data_17519 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17519 _Entry.Title ; Solution Strucuture of CBM25-2 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 2012-08-07 _Entry.Original_release_date 2012-08-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ryosuke Takahashi . . . 17519 2 Takuya Yoshida . . . 17519 3 Tadayasu Ohkubo . . . 17519 4 Jun-ichi Sumitani . . . 17519 5 Shigenori Nishimura . . . 17519 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' . 17519 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CBM25 . 17519 'Paenibacillus polymyxa' . 17519 SBD . 17519 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17519 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 398 17519 '15N chemical shifts' 112 17519 '1H chemical shifts' 595 17519 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 2011-03-09 original author . 17519 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17518 'Starch Binding Domain 1 of beta/alpha-amylase' 17519 PDB 2LAB 'BMRB Entry Tracking System' 17519 stop_ save_ ############### # Citations # ############### save_entry_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_2 _Citation.Entry_ID 17519 _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.Entry_ID _Citation_author.Citation_ID 1 Ryosuke Takahashi . . . 17519 1 2 Ippei Horibe . . . 17519 1 3 Harumi Fukada . . . 17519 1 4 Takuya Yoshida . . . 17519 1 5 Tadayasu Ohkubo . . . 17519 1 6 Takashi Inui . . . 17519 1 7 Shigenori Nishimura . . . 17519 1 8 Jun-ichi Sumitani . . . 17519 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17519 _Assembly.ID 1 _Assembly.Name 'Starch Binding Domain 2 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 'Starch Binding Domain 2 of beta/alpha-amylase' 1 $entity A . yes native no no . . . 17519 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17519 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name carbohydrate_binding_module _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 ; GGTTNKVTVYYKKGFNSPYI HYRPAGGSWTAAPGVKMQDA EISGYAKITVDIGSASQLEA AFNDGNNNWDSNNTKNYLFS TGTSTYTPGSNGAAGTIRTG APSG ; _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 10844.803 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2LAB . "Solution Strucuture Of The Cbm25-2 Of BetaALPHA-Amylase From Paenibacillus Polymyxa" . . . . . 100.00 104 100.00 100.00 5.42e-67 . . . . 17519 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 530 GLY . 17519 1 2 531 GLY . 17519 1 3 532 THR . 17519 1 4 533 THR . 17519 1 5 534 ASN . 17519 1 6 535 LYS . 17519 1 7 536 VAL . 17519 1 8 537 THR . 17519 1 9 538 VAL . 17519 1 10 539 TYR . 17519 1 11 540 TYR . 17519 1 12 541 LYS . 17519 1 13 542 LYS . 17519 1 14 543 GLY . 17519 1 15 544 PHE . 17519 1 16 545 ASN . 17519 1 17 546 SER . 17519 1 18 547 PRO . 17519 1 19 548 TYR . 17519 1 20 549 ILE . 17519 1 21 550 HIS . 17519 1 22 551 TYR . 17519 1 23 552 ARG . 17519 1 24 553 PRO . 17519 1 25 554 ALA . 17519 1 26 555 GLY . 17519 1 27 556 GLY . 17519 1 28 557 SER . 17519 1 29 558 TRP . 17519 1 30 559 THR . 17519 1 31 560 ALA . 17519 1 32 561 ALA . 17519 1 33 562 PRO . 17519 1 34 563 GLY . 17519 1 35 564 VAL . 17519 1 36 565 LYS . 17519 1 37 566 MET . 17519 1 38 567 GLN . 17519 1 39 568 ASP . 17519 1 40 569 ALA . 17519 1 41 570 GLU . 17519 1 42 571 ILE . 17519 1 43 572 SER . 17519 1 44 573 GLY . 17519 1 45 574 TYR . 17519 1 46 575 ALA . 17519 1 47 576 LYS . 17519 1 48 577 ILE . 17519 1 49 578 THR . 17519 1 50 579 VAL . 17519 1 51 580 ASP . 17519 1 52 581 ILE . 17519 1 53 582 GLY . 17519 1 54 583 SER . 17519 1 55 584 ALA . 17519 1 56 585 SER . 17519 1 57 586 GLN . 17519 1 58 587 LEU . 17519 1 59 588 GLU . 17519 1 60 589 ALA . 17519 1 61 590 ALA . 17519 1 62 591 PHE . 17519 1 63 592 ASN . 17519 1 64 593 ASP . 17519 1 65 594 GLY . 17519 1 66 595 ASN . 17519 1 67 596 ASN . 17519 1 68 597 ASN . 17519 1 69 598 TRP . 17519 1 70 599 ASP . 17519 1 71 600 SER . 17519 1 72 601 ASN . 17519 1 73 602 ASN . 17519 1 74 603 THR . 17519 1 75 604 LYS . 17519 1 76 605 ASN . 17519 1 77 606 TYR . 17519 1 78 607 LEU . 17519 1 79 608 PHE . 17519 1 80 609 SER . 17519 1 81 610 THR . 17519 1 82 611 GLY . 17519 1 83 612 THR . 17519 1 84 613 SER . 17519 1 85 614 THR . 17519 1 86 615 TYR . 17519 1 87 616 THR . 17519 1 88 617 PRO . 17519 1 89 618 GLY . 17519 1 90 619 SER . 17519 1 91 620 ASN . 17519 1 92 621 GLY . 17519 1 93 622 ALA . 17519 1 94 623 ALA . 17519 1 95 624 GLY . 17519 1 96 625 THR . 17519 1 97 626 ILE . 17519 1 98 627 ARG . 17519 1 99 628 THR . 17519 1 100 629 GLY . 17519 1 101 630 ALA . 17519 1 102 631 PRO . 17519 1 103 632 SER . 17519 1 104 633 GLY . 17519 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 17519 1 . GLY 2 2 17519 1 . THR 3 3 17519 1 . THR 4 4 17519 1 . ASN 5 5 17519 1 . LYS 6 6 17519 1 . VAL 7 7 17519 1 . THR 8 8 17519 1 . VAL 9 9 17519 1 . TYR 10 10 17519 1 . TYR 11 11 17519 1 . LYS 12 12 17519 1 . LYS 13 13 17519 1 . GLY 14 14 17519 1 . PHE 15 15 17519 1 . ASN 16 16 17519 1 . SER 17 17 17519 1 . PRO 18 18 17519 1 . TYR 19 19 17519 1 . ILE 20 20 17519 1 . HIS 21 21 17519 1 . TYR 22 22 17519 1 . ARG 23 23 17519 1 . PRO 24 24 17519 1 . ALA 25 25 17519 1 . GLY 26 26 17519 1 . GLY 27 27 17519 1 . SER 28 28 17519 1 . TRP 29 29 17519 1 . THR 30 30 17519 1 . ALA 31 31 17519 1 . ALA 32 32 17519 1 . PRO 33 33 17519 1 . GLY 34 34 17519 1 . VAL 35 35 17519 1 . LYS 36 36 17519 1 . MET 37 37 17519 1 . GLN 38 38 17519 1 . ASP 39 39 17519 1 . ALA 40 40 17519 1 . GLU 41 41 17519 1 . ILE 42 42 17519 1 . SER 43 43 17519 1 . GLY 44 44 17519 1 . TYR 45 45 17519 1 . ALA 46 46 