . 1 . . . A 425 LYS HD2 . 17518 1 42 . 1 1 6 6 LYS HD3 H 1 1.333 0.003 . 1 . . . A 425 LYS HD3 . 17518 1 43 . 1 1 6 6 LYS HE2 H 1 2.855 0.003 . 2 . . . A 425 LYS HE2 . 17518 1 44 . 1 1 6 6 LYS C C 13 176.281 0 . 1 . . . A 425 LYS C . 17518 1 45 . 1 1 6 6 LYS CA C 13 54.394 0.024 . 1 . . . A 425 LYS CA . 17518 1 46 . 1 1 6 6 LYS CB C 13 35.448 0.021 . 1 . . . A 425 LYS CB . 17518 1 47 . 1 1 6 6 LYS CG C 13 25.114 0.027 . 1 . . . A 425 LYS CG . 17518 1 48 . 1 1 6 6 LYS CD C 13 28.821 0.029 . 1 . . . A 425 LYS CD . 17518 1 49 . 1 1 6 6 LYS CE C 13 42.281 0.007 . 1 . . . A 425 LYS CE . 17518 1 50 . 1 1 6 6 LYS N N 15 119.587 0.026 . 1 . . . A 425 LYS N . 17518 1 51 . 1 1 7 7 VAL H H 1 8.774 0.003 . 1 . . . A 426 VAL H . 17518 1 52 . 1 1 7 7 VAL HA H 1 4.462 0.007 . 1 . . . A 426 VAL HA . 17518 1 53 . 1 1 7 7 VAL HB H 1 1.628 0.006 . 1 . . . A 426 VAL HB . 17518 1 54 . 1 1 7 7 VAL HG11 H 1 0.666 0.003 . 1 . . . A 426 VAL HG11 . 17518 1 55 . 1 1 7 7 VAL HG12 H 1 0.666 0.003 . 1 . . . A 426 VAL HG12 . 17518 1 56 . 1 1 7 7 VAL HG13 H 1 0.666 0.003 . 1 . . . A 426 VAL HG13 . 17518 1 57 . 1 1 7 7 VAL HG21 H 1 0.618 0.006 . 1 . . . A 426 VAL HG21 . 17518 1 58 . 1 1 7 7 VAL HG22 H 1 0.618 0.006 . 1 . . . A 426 VAL HG22 . 17518 1 59 . 1 1 7 7 VAL HG23 H 1 0.618 0.006 . 1 . . . A 426 VAL HG23 . 17518 1 60 . 1 1 7 7 VAL C C 13 174.564 0 . 1 . . . A 426 VAL C . 17518 1 61 . 1 1 7 7 VAL CA C 13 61.369 0.046 . 1 . . . A 426 VAL CA . 17518 1 62 . 1 1 7 7 VAL CB C 13 34.432 0.043 . 1 . . . A 426 VAL CB . 17518 1 63 . 1 1 7 7 VAL CG1 C 13 21.181 0.039 . 1 . . . A 426 VAL CG1 . 17518 1 64 . 1 1 7 7 VAL CG2 C 13 21.625 0.031 . 1 . . . A 426 VAL CG2 . 17518 1 65 . 1 1 7 7 VAL N N 15 124.203 0.026 . 1 . . . A 426 VAL N . 17518 1 66 . 1 1 8 8 THR H H 1 8.851 0.002 . 1 . . . A 427 THR H . 17518 1 67 . 1 1 8 8 THR HA H 1 5.326 0.005 . 1 . . . A 427 THR HA . 17518 1 68 . 1 1 8 8 THR HB H 1 4.068 0.002 . 1 . . . A 427 THR HB . 17518 1 69 . 1 1 8 8 THR HG21 H 1 0.963 0.005 . 1 . . . A 427 THR HG21 . 17518 1 70 . 1 1 8 8 THR HG22 H 1 0.963 0.005 . 1 . . . A 427 THR HG22 . 17518 1 71 . 1 1 8 8 THR HG23 H 1 0.963 0.005 . 1 . . . A 427 THR HG23 . 17518 1 72 . 1 1 8 8 THR C C 13 173.108 0 . 1 . . . A 427 THR C . 17518 1 73 . 1 1 8 8 THR CA C 13 61.752 0.121 . 1 . . . A 427 THR CA . 17518 1 74 . 1 1 8 8 THR CB C 13 69.86 0.123 . 1 . . . A 427 THR CB . 17518 1 75 . 1 1 8 8 THR CG2 C 13 21.643 0.022 . 1 . . . A 427 THR CG2 . 17518 1 76 . 1 1 8 8 THR N N 15 125.363 0.023 . 1 . . . A 427 THR N . 17518 1 77 . 1 1 9 9 ILE H H 1 8.628 0.004 . 1 . . . A 428 ILE H . 17518 1 78 . 1 1 9 9 ILE HA H 1 4.656 0.007 . 1 . . . A 428 ILE HA . 17518 1 79 . 1 1 9 9 ILE HB H 1 1.139 0.008 . 1 . . . A 428 ILE HB . 17518 1 80 . 1 1 9 9 ILE HG12 H 1 0.959 0.005 . 1 . . . A 428 ILE HG12 . 17518 1 81 . 1 1 9 9 ILE HG13 H 1 -0.015 0.006 . 1 . . . A 428 ILE HG13 . 17518 1 82 . 1 1 9 9 ILE HG21 H 1 0.516 0.006 . 1 . . . A 428 ILE HG21 . 17518 1 83 . 1 1 9 9 ILE HG22 H 1 0.516 0.006 . 1 . . . A 428 ILE HG22 . 17518 1 84 . 1 1 9 9 ILE HG23 H 1 0.516 0.006 . 1 . . . A 428 ILE HG23 . 17518 1 85 . 1 1 9 9 ILE HD11 H 1 -0.391 0.006 . 1 . . . A 428 ILE HD11 . 17518 1 86 . 1 1 9 9 ILE HD12 H 1 -0.391 0.006 . 1 . . . A 428 ILE HD12 . 17518 1 87 . 1 1 9 9 ILE HD13 H 1 -0.391 0.006 . 1 . . . A 428 ILE HD13 . 17518 1 88 . 1 1 9 9 ILE C C 13 175.404 0 . 1 . . . A 428 ILE C . 17518 1 89 . 1 1 9 9 ILE CA C 13 59.88 0.092 . 1 . . . A 428 ILE CA . 17518 1 90 . 1 1 9 9 ILE CB C 13 43.191 0.075 . 1 . . . A 428 ILE CB . 17518 1 91 . 1 1 9 9 ILE CG1 C 13 27.777 0.031 . 1 . . . A 428 ILE CG1 . 17518 1 92 . 1 1 9 9 ILE CG2 C 13 17.301 0.038 . 1 . . . A 428 ILE CG2 . 17518 1 93 . 1 1 9 9 ILE CD1 C 13 14.198 0.027 . 1 . . . A 428 ILE CD1 . 17518 1 94 . 1 1 9 9 ILE N N 15 127.015 0.03 . 1 . . . A 428 ILE N . 17518 1 95 . 1 1 10 10 TYR H H 1 9.069 0.003 . 1 . . . A 429 TYR H . 17518 1 96 . 1 1 10 10 TYR HA H 1 5.169 0.006 . 1 . . . A 429 TYR HA . 17518 1 97 . 1 1 10 10 TYR HB2 H 1 3.247 0.007 . 1 . . . A 429 TYR HB2 . 17518 1 98 . 1 1 10 10 TYR HB3 H 1 2.523 0.007 . 1 . . . A 429 TYR HB3 . 17518 1 99 . 1 1 10 10 TYR HD1 H 1 6.774 0.094 . 2 . . . A 429 TYR HD1 . 17518 1 100 . 1 1 10 10 TYR HE1 H 1 6.627 0.001 . 2 . . . A 429 TYR HE1 . 17518 1 101 . 1 1 10 10 TYR C C 13 174.161 0 . 1 . . . A 429 TYR C . 17518 1 102 . 1 1 10 10 TYR CA C 13 57.251 0.054 . 1 . . . A 429 TYR CA . 17518 1 103 . 1 1 10 10 TYR CB C 13 40.383 0.046 . 1 . . . A 429 TYR CB . 17518 1 104 . 1 1 10 10 TYR CD1 C 13 132.417 0.033 . 3 . . . A 429 TYR CD1 . 17518 1 105 . 1 1 11 11 TYR H H 1 9.5 0.003 . 1 . . . A 430 TYR H . 17518 1 106 . 1 1 11 11 TYR HA H 1 4.99 0.006 . 1 . . . A 430 TYR HA . 17518 1 107 . 1 1 11 11 TYR HB2 H 1 2.652 0.005 . 1 . . . A 430 TYR HB2 . 17518 1 108 . 1 1 11 11 TYR HB3 H 1 2.227 0.007 . 1 . . . A 430 TYR HB3 . 17518 1 109 . 1 1 11 11 TYR HD2 H 1 6.129 0.007 . 2 . . . A 430 TYR HD2 . 17518 1 110 . 1 1 11 11 TYR HE2 H 1 6.427 0.004 . 2 . . . A 430 TYR HE2 . 17518 1 111 . 1 1 11 11 TYR C C 13 173.359 0 . 1 . . . A 430 TYR C . 17518 1 112 . 1 1 11 11 TYR CA C 13 56.63 0.069 . 1 . . . A 430 TYR CA . 17518 1 113 . 1 1 11 11 TYR CB C 13 42.942 0.048 . 1 . . . A 430 TYR CB . 17518 1 114 . 1 1 11 11 TYR CG C 13 126.09 0 . 1 . . . A 430 TYR CG . 17518 1 115 . 1 1 11 11 TYR CD2 C 13 132.925 0.021 . 3 . . . A 430 TYR CD2 . 17518 1 116 . 1 1 11 11 TYR CE2 C 13 116.15 0.028 . 3 . . . A 430 TYR CE2 . 17518 1 117 . 1 1 11 11 TYR N N 15 125.905 0.013 . 1 . . . A 430 TYR N . 17518 1 118 . 1 1 12 12 LYS H H 1 8.41 0.003 . 1 . . . A 431 LYS H . 17518 1 119 . 1 1 12 12 LYS HA H 1 3.362 0.005 . 1 . . . A 431 LYS HA . 17518 1 120 . 1 1 12 12 LYS HB2 H 1 1.623 0.006 . . . . . A 431 LYS HB2 . 17518 1 121 . 1 1 12 12 LYS HB3 H 1 1.275 0.012 . . . . . A 431 LYS HB3 . 17518 1 122 . 1 1 12 12 LYS HG2 H 1 0.855 0.005 . . . . . A 431 LYS HG2 . 17518 1 123 . 1 1 12 12 LYS HG3 H 1 0.319 0.006 . . . . . A 431 LYS HG3 . 17518 1 124 . 1 1 12 12 LYS HD2 H 1 1.249 0.007 . . . . . A 431 LYS HD2 . 17518 1 125 . 1 1 12 12 LYS HE2 H 1 2.724 0.007 . . . . . A 431 LYS HE2 . 17518 1 126 . 1 1 12 12 LYS C C 13 172.929 0 . 1 . . . A 431 LYS C . 17518 1 127 . 1 1 12 12 LYS CA C 13 55.867 0.05 . 1 . . . A 431 LYS CA . 17518 1 128 . 1 1 12 12 LYS CB C 13 33.171 0.067 . 1 . . . A 431 LYS CB . 17518 1 129 . 1 1 12 12 LYS CG C 13 25.381 0.019 . 1 . . . A 431 LYS CG . 17518 1 130 . 1 1 12 12 LYS CD C 13 29.103 0.022 . 1 . . . A 431 LYS CD . 17518 1 131 . 1 1 12 12 LYS CE C 13 42.376 0.002 . 1 . . . A 431 LYS CE . 17518 1 132 . 1 1 12 12 LYS N N 15 131.688 0.015 . 1 . . . A 431 LYS N . 17518 1 133 . 1 1 13 13 LYS HA H 1 3.872 0.005 . 1 . . . A 432 LYS HA . 17518 1 134 . 1 1 13 13 LYS HB2 H 1 1.818 0.004 . 1 . . . A 432 LYS HB2 . 17518 1 135 . 1 1 13 13 LYS HB3 H 1 1.508 0.004 . 1 . . . A 432 LYS HB3 . 17518 1 136 . 1 1 13 13 LYS HG2 H 1 1.632 0.006 . 1 . . . A 432 LYS HG2 . 17518 1 137 . 1 1 13 13 LYS HG3 H 1 1.276 0.005 . 1 . . . A 432 LYS HG3 . 17518 1 138 . 1 1 13 13 LYS HD2 H 1 1.818 0.004 . 1 . . . A 432 LYS HD2 . 17518 1 139 . 1 1 13 13 LYS HD3 H 1 1.508 0.004 . 1 . . . A 432 LYS HD3 . 17518 1 140 . 1 1 13 13 LYS HE2 H 1 2.74 0.006 . 1 . . . A 432 LYS HE2 . 17518 1 141 . 1 1 13 13 LYS HE3 H 1 2.642 0.004 . 1 . . . A 432 LYS HE3 . 17518 1 142 . 1 1 13 13 LYS C C 13 180.107 0 . 1 . . . A 432 LYS C . 17518 1 143 . 1 1 13 13 LYS CA C 13 52.508 0.052 . 1 . . . A 432 LYS CA . 17518 1 144 . 1 1 13 13 LYS CB C 13 31.654 0.041 . 1 . . . A 432 LYS CB . 17518 1 145 . 1 1 13 13 LYS CG C 13 26.255 0.032 . 1 . . . A 432 LYS CG . 17518 1 146 . 1 1 13 13 LYS CD C 13 30.764 0.022 . 1 . . . A 432 LYS CD . 17518 1 147 . 1 1 13 13 LYS CE C 13 42.79 0.02 . 1 . . . A 432 LYS CE . 17518 1 148 . 1 1 13 13 LYS N N 15 125.124 0.018 . 1 . . . A 432 LYS N . 17518 1 149 . 1 1 14 14 GLY H H 1 7.585 0.009 . 1 . . . A 433 GLY H . 17518 1 150 . 1 1 14 14 GLY HA2 H 1 4.398 0.005 . . . . . A 433 GLY HA2 . 17518 1 151 . 1 1 14 14 GLY HA3 H 1 3.713 0.003 . . . . . A 433 GLY HA3 . 17518 1 152 . 1 1 14 14 GLY C C 13 174.18 0 . 1 . . . A 433 GLY C . 17518 1 153 . 1 1 14 14 GLY CA C 13 46.342 0.052 . 1 . . . A 433 GLY CA . 17518 1 154 . 1 1 14 14 GLY N N 15 112.761 0.025 . 1 . . . A 433 GLY N . 17518 1 155 . 1 1 15 15 PHE H H 1 8.454 0.004 . 1 . . . A 434 PHE H . 17518 1 156 . 1 1 15 15 PHE HA H 1 4.691 0.001 . 1 . . . A 434 PHE HA . 17518 1 157 . 1 1 15 15 PHE HB2 H 1 3.237 0.005 . 1 . . . A 434 PHE HB2 . 17518 1 158 . 1 1 15 15 PHE HB3 H 1 2.425 0.009 . 1 . . . A 434 PHE HB3 . 17518 1 159 . 1 1 15 15 PHE HD1 H 1 7.142 0.006 . 2 . . . A 434 PHE HD1 . 17518 1 160 . 1 1 15 15 PHE C C 13 175.899 0 . 1 . . . A 434 PHE C . 17518 1 161 . 1 1 15 15 PHE CA C 13 57.157 0.014 . 1 . . . A 434 PHE CA . 17518 1 162 . 1 1 15 15 PHE CB C 13 38.472 0.042 . 1 . . . A 434 PHE CB . 17518 1 163 . 1 1 15 15 PHE CD1 C 13 130.754 0.097 . . . . . A 434 PHE CD1 . 17518 1 164 . 1 1 15 15 PHE N N 15 121.529 0.046 . 1 . . . A 434 PHE N . 17518 1 165 . 1 1 16 16 ASN H H 1 8.513 0.004 . 1 . . . A 435 ASN H . 17518 1 166 . 1 1 16 16 ASN HA H 1 4.399 0.003 . 1 . . . A 435 ASN HA . 17518 1 167 . 1 1 16 16 ASN HB2 H 1 2.802 0.001 . . . . . A 435 ASN HB2 . 17518 1 168 . 1 1 16 16 ASN HB3 H 1 2.76 0.001 . . . . . A 435 ASN HB3 . 17518 1 169 . 1 1 16 16 ASN HD21 H 1 7.678 0.005 . . . . . A 435 ASN HD21 . 17518 1 170 . 1 1 16 16 ASN HD22 H 1 7.031 0.034 . . . . . A 435 ASN HD22 . 17518 1 171 . 1 1 16 16 ASN C C 13 176.259 0 . 1 . . . A 435 ASN C . 17518 1 172 . 1 1 16 16 ASN CA C 13 56.521 0.054 . 1 . . . A 435 ASN CA . 17518 1 173 . 1 1 16 16 ASN CB C 13 39.366 0.033 . 1 . . . A 435 ASN CB . 17518 1 174 . 1 1 16 16 ASN CG C 13 176.683 0.019 . 1 . . . A 435 ASN CG . 17518 1 175 . 1 1 16 16 ASN N N 15 117.583 0.02 . 1 . . . A 435 ASN N . 17518 1 176 . 1 1 16 16 ASN ND2 N 15 114.037 0.237 . 1 . . . A 435 ASN ND2 . 17518 1 177 . 1 1 17 17 SER H H 1 8.315 0.01 . 1 . . . A 436 SER H . 17518 1 178 . 1 1 17 17 SER HA H 1 4.798 0.004 . 1 . . . A 436 SER HA . 17518 1 179 . 1 1 17 17 SER HB2 H 1 3.717 0.002 . 2 . . . A 436 SER HB2 . 