17519 1 . LYS 47 47 17519 1 . ILE 48 48 17519 1 . THR 49 49 17519 1 . VAL 50 50 17519 1 . ASP 51 51 17519 1 . ILE 52 52 17519 1 . GLY 53 53 17519 1 . SER 54 54 17519 1 . ALA 55 55 17519 1 . SER 56 56 17519 1 . GLN 57 57 17519 1 . LEU 58 58 17519 1 . GLU 59 59 17519 1 . ALA 60 60 17519 1 . ALA 61 61 17519 1 . PHE 62 62 17519 1 . ASN 63 63 17519 1 . ASP 64 64 17519 1 . GLY 65 65 17519 1 . ASN 66 66 17519 1 . ASN 67 67 17519 1 . ASN 68 68 17519 1 . TRP 69 69 17519 1 . ASP 70 70 17519 1 . SER 71 71 17519 1 . ASN 72 72 17519 1 . ASN 73 73 17519 1 . THR 74 74 17519 1 . LYS 75 75 17519 1 . ASN 76 76 17519 1 . TYR 77 77 17519 1 . LEU 78 78 17519 1 . PHE 79 79 17519 1 . SER 80 80 17519 1 . THR 81 81 17519 1 . GLY 82 82 17519 1 . THR 83 83 17519 1 . SER 84 84 17519 1 . THR 85 85 17519 1 . TYR 86 86 17519 1 . THR 87 87 17519 1 . PRO 88 88 17519 1 . GLY 89 89 17519 1 . SER 90 90 17519 1 . ASN 91 91 17519 1 . GLY 92 92 17519 1 . ALA 93 93 17519 1 . ALA 94 94 17519 1 . GLY 95 95 17519 1 . THR 96 96 17519 1 . ILE 97 97 17519 1 . ARG 98 98 17519 1 . THR 99 99 17519 1 . GLY 100 100 17519 1 . ALA 101 101 17519 1 . PRO 102 102 17519 1 . SER 103 103 17519 1 . GLY 104 104 17519 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 17519 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 1406 organism . 'Bacillus polymyxa' 'Bacillus polymyxa' . . Bacteria . Bacillus polymyxa . . . . . . . . . . . . . . . . . . . . . 17519 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 17519 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pET16b . . . . . . 17519 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17519 _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 . . . . 17519 1 2 'sodium acetate' '[U-13C; U-15N]' . . . . . . 0.5-1.2 . . mM . . . . 17519 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17519 _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 . . . . 17519 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 17519 _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 17519 1 pH 5.5 . pH 17519 1 pressure 1 . atm 17519 1 temperature 303 . K 17519 1 stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 17519 _Software.ID 1 _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' . . 17519 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17519 1 'structure solution' 17519 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17519 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17519 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17519 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17519 _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' . . 17519 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17519 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 17519 _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 17519 _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 . . . 17519 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 17519 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17519 1 2 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17519 1 3 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17519 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17519 1 5 '3D HN(COCA)CB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17519 1 6 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17519 1 7 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17519 1 8 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17519 1 9 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17519 1 10 '3D 1H-15N TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17519 1 11 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17519 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17519 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 17519 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 17519 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 internal direct 1 . . . . . . . . . 17519 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 internal indirect 0.251449530 . . . . . . . . . 17519 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 17519 _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' . . . 17519 1 2 '2D 1H-13C HSQC aliphatic' . . . 17519 1 3 '2D 1H-13C HSQC aromatic' . . . 17519 1 4 '3D HNCACB' . . . 17519 1 5 '3D HN(COCA)CB' . . . 17519 1 6 '3D HCCH-TOCSY' . . . 17519 1 10 '3D 1H-15N TOCSY' . . . 17519 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 4.077 0.002 . 1 . . . A 530 GLY HA2 . 17519 1 2 . 1 1 1 1 GLY HA3 H 1 4.031 0.002 . 1 . . . A 530 GLY HA3 . 17519 1 3 . 1 1 1 1 GLY H H 1 8.561 0.004 . 1 . . . A 530 GLY H1 . 17519 1 4 . 1 1 1 1 GLY CA C 13 44.997 0.038 . 1 . . . A 530 GLY CA . 17519 1 5 . 1 1 1 1 GLY N N 15 110.527 0.017 . 1 . . . A 530 GLY N . 17519 1 6 . 1 1 2 2 GLY C C 13 174.309 0 . 1 . . . A 531 GLY C . 17519 1 7 . 1 1 2 2 GLY CA C 13 45.176 0 . 1 . . . A 531 GLY CA . 17519 1 8 . 1 1 3 3 THR H H 1 8.14 0.041 . 1 . . . A 532 THR H . 17519 1 9 . 1 1 3 3 THR HA H 1 4.429 0.004 . 1 . . . A 532 THR HA . 17519 1 10 . 1 1 3 3 THR HB H 1 4.188 0.009 . 1 . . . A 532 THR HB . 17519 1 11 . 1 1 3 3 THR HG21 H 1 1.175 0.001 . 1 . . . A 532 THR HG21 . 17519 1 12 . 1 1 3 3 THR HG22 H 1 1.175 0.001 . 1 . . . A 532 THR HG22 . 17519 1 13 . 1 1 3 3 THR HG23 H 1 1.175 0.001 . 1 . . . A 532 THR HG23 . 17519 1 14 . 1 1 3 3 THR C C 13 174.43 0 . 1 . . . A 532 THR C . 17519 1 15 . 1 1 3 3 THR CA C 13 61.577 0.065 . 1 . . . A 532 THR CA . 17519 1 16 . 1 1 3 3 THR CB C 13 69.849 0.057 . 1 . . . A 532 THR CB . 17519 1 17 . 1 1 3 3 THR CG2 C 13 21.472 0.024 . 1 . . . A 532 THR CG2 . 17519 1 18 . 1 1 3 3 THR N N 15 113.802 0.106 . 1 . . . A 532 THR N . 17519 1 19 . 1 1 4 4 THR H H 1 8.019 0.018 . 1 . . . A 533 THR H . 17519 1 20 . 1 1 4 4 THR HA H 1 4.35 0.003 . 1 . . . A 533 THR HA . 17519 1 21 . 1 1 4 4 THR HB H 1 4.415 0.002 . 1 . . . A 533 THR HB . 17519 1 22 . 1 1 4 4 THR HG21 H 1 1.139 0 . 1 . . . A 533 THR HG21 . 17519 1 23 . 1 1 4 4 THR HG22 H 1 1.139 0 . 1 . . . A 533 THR HG22 . 17519 1 24 . 1 1 4 4 THR HG23 H 1 1.139 0 . 1 . . . A 533 THR HG23 . 17519 1 25 . 1 1 4 4 THR C C 13 173.831 0 . 1 . . . A 533 THR C . 17519 1 26 . 1 1 4 4 THR CA C 13 60.266 0.062 . 1 . . . A 533 THR CA . 17519 1 27 . 1 1 4 4 THR CB C 13 69.788 0.08 . 1 . . . A 533 THR CB . 17519 1 28 . 1 1 4 4 THR CG2 C 13 22.031 0 . 1 . . . A 533 THR CG2 . 17519 1 29 . 1 1 4 4 THR N N 15 115.407 0.067 . 1 . . . A 533 THR N . 17519 1 30 . 1 1 5 5 ASN H H 1 8.863 0.003 . 1 . . . A 534 ASN H . 17519 1 31 . 1 1 5 5 ASN HA H 1 4.836 0.006 . 1 . . . A 534 ASN HA . 17519 1 32 . 1 1 5 5 ASN HB2 H 1 2.922 0.008 . 1 . . . A 534 ASN HB2 . 17519 1 33 . 1 1 5 5 ASN HB3 H 1 2.556 0.006 . 1 . . . A 534 ASN HB3 . 17519 1 34 . 1 1 5 5 ASN HD21 H 1 7.567 0 . 1 . . . A 534 ASN HD21 . 17519 1 35 . 1 1 5 5 ASN HD22 H 1 6.728 0 . 1 . . . A 534 ASN HD22 . 17519 1 36 . 1 1 5 5 ASN C C 13 174.057 0 . 1 . . . A 534 ASN C . 17519 1 37 . 1 1 5 5 ASN CA C 13 52.686 0.061 . 1 . . . A 534 ASN CA . 17519 1 38 . 1 1 5 5 ASN CB C 13 39.156 0.039 . 1 . . . A 534 ASN CB . 17519 1 39 . 1 1 5 5 ASN N N 15 121.822 0.031 . 1 . . . A 534 ASN N . 17519 1 40 . 1 1 5 5 ASN ND2 N 15 113.701 0.021 . 1 . . . A 534 ASN ND2 . 17519 1 41 . 1 1 6 6 LYS H H 1 8.347 0.006 . 1 . . . A 535 LYS H . 17519 1 42 . 1 1 6 6 LYS HA H 1 5.185 0.006 . 1 . . . A 535 LYS HA . 17519 1 43 . 1 1 6 6 LYS HB2 H 1 1.646 0.002 . . . . . A 535 LYS HB2 . 17519 1 44 . 1 1 6 6 LYS HB3 H 1 1.459 0.005 . . . . . A 535 LYS HB3 . 17519 1 45 . 1 1 6 6 LYS HG2 H 1 1.328 0.004 . . . . . A 535 LYS HG2 . 17519 1 46 . 1 1 6 6 LYS HG3 H 1 1.272 0.002 . . . . . A 535 LYS HG3 . 17519 1 47 . 1 1 6 6 LYS HD2 H 1 1.467 0.006 . 2 . . . A 535 LYS HD2 . 17519 1 48 . 1 1 6 6 LYS HE2 H 1 2.858 0.008 . 2 . . . A 535 LYS HE2 . 17519 1 49 . 1 1 6 6 LYS C C 13 175.924 0 . 1 . . . A 535 LYS C . 17519 1 50 . 1 1 6 6 LYS CA C 13 54.531 0.041 . 1 . . . A 535 LYS CA . 17519 1 51 . 1 1 6 6 LYS CB C 13 36.016 0.022 . 1 . . . A 535 LYS CB . 17519 1 52 . 1 1 6 6 LYS CG C 13 25.581 0.006 . 1 . . . A 535 LYS CG . 17519 1 53 . 1 1 6 6 LYS CD C 13 28.931 0.026 . 1 . . . A 535 LYS CD . 17519 1 54 . 1 1 6 6 LYS CE C 13 42.167 0 . 1 . . . A 535 LYS CE . 17519 1 55 . 1 1 6 6 LYS N N 15 119.369 0.031 . 1 . . . A 535 LYS N . 17519 1 56 . 1 1 7 7 VAL H H 1 8.828 0.001 . 1 . . . A 536 VAL H . 17519 1 57 . 1 1 7 7 VAL HA H 1 4.573 0.008 . 1 . . . A 536 VAL HA . 17519 1 58 . 1 1 7 7 VAL HB H 1 1.644 0.003 . 1 . . . A 536 VAL HB . 17519 1 59 . 1 1 7 7 VAL HG11 H 1 0.708 0.001 . 2 . . . A 536 VAL HG11 . 17519 1 60 . 1 1 7 7 VAL HG12 H 1 0.708 0.001 . 2 . . . A 536 VAL HG12 . 17519 1 61 . 1 1 7 7 VAL HG13 H 1 0.708 0.001 . 2 . . . A 536 VAL HG13 . 17519 1 62 . 1 1 7 7 VAL C C 13 174.602 0 . 1 . . . A 536 VAL C . 17519 1 63 . 1 1 7 7 VAL CA C 13 61.145 0.012 . 1 . . . A 536 VAL CA . 17519 1 64 . 1 1 7 7 VAL CB C 13 34.773 0.037 . 1 . . . A 536 VAL CB . 17519 1 65 . 1 1 7 7 VAL N N 15 123.112 0.034 . 1 . . . A 536 VAL N . 17519 1 66 . 1 1 8 8 THR H H 1 8.914 0.003 . 1 . . . A 537 THR H . 17519 1 67 . 1 1 8 8 THR HA H 1 5.396 0.003 . 1 . . . A 537 THR HA . 17519 1 68 . 1 1 8 8 THR HB H 1 4.131 0.001 . 1 . . . A 537 THR HB . 17519 1 69 . 1 1 8 8 THR HG21 H 1 0.991 0.007 . 1 . . . A 537 THR HG21 . 17519 1 70 . 1 1 8 8 THR HG22 H 1 0.991 0.007 . 1 . . . A 537 THR HG22 . 17519 1 71 . 1 1 8 8 THR HG23 H 1 0.991 0.007 . 1 . . . A 537 THR HG23 . 17519 1 72 . 1 1 8 8 THR C C 13 173.129 0 . 1 . . . A 537 THR C . 17519 1 73 . 1 1 8 8 THR CA C 13 61.611 0.025 . 1 . . . A 537 THR CA . 17519 1 74 . 1 1 8 8 THR CB C 13 70.113 0.034 . 1 . . . A 537 THR CB . 17519 1 75 . 1 1 8 8 THR CG2 C 13 21.342 0.005 . 1 . . . A 537 THR CG2 . 17519 1 76 . 1 1 8 8 THR N N 15 125.255 0.041 . 1 . . . A 537 THR N . 17519 1 77 . 1 1 9 9 VAL H H 1 8.585 0.002 . 1 . . . A 538 VAL H . 17519 1 78 . 1 1 9 9 VAL HA H 1 4.534 0.003 . 1 . . . A 538 VAL HA . 17519 1 79 . 1 1 9 9 VAL HB H 1 1.509 0.004 . 1 . . . A 538 VAL HB . 17519 1 80 . 1 1 9 9 VAL HG11 H 1 0.542 0.001 . 1 . . . A 538 VAL HG11 . 17519 1 81 . 1 1 9 9 VAL HG12 H 1 0.542 0.001 . 1 . . . A 538 VAL HG12 . 17519 1 82 . 1 1 9 9 VAL HG13 H 1 0.542 0.001 . 1 . . . A 538 VAL HG13 . 17519 1 83 . 1 1 9 9 VAL HG21 H 1 -0.058 0.007 . 1 . . . A 538 VAL HG21 . 17519 1 84 . 1 1 9 9 VAL HG22 H 1 -0.058 0.007 . 1 . . . A 538 VAL HG22 . 17519 1 85 . 1 1 9 9 VAL HG23 H 1 -0.058 0.007 . 1 . . . A 538 VAL HG23 . 17519 1 86 . 1 1 9 9 VAL C C 13 175.565 0 . 1 . . . A 538 VAL C . 17519 1 87 . 1 1 9 9 VAL CA C 13 60.879 0.018 . 1 . . . A 538 VAL CA . 17519 1 88 . 1 1 9 9 VAL CB C 13 35.179 0.026 . 1 . . . A 538 VAL CB . 17519 1 89 . 1 1 9 9 VAL CG1 C 13 21.089 0.003 . 1 . . . A 538 VAL CG1 . 17519 1 90 . 1 1 9 9 VAL CG2 C 13 19.723 0.029 . 1 . . . A 538 VAL CG2 . 17519 1 91 . 1 1 9 9 VAL N N 15 126.696 0.052 . 1 . . . A 538 VAL N . 17519 1 92 . 1 1 10 10 TYR H H 1 9.111 0.001 . 1 . . . A 539 TYR H . 17519 1 93 . 1 1 10 10 TYR HA H 1 5.258 0.008 . 1 . . . A 539 TYR HA . 17519 1 94 . 1 1 10 10 TYR HB2 H 1 3.349 0.008 . 1 . . . A 539 TYR HB2 . 17519 1 95 . 1 1 10 10 TYR HB3 H 1 2.587 0.011 . 1 . . . A 539 TYR HB3 . 17519 1 96 . 