17518 1 180 . 1 1 17 17 SER C C 13 171.151 0 . 1 . . . A 436 SER C . 17518 1 181 . 1 1 17 17 SER CA C 13 53.721 0.012 . 1 . . . A 436 SER CA . 17518 1 182 . 1 1 17 17 SER CB C 13 63.834 0.029 . 1 . . . A 436 SER CB . 17518 1 183 . 1 1 17 17 SER N N 15 112.889 0.046 . 1 . . . A 436 SER N . 17518 1 184 . 1 1 18 18 PRO HA H 1 4.562 0.004 . 1 . . . A 437 PRO HA . 17518 1 185 . 1 1 18 18 PRO HB2 H 1 1.654 0.005 . 1 . . . A 437 PRO HB2 . 17518 1 186 . 1 1 18 18 PRO HB3 H 1 1.266 0.005 . 1 . . . A 437 PRO HB3 . 17518 1 187 . 1 1 18 18 PRO HG2 H 1 1.754 0.017 . 1 . . . A 437 PRO HG2 . 17518 1 188 . 1 1 18 18 PRO HG3 H 1 1.677 0.004 . 1 . . . A 437 PRO HG3 . 17518 1 189 . 1 1 18 18 PRO HD2 H 1 3.56 0.005 . 1 . . . A 437 PRO HD2 . 17518 1 190 . 1 1 18 18 PRO HD3 H 1 3.502 0.006 . 1 . . . A 437 PRO HD3 . 17518 1 191 . 1 1 18 18 PRO C C 13 175.812 0 . 1 . . . A 437 PRO C . 17518 1 192 . 1 1 18 18 PRO CA C 13 62.617 0.044 . 1 . . . A 437 PRO CA . 17518 1 193 . 1 1 18 18 PRO CB C 13 32.774 0.018 . 1 . . . A 437 PRO CB . 17518 1 194 . 1 1 18 18 PRO CG C 13 28.079 0.035 . 1 . . . A 437 PRO CG . 17518 1 195 . 1 1 18 18 PRO CD C 13 49.061 0.011 . 1 . . . A 437 PRO CD . 17518 1 196 . 1 1 19 19 TYR H H 1 9.072 0.003 . 1 . . . A 438 TYR H . 17518 1 197 . 1 1 19 19 TYR HA H 1 4.83 0.004 . 1 . . . A 438 TYR HA . 17518 1 198 . 1 1 19 19 TYR HB2 H 1 2.539 0.007 . 1 . . . A 438 TYR HB2 . 17518 1 199 . 1 1 19 19 TYR HB3 H 1 2.295 0.01 . 1 . . . A 438 TYR HB3 . 17518 1 200 . 1 1 19 19 TYR HD1 H 1 6.629 0.013 . 2 . . . A 438 TYR HD1 . 17518 1 201 . 1 1 19 19 TYR HE1 H 1 6.53 0.008 . 2 . . . A 438 TYR HE1 . 17518 1 202 . 1 1 19 19 TYR C C 13 174.732 0 . 1 . . . A 438 TYR C . 17518 1 203 . 1 1 19 19 TYR CA C 13 56.729 0.024 . 1 . . . A 438 TYR CA . 17518 1 204 . 1 1 19 19 TYR CB C 13 40.758 0.028 . 1 . . . A 438 TYR CB . 17518 1 205 . 1 1 19 19 TYR CD1 C 13 132.119 0.009 . 1 . . . A 438 TYR CD1 . 17518 1 206 . 1 1 19 19 TYR N N 15 122.06 0.029 . 1 . . . A 438 TYR N . 17518 1 207 . 1 1 20 20 ILE H H 1 9.164 0.004 . 1 . . . A 439 ILE H . 17518 1 208 . 1 1 20 20 ILE HA H 1 4.988 0.007 . 1 . . . A 439 ILE HA . 17518 1 209 . 1 1 20 20 ILE HB H 1 1.956 0.004 . 1 . . . A 439 ILE HB . 17518 1 210 . 1 1 20 20 ILE HG12 H 1 0.959 0.008 . 1 . . . A 439 ILE HG12 . 17518 1 211 . 1 1 20 20 ILE HG13 H 1 1.102 0.012 . 1 . . . A 439 ILE HG13 . 17518 1 212 . 1 1 20 20 ILE HG21 H 1 1.095 0.004 . 1 . . . A 439 ILE HG21 . 17518 1 213 . 1 1 20 20 ILE HG22 H 1 1.095 0.004 . 1 . . . A 439 ILE HG22 . 17518 1 214 . 1 1 20 20 ILE HG23 H 1 1.095 0.004 . 1 . . . A 439 ILE HG23 . 17518 1 215 . 1 1 20 20 ILE HD11 H 1 0.364 0.014 . 1 . . . A 439 ILE HD11 . 17518 1 216 . 1 1 20 20 ILE HD12 H 1 0.364 0.014 . 1 . . . A 439 ILE HD12 . 17518 1 217 . 1 1 20 20 ILE HD13 H 1 0.364 0.014 . 1 . . . A 439 ILE HD13 . 17518 1 218 . 1 1 20 20 ILE C C 13 171.341 0 . 1 . . . A 439 ILE C . 17518 1 219 . 1 1 20 20 ILE CA C 13 58.573 0.026 . 1 . . . A 439 ILE CA . 17518 1 220 . 1 1 20 20 ILE CB C 13 41.658 0.04 . 1 . . . A 439 ILE CB . 17518 1 221 . 1 1 20 20 ILE CG1 C 13 29.049 0.031 . 1 . . . A 439 ILE CG1 . 17518 1 222 . 1 1 20 20 ILE CG2 C 13 15.629 0.033 . 1 . . . A 439 ILE CG2 . 17518 1 223 . 1 1 20 20 ILE CD1 C 13 14.101 0.029 . 1 . . . A 439 ILE CD1 . 17518 1 224 . 1 1 20 20 ILE N N 15 118.018 0.027 . 1 . . . A 439 ILE N . 17518 1 225 . 1 1 21 21 HIS H H 1 8.843 0.002 . 1 . . . A 440 HIS H . 17518 1 226 . 1 1 21 21 HIS HA H 1 5.375 0.002 . 1 . . . A 440 HIS HA . 17518 1 227 . 1 1 21 21 HIS HB2 H 1 3.192 0.01 . 1 . . . A 440 HIS HB2 . 17518 1 228 . 1 1 21 21 HIS HB3 H 1 2.718 0.012 . 1 . . . A 440 HIS HB3 . 17518 1 229 . 1 1 21 21 HIS HD1 H 1 6.354 0.006 . 1 . . . A 440 HIS HD1 . 17518 1 230 . 1 1 21 21 HIS HE1 H 1 7.816 0.003 . 1 . . . A 440 HIS HE1 . 17518 1 231 . 1 1 21 21 HIS C C 13 174.947 0 . 1 . . . A 440 HIS C . 17518 1 232 . 1 1 21 21 HIS CA C 13 53.801 0.04 . 1 . . . A 440 HIS CA . 17518 1 233 . 1 1 21 21 HIS CB C 13 35.001 0.034 . 1 . . . A 440 HIS CB . 17518 1 234 . 1 1 21 21 HIS CG C 13 139.557 0 . 1 . . . A 440 HIS CG . 17518 1 235 . 1 1 21 21 HIS CD2 C 13 117.108 0.041 . 1 . . . A 440 HIS CD2 . 17518 1 236 . 1 1 21 21 HIS CE1 C 13 139.675 0.024 . 1 . . . A 440 HIS CE1 . 17518 1 237 . 1 1 21 21 HIS N N 15 133.346 0.021 . 1 . . . A 440 HIS N . 17518 1 238 . 1 1 22 22 TYR H H 1 8.231 0.003 . 1 . . . A 441 TYR H . 17518 1 239 . 1 1 22 22 TYR HA H 1 6.057 0.004 . 1 . . . A 441 TYR HA . 17518 1 240 . 1 1 22 22 TYR HB2 H 1 2.878 0.007 . 1 . . . A 441 TYR HB2 . 17518 1 241 . 1 1 22 22 TYR HB3 H 1 2.565 0.006 . 1 . . . A 441 TYR HB3 . 17518 1 242 . 1 1 22 22 TYR HD1 H 1 6.593 0.008 . 2 . . . A 441 TYR HD1 . 17518 1 243 . 1 1 22 22 TYR C C 13 173.567 0 . 1 . . . A 441 TYR C . 17518 1 244 . 1 1 22 22 TYR CA C 13 56.693 0.032 . 1 . . . A 441 TYR CA . 17518 1 245 . 1 1 22 22 TYR CB C 13 42.796 0.044 . 1 . . . A 441 TYR CB . 17518 1 246 . 1 1 22 22 TYR CG C 13 128.19 0 . 1 . . . A 441 TYR CG . 17518 1 247 . 1 1 22 22 TYR CD1 C 13 132.169 0.033 . 3 . . . A 441 TYR CD1 . 17518 1 248 . 1 1 22 22 TYR N N 15 121.863 0.059 . 1 . . . A 441 TYR N . 17518 1 249 . 1 1 23 23 ARG H H 1 8.456 0.01 . 1 . . . A 442 ARG H . 17518 1 250 . 1 1 23 23 ARG HA H 1 4.631 0.005 . 1 . . . A 442 ARG HA . 17518 1 251 . 1 1 23 23 ARG HB2 H 1 0.214 0.032 . . . . . A 442 ARG HB2 . 17518 1 252 . 1 1 23 23 ARG HB3 H 1 0.044 0.006 . . . . . A 442 ARG HB3 . 17518 1 253 . 1 1 23 23 ARG HG2 H 1 0.523 0.007 . . . . . A 442 ARG HG2 . 17518 1 254 . 1 1 23 23 ARG HG3 H 1 -0.079 0.006 . . . . . A 442 ARG HG3 . 17518 1 255 . 1 1 23 23 ARG HD2 H 1 2.325 0.003 . . . . . A 442 ARG HD2 . 17518 1 256 . 1 1 23 23 ARG HD3 H 1 1.346 0.009 . . . . . A 442 ARG HD3 . 17518 1 257 . 1 1 23 23 ARG HE H 1 6.353 0.005 . 1 . . . A 442 ARG HE . 17518 1 258 . 1 1 23 23 ARG CA C 13 52.36 0.012 . 1 . . . A 442 ARG CA . 17518 1 259 . 1 1 23 23 ARG CB C 13 32.314 0.032 . 1 . . . A 442 ARG CB . 17518 1 260 . 1 1 23 23 ARG CG C 13 23.713 0.031 . 1 . . . A 442 ARG CG . 17518 1 261 . 1 1 23 23 ARG CD C 13 43.635 0.031 . 1 . . . A 442 ARG CD . 17518 1 262 . 1 1 23 23 ARG N N 15 116.788 0.025 . 1 . . . A 442 ARG N . 17518 1 263 . 1 1 23 23 ARG NE N 15 84.945 0.01 . 1 . . . A 442 ARG NE . 17518 1 264 . 1 1 24 24 PRO HA H 1 4.507 0.005 . 1 . . . A 443 PRO HA . 17518 1 265 . 1 1 24 24 PRO HB2 H 1 2.095 0.006 . 1 . . . A 443 PRO HB2 . 17518 1 266 . 1 1 24 24 PRO HB3 H 1 1.81 0.005 . 1 . . . A 443 PRO HB3 . 17518 1 267 . 1 1 24 24 PRO HG2 H 1 2.146 0.005 . 1 . . . A 443 PRO HG2 . 17518 1 268 . 1 1 24 24 PRO HG3 H 1 1.95 0.005 . 1 . . . A 443 PRO HG3 . 17518 1 269 . 1 1 24 24 PRO HD2 H 1 3.779 0.003 . 1 . . . A 443 PRO HD2 . 17518 1 270 . 1 1 24 24 PRO HD3 H 1 3.635 0.005 . 1 . . . A 443 PRO HD3 . 17518 1 271 . 1 1 24 24 PRO C C 13 176.258 0 . 1 . . . A 443 PRO C . 17518 1 272 . 1 1 24 24 PRO CA C 13 62.244 0.062 . 1 . . . A 443 PRO CA . 17518 1 273 . 1 1 24 24 PRO CB C 13 32.197 0.057 . 1 . . . A 443 PRO CB . 17518 1 274 . 1 1 24 24 PRO CG C 13 28.164 0.03 . 1 . . . A 443 PRO CG . 17518 1 275 . 1 1 24 24 PRO CD C 13 51.263 0.02 . 1 . . . A 443 PRO CD . 17518 1 276 . 1 1 25 25 ALA H H 1 8.23 0.003 . 1 . . . A 444 ALA H . 17518 1 277 . 1 1 25 25 ALA HA H 1 3.958 0.004 . 1 . . . A 444 ALA HA . 17518 1 278 . 1 1 25 25 ALA HB1 H 1 1.312 0.004 . 1 . . . A 444 ALA HB1 . 17518 1 279 . 1 1 25 25 ALA HB2 H 1 1.312 0.004 . 1 . . . A 444 ALA HB2 . 17518 1 280 . 1 1 25 25 ALA HB3 H 1 1.312 0.004 . 1 . . . A 444 ALA HB3 . 17518 1 281 . 1 1 25 25 ALA C C 13 179.221 0 . 1 . . . A 444 ALA C . 17518 1 282 . 1 1 25 25 ALA CA C 13 54.18 0.036 . 1 . . . A 444 ALA CA . 17518 1 283 . 1 1 25 25 ALA CB C 13 18.42 0.044 . 1 . . . A 444 ALA CB . 17518 1 284 . 1 1 25 25 ALA N N 15 125.666 0.019 . 1 . . . A 444 ALA N . 17518 1 285 . 1 1 26 26 GLY H H 1 8.591 0.015 . 1 . . . A 445 GLY H . 17518 1 286 . 1 1 26 26 GLY HA2 H 1 4.03 0.001 . 1 . . . A 445 GLY HA2 . 17518 1 287 . 1 1 26 26 GLY HA3 H 1 3.631 0.001 . 1 . . . A 445 GLY HA3 . 17518 1 288 . 1 1 26 26 GLY C C 13 174.734 0 . 1 . . . A 445 GLY C . 17518 1 289 . 1 1 26 26 GLY CA C 13 45.662 0.01 . 1 . . . A 445 GLY CA . 17518 1 290 . 1 1 26 26 GLY N N 15 112.217 0.074 . 1 . . . A 445 GLY N . 17518 1 291 . 1 1 27 27 GLY H H 1 8.38 0.005 . 1 . . . A 446 GLY H . 17518 1 292 . 1 1 27 27 GLY HA2 H 1 4.531 0.002 . 1 . . . A 446 GLY HA2 . 17518 1 293 . 1 1 27 27 GLY HA3 H 1 3.374 0.005 . 1 . . . A 446 GLY HA3 . 17518 1 294 . 1 1 27 27 GLY C C 13 173.379 0 . 1 . . . A 446 GLY C . 17518 1 295 . 1 1 27 27 GLY CA C 13 44.117 0.017 . 1 . . . A 446 GLY CA . 17518 1 296 . 1 1 27 27 GLY N N 15 109.489 0.018 . 1 . . . A 446 GLY N . 17518 1 297 . 1 1 28 28 SER H H 1 8.585 0.008 . 1 . . . A 447 SER H . 17518 1 298 . 1 1 28 28 SER HA H 1 4.637 0.006 . 1 . . . A 447 SER HA . 17518 1 299 . 1 1 28 28 SER HB2 H 1 3.839 0.002 . 1 . . . A 447 SER HB2 . 17518 1 300 . 1 1 28 28 SER HB3 H 1 3.638 0.001 . 1 . . . A 447 SER HB3 . 17518 1 301 . 1 1 28 28 SER C C 13 173.759 0 . 1 . . . A 447 SER C . 17518 1 302 . 1 1 28 28 SER CA C 13 57.41 0.062 . 1 . . . A 447 SER CA . 17518 1 303 . 1 1 28 28 SER CB C 13 65.022 0.024 . 1 . . . A 447 SER CB . 17518 1 304 . 1 1 28 28 SER N N 15 117.275 0.02 . 1 . . . A 447 SER N . 17518 1 305 . 1 1 29 29 TRP H H 1 8.346 0.009 . 1 . . . A 448 TRP H . 17518 1 306 . 1 1 29 29 TRP HA H 1 4.393 0.004 . 1 . . . A 448 TRP HA . 17518 1 307 . 1 1 29 29 TRP HB2 H 1 3.277 0.005 . 1 . . . A 448 TRP HB2 . 17518 1 308 . 1 1 29 29 TRP HB3 H 1 2.825 0.007 . 1 . . . A 448 TRP HB3 . 17518 1 309 . 1 1 29 29 TRP HD1 H 1 7.264 0.007 . 1 . . . A 448 TRP HD1 . 17518 1 310 . 1 1 29 29 TRP HE1 H 1 9.867 0.006 . 1 . . . A 448 TRP HE1 . 17518 1 311 . 1 1 29 29 TRP HE3 H 1 6.095 0.004 . 1 . . . A 448 TRP HE3 . 17518 1 312 . 1 1 29 29 TRP HZ2 H 1 7.104 0.003 . 1 . . . A 448 TRP HZ2 . 17518 1 313 . 1 1 29 29 TRP HZ3 H 1 6.693 0.003 . 1 . . . A 448 TRP HZ3 . 17518 1 314 . 1 1 29 29 TRP HH2 H 1 6.664 0.005 . 1 . . . A 448 TRP HH2 . 17518 1 315 . 1 1 29 29 TRP C C 13 178.997 0 . 1 . . . A 448 TRP C . 17518 1 316 . 1 1 29 29 TRP CA C 13 58.166 0.035 . 1 . . . A 448 TRP CA . 17518 1 317 . 1 1 29 29 TRP CB C 13 30.606 0.025 . 1 . . . A 448 TRP CB . 17518 1 318 . 1 1 29 29 TRP CG C 13 111.509 0 . 1 . . . A 448 TRP CG . 17518 1 319 . 1 1 29 29 TRP CD1 C 13 126.065 0.027 . 1 . . . A 448 TRP CD1 . 17518 1 320 . 1 1 29 29 TRP CE2 C 13 137.728 0 . 1 . . . A 448 TRP CE2 . 17518 1 321 . 1 1 29 29 TRP CE3 C 13 119.673 0.025 . 1 . . . A 448 TRP CE3 . 17518 1 322 . 1 1 29 29 TRP CZ2 C 13 112.867 0.009 . 1 . . . A 448 TRP CZ2 . 17518 1 323 . 1 1 29 29 TRP CZ3 C 13 121.609 0 . 1 . . . A 448 TRP CZ3 . 17518 1 324 . 1 1 29 29 TRP CH2 C 13 123.276 0.013 . 1 . . . A 448 TRP CH2 . 17518 1 325 . 1 1 29 29 TRP N N 15 123.426 0.026 . 1 . . . A 448 TRP N . 17518 1 326 . 1 1 29 29 TRP NE1 N 15 128.653 0.039 . 1 . . . A 448 TRP NE1 . 17518 1 327 . 1 1 30 30 THR H H 1 7.888 0.003 . 1 . . . A 449 THR H . 17518 1 328 . 1 1 30 30 THR HA H 1 3.978 0.004 . 1 . . . A 449 THR HA . 17518 1 329 . 1 1 30 30 THR HB H 1 4.275 0.002 . 1 . . . A 449 THR HB . 17518 1 330 . 1 1 30 30 THR HG21 H 1 0.687 0.004 . 1 . . . A 449 THR HG21 . 17518 1 331 . 1 1 30 30 THR HG22 H 1 0.687 0.004 . 1 . . . A 449 THR HG22 . 17518 1 332 . 1 1 30 30 THR HG23 H 1 0.687 0.004 . 1 . . . A 449 THR HG23 . 17518 1 333 . 1 1 30 30 THR C C 13 174.707 0 . 1 . . . A 449 THR C . 17518 1 334 . 1 1 30 30 THR CA C 13 61.317 0.049 . 1 . . . A 449 THR CA . 17518 1 335 . 1 1 30 30 THR CB C 13 70.526 0.055 . 1 . . . A 449 THR CB . 17518 1 336 . 1 1 30 30 THR CG2 C 13 22.576 0.026 . 1 . . . A 449 THR CG2 . 17518 1 337 . 1 1 30 30 THR N N 15 111.168 0.049 . 1 . . . A 449 THR N . 17518 1 338 . 1 1 31 31 ALA H H 1 8.383 0.009 . 1 . . . A 450 ALA H . 17518 1 339 . 1 1 31 31 ALA HA H 1 4.399 0.004 . 1 . . . A 450 ALA HA . 17518 1 340 . 1 1 31 31 ALA HB1 H 1 1.349 0.003 . 1 . . . A 450 ALA HB1 . 17518 1 341 . 1 1 31 31 ALA HB2 H 1 1.349 0.003 . 1 . . . A 450 ALA HB2 . 17518 1 342 . 1 1 31 31 ALA HB3 H 1 1.349 0.003 . 1 . . . A 450 ALA HB3 . 17518 1 343 . 1 1 31 31 ALA C C 13 178.443 0 . 1 . . . A 450 ALA C . 17518 1 344 . 1 1 31 31 ALA CA C 13 51.884 0.03 . 1 . . . A 450 ALA CA . 17518 1 345 . 1 1 31 31 ALA CB C 13 18.061 0.064 . 1 . . . A 450 ALA CB . 17518 1 346 . 1 1 31 31 ALA N N 15 122.982 0.044 . 1 . . . A 450 ALA N . 17518 1 347 . 1 1 32 32 ALA H H 1 8.778 0.008 . 1 . . . A 451 ALA H . 17518 1 348 . 1 1 32 32 ALA HA H 1 3.858 0.007 . 1 . . . A 451 ALA HA . 17518 1 349 . 1 1 32 32 ALA HB1 H 1 1.018 0.003 . 1 . . . A 451 ALA HB1 . 17518 1 350 . 1 1 32 32 ALA HB2 H 1 1.018 0.003 . 1 . . . A 451 ALA HB2 . 17518 1 351 . 1 1 32 32 ALA HB3 H 1 1.018 0.003 . 1 . . . A 451 ALA HB3 . 17518 1 352 . 1 1 32 32 ALA C C 13 175.997 0 . 1 . . . A 451 ALA C . 17518 1 353 . 1 1 32 32 ALA CA C 13 51.811 0.039 . 1 . . . A 451 ALA CA . 17518 1 354 . 1 1 32 32 ALA CB C 13 16.246 0.087 . 1 . . . A 451 ALA CB . 17518 1 355 . 1 1 32 32 ALA N N 15 129.78 0.031 . 1 . . . A 451 ALA N . 17518 1 356 . 1 1 33 33 PRO HA H 1 3.844 0.005 . 1 . . . A 452 PRO HA . 17518 1 357 . 1 1 33 33 PRO HB2 H 1 1.917 0.005 . 1 . . . A 452 PRO HB2 . 17518 1 358 . 1 1 33 33 PRO HB3 H 1 1.631 0.005 . 1 . . . A 452 PRO HB3 . 17518 1 359 . 1 1 33 33 PRO HG2 H 1 1.376 0.003 . 1 . . . A 452 PRO HG2 . 17518 1 360 . 1 1 33 33 PRO HG3 H 1 1.123 0.003 . 1 . . . A 452 PRO HG3 . 17518 1 361 . 1 1 33 33 PRO HD2 H 1 3.482 0.003 . 1 . . . A 452 PRO HD2 . 17518 1 362 . 1 1 33 33 PRO HD3 H 1 3.233 0.002 . 1 . . . A 452 PRO HD3 . 17518 1 363 . 1 1 33 33 PRO C C 13 173.297 0 . 1 . . . A 452 PRO C . 17518 1 364 . 1 1 33 33 PRO CA C 13 63.732 0.029 . 1 . . . A 452 PRO CA . 17518 1 365 . 1 1 33 33 PRO CB C 13 33.646 0.058 . 1 . . . A 452 PRO CB . 17518 1 366 . 1 1 33 33 PRO CG C 13 23.856 0.03 . 1 . . . A 452 PRO CG . 17518 1 367 . 1 1 33 33 PRO CD C 13 50.197 0.021 . 1 . . . A 452 PRO CD . 17518 1 368 . 1 1 34 34 GLY H H 1 8.685 0.003 . 1 . . . A 453 GLY H . 17518 1 369 . 1 1 34 34 GLY HA2 H 1 4.99 0.006 . 1 . . . A 453 GLY HA2 . 17518 1 370 . 1 1 34 34 GLY HA3 H 1 3.58 0.005 . 1 . . . A 453 GLY HA3 . 17518 1 371 . 1 1 34 34 GLY C C 13 174.011 0 . 1 . . . A 453 GLY C . 17518 1 372 . 1 1 34 34 GLY CA C 13 43.995 0.03 . 1 . . . A 453 GLY CA . 17518 1 373 . 1 1 34 34 GLY N N 15 112.15 0.029 . 1 . . . A 453 GLY N . 17518 1 374 . 1 1 35 35 VAL H H 1 9.287 0.004 . 1 . . . A 454 VAL H . 17518 1 375 . 1 1 35 35 VAL HA H 1 4.346 0.004 . 1 . . . A 454 VAL HA . 17518 1 376 . 1 1 35 35 VAL HB H 1 2.034 0.005 . 1 . . . A 454 VAL HB . 17518 1 377 . 1 1 35 35 VAL HG11 H 1 1.087 0.004 . 2 . . . A 454 VAL HG11 . 17518 1 378 . 1 1 35 35 VAL HG12 H 1 1.087 0.004 . 2 . . . A 454 VAL HG12 . 17518 1 379 . 1 1 35 35 VAL HG13 H 1 1.087 0.004 . 2 . . . A 454 VAL HG13 . 17518 1 380 . 1 1 35 35 VAL HG21 H 1 0.984 0.007 . 2 . . . A 454 VAL HG21 . 17518 1 381 . 1 1 35 35 VAL HG22 H 1 0.984 0.007 . 2 . . . A 454 VAL HG22 . 17518 1 382 . 1 1 35 35 VAL HG23 H 1 0.984 0.007 . 2 . . . A 454 VAL HG23 . 17518 1 383 . 1 1 35 35 VAL C C 13 174.782 0 . 1 . . . A 454 VAL C . 17518 1 384 . 1 1 35 35 VAL CA C 13 60.959 0.025 . 1 . . . A 454 VAL CA . 17518 1 385 . 1 1 35 35 VAL CB C 13 34.857 0.066 . 1 . . . A 454 VAL CB . 17518 1 386 . 1 1 35 35 VAL CG1 C 13 21.517 0.019 . 1 . . . A 454 VAL CG1 . 17518 1 387 . 1 1 35 35 VAL CG2 C 13 21.731 0.008 . 1 . . . A 454 VAL CG2 . 17518 1 388 . 1 1 35 35 VAL N N 15 123.276 0.038 . 1 . . . A 454 VAL N . 17518 1 389 . 1 1 36 36 LYS H H 1 8.443 0.008 . 1 . . . A 455 LYS H . 17518 1 390 . 1 1 36 36 LYS HA H 1 3.061 0.004 . 1 . . . A 455 LYS HA . 17518 1 391 . 1 1 36 36 LYS HB2 H 1 1.388 0.004 . 1 . . . A 455 LYS HB2 . 17518 1 392 . 1 1 36 36 LYS HB3 H 1 1.024 0.008 . 1 . . . A 455 LYS HB3 . 17518 1 393 . 1 1 36 36 LYS HG2 H 1 0.904 0.004 . 1 . . . A 455 LYS HG2 . 17518 1 394 . 1 1 36 36 LYS HG3 H 1 0.528 0.006 . 1 . . . A 455 LYS HG3 . 17518 1 395 . 1 1 36 36 LYS HD2 H 1 1.354 0.003 . 2 . . . A 455 LYS HD2 . 17518 1 396 . 1 1 36 36 LYS HE2 H 1 2.763 0.002 . 2 . . . A 455 LYS HE2 . 17518 1 397 . 1 1 36 36 LYS C C 13 176.438 0 . 1 . . . A 455 LYS C . 17518 1 398 . 1 1 36 36 LYS CA C 13 57.223 0.043 . 1 . . . A 455 LYS CA . 17518 1 399 . 1 1 36 36 LYS CB C 13 32.619 0.025 . 1 . . . A 455 LYS CB . 17518 1 400 . 1 1 36 36 LYS CG C 13 25.145 0.027 . 1 . . . A 455 LYS CG . 17518 1 401 . 1 1 36 36 LYS CD C 13 29.068 0.027 . 1 . . . A 455 LYS CD . 17518 1 402 . 1 1 36 36 LYS CE C 13 42.132 0.016 . 1 . . . A 455 LYS CE . 17518 1 403 . 1 1 36 36 LYS N N 15 128.135 0.018 . 1 . . . A 455 LYS N . 17518 1 404 . 1 1 37 37 MET H H 1 8.121 0.004 . 1 . . . A 456 MET H . 17518 1 405 . 1 1 37 37 MET HA H 1 4.207 0.004 . 1 . . . A 456 MET HA . 17518 1 406 . 1 1 37 37 MET HB2 H 1 1.928 0.006 . 1 . . . A 456 MET HB2 . 17518 1 407 . 1 1 37 37 MET HB3 H 1 1.641 0.008 . 1 . . . A 456 MET HB3 . 17518 1 408 . 1 1 37 37 MET HG2 H 1 2.385 0.006 . 1 . . . A 456 MET HG2 . 17518 1 409 . 1 1 37 37 MET HG3 H 1 1.997 0.006 . 1 . . . A 456 MET HG3 . 17518 1 410 . 1 1 37 37 MET C C 13 175.59 0 . 1 . . . A 456 MET C . 17518 1 411 . 1 1 37 37 MET CA C 13 56.409 0.029 . 1 . . . A 456 MET CA . 17518 1 412 . 1 1 37 37 MET CB C 13 34.978 0.025 . 1 . . . A 456 MET CB . 17518 1 413 . 1 1 37 37 MET CG C 13 34.052 0.029 . 1 . . . A 456 MET CG . 17518 1 414 . 1 1 37 37 MET N N 15 124.85 0.04 . 1 . . . A 456 MET N . 17518 1 415 . 1 1 38 38 GLN H H 1 8.441 0.014 . 1 . . . A 457 GLN H . 17518 1 416 . 1 1 38 38 GLN HA H 1 4.393 0.004 . 1 . . . A 457 GLN HA . 17518 1 417 . 1 1 38 38 GLN HB2 H 1 2.145 0.003 . 1 . . . A 457 GLN HB2 . 17518 1 418 . 1 1 38 38 GLN HB3 H 1 1.976 0.004 . 1 . . . A 457 GLN HB3 . 17518 1 419 . 1 1 38 38 GLN HG2 H 1 2.418 0.003 . 1 . . . A 457 GLN HG2 . 17518 1 420 . 1 1 38 38 GLN HG3 H 1 2.346 0.005 . 1 . . . A 457 GLN HG3 . 17518 1 421 . 1 1 38 38 GLN HE21 H 1 7.423 0.004 . 1 . . . A 457 GLN HE21 . 17518 1 422 . 1 1 38 38 GLN HE22 H 1 6.767 0.005 . 1 . . . A 457 GLN HE22 . 17518 1 423 . 1 1 38 38 GLN C C 13 175.737 0 . 1 . . . A 457 GLN C . 17518 1 424 . 1 1 38 38 GLN CA C 13 54.783 0.023 . 1 . . . A 457 GLN CA . 17518 1 425 . 1 1 38 38 GLN CB C 13 30.307 0.019 . 1 . . . A 457 GLN CB . 17518 1 426 . 1 1 38 38 GLN CG C 13 33.994 0.016 . 1 . . . A 457 GLN CG . 17518 1 427 . 1 1 38 38 GLN CD C 13 180.607 0.022 . 1 . . . A 457 GLN CD . 17518 1 428 . 1 1 38 38 GLN N N 15 121.555 0.083 . 1 . . . A 457 GLN N . 17518 1 429 . 1 1 38 38 GLN NE2 N 15 111.988 0.194 . 1 . . . A 457 GLN NE2 . 17518 1 430 . 1 1 39 39 ASP H H 1 8.72 0.009 . 1 . . . A 458 ASP H . 17518 1 431 . 1 1 39 39 ASP HA H 1 4.731 0.005 . 1 . . . A 458 ASP HA . 17518 1 432 . 1 1 39 39 ASP HB2 H 1 2.883 0.001 . 1 . . . A 458 ASP HB2 . 17518 1 433 . 1 1 39 39 ASP HB3 H 1 2.55 0.002 . 1 . . . A 458 ASP HB3 . 17518 1 434 . 1 1 39 39 ASP C C 13 176.733 0 . 1 . . . A 458 ASP C . 17518 1 435 . 1 1 39 39 ASP CA C 13 56.257 0.016 . 1 . . . A 458 ASP CA . 17518 1 436 . 1 1 39 39 ASP CB C 13 40.358 0.034 . 1 . . . A 458 ASP CB . 17518 1 437 . 1 1 39 39 ASP CG C 13 179.736 0.004 . 1 . . . A 458 ASP CG . 17518 1 438 . 1 1 39 39 ASP N N 15 121.629 0.028 . 1 . . . A 458 ASP N . 17518 1 439 . 1 1 40 40 ALA H H 1 8.423 0.006 . 1 . . . A 459 ALA H . 17518 1 440 . 1 1 40 40 ALA HA H 1 4.292 0.004 . 1 . . . A 459 ALA HA . 17518 1 441 . 1 1 40 40 ALA HB1 H 1 1.507 0.005 . 1 . . . A 459 ALA HB1 . 17518 1 442 . 1 1 40 40 ALA HB2 H 1 1.507 0.005 . 1 . . . A 459 ALA HB2 . 17518 1 443 . 1 1 40 40 ALA HB3 H 1 1.507 0.005 . 1 . . . A 459 ALA HB3 . 17518 1 444 . 1 1 40 40 ALA C C 13 175.201 0 . 1 . . . A 459 ALA C . 17518 1 445 . 1 1 40 40 ALA CA C 13 50.556 0.015 . 1 . . . A 459 ALA CA . 17518 1 446 . 1 1 40 40 ALA CB C 13 21.948 0.04 . 1 . . . A 459 ALA CB . 17518 1 447 . 1 1 40 40 ALA N N 15 122.646 0.028 . 1 . . . A 459 ALA N . 17518 1 448 . 1 1 41 41 GLU H H 1 10.341 0.002 . 1 . . . A 460 GLU H . 17518 1 449 . 1 1 41 41 GLU HA H 1 4.307 0.002 . 1 . . . A 460 GLU HA . 17518 1 450 . 1 1 41 41 GLU HB2 H 1 2.084 0.009 . 2 . . . A 460 GLU HB2 . 17518 1 451 . 1 1 41 41 GLU HG2 H 1 2.521 0.004 . 1 . . . A 460 GLU HG2 . 17518 1 452 . 1 1 41 41 GLU HG3 H 1 2.151 0.004 . 1 . . . A 460 GLU HG3 . 