1 1 10 10 TYR HD1 H 1 6.891 0.001 . 2 . . . A 539 TYR HD1 . 17519 1 97 . 1 1 10 10 TYR HE1 H 1 6.602 0 . 2 . . . A 539 TYR HE1 . 17519 1 98 . 1 1 10 10 TYR C C 13 174.309 0 . 1 . . . A 539 TYR C . 17519 1 99 . 1 1 10 10 TYR CA C 13 57.266 0.017 . 1 . . . A 539 TYR CA . 17519 1 100 . 1 1 10 10 TYR CB C 13 40.41 0.025 . 1 . . . A 539 TYR CB . 17519 1 101 . 1 1 10 10 TYR CD1 C 13 133.132 0.025 . 3 . . . A 539 TYR CD1 . 17519 1 102 . 1 1 10 10 TYR CE1 C 13 118.029 0.025 . 3 . . . A 539 TYR CE1 . 17519 1 103 . 1 1 10 10 TYR N N 15 124.488 0.044 . 1 . . . A 539 TYR N . 17519 1 104 . 1 1 11 11 TYR H H 1 9.58 0.001 . 1 . . . A 540 TYR H . 17519 1 105 . 1 1 11 11 TYR HA H 1 5.026 0.005 . 1 . . . A 540 TYR HA . 17519 1 106 . 1 1 11 11 TYR HB2 H 1 2.702 0.002 . 1 . . . A 540 TYR HB2 . 17519 1 107 . 1 1 11 11 TYR HB3 H 1 2.272 0.005 . 1 . . . A 540 TYR HB3 . 17519 1 108 . 1 1 11 11 TYR HD1 H 1 6.161 0.002 . 2 . . . A 540 TYR HD1 . 17519 1 109 . 1 1 11 11 TYR HE1 H 1 6.486 0 . 2 . . . A 540 TYR HE1 . 17519 1 110 . 1 1 11 11 TYR C C 13 173.346 0 . 1 . . . A 540 TYR C . 17519 1 111 . 1 1 11 11 TYR CA C 13 56.602 0.026 . 1 . . . A 540 TYR CA . 17519 1 112 . 1 1 11 11 TYR CB C 13 42.958 0.018 . 1 . . . A 540 TYR CB . 17519 1 113 . 1 1 11 11 TYR CD1 C 13 133.685 0.012 . 3 . . . A 540 TYR CD1 . 17519 1 114 . 1 1 11 11 TYR CE1 C 13 116.791 0.025 . 3 . . . A 540 TYR CE1 . 17519 1 115 . 1 1 11 11 TYR N N 15 125.848 0.043 . 1 . . . A 540 TYR N . 17519 1 116 . 1 1 12 12 LYS H H 1 8.406 0.002 . 1 . . . A 541 LYS H . 17519 1 117 . 1 1 12 12 LYS HA H 1 3.452 0.004 . 1 . . . A 541 LYS HA . 17519 1 118 . 1 1 12 12 LYS HB2 H 1 1.678 0.005 . 1 . . . A 541 LYS HB2 . 17519 1 119 . 1 1 12 12 LYS HB3 H 1 1.325 0.014 . 1 . . . A 541 LYS HB3 . 17519 1 120 . 1 1 12 12 LYS HG2 H 1 0.92 0.005 . 1 . . . A 541 LYS HG2 . 17519 1 121 . 1 1 12 12 LYS HG3 H 1 0.379 0.002 . 1 . . . A 541 LYS HG3 . 17519 1 122 . 1 1 12 12 LYS HD2 H 1 1.688 0.012 . 1 . . . A 541 LYS HD2 . 17519 1 123 . 1 1 12 12 LYS HD3 H 1 1.311 0.012 . 1 . . . A 541 LYS HD3 . 17519 1 124 . 1 1 12 12 LYS HE2 H 1 2.785 0.009 . 2 . . . A 541 LYS HE2 . 17519 1 125 . 1 1 12 12 LYS C C 13 172.904 0 . 1 . . . A 541 LYS C . 17519 1 126 . 1 1 12 12 LYS CA C 13 55.715 0.017 . 1 . . . A 541 LYS CA . 17519 1 127 . 1 1 12 12 LYS CB C 13 33.097 0.011 . 1 . . . A 541 LYS CB . 17519 1 128 . 1 1 12 12 LYS CG C 13 25.204 0.006 . 1 . . . A 541 LYS CG . 17519 1 129 . 1 1 12 12 LYS CD C 13 32.658 0.001 . 1 . . . A 541 LYS CD . 17519 1 130 . 1 1 12 12 LYS CE C 13 42.285 0.003 . 1 . . . A 541 LYS CE . 17519 1 131 . 1 1 12 12 LYS N N 15 131.489 0.042 . 1 . . . A 541 LYS N . 17519 1 132 . 1 1 13 13 LYS H H 1 7.515 0.001 . 1 . . . A 542 LYS H . 17519 1 133 . 1 1 13 13 LYS HA H 1 3.938 0.004 . 1 . . . A 542 LYS HA . 17519 1 134 . 1 1 13 13 LYS HB2 H 1 1.452 0.004 . 2 . . . A 542 LYS HB2 . 17519 1 135 . 1 1 13 13 LYS HG2 H 1 1.682 0.003 . 1 . . . A 542 LYS HG2 . 17519 1 136 . 1 1 13 13 LYS HG3 H 1 1.311 0.006 . 1 . . . A 542 LYS HG3 . 17519 1 137 . 1 1 13 13 LYS HD2 H 1 1.878 0.002 . 1 . . . A 542 LYS HD2 . 17519 1 138 . 1 1 13 13 LYS HD3 H 1 1.559 0.003 . 1 . . . A 542 LYS HD3 . 17519 1 139 . 1 1 13 13 LYS HE2 H 1 2.78 0.009 . 1 . . . A 542 LYS HE2 . 17519 1 140 . 1 1 13 13 LYS HE3 H 1 2.687 0.008 . 1 . . . A 542 LYS HE3 . 17519 1 141 . 1 1 13 13 LYS C C 13 180.078 0 . 1 . . . A 542 LYS C . 17519 1 142 . 1 1 13 13 LYS CA C 13 52.436 0.029 . 1 . . . A 542 LYS CA . 17519 1 143 . 1 1 13 13 LYS CB C 13 31.605 0.072 . 1 . . . A 542 LYS CB . 17519 1 144 . 1 1 13 13 LYS CG C 13 26.219 0 . 1 . . . A 542 LYS CG . 17519 1 145 . 1 1 13 13 LYS CD C 13 30.599 0.018 . 1 . . . A 542 LYS CD . 17519 1 146 . 1 1 13 13 LYS CE C 13 42.678 0.017 . 1 . . . A 542 LYS CE . 17519 1 147 . 1 1 13 13 LYS N N 15 125.132 0.015 . 1 . . . A 542 LYS N . 17519 1 148 . 1 1 14 14 GLY H H 1 7.629 0.004 . 1 . . . A 543 GLY H . 17519 1 149 . 1 1 14 14 GLY HA2 H 1 4.439 0.003 . 1 . . . A 543 GLY HA2 . 17519 1 150 . 1 1 14 14 GLY HA3 H 1 3.775 0 . 1 . . . A 543 GLY HA3 . 17519 1 151 . 1 1 14 14 GLY C C 13 174.151 0 . 1 . . . A 543 GLY C . 17519 1 152 . 1 1 14 14 GLY CA C 13 46.29 0.063 . 1 . . . A 543 GLY CA . 17519 1 153 . 1 1 14 14 GLY N N 15 112.724 0.02 . 1 . . . A 543 GLY N . 17519 1 154 . 1 1 15 15 PHE H H 1 8.557 0.005 . 1 . . . A 544 PHE H . 17519 1 155 . 1 1 15 15 PHE HA H 1 4.722 0.009 . 1 . . . A 544 PHE HA . 17519 1 156 . 1 1 15 15 PHE HD2 H 1 7.203 0.003 . 2 . . . A 544 PHE HD2 . 17519 1 157 . 1 1 15 15 PHE HE2 H 1 7.017 0.002 . 2 . . . A 544 PHE HE2 . 17519 1 158 . 1 1 15 15 PHE C C 13 175.876 0 . 1 . . . A 544 PHE C . 17519 1 159 . 1 1 15 15 PHE CA C 13 57.11 0.009 . 1 . . . A 544 PHE CA . 17519 1 160 . 1 1 15 15 PHE CB C 13 38.391 0.016 . 1 . . . A 544 PHE CB . 17519 1 161 . 1 1 15 15 PHE CD2 C 13 131.529 0 . 3 . . . A 544 PHE CD2 . 17519 1 162 . 1 1 15 15 PHE CE2 C 13 130.683 0 . 3 . . . A 544 PHE CE2 . 17519 1 163 . 1 1 15 15 PHE N N 15 121.583 0.025 . 1 . . . A 544 PHE N . 17519 1 164 . 1 1 16 16 ASN H H 1 8.561 0.003 . 1 . . . A 545 ASN H . 17519 1 165 . 1 1 16 16 ASN HA H 1 4.464 0.008 . 1 . . . A 545 ASN HA . 17519 1 166 . 1 1 16 16 ASN HB2 H 1 2.853 0.002 . 1 . . . A 545 ASN HB2 . 17519 1 167 . 1 1 16 16 ASN HB3 H 1 2.823 0.012 . 1 . . . A 545 ASN HB3 . 17519 1 168 . 1 1 16 16 ASN HD21 H 1 7.735 0 . 1 . . . A 545 ASN HD21 . 17519 1 169 . 1 1 16 16 ASN HD22 H 1 7.074 0 . 1 . . . A 545 ASN HD22 . 17519 1 170 . 1 1 16 16 ASN C C 13 176.289 0 . 1 . . . A 545 ASN C . 17519 1 171 . 1 1 16 16 ASN CA C 13 56.42 0.047 . 1 . . . A 545 ASN CA . 17519 1 172 . 1 1 16 16 ASN CB C 13 39.263 0.045 . 