17518 1 453 . 1 1 41 41 GLU C C 13 174.722 0 . 1 . . . A 460 GLU C . 17518 1 454 . 1 1 41 41 GLU CA C 13 57.519 0.055 . 1 . . . A 460 GLU CA . 17518 1 455 . 1 1 41 41 GLU CB C 13 27.336 0.065 . 1 . . . A 460 GLU CB . 17518 1 456 . 1 1 41 41 GLU CG C 13 35.265 0.019 . 1 . . . A 460 GLU CG . 17518 1 457 . 1 1 41 41 GLU N N 15 120.19 0.038 . 1 . . . A 460 GLU N . 17518 1 458 . 1 1 42 42 ILE H H 1 6.466 0.003 . 1 . . . A 461 ILE H . 17518 1 459 . 1 1 42 42 ILE HA H 1 4.311 0.003 . 1 . . . A 461 ILE HA . 17518 1 460 . 1 1 42 42 ILE HB H 1 1.404 0.005 . 1 . . . A 461 ILE HB . 17518 1 461 . 1 1 42 42 ILE HG12 H 1 0.987 0.004 . 1 . . . A 461 ILE HG12 . 17518 1 462 . 1 1 42 42 ILE HG13 H 1 1.261 0.006 . 1 . . . A 461 ILE HG13 . 17518 1 463 . 1 1 42 42 ILE HG21 H 1 0.803 0.004 . 1 . . . A 461 ILE HG21 . 17518 1 464 . 1 1 42 42 ILE HG22 H 1 0.803 0.004 . 1 . . . A 461 ILE HG22 . 17518 1 465 . 1 1 42 42 ILE HG23 H 1 0.803 0.004 . 1 . . . A 461 ILE HG23 . 17518 1 466 . 1 1 42 42 ILE HD11 H 1 0.411 0.005 . 1 . . . A 461 ILE HD11 . 17518 1 467 . 1 1 42 42 ILE HD12 H 1 0.411 0.005 . 1 . . . A 461 ILE HD12 . 17518 1 468 . 1 1 42 42 ILE HD13 H 1 0.411 0.005 . 1 . . . A 461 ILE HD13 . 17518 1 469 . 1 1 42 42 ILE C C 13 174.959 0 . 1 . . . A 461 ILE C . 17518 1 470 . 1 1 42 42 ILE CA C 13 58.966 0.03 . 1 . . . A 461 ILE CA . 17518 1 471 . 1 1 42 42 ILE CB C 13 39.745 0.031 . 1 . . . A 461 ILE CB . 17518 1 472 . 1 1 42 42 ILE CG1 C 13 27.121 0.019 . 1 . . . A 461 ILE CG1 . 17518 1 473 . 1 1 42 42 ILE CG2 C 13 17.812 0.03 . 1 . . . A 461 ILE CG2 . 17518 1 474 . 1 1 42 42 ILE CD1 C 13 13.088 0.029 . 1 . . . A 461 ILE CD1 . 17518 1 475 . 1 1 42 42 ILE N N 15 119.473 0.029 . 1 . . . A 461 ILE N . 17518 1 476 . 1 1 43 43 SER H H 1 8.584 0.008 . 1 . . . A 462 SER H . 17518 1 477 . 1 1 43 43 SER HA H 1 4.297 0.004 . 1 . . . A 462 SER HA . 17518 1 478 . 1 1 43 43 SER HB2 H 1 3.843 0.002 . 2 . . . A 462 SER HB2 . 17518 1 479 . 1 1 43 43 SER C C 13 175.624 0 . 1 . . . A 462 SER C . 17518 1 480 . 1 1 43 43 SER CA C 13 60.112 0.057 . 1 . . . A 462 SER CA . 17518 1 481 . 1 1 43 43 SER CB C 13 63.116 0.029 . 1 . . . A 462 SER CB . 17518 1 482 . 1 1 43 43 SER N N 15 121.292 0.049 . 1 . . . A 462 SER N . 17518 1 483 . 1 1 44 44 GLY H H 1 8.623 0.011 . 1 . . . A 463 GLY H . 17518 1 484 . 1 1 44 44 GLY HA2 H 1 4.224 0.003 . . . . . A 463 GLY HA2 . 17518 1 485 . 1 1 44 44 GLY HA3 H 1 3.658 0.003 . . . . . A 463 GLY HA3 . 17518 1 486 . 1 1 44 44 GLY C C 13 173.823 0 . 1 . . . A 463 GLY C . 17518 1 487 . 1 1 44 44 GLY CA C 13 44.879 0.053 . 1 . . . A 463 GLY CA . 17518 1 488 . 1 1 44 44 GLY N N 15 111.896 0.03 . 1 . . . A 463 GLY N . 17518 1 489 . 1 1 45 45 TYR H H 1 7.803 0.003 . 1 . . . A 464 TYR H . 17518 1 490 . 1 1 45 45 TYR HA H 1 5.698 0.005 . 1 . . . A 464 TYR HA . 17518 1 491 . 1 1 45 45 TYR HB2 H 1 2.98 0.008 . 2 . . . A 464 TYR HB2 . 17518 1 492 . 1 1 45 45 TYR HD2 H 1 6.81 0.009 . 2 . . . A 464 TYR HD2 . 17518 1 493 . 1 1 45 45 TYR HE2 H 1 6.543 0.004 . 2 . . . A 464 TYR HE2 . 17518 1 494 . 1 1 45 45 TYR C C 13 175.693 0 . 1 . . . A 464 TYR C . 17518 1 495 . 1 1 45 45 TYR CA C 13 56.612 0.028 . 1 . . . A 464 TYR CA . 17518 1 496 . 1 1 45 45 TYR CB C 13 41.924 0.088 . 1 . . . A 464 TYR CB . 17518 1 497 . 1 1 45 45 TYR CD2 C 13 132.413 0.017 . 3 . . . A 464 TYR CD2 . 17518 1 498 . 1 1 45 45 TYR CE2 C 13 117.243 0.013 . 3 . . . A 464 TYR CE2 . 17518 1 499 . 1 1 45 45 TYR N N 15 116.379 0.03 . 1 . . . A 464 TYR N . 17518 1 500 . 1 1 46 46 ALA H H 1 9.91 0.004 . 1 . . . A 465 ALA H . 17518 1 501 . 1 1 46 46 ALA HA H 1 5.337 0.007 . 1 . . . A 465 ALA HA . 17518 1 502 . 1 1 46 46 ALA HB1 H 1 1.449 0.006 . 1 . . . A 465 ALA HB1 . 17518 1 503 . 1 1 46 46 ALA HB2 H 1 1.449 0.006 . 1 . . . A 465 ALA HB2 . 17518 1 504 . 1 1 46 46 ALA HB3 H 1 1.449 0.006 . 1 . . . A 465 ALA HB3 . 17518 1 505 . 1 1 46 46 ALA C C 13 176.129 0 . 1 . . . A 465 ALA C . 17518 1 506 . 1 1 46 46 ALA CA C 13 50.456 0.071 . 1 . . . A 465 ALA CA . 17518 1 507 . 1 1 46 46 ALA CB C 13 24.346 0.048 . 1 . . . A 465 ALA CB . 17518 1 508 . 1 1 46 46 ALA N N 15 126.206 0.024 . 1 . . . A 465 ALA N . 17518 1 509 . 1 1 47 47 LYS H H 1 9.373 0.006 . 1 . . . A 466 LYS H . 17518 1 510 . 1 1 47 47 LYS HA H 1 5.672 0.007 . 1 . . . A 466 LYS HA . 17518 1 511 . 1 1 47 47 LYS HB2 H 1 1.139 0.005 . 1 . . . A 466 LYS HB2 . 17518 1 512 . 1 1 47 47 LYS HB3 H 1 1.073 0.008 . 1 . . . A 466 LYS HB3 . 17518 1 513 . 1 1 47 47 LYS HG2 H 1 0.794 0.003 . 1 . . . A 466 LYS HG2 . 17518 1 514 . 1 1 47 47 LYS HG3 H 1 0.528 0.005 . 1 . . . A 466 LYS HG3 . 17518 1 515 . 1 1 47 47 LYS HD2 H 1 1.295 0.004 . 1 . . . A 466 LYS HD2 . 17518 1 516 . 1 1 47 47 LYS HD3 H 1 1.139 0.003 . 1 . . . A 466 LYS HD3 . 17518 1 517 . 1 1 47 47 LYS HE2 H 1 2.655 0.002 . 1 . . . A 466 LYS HE2 . 17518 1 518 . 1 1 47 47 LYS HE3 H 1 2.468 0.002 . 1 . . . A 466 LYS HE3 . 17518 1 519 . 1 1 47 47 LYS C C 13 173.88 0 . 1 . . . A 466 LYS C . 17518 1 520 . 1 1 47 47 LYS CA C 13 55.406 0.076 . 1 . . . A 466 LYS CA . 17518 1 521 . 1 1 47 47 LYS CB C 13 37.16 0.037 . 1 . . . A 466 LYS CB . 17518 1 522 . 1 1 47 47 LYS CG C 13 23.9 0.024 . 1 . . . A 466 LYS CG . 17518 1 523 . 1 1 47 47 LYS CD C 13 30.559 0.033 . 1 . . . A 466 LYS CD . 17518 1 524 . 1 1 47 47 LYS CE C 13 41.785 0.018 . 1 . . . A 466 LYS CE . 17518 1 525 . 1 1 47 47 LYS N N 15 120.226 0.031 . 1 . . . A 466 LYS N . 17518 1 526 . 1 1 48 48 ILE H H 1 8.085 0.002 . 1 . . . A 467 ILE H . 17518 1 527 . 1 1 48 48 ILE HA H 1 4.403 0.004 . 1 . . . A 467 ILE HA . 17518 1 528 . 1 1 48 48 ILE HB H 1 1.677 0.006 . 1 . . . A 467 ILE HB . 17518 1 529 . 1 1 48 48 ILE HG12 H 1 0.927 0.01 . 1 . . . A 467 ILE HG12 . 17518 1 530 . 1 1 48 48 ILE HG13 H 1 1.602 0.004 . 1 . . . A 467 ILE HG13 . 17518 1 531 . 1 1 48 48 ILE HG21 H 1 0.627 0.005 . 1 . . . A 467 ILE HG21 . 17518 1 532 . 1 1 48 48 ILE HG22 H 1 0.627 0.005 . 1 . . . A 467 ILE HG22 . 17518 1 533 . 1 1 48 48 ILE HG23 H 1 0.627 0.005 . 1 . . . A 467 ILE HG23 . 17518 1 534 . 1 1 48 48 ILE HD11 H 1 0.785 0.004 . 1 . . . A 467 ILE HD11 . 17518 1 535 . 1 1 48 48 ILE HD12 H 1 0.785 0.004 . 1 . . . A 467 ILE HD12 . 17518 1 536 . 1 1 48 48 ILE HD13 H 1 0.785 0.004 . 1 . . . A 467 ILE HD13 . 17518 1 537 . 1 1 48 48 ILE C C 13 171.247 0 . 1 . . . A 467 ILE C . 17518 1 538 . 1 1 48 48 ILE CA C 13 60.382 0.038 . 1 . . . A 467 ILE CA . 17518 1 539 . 1 1 48 48 ILE CB C 13 42.534 0.05 . 1 . . . A 467 ILE CB . 17518 1 540 . 1 1 48 48 ILE CG1 C 13 29.551 0.016 . 1 . . . A 467 ILE CG1 . 17518 1 541 . 1 1 48 48 ILE CG2 C 13 16.505 0.059 . 1 . . . A 467 ILE CG2 . 17518 1 542 . 1 1 48 48 ILE CD1 C 13 15.271 0.027 . 1 . . . A 467 ILE CD1 . 17518 1 543 . 1 1 48 48 ILE N N 15 120.505 0.043 . 1 . . . A 467 ILE N . 17518 1 544 . 1 1 49 49 THR H H 1 7.954 0.01 . 1 . . . A 468 THR H . 17518 1 545 . 1 1 49 49 THR HA H 1 5.301 0.006 . 1 . . . A 468 THR HA . 17518 1 546 . 1 1 49 49 THR HB H 1 3.621 0.003 . 1 . . . A 468 THR HB . 17518 1 547 . 1 1 49 49 THR HG21 H 1 0.925 0.003 . 1 . . . A 468 THR HG21 . 17518 1 548 . 1 1 49 49 THR HG22 H 1 0.925 0.003 . 1 . . . A 468 THR HG22 . 17518 1 549 . 1 1 49 49 THR HG23 H 1 0.925 0.003 . 1 . . . A 468 THR HG23 . 17518 1 550 . 1 1 49 49 THR C C 13 173.694 0 . 1 . . . A 468 THR C . 17518 1 551 . 1 1 49 49 THR CA C 13 61.871 0.072 . 1 . . . A 468 THR CA . 17518 1 552 . 1 1 49 49 THR CB C 13 70.649 0.049 . 1 . . . A 468 THR CB . 17518 1 553 . 1 1 49 49 THR CG2 C 13 21.634 0.035 . 1 . . . A 468 THR CG2 . 17518 1 554 . 1 1 49 49 THR N N 15 122.247 0.019 . 1 . . . A 468 THR N . 17518 1 555 . 1 1 50 50 VAL H H 1 9.242 0.004 . 1 . . . A 469 VAL H . 17518 1 556 . 1 1 50 50 VAL HA H 1 4.111 0.006 . 1 . . . A 469 VAL HA . 17518 1 557 . 1 1 50 50 VAL HB H 1 1.436 0.007 . 1 . . . A 469 VAL HB . 17518 1 558 . 1 1 50 50 VAL HG11 H 1 0.382 0.006 . 1 . . . A 469 VAL HG11 . 17518 1 559 . 1 1 50 50 VAL HG12 H 1 0.382 0.006 . 1 . . . A 469 VAL HG12 . 17518 1 560 . 1 1 50 50 VAL HG13 H 1 0.382 0.006 . 1 . . . A 469 VAL HG13 . 17518 1 561 . 1 1 50 50 VAL HG21 H 1 0.129 0.007 . 1 . . . A 469 VAL HG21 . 17518 1 562 . 1 1 50 50 VAL HG22 H 1 0.129 0.007 . 1 . . . A 469 VAL HG22 . 17518 1 563 . 1 1 50 50 VAL HG23 H 1 0.129 0.007 . 1 . . . A 469 VAL HG23 . 17518 1 564 . 1 1 50 50 VAL C C 13 173.826 0 . 1 . . . A 469 VAL C . 17518 1 565 . 1 1 50 50 VAL CA C 13 60.199 0.042 . 1 . . . A 469 VAL CA . 17518 1 566 . 1 1 50 50 VAL CB C 13 35.049 0.05 . 1 . . . A 469 VAL CB . 17518 1 567 . 1 1 50 50 VAL CG1 C 13 21.535 0.024 . 1 . . . A 469 VAL CG1 . 17518 1 568 . 1 1 50 50 VAL CG2 C 13 19.916 0.04 . 1 . . . A 469 VAL CG2 . 17518 1 569 . 1 1 50 50 VAL N N 15 126.076 0.05 . 1 . . . A 469 VAL N . 17518 1 570 . 1 1 51 51 ASP H H 1 8.476 0.007 . 1 . . . A 470 ASP H . 17518 1 571 . 1 1 51 51 ASP HA H 1 4.913 0.005 . 1 . . . A 470 ASP HA . 17518 1 572 . 1 1 51 51 ASP HB2 H 1 2.853 0.007 . 1 . . . A 470 ASP HB2 . 17518 1 573 . 1 1 51 51 ASP HB3 H 1 2.219 0.005 . 1 . . . A 470 ASP HB3 . 17518 1 574 . 1 1 51 51 ASP C C 13 177.013 0 . 1 . . . A 470 ASP C . 17518 1 575 . 1 1 51 51 ASP CA C 13 53.014 0.019 . 1 . . . A 470 ASP CA . 17518 1 576 . 1 1 51 51 ASP CB C 13 41.919 0.01 . 1 . . . A 470 ASP CB . 17518 1 577 . 1 1 51 51 ASP CG C 13 179.178 0.005 . 1 . . . A 470 ASP CG . 17518 1 578 . 1 1 51 51 ASP N N 15 126.346 0.021 . 1 . . . A 470 ASP N . 17518 1 579 . 1 1 52 52 ILE H H 1 8.728 0.006 . 1 . . . A 471 ILE H . 17518 1 580 . 1 1 52 52 ILE HA H 1 4.538 0.004 . 1 . . . A 471 ILE HA . 17518 1 581 . 1 1 52 52 ILE HB H 1 2.078 0.006 . 1 . . . A 471 ILE HB . 17518 1 582 . 1 1 52 52 ILE HG12 H 1 0.538 0.007 . 1 . . . A 471 ILE HG12 . 17518 1 583 . 1 1 52 52 ILE HG13 H 1 1.187 0.009 . 1 . . . A 471 ILE HG13 . 17518 1 584 . 1 1 52 52 ILE HG21 H 1 0.619 0.007 . 1 . . . A 471 ILE HG21 . 17518 1 585 . 1 1 52 52 ILE HG22 H 1 0.619 0.007 . 1 . . . A 471 ILE HG22 . 17518 1 586 . 1 1 52 52 ILE HG23 H 1 0.619 0.007 . 1 . . . A 471 ILE HG23 . 17518 1 587 . 1 1 52 52 ILE HD11 H 1 0.261 0.006 . 1 . . . A 471 ILE HD11 . 17518 1 588 . 1 1 52 52 ILE HD12 H 1 0.261 0.006 . 1 . . . A 471 ILE HD12 . 17518 1 589 . 1 1 52 52 ILE HD13 H 1 0.261 0.006 . 1 . . . A 471 ILE HD13 . 17518 1 590 . 1 1 52 52 ILE C C 13 176.991 0 . 1 . . . A 471 ILE C . 17518 1 591 . 1 1 52 52 ILE CA C 13 59.992 0.068 . 1 . . . A 471 ILE CA . 17518 1 592 . 1 1 52 52 ILE CB C 13 38.002 0.051 . 1 . . . A 471 ILE CB . 17518 1 593 . 1 1 52 52 ILE CG1 C 13 25.491 0.025 . 1 . . . A 471 ILE CG1 . 17518 1 594 . 1 1 52 52 ILE CG2 C 13 19.662 0.034 . 1 . . . A 471 ILE CG2 . 17518 1 595 . 1 1 52 52 ILE CD1 C 13 14.807 0.027 . 1 . . . A 471 ILE CD1 . 17518 1 596 . 1 1 52 52 ILE N N 15 118.935 0.018 . 1 . . . A 471 ILE N . 17518 1 597 . 1 1 53 53 GLY H H 1 9.078 0.004 . 1 . . . A 472 GLY H . 17518 1 598 . 1 1 53 53 GLY HA2 H 1 3.927 0.006 . 1 . . . A 472 GLY HA2 . 17518 1 599 . 1 1 53 53 GLY HA3 H 1 3.744 0.003 . 1 . . . A 472 GLY HA3 . 17518 1 600 . 1 1 53 53 GLY C C 13 174.971 0 . 1 . . . A 472 GLY C . 17518 1 601 . 1 1 53 53 GLY CA C 13 47.668 0.029 . 1 . . . A 472 GLY CA . 17518 1 602 . 1 1 53 53 GLY N N 15 114.498 0.03 . 1 . . . A 472 GLY N . 17518 1 603 . 1 1 54 54 SER H H 1 8.808 0.007 . 1 . . . A 473 SER H . 17518 1 604 . 1 1 54 54 SER HA H 1 4.426 0.004 . 1 . . . A 473 SER HA . 17518 1 605 . 1 1 54 54 SER HB2 H 1 3.953 0.012 . 1 . . . A 473 SER HB2 . 17518 1 606 . 1 1 54 54 SER HB3 H 1 3.82 0.004 . 1 . . . A 473 SER HB3 . 17518 1 607 . 1 1 54 54 SER C C 13 174.975 0 . 1 . . . A 473 SER C . 17518 1 608 . 1 1 54 54 SER CA C 13 58.417 0.064 . 1 . . . A 473 SER CA . 17518 1 609 . 1 1 54 54 SER CB C 13 63.632 0.028 . 1 . . . A 473 SER CB . 17518 1 610 . 1 1 54 54 SER N N 15 120.546 0.014 . 1 . . . A 473 SER N . 17518 1 611 . 1 1 55 55 ALA H H 1 7.738 0.003 . 1 . . . A 474 ALA H . 17518 1 612 . 1 1 55 55 ALA HA H 1 4.366 0.004 . 1 . . . A 474 ALA HA . 17518 1 613 . 1 1 55 55 ALA HB1 H 1 1.683 0.007 . 1 . . . A 474 ALA HB1 . 17518 1 614 . 1 1 55 55 ALA HB2 H 1 1.683 0.007 . 1 . . . A 474 ALA HB2 . 17518 1 615 . 1 1 55 55 ALA HB3 H 1 1.683 0.007 . 1 . . . A 474 ALA HB3 . 17518 1 616 . 1 1 55 55 ALA C C 13 176.116 0 . 1 . . . A 474 ALA C . 17518 1 617 . 1 1 55 55 ALA CA C 13 52.372 0.018 . 1 . . . A 474 ALA CA . 17518 1 618 . 1 1 55 55 ALA CB C 13 20.315 0.005 . 1 . . . A 474 ALA CB . 17518 1 619 . 1 1 55 55 ALA N N 15 125.402 0.028 . 1 . . . A 474 ALA N . 17518 1 620 . 1 1 56 56 SER H H 1 8.756 0.01 . 1 . . . A 475 SER H . 17518 1 621 . 1 1 56 56 SER HA H 1 4.539 0.003 . 1 . . . A 475 SER HA . 17518 1 622 . 1 1 56 56 SER HB2 H 1 3.871 0.003 . 1 . . . A 475 SER HB2 . 17518 1 623 . 1 1 56 56 SER HB3 H 1 3.783 0.005 . 1 . . . A 475 SER HB3 . 17518 1 624 . 1 1 56 56 SER C C 13 173.662 0 . 1 . . . A 475 SER C . 17518 1 625 . 1 1 56 56 SER CA C 13 58.121 0.03 . 1 . . . A 475 SER CA . 17518 1 626 . 1 1 56 56 SER CB C 13 65 0.039 . 1 . . . A 475 SER CB . 17518 1 627 . 1 1 56 56 SER N N 15 110.149 0.027 . 1 . . . A 475 SER N . 17518 1 628 . 1 1 57 57 GLN H H 1 7.139 0.001 . 1 . . . A 476 GLN H . 17518 1 629 . 1 1 57 57 GLN HA H 1 5.058 0.014 . 1 . . . A 476 GLN HA . 17518 1 630 . 1 1 57 57 GLN HB2 H 1 1.98 0.006 . 1 . . . A 476 GLN HB2 . 17518 1 631 . 1 1 57 57 GLN HB3 H 1 1.794 0.007 . 1 . . . A 476 GLN HB3 . 17518 1 632 . 1 1 57 57 GLN HG2 H 1 2.157 0.006 . 2 . . . A 476 GLN HG2 . 17518 1 633 . 1 1 57 57 GLN HE21 H 1 7.274 0.004 . 1 . . . A 476 GLN HE21 . 17518 1 634 . 1 1 57 57 GLN HE22 H 1 6.686 0.004 . 1 . . . A 476 GLN HE22 . 17518 1 635 . 1 1 57 57 GLN C C 13 173.042 0 . 1 . . . A 476 GLN C . 17518 1 636 . 1 1 57 57 GLN CA C 13 54.224 0.021 . 1 . . . A 476 GLN CA . 17518 1 637 . 1 1 57 57 GLN CB C 13 33.609 0.048 . 1 . . . A 476 GLN CB . 17518 1 638 . 1 1 57 57 GLN CG C 13 33.875 0.026 . 1 . . . A 476 GLN CG . 17518 1 639 . 1 1 57 57 GLN CD C 13 180.474 0.026 . 1 . . . A 476 GLN CD . 17518 1 640 . 1 1 57 57 GLN N N 15 117.023 0.017 . 1 . . . A 476 GLN N . 17518 1 641 . 1 1 57 57 GLN NE2 N 15 111.335 0.154 . 1 . . . A 476 GLN NE2 . 17518 1 642 . 1 1 58 58 LEU H H 1 9.149 0.007 . 1 . . . A 477 LEU H . 17518 1 643 . 1 1 58 58 LEU HA H 1 4.746 0.007 . 1 . . . A 477 LEU HA . 17518 1 644 . 1 1 58 58 LEU HB2 H 1 1.641 0.007 . 1 . . . A 477 LEU HB2 . 17518 1 645 . 1 1 58 58 LEU HB3 H 1 1.284 0.003 . 1 . . . A 477 LEU HB3 . 17518 1 646 . 1 1 58 58 LEU HG H 1 1.498 0.004 . 1 . . . A 477 LEU HG . 17518 1 647 . 1 1 58 58 LEU HD11 H 1 0.564 0.007 . 1 . . . A 477 LEU HD11 . 17518 1 648 . 1 1 58 58 LEU HD12 H 1 0.564 0.007 . 1 . . . A 477 LEU HD12 . 17518 1 649 . 1 1 58 58 LEU HD13 H 1 0.564 0.007 . 1 . . . A 477 LEU HD13 . 17518 1 650 . 1 1 58 58 LEU HD21 H 1 0.299 0.01 . 1 . . . A 477 LEU HD21 . 17518 1 651 . 1 1 58 58 LEU HD22 H 1 0.299 0.01 . 1 . . . A 477 LEU HD22 . 17518 1 652 . 1 1 58 58 LEU HD23 H 1 0.299 0.01 . 1 . . . A 477 LEU HD23 . 17518 1 653 . 1 1 58 58 LEU C C 13 173.922 0 . 1 . . . A 477 LEU C . 17518 1 654 . 1 1 58 58 LEU CA C 13 53.508 0.09 . 1 . . . A 477 LEU CA . 17518 1 655 . 1 1 58 58 LEU CB C 13 47.28 0.027 . 1 . . . A 477 LEU CB . 17518 1 656 . 1 1 58 58 LEU CG C 13 26.316 0.044 . 1 . . . A 477 LEU CG . 17518 1 657 . 1 1 58 58 LEU CD1 C 13 26.071 0.031 . 1 . . . A 477 LEU CD1 . 17518 1 658 . 1 1 58 58 LEU CD2 C 13 27.267 0.025 . 1 . . . A 477 LEU CD2 . 17518 1 659 . 1 1 58 58 LEU N N 15 121.156 0.018 . 1 . . . A 477 LEU N . 17518 1 660 . 1 1 59 59 GLU H H 1 8.558 0.004 . 1 . . . A 478 GLU H . 17518 1 661 . 1 1 59 59 GLU HA H 1 5.356 0.005 . 1 . . . A 478 GLU HA . 17518 1 662 . 1 1 59 59 GLU HB2 H 1 1.747 0.004 . 2 . . . A 478 GLU HB2 . 17518 1 663 . 1 1 59 59 GLU HG2 H 1 2.169 0.005 . 2 . . . A 478 GLU HG2 . 17518 1 664 . 1 1 59 59 GLU C C 13 175.481 0 . 1 . . . A 478 GLU C . 17518 1 665 . 1 1 59 59 GLU CA C 13 54.597 0.053 . 1 . . . A 478 GLU CA . 17518 1 666 . 1 1 59 59 GLU CB C 13 32.759 0.062 . 1 . . . A 478 GLU CB . 17518 1 667 . 1 1 59 59 GLU CG C 13 36.778 0.014 . 1 . . . A 478 GLU CG . 17518 1 668 . 1 1 59 59 GLU N N 15 126.375 0.021 . 1 . . . A 478 GLU N . 17518 1 669 . 1 1 60 60 ALA H H 1 9.614 0.004 . 1 . . . A 479 ALA H . 17518 1 670 . 1 1 60 60 ALA HA H 1 5.792 0.003 . 1 . . . A 479 ALA HA . 17518 1 671 . 1 1 60 60 ALA HB1 H 1 1.122 0.005 . 1 . . . A 479 ALA HB1 . 17518 1 672 . 1 1 60 60 ALA HB2 H 1 1.122 0.005 . 1 . . . A 479 ALA HB2 . 17518 1 673 . 1 1 60 60 ALA HB3 H 1 1.122 0.005 . 1 . . . A 479 ALA HB3 . 17518 1 674 . 1 1 60 60 ALA C C 13 174.955 0 . 1 . . . A 479 ALA C . 17518 1 675 . 1 1 60 60 ALA CA C 13 51.141 0.073 . 1 . . . A 479 ALA CA . 17518 1 676 . 1 1 60 60 ALA CB C 13 25.094 0.046 . 1 . . . A 479 ALA CB . 17518 1 677 . 1 1 60 60 ALA N N 15 124.321 0.025 . 1 . . . A 479 ALA N . 17518 1 678 . 1 1 61 61 ALA H H 1 9.346 0.003 . 1 . . . A 480 ALA H . 17518 1 679 . 1 1 61 61 ALA HA H 1 4.794 0.004 . 1 . . . A 480 ALA HA . 17518 1 680 . 1 1 61 61 ALA HB1 H 1 1.771 0.005 . 1 . . . A 480 ALA HB1 . 17518 1 681 . 1 1 61 61 ALA HB2 H 1 1.771 0.005 . 1 . . . A 480 ALA HB2 . 17518 1 682 . 1 1 61 61 ALA HB3 H 1 1.771 0.005 . 1 . . . A 480 ALA HB3 . 17518 1 683 . 1 1 61 61 ALA C C 13 174.782 0 . 1 . . . A 480 ALA C . 17518 1 684 . 1 1 61 61 ALA CA C 13 51.257 0.079 . 1 . . . A 480 ALA CA . 17518 1 685 . 1 1 61 61 ALA CB C 13 23.214 0.095 . 1 . . . A 480 ALA CB . 17518 1 686 . 1 1 61 61 ALA N N 15 120.954 0.027 . 1 . . . A 480 ALA N . 17518 1 687 . 1 1 62 62 PHE H H 1 8.351 0.005 . 1 . . . A 481 PHE H . 17518 1 688 . 1 1 62 62 PHE HA H 1 5.884 0.008 . 1 . . . A 481 PHE HA . 17518 1 689 . 1 1 62 62 PHE HB2 H 1 3.199 0.008 . 1 . . . A 481 PHE HB2 . 17518 1 690 . 1 1 62 62 PHE HB3 H 1 3.156 0.011 . 1 . . . A 481 PHE HB3 . 17518 1 691 . 1 1 62 62 PHE HD1 H 1 6.949 0.01 . 2 . . . A 481 PHE HD1 . 17518 1 692 . 1 1 62 62 PHE HE1 H 1 6.311 0.002 . 2 . . . A 481 PHE HE1 . 17518 1 693 . 1 1 62 62 PHE HZ H 1 6.664 0.002 . 1 . . . A 481 PHE HZ . 17518 1 694 . 1 1 62 62 PHE C C 13 175.044 0 . 1 . . . A 481 PHE C . 17518 1 695 . 1 1 62 62 PHE CA C 13 56.588 0.023 . 1 . . . A 481 PHE CA . 17518 1 696 . 1 1 62 62 PHE CB C 13 43.263 0.062 . 1 . . . A 481 PHE CB . 17518 1 697 . 1 1 62 62 PHE CD1 C 13 131.585 0.015 . 3 . . . A 481 PHE CD1 . 17518 1 698 . 1 1 62 62 PHE CE1 C 13 129.418 0.017 . . . . . A 481 PHE CE1 . 17518 1 699 . 1 1 62 62 PHE CZ C 13 126.504 0.007 . 1 . . . A 481 PHE CZ . 17518 1 700 . 1 1 62 62 PHE N N 15 117.021 0.06 . 1 . . . A 481 PHE N . 17518 1 701 . 1 1 63 63 ASN H H 1 9.077 0.003 . 1 . . . A 482 ASN H . 17518 1 702 . 1 1 63 63 ASN HA H 1 5.108 0.007 . 1 . . . A 482 ASN HA . 17518 1 703 . 1 1 63 63 ASN HB2 H 1 1.076 0.001 . 1 . . . A 482 ASN HB2 . 17518 1 704 . 1 1 63 63 ASN HB3 H 1 1.033 0.005 . 1 . . . A 482 ASN HB3 . 17518 1 705 . 1 1 63 63 ASN HD21 H 1 7.891 0.002 . 1 . . . A 482 ASN HD21 . 17518 1 706 . 1 1 63 63 ASN HD22 H 1 3.958 0.003 . 1 . . . A 482 ASN HD22 . 17518 1 707 . 1 1 63 63 ASN C C 13 172.088 0 . 1 . . . A 482 ASN C . 17518 1 708 . 1 1 63 63 ASN CA C 13 53.71 0.016 . 1 . . . A 482 ASN CA . 17518 1 709 . 1 1 63 63 ASN CB C 13 41.348 0.041 . 1 . . . A 482 ASN CB . 17518 1 710 . 1 1 63 63 ASN CG C 13 176.411 0 . 1 . . . A 482 ASN CG . 17518 1 711 . 1 1 63 63 ASN N N 15 116.362 0.057 . 1 . . . A 482 ASN N . 17518 1 712 . 1 1 63 63 ASN ND2 N 15 115.974 0.028 . 1 . . . A 482 ASN ND2 . 17518 1 713 . 1 1 64 64 ASP H H 1 7.482 0.006 . 1 . . . A 483 ASP H . 17518 1 714 . 1 1 64 64 ASP HA H 1 4.184 0.004 . 1 . . . A 483 ASP HA . 17518 1 715 . 1 1 64 64 ASP HB2 H 1 2.819 0.006 . 1 . . . A 483 ASP HB2 . 17518 1 716 . 1 1 64 64 ASP HB3 H 1 1.107 0.009 . 1 . . . A 483 ASP HB3 . 17518 1 717 . 1 1 64 64 ASP C C 13 177.271 0 . 1 . . . A 483 ASP C . 17518 1 718 . 1 1 64 64 ASP CA C 13 52.301 0.022 . 1 . . . A 483 ASP CA . 17518 1 719 . 1 1 64 64 ASP CB C 13 40.887 0.03 . 1 . . . A 483 ASP CB . 17518 1 720 . 1 1 64 64 ASP CG C 13 181.177 0.518 . 1 . . . A 483 ASP CG . 17518 1 721 . 1 1 64 64 ASP N N 15 118.002 0.021 . 1 . . . A 483 ASP N . 17518 1 722 . 1 1 65 65 GLY H H 1 8.696 0.003 . 1 . . . A 484 GLY H . 17518 1 723 . 1 1 65 65 GLY HA2 H 1 3.551 0.002 . 1 . . . A 484 GLY HA2 . 17518 1 724 . 1 1 65 65 GLY HA3 H 1 2.416 0.004 . 1 . . . A 484 GLY HA3 . 17518 1 725 . 