1 . . . A 545 ASN CB . 17519 1 173 . 1 1 16 16 ASN N N 15 117.559 0.039 . 1 . . . A 545 ASN N . 17519 1 174 . 1 1 16 16 ASN ND2 N 15 114.178 0.001 . 1 . . . A 545 ASN ND2 . 17519 1 175 . 1 1 17 17 SER HA H 1 4.862 0.009 . 1 . . . A 546 SER HA . 17519 1 176 . 1 1 17 17 SER HB2 H 1 3.773 0.005 . 2 . . . A 546 SER HB2 . 17519 1 177 . 1 1 17 17 SER CA C 13 53.586 0.006 . 1 . . . A 546 SER CA . 17519 1 178 . 1 1 17 17 SER CB C 13 63.708 0.008 . 1 . . . A 546 SER CB . 17519 1 179 . 1 1 17 17 SER N N 15 112.901 0.034 . 1 . . . A 546 SER N . 17519 1 180 . 1 1 18 18 PRO HA H 1 4.593 0.002 . 1 . . . A 547 PRO HA . 17519 1 181 . 1 1 18 18 PRO HB2 H 1 1.715 0.01 . 1 . . . A 547 PRO HB2 . 17519 1 182 . 1 1 18 18 PRO HB3 H 1 1.314 0.004 . 1 . . . A 547 PRO HB3 . 17519 1 183 . 1 1 18 18 PRO HG2 H 1 1.819 0.007 . 2 . . . A 547 PRO HG2 . 17519 1 184 . 1 1 18 18 PRO HD2 H 1 3.613 0.007 . 1 . . . A 547 PRO HD2 . 17519 1 185 . 1 1 18 18 PRO HD3 H 1 3.551 0.011 . 1 . . . A 547 PRO HD3 . 17519 1 186 . 1 1 18 18 PRO C C 13 175.806 0 . 1 . . . A 547 PRO C . 17519 1 187 . 1 1 18 18 PRO CA C 13 62.521 0.017 . 1 . . . A 547 PRO CA . 17519 1 188 . 1 1 18 18 PRO CB C 13 32.663 0.029 . 1 . . . A 547 PRO CB . 17519 1 189 . 1 1 18 18 PRO CG C 13 27.977 0 . 1 . . . A 547 PRO CG . 17519 1 190 . 1 1 18 18 PRO CD C 13 48.962 0.003 . 1 . . . A 547 PRO CD . 17519 1 191 . 1 1 19 19 TYR H H 1 9.141 0.002 . 1 . . . A 548 TYR H . 17519 1 192 . 1 1 19 19 TYR HA H 1 4.877 0.009 . 1 . . . A 548 TYR HA . 17519 1 193 . 1 1 19 19 TYR HB2 H 1 2.605 0.004 . . . . . A 548 TYR HB2 . 17519 1 194 . 1 1 19 19 TYR HB3 H 1 2.353 0.006 . . . . . A 548 TYR HB3 . 17519 1 195 . 1 1 19 19 TYR HD1 H 1 6.682 0 . 2 . . . A 548 TYR HD1 . 17519 1 196 . 1 1 19 19 TYR HE1 H 1 6.605 0.002 . 2 . . . A 548 TYR HE1 . 17519 1 197 . 1 1 19 19 TYR C C 13 174.66 0 . 1 . . . A 548 TYR C . 17519 1 198 . 1 1 19 19 TYR CA C 13 56.66 0.035 . 1 . . . A 548 TYR CA . 17519 1 199 . 1 1 19 19 TYR CB C 13 40.462 0.012 . 1 . . . A 548 TYR CB . 17519 1 200 . 1 1 19 19 TYR CD1 C 13 132.466 0 . 3 . . . A 548 TYR CD1 . 17519 1 201 . 1 1 19 19 TYR CE1 C 13 117.258 0.035 . 3 . . . A 548 TYR CE1 . 17519 1 202 . 1 1 19 19 TYR N N 15 122.23 0.052 . 1 . . . A 548 TYR N . 17519 1 203 . 1 1 20 20 ILE HA H 1 5.072 0.005 . 1 . . . A 549 ILE HA . 17519 1 204 . 1 1 20 20 ILE HB H 1 2.061 0.004 . 1 . . . A 549 ILE HB . 17519 1 205 . 1 1 20 20 ILE HG12 H 1 1.07 0.007 . 1 . . . A 549 ILE HG12 . 17519 1 206 . 1 1 20 20 ILE HG13 H 1 1.208 0.02 . 1 . . . A 549 ILE HG13 . 17519 1 207 . 1 1 20 20 ILE HG21 H 1 1.185 0.005 . 1 . . . A 549 ILE HG21 . 17519 1 208 . 1 1 20 20 ILE HG22 H 1 1.185 0.005 . 1 . . . A 549 ILE HG22 . 17519 1 209 . 1 1 20 20 ILE HG23 H 1 1.185 0.005 . 1 . . . A 549 ILE HG23 . 17519 1 210 . 1 1 20 20 ILE HD11 H 1 0.458 0.002 . 1 . . . A 549 ILE HD11 . 17519 1 211 . 1 1 20 20 ILE HD12 H 1 0.458 0.002 . 1 . . . A 549 ILE HD12 . 17519 1 212 . 1 1 20 20 ILE HD13 H 1 0.458 0.002 . 1 . . . A 549 ILE HD13 . 17519 1 213 . 1 1 20 20 ILE C C 13 171.422 0 . 1 . . . A 549 ILE C . 17519 1 214 . 1 1 20 20 ILE CA C 13 58.429 0.022 . 1 . . . A 549 ILE CA . 17519 1 215 . 1 1 20 20 ILE CB C 13 41.756 0.04 . 1 . . . A 549 ILE CB . 17519 1 216 . 1 1 20 20 ILE CG1 C 13 28.729 0.011 . 1 . . . A 549 ILE CG1 . 17519 1 217 . 1 1 20 20 ILE CG2 C 13 15.564 0.027 . 1 . . . A 549 ILE CG2 . 17519 1 218 . 1 1 20 20 ILE CD1 C 13 12.602 0.014 . 1 . . . A 549 ILE CD1 . 17519 1 219 . 1 1 20 20 ILE N N 15 118.425 0.021 . 1 . . . A 549 ILE N . 17519 1 220 . 1 1 21 21 HIS H H 1 8.956 0.001 . 1 . . . A 550 HIS H . 17519 1 221 . 1 1 21 21 HIS HA H 1 5.363 0.008 . 1 . . . A 550 HIS HA . 17519 1 222 . 1 1 21 21 HIS HB2 H 1 3.193 0.005 . . . . . A 550 HIS HB2 . 17519 1 223 . 1 1 21 21 HIS HB3 H 1 2.753 0.011 . . . . . A 550 HIS HB3 . 17519 1 224 . 1 1 21 21 HIS HD1 H 1 6.429 0.001 . 1 . . . A 550 HIS HD1 . 17519 1 225 . 1 1 21 21 HIS HE1 H 1 7.862 0.002 . 1 . . . A 550 HIS HE1 . 17519 1 226 . 1 1 21 21 HIS C C 13 174.988 0 . 1 . . . A 550 HIS C . 17519 1 227 . 1 1 21 21 HIS CA C 13 53.915 0.024 . 1 . . . A 550 HIS CA . 17519 1 228 . 1 1 21 21 HIS CB C 13 34.774 0.027 . 1 . . . A 550 HIS CB . 17519 1 229 . 1 1 21 21 HIS CD2 C 13 117.804 0 . 1 . . . A 550 HIS CD2 . 17519 1 230 . 1 1 21 21 HIS CE1 C 13 140.416 0 . 1 . . . A 550 HIS CE1 . 17519 1 231 . 1 1 21 21 HIS N N 15 133.248 0.025 . 1 . . . A 550 HIS N . 17519 1 232 . 1 1 22 22 TYR H H 1 8.204 0.004 . 1 . . . A 551 TYR H . 17519 1 233 . 1 1 22 22 TYR HA H 1 6.183 0.008 . 1 . . . A 551 TYR HA . 17519 1 234 . 1 1 22 22 TYR HB2 H 1 2.922 0.006 . 1 . . . A 551 TYR HB2 . 17519 1 235 . 1 1 22 22 TYR HB3 H 1 2.631 0.003 . 1 . . . A 551 TYR HB3 . 17519 1 236 . 1 1 22 22 TYR HD2 H 1 6.658 0.005 . 2 . . . A 551 TYR HD2 . 17519 1 237 . 1 1 22 22 TYR HE2 H 1 6.652 0.006 . 2 . . . A 551 TYR HE2 . 17519 1 238 . 1 1 22 22 TYR C C 13 173.934 0 . 1 . . . A 551 TYR C . 17519 1 239 . 1 1 22 22 TYR CA C 13 56.668 0.02 . 1 . . . A 551 TYR CA . 17519 1 240 . 1 1 22 22 TYR CB C 13 42.718 0.024 . 1 . . . A 551 TYR CB . 17519 1 241 . 1 1 22 22 TYR CD2 C 13 133.21 0.022 . 3 . . . A 551 TYR CD2 . 17519 1 242 . 1 1 22 22 TYR CE2 C 13 118.225 0 . 3 . . . A 551 TYR CE2 . 17519 1 243 . 1 1 22 22 TYR N N 15 121.831 0.042 . 1 . . . A 551 TYR N . 17519 1 244 . 1 1 23 23 ARG H H 1 8.674 0.002 . 1 . . . A 552 ARG H . 17519 1 245 . 1 1 23 23 ARG HA H 1 4.762 0.008 . 1 . . . A 552 ARG HA . 17519 1 246 . 1 1 23 23 ARG HB2 H 1 0.399 0.007 . 1 . . . A 552 ARG HB2 . 17519 1 247 . 1 1 23 23 ARG HB3 H 1 0.356 0.008 . 1 . . . A 552 ARG HB3 . 17519 1 248 . 