1 1 65 65 GLY C C 13 173.156 0 . 1 . . . A 484 GLY C . 17518 1 726 . 1 1 65 65 GLY CA C 13 45.615 0.002 . 1 . . . A 484 GLY CA . 17518 1 727 . 1 1 65 65 GLY N N 15 110.602 0.048 . 1 . . . A 484 GLY N . 17518 1 728 . 1 1 66 66 ASN H H 1 8.371 0.003 . 1 . . . A 485 ASN H . 17518 1 729 . 1 1 66 66 ASN HA H 1 4.704 0.001 . 1 . . . A 485 ASN HA . 17518 1 730 . 1 1 66 66 ASN HB2 H 1 2.701 0.006 . 1 . . . A 485 ASN HB2 . 17518 1 731 . 1 1 66 66 ASN HB3 H 1 2.251 0.003 . 1 . . . A 485 ASN HB3 . 17518 1 732 . 1 1 66 66 ASN HD21 H 1 7.186 0.004 . 1 . . . A 485 ASN HD21 . 17518 1 733 . 1 1 66 66 ASN HD22 H 1 6.675 0.003 . 1 . . . A 485 ASN HD22 . 17518 1 734 . 1 1 66 66 ASN C C 13 174.442 0 . 1 . . . A 485 ASN C . 17518 1 735 . 1 1 66 66 ASN CA C 13 52.311 0.09 . 1 . . . A 485 ASN CA . 17518 1 736 . 1 1 66 66 ASN CB C 13 39.491 0.031 . 1 . . . A 485 ASN CB . 17518 1 737 . 1 1 66 66 ASN CG C 13 177.833 0.02 . 1 . . . A 485 ASN CG . 17518 1 738 . 1 1 66 66 ASN N N 15 120.867 0.032 . 1 . . . A 485 ASN N . 17518 1 739 . 1 1 66 66 ASN ND2 N 15 112.696 0.16 . 1 . . . A 485 ASN ND2 . 17518 1 740 . 1 1 67 67 ASN H H 1 8.7 0.004 . 1 . . . A 486 ASN H . 17518 1 741 . 1 1 67 67 ASN HA H 1 4.178 0.002 . 1 . . . A 486 ASN HA . 17518 1 742 . 1 1 67 67 ASN HB2 H 1 3.081 0.006 . 1 . . . A 486 ASN HB2 . 17518 1 743 . 1 1 67 67 ASN HB3 H 1 2.686 0.005 . 1 . . . A 486 ASN HB3 . 17518 1 744 . 1 1 67 67 ASN HD21 H 1 7.521 0.013 . 1 . . . A 486 ASN HD21 . 17518 1 745 . 1 1 67 67 ASN HD22 H 1 6.822 0.002 . 1 . . . A 486 ASN HD22 . 17518 1 746 . 1 1 67 67 ASN C C 13 173.845 0 . 1 . . . A 486 ASN C . 17518 1 747 . 1 1 67 67 ASN CA C 13 54.486 0.014 . 1 . . . A 486 ASN CA . 17518 1 748 . 1 1 67 67 ASN CB C 13 38.267 0.014 . 1 . . . A 486 ASN CB . 17518 1 749 . 1 1 67 67 ASN CG C 13 178.701 0.017 . 1 . . . A 486 ASN CG . 17518 1 750 . 1 1 67 67 ASN N N 15 113.518 0.028 . 1 . . . A 486 ASN N . 17518 1 751 . 1 1 67 67 ASN ND2 N 15 113.583 0.177 . 1 . . . A 486 ASN ND2 . 17518 1 752 . 1 1 68 68 ASN H H 1 7.975 0.004 . 1 . . . A 487 ASN H . 17518 1 753 . 1 1 68 68 ASN HA H 1 5.058 0.005 . 1 . . . A 487 ASN HA . 17518 1 754 . 1 1 68 68 ASN HB2 H 1 2.473 0.005 . 1 . . . A 487 ASN HB2 . 17518 1 755 . 1 1 68 68 ASN HB3 H 1 2.382 0.007 . 1 . . . A 487 ASN HB3 . 17518 1 756 . 1 1 68 68 ASN HD21 H 1 8.714 0.004 . 1 . . . A 487 ASN HD21 . 17518 1 757 . 1 1 68 68 ASN HD22 H 1 6.819 0.003 . 1 . . . A 487 ASN HD22 . 17518 1 758 . 1 1 68 68 ASN C C 13 173.449 0 . 1 . . . A 487 ASN C . 17518 1 759 . 1 1 68 68 ASN CA C 13 53.268 0.012 . 1 . . . A 487 ASN CA . 17518 1 760 . 1 1 68 68 ASN CB C 13 38.813 0.03 . 1 . . . A 487 ASN CB . 17518 1 761 . 1 1 68 68 ASN CG C 13 177.518 0.011 . 1 . . . A 487 ASN CG . 17518 1 762 . 1 1 68 68 ASN N N 15 118.464 0.015 . 1 . . . A 487 ASN N . 17518 1 763 . 1 1 68 68 ASN ND2 N 15 117.942 0.181 . 1 . . . A 487 ASN ND2 . 17518 1 764 . 1 1 69 69 TRP H H 1 8.771 0.005 . 1 . . . A 488 TRP H . 17518 1 765 . 1 1 69 69 TRP HA H 1 4.822 0.007 . 1 . . . A 488 TRP HA . 17518 1 766 . 1 1 69 69 TRP HB2 H 1 3.1 0.011 . 2 . . . A 488 TRP HB2 . 17518 1 767 . 1 1 69 69 TRP HD1 H 1 6.999 0.015 . 1 . . . A 488 TRP HD1 . 17518 1 768 . 1 1 69 69 TRP HE1 H 1 10.031 0.002 . 1 . . . A 488 TRP HE1 . 17518 1 769 . 1 1 69 69 TRP HE3 H 1 7.349 0.007 . 1 . . . A 488 TRP HE3 . 17518 1 770 . 1 1 69 69 TRP HZ2 H 1 7.044 0.007 . 1 . . . A 488 TRP HZ2 . 17518 1 771 . 1 1 69 69 TRP HZ3 H 1 6.741 0.004 . 1 . . . A 488 TRP HZ3 . 17518 1 772 . 1 1 69 69 TRP HH2 H 1 5.973 0.003 . 1 . . . A 488 TRP HH2 . 17518 1 773 . 1 1 69 69 TRP C C 13 176.268 0 . 1 . . . A 488 TRP C . 17518 1 774 . 1 1 69 69 TRP CA C 13 57.178 0.062 . 1 . . . A 488 TRP CA . 17518 1 775 . 1 1 69 69 TRP CB C 13 32.331 0.063 . 1 . . . A 488 TRP CB . 17518 1 776 . 1 1 69 69 TRP CG C 13 111.526 0 . 1 . . . A 488 TRP CG . 17518 1 777 . 1 1 69 69 TRP CD1 C 13 126.448 0.051 . 1 . . . A 488 TRP CD1 . 17518 1 778 . 1 1 69 69 TRP CE2 C 13 137.803 0 . 1 . . . A 488 TRP CE2 . 17518 1 779 . 1 1 69 69 TRP CE3 C 13 119.663 0.059 . 1 . . . A 488 TRP CE3 . 17518 1 780 . 1 1 69 69 TRP CZ2 C 13 114.055 0.016 . 1 . . . A 488 TRP CZ2 . 17518 1 781 . 1 1 69 69 TRP CZ3 C 13 119.131 0.038 . 1 . . . A 488 TRP CZ3 . 17518 1 782 . 1 1 69 69 TRP CH2 C 13 122.586 0.03 . 1 . . . A 488 TRP CH2 . 17518 1 783 . 1 1 69 69 TRP N N 15 120.817 0.043 . 1 . . . A 488 TRP N . 17518 1 784 . 1 1 69 69 TRP NE1 N 15 130.994 0.02 . 1 . . . A 488 TRP NE1 . 17518 1 785 . 1 1 70 70 ASP H H 1 9.795 0.004 . 1 . . . A 489 ASP H . 17518 1 786 . 1 1 70 70 ASP HA H 1 5.196 0.004 . 1 . . . A 489 ASP HA . 17518 1 787 . 1 1 70 70 ASP HB2 H 1 3.372 0.005 . 1 . . . A 489 ASP HB2 . 17518 1 788 . 1 1 70 70 ASP HB3 H 1 3.049 0.009 . 1 . . . A 489 ASP HB3 . 17518 1 789 . 1 1 70 70 ASP C C 13 175.441 0 . 1 . . . A 489 ASP C . 17518 1 790 . 1 1 70 70 ASP CA C 13 53.345 0.04 . 1 . . . A 489 ASP CA . 17518 1 791 . 1 1 70 70 ASP CB C 13 41.968 0.041 . 1 . . . A 489 ASP CB . 17518 1 792 . 1 1 70 70 ASP N N 15 122.179 0.04 . 1 . . . A 489 ASP N . 17518 1 793 . 1 1 71 71 SER H H 1 9.238 0.017 . 1 . . . A 490 SER H . 17518 1 794 . 1 1 71 71 SER HA H 1 5.084 0.004 . 1 . . . A 490 SER HA . 17518 1 795 . 1 1 71 71 SER HB2 H 1 4.405 0.006 . 1 . . . A 490 SER HB2 . 17518 1 796 . 1 1 71 71 SER HB3 H 1 3.67 0.004 . 1 . . . A 490 SER HB3 . 17518 1 797 . 1 1 71 71 SER C C 13 175.277 0 . 1 . . . A 490 SER C . 17518 1 798 . 1 1 71 71 SER CA C 13 56.099 0.016 . 1 . . . A 490 SER CA . 17518 1 799 . 1 1 71 71 SER CB C 13 66.55 0.023 . 1 . . . A 490 SER CB . 17518 1 800 . 1 1 71 71 SER N N 15 117.314 0.028 . 1 . . . A 490 SER N . 17518 1 801 . 1 1 72 72 ASN H H 1 8.536 0.027 . 1 . . . A 491 ASN H . 17518 1 802 . 1 1 72 72 ASN HA H 1 4.367 0.008 . 1 . . . A 491 ASN HA . 17518 1 803 . 1 1 72 72 ASN HB2 H 1 2.808 0.007 . 1 . . . A 491 ASN HB2 . 17518 1 804 . 1 1 72 72 ASN HB3 H 1 1.133 0.025 . 1 . . . A 491 ASN HB3 . 17518 1 805 . 1 1 72 72 ASN HD21 H 1 7.025 0.004 . 1 . . . A 491 ASN HD21 . 17518 1 806 . 1 1 72 72 ASN HD22 H 1 6.669 0.003 . 1 . . . A 491 ASN HD22 . 17518 1 807 . 1 1 72 72 ASN C C 13 176.857 0 . 1 . . . A 491 ASN C . 17518 1 808 . 1 1 72 72 ASN CA C 13 53.192 0.025 . 1 . . . A 491 ASN CA . 17518 1 809 . 1 1 72 72 ASN CB C 13 35.574 0.028 . 1 . . . A 491 ASN CB . 17518 1 810 . 1 1 72 72 ASN CG C 13 177.418 0.013 . 1 . . . A 491 ASN CG . 17518 1 811 . 1 1 72 72 ASN N N 15 122.911 0.057 . 1 . . . A 491 ASN N . 17518 1 812 . 1 1 72 72 ASN ND2 N 15 107.407 0.093 . 1 . . . A 491 ASN ND2 . 17518 1 813 . 1 1 73 73 ASN H H 1 9.086 0.002 . 1 . . . A 492 ASN H . 17518 1 814 . 1 1 73 73 ASN HA H 1 4.385 0.002 . 1 . . . A 492 ASN HA . 17518 1 815 . 1 1 73 73 ASN HB2 H 1 2.979 0.005 . 1 . . . A 492 ASN HB2 . 17518 1 816 . 1 1 73 73 ASN HB3 H 1 2.743 0.001 . 1 . . . A 492 ASN HB3 . 17518 1 817 . 1 1 73 73 ASN HD21 H 1 7.571 0.006 . 1 . . . A 492 ASN HD21 . 17518 1 818 . 1 1 73 73 ASN HD22 H 1 6.973 0.006 . 1 . . . A 492 ASN HD22 . 17518 1 819 . 1 1 73 73 ASN C C 13 176.335 0 . 1 . . . A 492 ASN C . 17518 1 820 . 1 1 73 73 ASN CA C 13 54.488 0.033 . 1 . . . A 492 ASN CA . 17518 1 821 . 1 1 73 73 ASN CB C 13 37.331 0.019 . 1 . . . A 492 ASN CB . 17518 1 822 . 1 1 73 73 ASN CG C 13 178.417 0.02 . 1 . . . A 492 ASN CG . 17518 1 823 . 1 1 73 73 ASN N N 15 116.146 0.022 . 1 . . . A 492 ASN N . 17518 1 824 . 1 1 73 73 ASN ND2 N 15 113.205 0.189 . 1 . . . A 492 ASN ND2 . 17518 1 825 . 1 1 74 74 THR H H 1 7.782 0.006 . 1 . . . A 493 THR H . 17518 1 826 . 1 1 74 74 THR HA H 1 3.779 0.007 . 1 . . . A 493 THR HA . 17518 1 827 . 1 1 74 74 THR HB H 1 4.316 0.001 . 1 . . . A 493 THR HB . 17518 1 828 . 1 1 74 74 THR HG21 H 1 1.001 0.002 . 1 . . . A 493 THR HG21 . 17518 1 829 . 1 1 74 74 THR HG22 H 1 1.001 0.002 . 1 . . . A 493 THR HG22 . 17518 1 830 . 1 1 74 74 THR HG23 H 1 1.001 0.002 . 1 . . . A 493 THR HG23 . 17518 1 831 . 1 1 74 74 THR C C 13 173.194 0 . 1 . . . A 493 THR C . 17518 1 832 . 1 1 74 74 THR CA C 13 65.027 0.059 . 1 . . . A 493 THR CA . 17518 1 833 . 1 1 74 74 THR CB C 13 69.73 0.057 . 1 . . . A 493 THR CB . 17518 1 834 . 1 1 74 74 THR CG2 C 13 21.748 0.036 . 1 . . . A 493 THR CG2 . 17518 1 835 . 1 1 74 74 THR N N 15 110.42 0.053 . 1 . . . A 493 THR N . 17518 1 836 . 1 1 75 75 LYS H H 1 7.652 0.002 . 1 . . . A 494 LYS H . 17518 1 837 . 1 1 75 75 LYS HA H 1 4.067 0.003 . 1 . . . A 494 LYS HA . 17518 1 838 . 1 1 75 75 LYS HB2 H 1 1.975 0.005 . 1 . . . A 494 LYS HB2 . 17518 1 839 . 1 1 75 75 LYS HB3 H 1 1.898 0.005 . 1 . . . A 494 LYS HB3 . 17518 1 840 . 1 1 75 75 LYS HG2 H 1 1.485 0.01 . 1 . . . A 494 LYS HG2 . 17518 1 841 . 1 1 75 75 LYS HG3 H 1 1.434 0.007 . 1 . . . A 494 LYS HG3 . 17518 1 842 . 1 1 75 75 LYS HD2 H 1 1.647 0.004 . 2 . . . A 494 LYS HD2 . 17518 1 843 . 1 1 75 75 LYS HE2 H 1 2.972 0.002 . 1 . . . A 494 LYS HE2 . 17518 1 844 . 1 1 75 75 LYS HE3 H 1 2.934 0.003 . 1 . . . A 494 LYS HE3 . 17518 1 845 . 1 1 75 75 LYS C C 13 177.47 0 . 1 . . . A 494 LYS C . 17518 1 846 . 1 1 75 75 LYS CA C 13 58.009 0.039 . 1 . . . A 494 LYS CA . 17518 1 847 . 1 1 75 75 LYS CB C 13 32.586 0.054 . 1 . . . A 494 LYS CB . 17518 1 848 . 1 1 75 75 LYS CG C 13 25.477 0 . 1 . . . A 494 LYS CG . 17518 1 849 . 1 1 75 75 LYS CD C 13 28.722 0.022 . 1 . . . A 494 LYS CD . 17518 1 850 . 1 1 75 75 LYS CE C 13 41.997 0 . 1 . . . A 494 LYS CE . 17518 1 851 . 1 1 75 75 LYS N N 15 121.968 0.023 . 1 . . . A 494 LYS N . 17518 1 852 . 1 1 76 76 ASN H H 1 8.197 0.003 . 1 . . . A 495 ASN H . 17518 1 853 . 1 1 76 76 ASN HA H 1 3.93 0.004 . 1 . . . A 495 ASN HA . 17518 1 854 . 1 1 76 76 ASN HB2 H 1 3.557 0.003 . 1 . . . A 495 ASN HB2 . 17518 1 855 . 1 1 76 76 ASN HB3 H 1 2.804 0.007 . 1 . . . A 495 ASN HB3 . 17518 1 856 . 1 1 76 76 ASN HD21 H 1 8.034 0.001 . 1 . . . A 495 ASN HD21 . 17518 1 857 . 1 1 76 76 ASN HD22 H 1 6.26 0.006 . 1 . . . A 495 ASN HD22 . 17518 1 858 . 1 1 76 76 ASN C C 13 172.085 0 . 1 . . . A 495 ASN C . 17518 1 859 . 1 1 76 76 ASN CA C 13 54.413 0.01 . 1 . . . A 495 ASN CA . 17518 1 860 . 1 1 76 76 ASN CB C 13 39.048 0.04 . 1 . . . A 495 ASN CB . 17518 1 861 . 1 1 76 76 ASN N N 15 108.525 0.06 . 