1 1 23 23 ARG HG2 H 1 0.649 0.007 . 1 . . . A 552 ARG HG2 . 17519 1 249 . 1 1 23 23 ARG HG3 H 1 -0.395 0 . 1 . . . A 552 ARG HG3 . 17519 1 250 . 1 1 23 23 ARG HD2 H 1 2.283 0.005 . 1 . . . A 552 ARG HD2 . 17519 1 251 . 1 1 23 23 ARG HD3 H 1 1.125 0.01 . 1 . . . A 552 ARG HD3 . 17519 1 252 . 1 1 23 23 ARG HE H 1 7.16 0 . 1 . . . A 552 ARG HE . 17519 1 253 . 1 1 23 23 ARG CA C 13 52.48 0.017 . 1 . . . A 552 ARG CA . 17519 1 254 . 1 1 23 23 ARG CB C 13 32.038 0.009 . 1 . . . A 552 ARG CB . 17519 1 255 . 1 1 23 23 ARG CG C 13 23.1 0.018 . 1 . . . A 552 ARG CG . 17519 1 256 . 1 1 23 23 ARG CD C 13 43.637 0.029 . 1 . . . A 552 ARG CD . 17519 1 257 . 1 1 23 23 ARG N N 15 115.619 0.033 . 1 . . . A 552 ARG N . 17519 1 258 . 1 1 23 23 ARG NE N 15 118.286 0 . 1 . . . A 552 ARG NE . 17519 1 259 . 1 1 24 24 PRO HA H 1 4.556 0.002 . 1 . . . A 553 PRO HA . 17519 1 260 . 1 1 24 24 PRO HB2 H 1 2.187 0.012 . 1 . . . A 553 PRO HB2 . 17519 1 261 . 1 1 24 24 PRO HB3 H 1 1.849 0.004 . 1 . . . A 553 PRO HB3 . 17519 1 262 . 1 1 24 24 PRO HG2 H 1 2.204 0.009 . 1 . . . A 553 PRO HG2 . 17519 1 263 . 1 1 24 24 PRO HG3 H 1 1.982 0.004 . 1 . . . A 553 PRO HG3 . 17519 1 264 . 1 1 24 24 PRO HD2 H 1 3.832 0.004 . 1 . . . A 553 PRO HD2 . 17519 1 265 . 1 1 24 24 PRO HD3 H 1 3.652 0.007 . 1 . . . A 553 PRO HD3 . 17519 1 266 . 1 1 24 24 PRO C C 13 176.736 0 . 1 . . . A 553 PRO C . 17519 1 267 . 1 1 24 24 PRO CA C 13 62.352 0.027 . 1 . . . A 553 PRO CA . 17519 1 268 . 1 1 24 24 PRO CB C 13 31.88 0.043 . 1 . . . A 553 PRO CB . 17519 1 269 . 1 1 24 24 PRO CG C 13 28.263 0.014 . 1 . . . A 553 PRO CG . 17519 1 270 . 1 1 24 24 PRO CD C 13 50.917 0.018 . 1 . . . A 553 PRO CD . 17519 1 271 . 1 1 25 25 ALA H H 1 8.293 0.001 . 1 . . . A 554 ALA H . 17519 1 272 . 1 1 25 25 ALA HA H 1 4.022 0.001 . 1 . . . A 554 ALA HA . 17519 1 273 . 1 1 25 25 ALA HB1 H 1 1.337 0.001 . 1 . . . A 554 ALA HB1 . 17519 1 274 . 1 1 25 25 ALA HB2 H 1 1.337 0.001 . 1 . . . A 554 ALA HB2 . 17519 1 275 . 1 1 25 25 ALA HB3 H 1 1.337 0.001 . 1 . . . A 554 ALA HB3 . 17519 1 276 . 1 1 25 25 ALA C C 13 179.217 0 . 1 . . . A 554 ALA C . 17519 1 277 . 1 1 25 25 ALA CA C 13 54.085 0.072 . 1 . . . A 554 ALA CA . 17519 1 278 . 1 1 25 25 ALA CB C 13 18.232 0.05 . 1 . . . A 554 ALA CB . 17519 1 279 . 1 1 25 25 ALA N N 15 125.908 0.047 . 1 . . . A 554 ALA N . 17519 1 280 . 1 1 26 26 GLY H H 1 8.602 0.007 . 1 . . . A 555 GLY H . 17519 1 281 . 1 1 26 26 GLY HA2 H 1 4.085 0.008 . 1 . . . A 555 GLY HA2 . 17519 1 282 . 1 1 26 26 GLY HA3 H 1 3.661 0.006 . 1 . . . A 555 GLY HA3 . 17519 1 283 . 1 1 26 26 GLY C C 13 174.796 0 . 1 . . . A 555 GLY C . 17519 1 284 . 1 1 26 26 GLY CA C 13 45.641 0.007 . 1 . . . A 555 GLY CA . 17519 1 285 . 1 1 26 26 GLY N N 15 111.766 0.013 . 1 . . . A 555 GLY N . 17519 1 286 . 1 1 27 27 GLY H H 1 8.494 0.002 . 1 . . . A 556 GLY H . 17519 1 287 . 1 1 27 27 GLY HA2 H 1 4.554 0.001 . 1 . . . A 556 GLY HA2 . 17519 1 288 . 1 1 27 27 GLY HA3 H 1 3.421 0.005 . 1 . . . A 556 GLY HA3 . 17519 1 289 . 1 1 27 27 GLY C C 13 173.368 0 . 1 . . . A 556 GLY C . 17519 1 290 . 1 1 27 27 GLY CA C 13 44.206 0.044 . 1 . . . A 556 GLY CA . 17519 1 291 . 1 1 27 27 GLY N N 15 109.512 0.031 . 1 . . . A 556 GLY N . 17519 1 292 . 1 1 28 28 SER H H 1 8.681 0.007 . 1 . . . A 557 SER H . 17519 1 293 . 1 1 28 28 SER HA H 1 4.69 0.003 . 1 . . . A 557 SER HA . 17519 1 294 . 1 1 28 28 SER HB2 H 1 3.894 0.009 . . . . . A 557 SER HB2 . 17519 1 295 . 1 1 28 28 SER HB3 H 1 3.706 0.007 . . . . . A 557 SER HB3 . 17519 1 296 . 1 1 28 28 SER C C 13 173.656 0 . 1 . . . A 557 SER C . 17519 1 297 . 1 1 28 28 SER CA C 13 57.492 0.08 . 1 . . . A 557 SER CA . 17519 1 298 . 1 1 28 28 SER CB C 13 64.803 0.007 . 1 . . . A 557 SER CB . 17519 1 299 . 1 1 28 28 SER N N 15 117.962 0.032 . 1 . . . A 557 SER N . 17519 1 300 . 1 1 29 29 TRP H H 1 8.392 0.007 . 1 . . . A 558 TRP H . 17519 1 301 . 1 1 29 29 TRP HA H 1 4.452 0.008 . 1 . . . A 558 TRP HA . 17519 1 302 . 1 1 29 29 TRP HB2 H 1 3.339 0.008 . . . . . A 558 TRP HB2 . 17519 1 303 . 1 1 29 29 TRP HB3 H 1 2.888 0.007 . . . . . A 558 TRP HB3 . 17519 1 304 . 1 1 29 29 TRP HD1 H 1 7.342 0.006 . 1 . . . A 558 TRP HD1 . 17519 1 305 . 1 1 29 29 TRP HE1 H 1 9.928 0.011 . 1 . . . A 558 TRP HE1 . 17519 1 306 . 1 1 29 29 TRP HE3 H 1 6.778 0.023 . 1 . . . A 558 TRP HE3 . 17519 1 307 . 1 1 29 29 TRP HZ2 H 1 7.144 0.002 . 1 . . . A 558 TRP HZ2 . 17519 1 308 . 1 1 29 29 TRP HZ3 H 1 6.734 0.005 . 1 . . . A 558 TRP HZ3 . 17519 1 309 . 1 1 29 29 TRP HH2 H 1 6.218 0.003 . 1 . . . A 558 TRP HH2 . 17519 1 310 . 1 1 29 29 TRP C C 13 178.891 0 . 1 . . . A 558 TRP C . 17519 1 311 . 1 1 29 29 TRP CA C 13 58.074 0.066 . 1 . . . A 558 TRP CA . 17519 1 312 . 1 1 29 29 TRP CB C 13 30.706 0.042 . 1 . . . A 558 TRP CB . 17519 1 313 . 1 1 29 29 TRP CD1 C 13 126.964 0.028 . 1 . . . A 558 TRP CD1 . 17519 1 314 . 1 1 29 29 TRP CE3 C 13 122.434 0.039 . 1 . . . A 558 TRP CE3 . 17519 1 315 . 1 1 29 29 TRP CZ2 C 13 113.555 0.009 . 1 . . . A 558 TRP CZ2 . 17519 1 316 . 1 1 29 29 TRP CZ3 C 13 123.886 0.02 . 1 . . . A 558 TRP CZ3 . 17519 1 317 . 1 1 29 29 TRP CH2 C 13 120.408 0.006 . 1 . . . A 558 TRP CH2 . 17519 1 318 . 1 1 29 29 TRP N N 15 123.928 0.033 . 1 . . . A 558 TRP N . 17519 1 319 . 1 1 29 29 TRP NE1 N 15 128.692 0.092 . 1 . . . A 558 TRP NE1 . 17519 1 320 . 1 1 30 30 THR H H 1 7.953 0.002 . 1 . . . A 559 THR H . 17519 1 321 . 1 1 30 30 THR HA H 1 4.037 0.002 . 1 . . . A 559 THR HA . 17519 1 322 . 1 1 30 30 THR HB H 1 4.306 0.002 . 1 . . . A 559 THR HB . 17519 1 323 . 1 1 30 30 THR HG21 H 1 0.685 0.001 . 1 . . . A 559 THR HG21 . 17519 1 324 . 1 1 30 30 THR HG22 H 1 0.685 0.001 . 1 . . . A 559 THR HG22 . 17519 1 325 . 1 1 30 30 THR HG23 H 1 0.685 0.001 . 1 . . . A 559 THR HG23 . 17519 1 326 . 1 1 30 30 THR C C 13 174.782 0 . 1 . . . A 559 THR C . 17519 1 327 . 1 1 30 30 THR CA C 13 61.321 0.081 . 1 . . . A 559 THR CA . 17519 1 328 . 1 1 30 30 THR CB C 13 70.561 0.055 . 1 . . . A 559 THR CB . 17519 1 329 . 1 1 30 30 THR CG2 C 13 22.119 0.005 . 1 . . . A 559 THR CG2 . 17519 1 330 . 1 1 30 30 THR N N 15 111.067 0.047 . 1 . . . A 559 THR N . 17519 1 331 . 1 1 31 31 ALA H H 1 8.437 0.003 . 1 . . . A 560 ALA H . 17519 1 332 . 1 1 31 31 ALA HA H 1 4.451 0.004 . 1 . . . A 560 ALA HA . 17519 1 333 . 1 1 31 31 ALA HB1 H 1 1.405 0.002 . 1 . . . A 560 ALA HB1 . 17519 1 334 . 1 1 31 31 ALA HB2 H 1 1.405 0.002 . 1 . . . A 560 ALA HB2 . 17519 1 335 . 1 1 31 31 ALA HB3 H 1 1.405 0.002 . 1 . . . A 560 ALA HB3 . 17519 1 336 . 1 1 31 31 ALA C C 13 178.493 0 . 1 . . . A 560 ALA C . 17519 1 337 . 1 1 31 31 ALA CA C 13 51.914 0.092 . 1 . . . A 560 ALA CA . 17519 1 338 . 1 1 31 31 ALA CB C 13 17.999 0.065 . 1 . . . A 560 ALA CB . 17519 1 339 . 1 1 31 31 ALA N N 15 123.046 0.048 . 1 . . . A 560 ALA N . 17519 1 340 . 1 1 32 32 ALA H H 1 8.828 0.004 . 1 . . . A 561 ALA H . 17519 1 341 . 1 1 32 32 ALA HA H 1 3.941 0.005 . 1 . . . A 561 ALA HA . 17519 1 342 . 1 1 32 32 ALA HB1 H 1 1.079 0.001 . 1 . . . A 561 ALA HB1 . 17519 1 343 . 1 1 32 32 ALA HB2 H 1 1.079 0.001 . 1 . . . A 561 ALA HB2 . 17519 1 344 . 1 1 32 32 ALA HB3 H 1 1.079 0.001 . 1 . . . A 561 ALA HB3 . 17519 1 345 . 1 1 32 32 ALA CA C 13 51.756 0.099 . 1 . . . A 561 ALA CA . 17519 1 346 . 1 1 32 32 ALA CB C 13 16.15 0.059 . 1 . . . A 561 ALA CB . 17519 1 347 . 1 1 32 32 ALA N N 15 129.644 0.025 . 1 . . . A 561 ALA N . 17519 1 348 . 1 1 33 33 PRO HA H 1 3.898 0.004 . 1 . . . A 562 PRO HA . 17519 1 349 . 1 1 33 33 PRO HB2 H 1 1.982 0.002 . 1 . . . A 562 PRO HB2 . 17519 1 350 . 1 1 33 33 PRO HB3 H 1 1.687 0.004 . 1 . . . A 562 PRO HB3 . 17519 1 351 . 1 1 33 33 PRO HG2 H 1 1.434 0.004 . 1 . . . A 562 PRO HG2 . 17519 1 352 . 1 1 33 33 PRO HG3 H 1 1.172 0.007 . 1 . . . A 562 PRO HG3 . 17519 1 353 . 1 1 33 33 PRO HD2 H 1 3.529 0.008 . 1 . . . A 562 PRO HD2 . 17519 1 354 . 1 1 33 33 PRO HD3 H 1 3.295 0.007 . 1 . . . A 562 PRO HD3 . 17519 1 355 . 1 1 33 33 PRO C C 13 173.28 0 . 1 . . . A 562 PRO C . 17519 1 356 . 1 1 33 33 PRO CA C 13 63.439 0.129 . 1 . . . A 562 PRO CA . 17519 1 357 . 1 1 33 33 PRO CB C 13 33.511 0.014 . 1 . . . A 562 PRO CB . 17519 1 358 . 1 1 33 33 PRO CG C 13 23.748 0.023 . 1 . . . A 562 PRO CG . 17519 1 359 . 1 1 33 33 PRO CD C 13 50.074 0.012 . 1 . . . A 562 PRO CD . 17519 1 360 . 1 1 34 34 GLY H H 1 8.763 0.006 . 1 . . . A 563 GLY H . 17519 1 361 . 1 1 34 34 GLY HA2 H 1 5.026 0.003 . 1 . . . A 563 GLY HA2 . 17519 1 362 . 1 1 34 34 GLY HA3 H 1 3.633 0.006 . 1 . . . A 563 GLY HA3 . 17519 1 363 . 1 1 34 34 GLY C C 13 173.977 0 . 1 . . . A 563 GLY C . 17519 1 364 . 1 1 34 34 GLY CA C 13 43.949 0.032 . 1 . . . A 563 GLY CA . 17519 1 365 . 1 1 34 34 GLY N N 15 112.224 0.043 . 1 . . . A 563 GLY N . 17519 1 366 . 1 1 35 35 VAL HA H 1 4.401 0.003 . 1 . . . A 564 VAL HA . 17519 1 367 . 1 1 35 35 VAL HB H 1 2.089 0.001 . 1 . . . A 564 VAL HB . 17519 1 368 . 1 1 35 35 VAL HG11 H 1 1.084 0.044 . 1 . . . A 564 VAL HG11 . 17519 1 369 . 1 1 35 35 VAL HG12 H 1 1.084 0.044 . 1 . . . A 564 VAL HG12 . 17519 1 370 . 1 1 35 35 VAL HG13 H 1 1.084 0.044 . 1 . . . A 564 VAL HG13 . 17519 1 371 . 1 1 35 35 VAL HG21 H 1 1.093 0.05 . 1 . . . A 564 VAL HG21 . 17519 1 372 . 1 1 35 35 VAL HG22 H 1 1.093 0.05 . 1 . . . A 564 VAL HG22 . 17519 1 373 . 1 1 35 35 VAL HG23 H 1 1.093 0.05 . 1 . . . A 564 VAL HG23 . 17519 1 374 . 1 1 35 35 VAL C C 13 174.734 0 . 1 . . . A 564 VAL C . 17519 1 375 . 1 1 35 35 VAL CA C 13 60.888 0.022 . 1 . . . A 564 VAL CA . 17519 1 376 . 1 1 35 35 VAL CB C 13 34.901 0.034 . 1 . . . A 564 VAL CB . 17519 1 377 . 1 1 35 35 VAL CG1 C 13 21.512 0.001 . 1 . . . A 564 VAL CG1 . 17519 1 378 . 1 1 35 35 VAL CG2 C 13 21.886 0.008 . 1 . . . A 564 VAL CG2 . 17519 1 379 . 1 1 35 35 VAL N N 15 123.427 0.041 . 1 . . . A 564 VAL N . 17519 1 380 . 1 1 36 36 LYS H H 1 8.486 0.005 . 1 . . . A 565 LYS H . 17519 1 381 . 1 1 36 36 LYS HA H 1 3.109 0.003 . 1 . . . A 565 LYS HA . 17519 1 382 . 1 1 36 36 LYS HB2 H 1 1.432 0.005 . 1 . . . A 565 LYS HB2 . 17519 1 383 . 1 1 36 36 LYS HB3 H 1 1.067 0.002 . 1 . . . A 565 LYS HB3 . 17519 1 384 . 1 1 36 36 LYS HG2 H 1 1.429 0.004 . 2 . . . A 565 LYS HG2 . 17519 1 385 . 1 1 36 36 LYS HD2 H 1 0.957 0.004 . 1 . . . A 565 LYS HD2 . 17519 1 386 . 1 1 36 36 LYS HD3 H 1 0.592 0.002 . 1 . . . A 565 LYS HD3 . 17519 1 387 . 1 1 36 36 LYS HE2 H 1 2.822 0.002 . 2 . . . A 565 LYS HE2 . 17519 1 388 . 1 1 36 36 LYS C C 13 176.437 0 . 1 . . . A 565 LYS C . 17519 1 389 . 1 1 36 36 LYS CA C 13 57.187 0.05 . 1 . . . A 565 LYS CA . 17519 1 390 . 1 1 36 36 LYS CB C 13 32.414 0.027 . 1 . . . A 565 LYS CB . 17519 1 391 . 1 1 36 36 LYS CG C 13 28.954 0.014 . 1 . . . A 565 LYS CG . 17519 1 392 . 1 1 36 36 LYS CD C 13 24.95 0.01 . 1 . . . A 565 LYS CD . 17519 1 393 . 1 1 36 36 LYS CE C 13 42.013 0.013 . 1 . . . A 565 LYS CE . 17519 1 394 . 1 1 36 36 LYS N N 15 128.212 0.038 . 1 . . . A 565 LYS N . 17519 1 395 . 1 1 37 37 MET H H 1 8.202 0.001 . 1 . . . A 566 MET H . 17519 1 396 . 1 1 37 37 MET HA H 1 4.228 0.002 . 1 . . . A 566 MET HA . 17519 1 397 . 1 1 37 37 MET HB2 H 1 2.011 0.011 . 1 . . . A 566 MET HB2 . 17519 1 398 . 1 1 37 37 MET HB3 H 1 1.689 0.014 . 1 . . . A 566 MET HB3 . 17519 1 399 . 1 1 37 37 MET HG2 H 1 2.463 0.005 . 