1 . . . A 495 ASN N . 17518 1 862 . 1 1 76 76 ASN ND2 N 15 113.333 0.01 . 1 . . . A 495 ASN ND2 . 17518 1 863 . 1 1 77 77 TYR H H 1 9.133 0.021 . 1 . . . A 496 TYR H . 17518 1 864 . 1 1 77 77 TYR HA H 1 4.793 0.004 . 1 . . . A 496 TYR HA . 17518 1 865 . 1 1 77 77 TYR HB2 H 1 2.76 0.009 . 1 . . . A 496 TYR HB2 . 17518 1 866 . 1 1 77 77 TYR HB3 H 1 2.688 0.005 . 1 . . . A 496 TYR HB3 . 17518 1 867 . 1 1 77 77 TYR HD2 H 1 7.202 0.01 . 2 . . . A 496 TYR HD2 . 17518 1 868 . 1 1 77 77 TYR HE2 H 1 6.889 0.008 . 2 . . . A 496 TYR HE2 . 17518 1 869 . 1 1 77 77 TYR C C 13 175.074 0 . 1 . . . A 496 TYR C . 17518 1 870 . 1 1 77 77 TYR CA C 13 57.671 0.052 . 1 . . . A 496 TYR CA . 17518 1 871 . 1 1 77 77 TYR CB C 13 41.785 0.059 . 1 . . . A 496 TYR CB . 17518 1 872 . 1 1 77 77 TYR CD2 C 13 132.388 0.002 . 3 . . . A 496 TYR CD2 . 17518 1 873 . 1 1 77 77 TYR CE2 C 13 118.052 0.021 . 3 . . . A 496 TYR CE2 . 17518 1 874 . 1 1 77 77 TYR N N 15 118.076 0.068 . 1 . . . A 496 TYR N . 17518 1 875 . 1 1 78 78 SER H H 1 8.204 0.001 . 1 . . . A 497 SER H . 17518 1 876 . 1 1 78 78 SER HA H 1 5.345 0.004 . 1 . . . A 497 SER HA . 17518 1 877 . 1 1 78 78 SER HB2 H 1 3.615 0 . 1 . . . A 497 SER HB2 . 17518 1 878 . 1 1 78 78 SER HB3 H 1 3.57 0.003 . 1 . . . A 497 SER HB3 . 17518 1 879 . 1 1 78 78 SER C C 13 173.13 0 . 1 . . . A 497 SER C . 17518 1 880 . 1 1 78 78 SER CA C 13 57.191 0.035 . 1 . . . A 497 SER CA . 17518 1 881 . 1 1 78 78 SER CB C 13 64.293 0.072 . 1 . . . A 497 SER CB . 17518 1 882 . 1 1 78 78 SER N N 15 116.4 0.03 . 1 . . . A 497 SER N . 17518 1 883 . 1 1 79 79 PHE H H 1 9.054 0.003 . 1 . . . A 498 PHE H . 17518 1 884 . 1 1 79 79 PHE HA H 1 4.81 0.004 . 1 . . . A 498 PHE HA . 17518 1 885 . 1 1 79 79 PHE HB2 H 1 2.986 0.005 . 1 . . . A 498 PHE HB2 . 17518 1 886 . 1 1 79 79 PHE HB3 H 1 2.58 0.007 . 1 . . . A 498 PHE HB3 . 17518 1 887 . 1 1 79 79 PHE HD2 H 1 7.153 0.008 . 2 . . . A 498 PHE HD2 . 17518 1 888 . 1 1 79 79 PHE HE2 H 1 7.094 0.002 . 2 . . . A 498 PHE HE2 . 17518 1 889 . 1 1 79 79 PHE HZ H 1 7.092 0 . 1 . . . A 498 PHE HZ . 17518 1 890 . 1 1 79 79 PHE C C 13 175.275 0 . 1 . . . A 498 PHE C . 17518 1 891 . 1 1 79 79 PHE CA C 13 57.007 0.071 . 1 . . . A 498 PHE CA . 17518 1 892 . 1 1 79 79 PHE CB C 13 42.989 0.033 . 1 . . . A 498 PHE CB . 17518 1 893 . 1 1 79 79 PHE CD2 C 13 131.741 0.034 . 3 . . . A 498 PHE CD2 . 17518 1 894 . 1 1 79 79 PHE CE2 C 13 130.164 0.007 . 3 . . . A 498 PHE CE2 . 17518 1 895 . 1 1 79 79 PHE CZ C 13 127.204 0.007 . 1 . . . A 498 PHE CZ . 17518 1 896 . 1 1 79 79 PHE N N 15 123.023 0.036 . 1 . . . A 498 PHE N . 17518 1 897 . 1 1 80 80 SER H H 1 8.804 0.008 . 1 . . . A 499 SER H . 17518 1 898 . 1 1 80 80 SER HA H 1 4.997 0.004 . 1 . . . A 499 SER HA . 17518 1 899 . 1 1 80 80 SER HB2 H 1 4.032 0.003 . 1 . . . A 499 SER HB2 . 17518 1 900 . 1 1 80 80 SER HB3 H 1 3.883 0.004 . 1 . . . A 499 SER HB3 . 17518 1 901 . 1 1 80 80 SER C C 13 173.356 0 . 1 . . . A 499 SER C . 17518 1 902 . 1 1 80 80 SER CA C 13 57.357 0.06 . 1 . . . A 499 SER CA . 17518 1 903 . 1 1 80 80 SER CB C 13 65.301 0.013 . 1 . . . A 499 SER CB . 17518 1 904 . 1 1 80 80 SER N N 15 117.002 0.034 . 1 . . . A 499 SER N . 17518 1 905 . 1 1 81 81 THR H H 1 7.559 0.003 . 1 . . . A 500 THR H . 17518 1 906 . 1 1 81 81 THR HA H 1 3.82 0.005 . 1 . . . A 500 THR HA . 17518 1 907 . 1 1 81 81 THR HB H 1 4.046 0.004 . 1 . . . A 500 THR HB . 17518 1 908 . 1 1 81 81 THR HG21 H 1 1.164 0.006 . 1 . . . A 500 THR HG21 . 17518 1 909 . 1 1 81 81 THR HG22 H 1 1.164 0.006 . 1 . . . A 500 THR HG22 . 17518 1 910 . 1 1 81 81 THR HG23 H 1 1.164 0.006 . 1 . . . A 500 THR HG23 . 17518 1 911 . 1 1 81 81 THR C C 13 174.378 0 . 1 . . . A 500 THR C . 17518 1 912 . 1 1 81 81 THR CA C 13 64.22 0.081 . 1 . . . A 500 THR CA . 17518 1 913 . 1 1 81 81 THR CB C 13 69.475 0.073 . 1 . . . A 500 THR CB . 17518 1 914 . 1 1 81 81 THR CG2 C 13 22.723 0.033 . 1 . . . A 500 THR CG2 . 17518 1 915 . 1 1 81 81 THR N N 15 112.529 0.043 . 1 . . . A 500 THR N . 17518 1 916 . 1 1 82 82 GLY H H 1 8.409 0.007 . 1 . . . A 501 GLY H . 17518 1 917 . 1 1 82 82 GLY HA2 H 1 4.617 0.006 . 1 . . . A 501 GLY HA2 . 17518 1 918 . 1 1 82 82 GLY HA3 H 1 3.807 0.002 . 1 . . . A 501 GLY HA3 . 17518 1 919 . 1 1 82 82 GLY C C 13 174.342 0 . 1 . . . A 501 GLY C . 17518 1 920 . 1 1 82 82 GLY CA C 13 43.795 0.018 . 1 . . . A 501 GLY CA . 17518 1 921 . 1 1 82 82 GLY N N 15 112.234 0.054 . 1 . . . A 501 GLY N . 17518 1 922 . 1 1 83 83 THR H H 1 8.729 0.013 . 1 . . . A 502 THR H . 17518 1 923 . 1 1 83 83 THR HA H 1 5.487 0.006 . 1 . . . A 502 THR HA . 17518 1 924 . 1 1 83 83 THR HB H 1 3.915 0.003 . 1 . . . A 502 THR HB . 17518 1 925 . 1 1 83 83 THR HG21 H 1 1.138 0.005 . 1 . . . A 502 THR HG21 . 17518 1 926 . 1 1 83 83 THR HG22 H 1 1.138 0.005 . 1 . . . A 502 THR HG22 . 17518 1 927 . 1 1 83 83 THR HG23 H 1 1.138 0.005 . 1 . . . A 502 THR HG23 . 17518 1 928 . 1 1 83 83 THR C C 13 174.798 0 . 1 . . . A 502 THR C . 17518 1 929 . 1 1 83 83 THR CA C 13 62.497 0.023 . 1 . . . A 502 THR CA . 17518 1 930 . 1 1 83 83 THR CB C 13 69.978 0.05 . 1 . . . A 502 THR CB . 17518 1 931 . 1 1 83 83 THR CG2 C 13 22.091 0.028 . 1 . . . A 502 THR CG2 . 17518 1 932 . 1 1 83 83 THR N N 15 120.411 0.019 . 1 . . . A 502 THR N . 17518 1 933 . 1 1 84 84 SER H H 1 9.121 0.005 . 1 . . . A 503 SER H . 17518 1 934 . 1 1 84 84 SER HA H 1 5.409 0.005 . 1 . . . A 503 SER HA . 17518 1 935 . 1 1 84 84 SER HB2 H 1 4.148 0.003 . 1 . . . A 503 SER HB2 . 17518 1 936 . 1 1 84 84 SER HB3 H 1 3.783 0.008 . 1 . . . A 503 SER HB3 . 17518 1 937 . 1 1 84 84 SER C C 13 171.976 0 . 1 . . . A 503 SER C . 17518 1 938 . 1 1 84 84 SER CA C 13 58.675 0.029 . 1 . . . A 503 SER CA . 17518 1 939 . 1 1 84 84 SER CB C 13 67.607 0.028 . 1 . . . A 503 SER CB . 17518 1 940 . 1 1 84 84 SER N N 15 123.023 0.018 . 1 . . . A 503 SER N . 17518 1 941 . 1 1 85 85 THR H H 1 9.445 0.003 . 1 . . . A 504 THR H . 17518 1 942 . 1 1 85 85 THR HA H 1 5.241 0.01 . 1 . . . A 504 THR HA . 17518 1 943 . 1 1 85 85 THR HB H 1 3.756 0.004 . 1 . . . A 504 THR HB . 17518 1 944 . 1 1 85 85 THR HG21 H 1 1.034 0.005 . 1 . . . A 504 THR HG21 . 17518 1 945 . 1 1 85 85 THR HG22 H 1 1.034 0.005 . 1 . . . A 504 THR HG22 . 17518 1 946 . 1 1 85 85 THR HG23 H 1 1.034 0.005 . 1 . . . A 504 THR HG23 . 17518 1 947 . 1 1 85 85 THR C C 13 172.93 0 . 1 . . . A 504 THR C . 17518 1 948 . 1 1 85 85 THR CA C 13 62.672 0.043 . 1 . . . A 504 THR CA . 17518 1 949 . 1 1 85 85 THR CB C 13 70.641 0.065 . 1 . . . A 504 THR CB . 17518 1 950 . 1 1 85 85 THR CG2 C 13 21.475 0.028 . 1 . . . A 504 THR CG2 . 17518 1 951 . 1 1 85 85 THR N N 15 118.388 0.024 . 1 . . . A 504 THR N . 17518 1 952 . 1 1 86 86 TYR H H 1 9.858 0.003 . 1 . . . A 505 TYR H . 17518 1 953 . 1 1 86 86 TYR HA H 1 5.109 0.007 . 1 . . . A 505 TYR HA . 17518 1 954 . 1 1 86 86 TYR HB2 H 1 2.852 0.008 . 1 . . . A 505 TYR HB2 . 17518 1 955 . 1 1 86 86 TYR HB3 H 1 2.722 0.005 . 1 . . . A 505 TYR HB3 . 17518 1 956 . 1 1 86 86 TYR HD1 H 1 6.501 0.005 . 2 . . . A 505 TYR HD1 . 17518 1 957 . 1 1 86 86 TYR HE1 H 1 5.775 0.008 . 2 . . . A 505 TYR HE1 . 17518 1 958 . 1 1 86 86 TYR C C 13 173.063 0 . 1 . . . A 505 TYR C . 17518 1 959 . 1 1 86 86 TYR CA C 13 57.28 0.09 . 1 . . . A 505 TYR CA . 17518 1 960 . 1 1 86 86 TYR CB C 13 41.66 0.047 . 1 . . . A 505 TYR CB . 17518 1 961 . 1 1 86 86 TYR CG C 13 126.865 0 . 1 . . . A 505 TYR CG . 17518 1 962 . 1 1 86 86 TYR CD1 C 13 131.7 0.057 . 3 . . . A 505 TYR CD1 . 17518 1 963 . 1 1 86 86 TYR CE1 C 13 117.402 0.023 . 3 . . . A 505 TYR CE1 . 17518 1 964 . 1 1 86 86 TYR N N 15 129.195 0.025 . 1 . . . A 505 TYR N . 17518 1 965 . 1 1 87 87 THR H H 1 7.906 0.002 . 1 . . . A 506 THR H . 17518 1 966 . 1 1 87 87 THR HA H 1 4.288 0.005 . 1 . . . A 506 THR HA . 17518 1 967 . 1 1 87 87 THR HB H 1 3.553 0.005 . 1 . . . A 506 THR HB . 17518 1 968 . 1 1 87 87 THR HG21 H 1 0.947 0.004 . 1 . . . A 506 THR HG21 . 17518 1 969 . 1 1 87 87 THR HG22 H 1 0.947 0.004 . 1 . . . A 506 THR HG22 . 17518 1 970 . 1 1 87 87 THR HG23 H 1 0.947 0.004 . 1 . . . A 506 THR HG23 . 17518 1 971 . 1 1 87 87 THR C C 13 171.472 0 . 1 . . . A 506 THR C . 17518 1 972 . 1 1 87 87 THR CA C 13 58.917 0.043 . 1 . . . A 506 THR CA . 17518 1 973 . 1 1 87 87 THR CB C 13 70.055 0.039 . 1 . . . A 506 THR CB . 17518 1 974 . 1 1 87 87 THR CG2 C 13 20.831 0.037 . 1 . . . A 506 THR CG2 . 17518 1 975 . 1 1 87 87 THR N N 15 124.861 0.022 . 1 . . . A 506 THR N . 17518 1 976 . 1 1 88 88 PRO HA H 1 4.006 0.004 . 1 . . . A 507 PRO HA . 17518 1 977 . 1 1 88 88 PRO HB2 H 1 2.34 0.004 . 1 . . . A 507 PRO HB2 . 17518 1 978 . 1 1 88 88 PRO HB3 H 1 1.675 0.006 . 1 . . . A 507 PRO HB3 . 17518 1 979 . 1 1 88 88 PRO HG2 H 1 1.684 0.007 . 2 . . . A 507 PRO HG2 . 17518 1 980 . 1 1 88 88 PRO HD2 H 1 3.355 0.003 . 1 . . . A 507 PRO HD2 . 17518 1 981 . 1 1 88 88 PRO HD3 H 1 3.301 0.007 . 1 . . . A 507 PRO HD3 . 17518 1 982 . 1 1 88 88 PRO C C 13 176.975 0.019 . 1 . . . A 507 PRO C . 17518 1 983 . 1 1 88 88 PRO CA C 13 62.998 0.048 . 1 . . . A 507 PRO CA . 17518 1 984 . 1 1 88 88 PRO CB C 13 32.374 0.054 . 1 . . . A 507 PRO CB . 17518 1 985 . 1 1 88 88 PRO CG C 13 27.7 0.043 . 1 . . . A 507 PRO CG . 17518 1 986 . 1 1 88 88 PRO CD C 13 53.238 0.031 . 1 . . . A 507 PRO CD . 17518 1 987 . 1 1 89 89 GLY H H 1 8.294 0.006 . 1 . . . A 508 GLY H . 17518 1 988 . 1 1 89 89 GLY HA2 H 1 4.045 0.003 . 1 . . . A 508 GLY HA2 . 17518 1 989 . 1 1 89 89 GLY HA3 H 1 3.35 0.004 . 1 . . . A 508 GLY HA3 . 17518 1 990 . 1 1 89 89 GLY C C 13 173.757 0 . 1 . . . A 508 GLY C . 17518 1 991 . 1 1 89 89 GLY CA C 13 44.078 0.005 . 1 . . . A 508 GLY CA . 17518 1 992 . 1 1 89 89 GLY N N 15 108.823 0.027 . 1 . . . A 508 GLY N . 17518 1 993 . 1 1 90 90 ASN H H 1 8.434 0.011 . 1 . . . A 509 ASN H . 17518 1 994 . 1 1 90 90 ASN HA H 1 4.723 0.011 . 1 . . . A 509 ASN HA . 17518 1 995 . 1 1 90 90 ASN HB2 H 1 2.709 0.002 . 1 . . . A 509 ASN HB2 . 17518 1 996 . 1 1 90 90 ASN HB3 H 1 2.653 0 . 1 . . . A 509 ASN HB3 . 17518 1 997 . 1 1 90 90 ASN HD21 H 1 7.53 0.007 . 1 . . . A 509 ASN HD21 . 17518 1 998 . 1 1 90 90 ASN HD22 H 1 6.882 0.004 . 1 . . . A 509 ASN HD22 . 17518 1 999 . 1 1 90 90 ASN C C 13 176.078 0 . 1 . . . A 509 ASN C . 17518 1 1000 . 1 1 90 90 ASN CA C 13 52.906 0.026 . 1 . . . A 509 ASN CA . 17518 1 1001 . 1 1 90 90 ASN CB C 13 39.922 0.016 . 1 . . . A 509 ASN CB . 17518 1 1002 . 1 1 90 90 ASN CG C 13 176.657 0.028 . 1 . . . A 509 ASN CG . 17518 1 1003 . 1 1 90 90 ASN N N 15 117.85 0.038 . 1 . . . A 509 ASN N . 17518 1 1004 . 1 1 90 90 ASN ND2 N 15 113.598 0.2 . 1 . . . A 509 ASN ND2 . 17518 1 1005 . 1 1 91 91 SER H H 1 8.819 0.012 . 1 . . . A 510 SER H . 17518 1 1006 . 1 1 91 91 SER HA H 1 4.133 0.004 . 1 . . . A 510 SER HA . 17518 1 1007 . 1 1 91 91 SER HB2 H 1 3.934 0.002 . 1 . . . A 510 SER HB2 . 17518 1 1008 . 1 1 91 91 SER HB3 H 1 3.787 0.002 . 1 . . . A 510 SER HB3 . 17518 1 1009 . 1 1 91 91 SER C C 13 174.773 0 . 1 . . . A 510 SER C . 17518 1 1010 . 1 1 91 91 SER CA C 13 58.662 0.031 . 1 . . . A 510 SER CA . 17518 1 1011 . 1 1 91 91 SER CB C 13 62.209 0.019 . 1 . . . A 510 SER CB . 17518 1 1012 . 1 1 91 91 SER N N 15 114.973 0.023 . 1 . . . A 510 SER N . 17518 1 1013 . 1 1 92 92 GLY H H 1 8.472 0.006 . 1 . . . A 511 GLY H . 17518 1 1014 . 1 1 92 92 GLY HA2 H 1 4.188 0.001 . 1 . . . A 511 GLY HA2 . 17518 1 1015 . 1 1 92 92 GLY HA3 H 1 3.709 0.001 . 1 . . . A 511 GLY HA3 . 17518 1 1016 . 1 1 92 92 GLY C C 13 174.613 0 . 1 . . . A 511 GLY C . 17518 1 1017 . 1 1 92 92 GLY CA C 13 45.263 0.058 . 1 . . . A 511 GLY CA . 17518 1 1018 . 1 1 92 92 GLY N N 15 108.552 0.032 . 1 . . . A 511 GLY N . 17518 1 1019 . 1 1 93 93 ASN H H 1 7.985 0.002 . 1 . . . A 512 ASN H . 17518 1 1020 . 1 1 93 93 ASN HA H 1 4.77 0.001 . 1 . . . A 512 ASN HA . 17518 1 1021 . 1 1 93 93 ASN HB2 H 1 2.871 0.006 . 2 . . . A 512 ASN HB2 . 17518 1 1022 . 1 1 93 93 ASN HD21 H 1 7.375 0.003 . 1 . . . A 512 ASN HD21 . 17518 1 1023 . 1 1 93 93 ASN HD22 H 1 6.996 0.005 . 1 . . . A 512 ASN HD22 . 17518 1 1024 . 1 1 93 93 ASN C C 13 174.627 0 . 1 . . . A 512 ASN C . 17518 1 1025 . 1 1 93 93 ASN CA C 13 52.833 0.051 . 1 . . . A 512 ASN CA . 17518 1 1026 . 1 1 93 93 ASN CB C 13 39.771 0.022 . 1 . . . A 512 ASN CB . 17518 1 1027 . 1 1 93 93 ASN CG C 13 177.013 0.038 . 1 . . . A 512 ASN CG . 17518 1 1028 . 1 1 93 93 ASN N N 15 119.035 0.062 . 1 . . . A 512 ASN N . 17518 1 1029 . 1 1 93 93 ASN ND2 N 15 113.347 0.174 . 1 . . . A 512 ASN ND2 . 17518 1 1030 . 1 1 94 94 ALA H H 1 8.442 0.013 . 1 . . . A 513 ALA H . 17518 1 1031 . 1 1 94 94 ALA HA H 1 4.604 0.005 . 1 . . . A 513 ALA HA . 17518 1 1032 . 1 1 94 94 ALA HB1 H 1 1.666 0.004 . 1 . . . A 513 ALA HB1 . 17518 1 1033 . 1 1 94 94 ALA HB2 H 1 1.666 0.004 . 1 . . . A 513 ALA HB2 . 17518 1 1034 . 1 1 94 94 ALA HB3 H 1 1.666 0.004 . 1 . . . A 513 ALA HB3 . 17518 1 1035 . 1 1 94 94 ALA C C 13 178.511 0.031 . 1 . . . A 513 ALA C . 17518 1 1036 . 1 1 94 94 ALA CA C 13 52.699 0.03 . 1 . . . A 513 ALA CA . 17518 1 1037 . 1 1 94 94 ALA CB C 13 20.408 0.013 . 1 . . . A 513 ALA CB . 17518 1 1038 . 1 1 94 94 ALA N N 15 123.854 0.02 . 1 . . . A 513 ALA N . 17518 1 1039 . 1 1 95 95 GLY H H 1 8.353 0.009 . 1 . . . A 514 GLY H . 17518 1 1040 . 1 1 95 95 GLY HA2 H 1 4.057 0.005 . 1 . . . A 514 GLY HA2 . 17518 1 1041 . 1 1 95 95 GLY HA3 H 1 3.846 0.007 . 1 . . . A 514 GLY HA3 . 17518 1 1042 . 1 1 95 95 GLY C C 13 173.104 0 . 1 . . . A 514 GLY C . 17518 1 1043 . 1 1 95 95 GLY CA C 13 44.895 0.061 . 1 . . . A 514 GLY CA . 17518 1 1044 . 1 1 95 95 GLY N N 15 108.88 0.02 . 1 . . . A 514 GLY N . 17518 1 1045 . 1 1 96 96 THR H H 1 7.839 0.003 . 1 . . . A 515 THR H . 17518 1 1046 . 1 1 96 96 THR HA H 1 4.504 0.004 . 1 . . . A 515 THR HA . 17518 1 1047 . 1 1 96 96 THR HB H 1 3.768 0.004 . 1 . . . A 515 THR HB . 17518 1 1048 . 1 1 96 96 THR HG21 H 1 1.066 0.009 . 1 . . . A 515 THR HG21 . 17518 1 1049 . 1 1 96 96 THR HG22 H 1 1.066 0.009 . 1 . . . A 515 THR HG22 . 17518 1 1050 . 1 1 96 96 THR HG23 H 1 1.066 0.009 . 1 . . . A 515 THR HG23 . 17518 1 1051 . 1 1 96 96 THR C C 13 173.214 0 . 1 . . . A 515 THR C . 17518 1 1052 . 1 1 96 96 THR CA C 13 60.947 0.049 . 1 . . . A 515 THR CA . 17518 1 1053 . 1 1 96 96 THR CB C 13 72.111 0.03 . 1 . . . A 515 THR CB . 17518 1 1054 . 1 1 96 96 THR CG2 C 13 21.869 0.021 . 1 . . . A 515 THR CG2 . 17518 1 1055 . 1 1 96 96 THR N N 15 110.444 0.019 . 1 . . . A 515 THR N . 17518 1 1056 . 1 1 97 97 ILE H H 1 8.733 0.012 . 1 . . . A 516 ILE H . 17518 1 1057 . 1 1 97 97 ILE HA H 1 4.971 0.003 . 1 . . . A 516 ILE HA . 17518 1 1058 . 1 1 97 97 ILE HB H 1 1.634 0.005 . 1 . . . A 516 ILE HB . 17518 1 1059 . 1 1 97 97 ILE HG12 H 1 0.898 0.006 . 1 . . . A 516 ILE HG12 . 17518 1 1060 . 1 1 97 97 ILE HG13 H 1 1.63 0.005 . 1 . . . A 516 ILE HG13 . 17518 1 1061 . 1 1 97 97 ILE HG21 H 1 0.925 0.006 . 1 . . . A 516 ILE HG21 . 17518 1 1062 . 1 1 97 97 ILE HG22 H 1 0.925 0.006 . 1 . . . A 516 ILE HG22 . 17518 1 1063 . 1 1 97 97 ILE HG23 H 1 0.925 0.006 . 1 . . . A 516 ILE HG23 . 17518 1 1064 . 1 1 97 97 ILE HD11 H 1 0.446 0.004 . 1 . . . A 516 ILE HD11 . 17518 1 1065 . 1 1 97 97 ILE HD12 H 1 0.446 0.004 . 1 . . . A 516 ILE HD12 . 17518 1 1066 . 1 1 97 97 ILE HD13 H 1 0.446 0.004 . 1 . . . A 516 ILE HD13 . 17518 1 1067 . 1 1 97 97 ILE C C 13 176.061 0 . 1 . . . A 516 ILE C . 17518 1 1068 . 1 1 97 97 ILE CA C 13 61.045 0.036 . 1 . . . A 516 ILE CA . 17518 1 1069 . 1 1 97 97 ILE CB C 13 40.742 0.009 . 1 . . . A 516 ILE CB . 17518 1 1070 . 1 1 97 97 ILE CG1 C 13 29.843 0.016 . 1 . . . A 516 ILE CG1 . 17518 1 1071 . 1 1 97 97 ILE CG2 C 13 18.551 0.035 . 1 . . . A 516 ILE CG2 . 17518 1 1072 . 1 1 97 97 ILE CD1 C 13 14.602 0.032 . 1 . . . A 516 ILE CD1 . 17518 1 1073 . 1 1 97 97 ILE N N 15 126.77 0.038 . 1 . . . A 516 ILE N . 17518 1 1074 . 1 1 98 98 THR H H 1 9.27 0.004 . 1 . . . A 517 THR H . 17518 1 1075 . 1 1 98 98 THR HA H 1 4.693 0.001 . 1 . . . A 517 THR HA . 17518 1 1076 . 1 1 98 98 THR HB H 1 4.064 0.003 . 1 . . . A 517 THR HB . 17518 1 1077 . 1 1 98 98 THR HG21 H 1 1.132 0.004 . 1 . . . A 517 THR HG21 . 17518 1 1078 . 1 1 98 98 THR HG22 H 1 1.132 0.004 . 1 . . . A 517 THR HG22 . 17518 1 1079 . 1 1 98 98 THR HG23 H 1 1.132 0.004 . 1 . . . A 517 THR HG23 . 17518 1 1080 . 1 1 98 98 THR C C 13 173.622 0 . 1 . . . A 517 THR C . 17518 1 1081 . 1 1 98 98 THR CA C 13 59.692 0.027 . 1 . . . A 517 THR CA . 17518 1 1082 . 1 1 98 98 THR CB C 13 71.29 0.047 . 1 . . . A 517 THR CB . 17518 1 1083 . 1 1 98 98 THR CG2 C 13 22.321 0.03 . 1 . . . A 517 THR CG2 . 17518 1 1084 . 1 1 98 98 THR N N 15 121.307 0.025 . 1 . . . A 517 THR N . 17518 1 1085 . 1 1 99 99 SER H H 1 8.667 0.008 . 1 . . . A 518 SER H . 17518 1 1086 . 1 1 99 99 SER HA H 1 4.548 0.004 . 1 . . . A 518 SER HA . 17518 1 1087 . 1 1 99 99 SER HB2 H 1 3.881 0.002 . 2 . . . A 518 SER HB2 . 17518 1 1088 . 1 1 99 99 SER C C 13 175.405 0 . 1 . . . A 518 SER C . 17518 1 1089 . 1 1 99 99 SER CA C 13 59.662 0.034 . 1 . . . A 518 SER CA . 17518 1 1090 . 1 1 99 99 SER CB C 13 63.836 0.049 . 1 . . . A 518 SER CB . 17518 1 1091 . 1 1 99 99 SER N N 15 118.544 0.036 . 1 . . . A 518 SER N . 17518 1 1092 . 1 1 100 100 GLY H H 1 8.443 0.004 . 1 . . . A 519 GLY H . 17518 1 1093 . 1 1 100 100 GLY HA2 H 1 4.255 0.005 . 1 . . . A 519 GLY HA2 . 17518 1 1094 . 1 1 100 100 GLY HA3 H 1 3.468 0.006 . 1 . . . A 519 GLY HA3 . 17518 1 1095 . 1 1 100 100 GLY C C 13 171.714 0 . 1 . . . A 519 GLY C . 17518 1 1096 . 1 1 100 100 GLY CA C 13 44.073 0.021 . 1 . . . A 519 GLY CA . 17518 1 1097 . 1 1 100 100 GLY N N 15 113.982 0.035 . 1 . . . A 519 GLY N . 17518 1 1098 . 1 1 101 101 ALA H H 1 7.908 0.009 . 1 . . . A 520 ALA H . 17518 1 1099 . 1 1 101 101 ALA HA H 1 3.607 0.003 . 1 . . . A 520 ALA HA . 17518 1 1100 . 1 1 101 101 ALA HB1 H 1 0.787 0.003 . 1 . . . A 520 ALA HB1 . 17518 1 1101 . 1 1 101 101 ALA HB2 H 1 0.787 0.003 . 1 . . . A 520 ALA HB2 . 17518 1 1102 . 1 1 101 101 ALA HB3 H 1 0.787 0.003 . 1 . . . A 520 ALA HB3 . 17518 1 1103 . 1 1 101 101 ALA CA C 13 49.463 0.024 . 1 . . . A 520 ALA CA . 17518 1 1104 . 1 1 101 101 ALA CB C 13 18.131 0.043 . 1 . . . A 520 ALA CB . 17518 1 1105 . 1 1 101 101 ALA N N 15 120.741 0.026 . 1 . . . A 520 ALA N . 17518 1 1106 . 1 1 102 102 PRO HA H 1 4.042 0.018 . 1 . . . A 521 PRO HA . 17518 1 1107 . 1 1 102 102 PRO HB2 H 1 1.662 0.004 . 1 . . . A 521 PRO HB2 . 17518 1 1108 . 1 1 102 102 PRO HB3 H 1 1.136 0.025 . 1 . . . A 521 PRO HB3 . 17518 1 1109 . 1 1 102 102 PRO HG2 H 1 0.581 0.005 . 1 . . . A 521 PRO HG2 . 17518 1 1110 . 1 1 102 102 PRO HG3 H 1 0.406 0.004 . 1 . . . A 521 PRO HG3 . 17518 1 1111 . 1 1 102 102 PRO HD2 H 1 2.534 0.004 . 1 . . . A 521 PRO HD2 . 17518 1 1112 . 1 1 102 102 PRO HD3 H 1 1.601 0.004 . 1 . . . A 521 PRO HD3 . 17518 1 1113 . 1 1 102 102 PRO C C 13 175.467 0 . 1 . . . A 521 PRO C . 17518 1 1114 . 1 1 102 102 PRO CA C 13 62.698 0.041 . 1 . . . A 521 PRO CA . 17518 1 1115 . 1 1 102 102 PRO CB C 13 31.864 0.042 . 1 . . . A 521 PRO CB . 17518 1 1116 . 1 1 102 102 PRO CG C 13 26.602 0.035 . 1 . . . A 521 PRO CG . 17518 1 1117 . 1 1 102 102 PRO CD C 13 48.426 0.01 . 1 . . . A 521 PRO CD . 17518 1 1118 . 1 1 103 103 ALA H H 1 7.993 0.011 . 1 . . . A 522 ALA H . 17518 1 1119 . 1 1 103 103 ALA HA H 1 4.113 0.003 . 1 . . . A 522 ALA HA . 17518 1 1120 . 1 1 103 103 ALA HB1 H 1 1.229 0.003 . 1 . . . A 522 ALA HB1 . 17518 1 1121 . 1 1 103 103 ALA HB2 H 1 1.229 0.003 . 1 . . . A 522 ALA HB2 . 17518 1 1122 . 1 1 103 103 ALA HB3 H 1 1.229 0.003 . 1 . . . A 522 ALA HB3 . 17518 1 1123 . 1 1 103 103 ALA C C 13 177.009 0 . 1 . . . A 522 ALA C . 17518 1 1124 . 1 1 103 103 ALA CA C 13 51.956 0.025 . 1 . . . A 522 ALA CA . 17518 1 1125 . 1 1 103 103 ALA CB C 13 19.689 0.042 . 1 . . . A 522 ALA CB . 17518 1 1126 . 1 1 103 103 ALA N N 15 122.93 0.032 . 1 . . . A 522 ALA N . 17518 1 1127 . 1 1 104 104 GLY H H 1 7.587 0.007 . 1 . . . A 523 GLY H . 17518 1 1128 . 1 1 104 104 GLY HA2 H 1 3.627 0.003 . 2 . . . A 523 GLY HA2 . 17518 1 1129 . 1 1 104 104 GLY C C 13 178.368 0 . 1 . . . A 523 GLY C . 17518 1 1130 . 1 1 104 104 GLY CA C 13 46.075 0.012 . 1 . . . A 523 GLY CA . 17518 1 1131 . 1 1 104 104 GLY N N 15 113.507 0.024 . 1 . . . A 523 GLY N . 17518 1 stop_ save_