1 . . . A 566 MET HG2 . 17519 1 400 . 1 1 37 37 MET HG3 H 1 2.062 0.008 . 1 . . . A 566 MET HG3 . 17519 1 401 . 1 1 37 37 MET HE1 H 1 1.778 0.002 . 1 . . . A 566 MET HE1 . 17519 1 402 . 1 1 37 37 MET HE2 H 1 1.778 0.002 . 1 . . . A 566 MET HE2 . 17519 1 403 . 1 1 37 37 MET HE3 H 1 1.778 0.002 . 1 . . . A 566 MET HE3 . 17519 1 404 . 1 1 37 37 MET C C 13 175.652 0 . 1 . . . A 566 MET C . 17519 1 405 . 1 1 37 37 MET CA C 13 56.485 0.03 . 1 . . . A 566 MET CA . 17519 1 406 . 1 1 37 37 MET CB C 13 35.011 0.05 . 1 . . . A 566 MET CB . 17519 1 407 . 1 1 37 37 MET CG C 13 34.075 0.01 . 1 . . . A 566 MET CG . 17519 1 408 . 1 1 37 37 MET CE C 13 17.831 0.015 . 1 . . . A 566 MET CE . 17519 1 409 . 1 1 37 37 MET N N 15 124.964 0.033 . 1 . . . A 566 MET N . 17519 1 410 . 1 1 38 38 GLN H H 1 8.489 0.008 . 1 . . . A 567 GLN H . 17519 1 411 . 1 1 38 38 GLN HA H 1 4.437 0.004 . 1 . . . A 567 GLN HA . 17519 1 412 . 1 1 38 38 GLN HB2 H 1 2.184 0.01 . 1 . . . A 567 GLN HB2 . 17519 1 413 . 1 1 38 38 GLN HB3 H 1 2.035 0.003 . 1 . . . A 567 GLN HB3 . 17519 1 414 . 1 1 38 38 GLN HG2 H 1 2.478 0.01 . 1 . . . A 567 GLN HG2 . 17519 1 415 . 1 1 38 38 GLN HG3 H 1 2.397 0.007 . 1 . . . A 567 GLN HG3 . 17519 1 416 . 1 1 38 38 GLN HE21 H 1 7.479 0 . 1 . . . . 567 GLN HE21 . 17519 1 417 . 1 1 38 38 GLN HE22 H 1 6.822 0 . 1 . . . A 567 GLN HE22 . 17519 1 418 . 1 1 38 38 GLN C C 13 175.809 0 . 1 . . . A 567 GLN C . 17519 1 419 . 1 1 38 38 GLN CA C 13 54.822 0.016 . 1 . . . A 567 GLN CA . 17519 1 420 . 1 1 38 38 GLN CB C 13 30.182 0.044 . 1 . . . A 567 GLN CB . 17519 1 421 . 1 1 38 38 GLN CG C 13 33.869 0.005 . 1 . . . A 567 GLN CG . 17519 1 422 . 1 1 38 38 GLN N N 15 121.561 0.025 . 1 . . . A 567 GLN N . 17519 1 423 . 1 1 38 38 GLN NE2 N 15 112.055 0.001 . 1 . . . A 567 GLN NE2 . 17519 1 424 . 1 1 39 39 ASP H H 1 8.78 0.004 . 1 . . . A 568 ASP H . 17519 1 425 . 1 1 39 39 ASP HA H 1 4.783 0.005 . 1 . . . A 568 ASP HA . 17519 1 426 . 1 1 39 39 ASP HB2 H 1 2.939 0.008 . 1 . . . A 568 ASP HB2 . 17519 1 427 . 1 1 39 39 ASP HB3 H 1 2.61 0.007 . 1 . . . A 568 ASP HB3 . 17519 1 428 . 1 1 39 39 ASP C C 13 176.715 0 . 1 . . . A 568 ASP C . 17519 1 429 . 1 1 39 39 ASP CA C 13 56.167 0.047 . 1 . . . A 568 ASP CA . 17519 1 430 . 1 1 39 39 ASP CB C 13 40.239 0.026 . 1 . . . A 568 ASP CB . 17519 1 431 . 1 1 39 39 ASP N N 15 121.881 0.057 . 1 . . . A 568 ASP N . 17519 1 432 . 1 1 40 40 ALA H H 1 8.463 0.002 . 1 . . . A 569 ALA H . 17519 1 433 . 1 1 40 40 ALA HA H 1 4.352 0.003 . 1 . . . A 569 ALA HA . 17519 1 434 . 1 1 40 40 ALA HB1 H 1 1.56 0.004 . 1 . . . A 569 ALA HB1 . 17519 1 435 . 1 1 40 40 ALA HB2 H 1 1.56 0.004 . 1 . . . A 569 ALA HB2 . 17519 1 436 . 1 1 40 40 ALA HB3 H 1 1.56 0.004 . 1 . . . A 569 ALA HB3 . 17519 1 437 . 1 1 40 40 ALA C C 13 175.165 0 . 1 . . . A 569 ALA C . 17519 1 438 . 1 1 40 40 ALA CA C 13 50.493 0.057 . 1 . . . A 569 ALA CA . 17519 1 439 . 1 1 40 40 ALA CB C 13 21.735 0.039 . 1 . . . A 569 ALA CB . 17519 1 440 . 1 1 40 40 ALA N N 15 122.696 0.042 . 1 . . . A 569 ALA N . 17519 1 441 . 1 1 41 41 GLU H H 1 10.398 0.001 . 1 . . . A 570 GLU H . 17519 1 442 . 1 1 41 41 GLU HA H 1 4.351 0.003 . 1 . . . A 570 GLU HA . 17519 1 443 . 1 1 41 41 GLU HB2 H 1 2.146 0.004 . 2 . . . A 570 GLU HB2 . 17519 1 444 . 1 1 41 41 GLU HG2 H 1 2.577 0.004 . 1 . . . A 570 GLU HG2 . 17519 1 445 . 1 1 41 41 GLU HG3 H 1 2.205 0.007 . 1 . . . A 570 GLU HG3 . 17519 1 446 . 1 1 41 41 GLU C C 13 174.683 0 . 1 . . . A 570 GLU C . 17519 1 447 . 1 1 41 41 GLU CA C 13 57.525 0.049 . 1 . . . A 570 GLU CA . 17519 1 448 . 1 1 41 41 GLU CB C 13 27.231 0.026 . 1 . . . A 570 GLU CB . 17519 1 449 . 1 1 41 41 GLU CG C 13 35.116 0.013 . 1 . . . A 570 GLU CG . 17519 1 450 . 1 1 41 41 GLU N N 15 120.083 0.033 . 1 . . . A 570 GLU N . 17519 1 451 . 1 1 42 42 ILE H H 1 6.526 0.001 . 1 . . . A 571 ILE H . 17519 1 452 . 1 1 42 42 ILE HA H 1 4.379 0.005 . 1 . . . A 571 ILE HA . 17519 1 453 . 1 1 42 42 ILE HB H 1 1.472 0.006 . 1 . . . A 571 ILE HB . 17519 1 454 . 1 1 42 42 ILE HG12 H 1 1.074 0.002 . 1 . . . A 571 ILE HG12 . 17519 1 455 . 1 1 42 42 ILE HG13 H 1 1.3 0.005 . 1 . . . A 571 ILE HG13 . 17519 1 456 . 1 1 42 42 ILE HG21 H 1 0.854 0.002 . 1 . . . A 571 ILE HG21 . 17519 1 457 . 1 1 42 42 ILE HG22 H 1 0.854 0.002 . 1 . . . A 571 ILE HG22 . 17519 1 458 . 1 1 42 42 ILE HG23 H 1 0.854 0.002 . 1 . . . A 571 ILE HG23 . 17519 1 459 . 1 1 42 42 ILE HD11 H 1 0.496 0.003 . 1 . . . A 571 ILE HD11 . 17519 1 460 . 1 1 42 42 ILE HD12 H 1 0.496 0.003 . 1 . . . A 571 ILE HD12 . 17519 1 461 . 1 1 42 42 ILE HD13 H 1 0.496 0.003 . 1 . . . A 571 ILE HD13 . 17519 1 462 . 1 1 42 42 ILE C C 13 174.913 0 . 1 . . . A 571 ILE C . 17519 1 463 . 1 1 42 42 ILE CA C 13 58.82 0.004 . 1 . . . A 571 ILE CA . 17519 1 464 . 1 1 42 42 ILE CB C 13 39.586 0.012 . 1 . . . A 571 ILE CB . 17519 1 465 . 1 1 42 42 ILE CG1 C 13 26.957 0.014 . 1 . . . A 571 ILE CG1 . 17519 1 466 . 1 1 42 42 ILE CG2 C 13 17.547 0 . 1 . . . A 571 ILE CG2 . 17519 1 467 . 1 1 42 42 ILE CD1 C 13 12.7 0.015 . 1 . . . A 571 ILE CD1 . 17519 1 468 . 1 1 42 42 ILE N N 15 119.363 0.033 . 1 . . . A 571 ILE N . 17519 1 469 . 1 1 43 43 SER H H 1 8.618 0.005 . 1 . . . A 572 SER H . 17519 1 470 . 1 1 43 43 SER HA H 1 4.352 0.007 . 1 . . . A 572 SER HA . 17519 1 471 . 1 1 43 43 SER HB2 H 1 3.898 0.001 . 2 . . . A 572 SER HB2 . 17519 1 472 . 1 1 43 43 SER C C 13 175.617 0 . 1 . . . A 572 SER C . 17519 1 473 . 1 1 43 43 SER CA C 13 60.125 0.054 . 1 . . . A 572 SER CA . 17519 1 474 . 1 1 43 43 SER CB C 13 63.063 0.082 . 1 . . . A 572 SER CB . 17519 1 475 . 1 1 43 43 SER N N 15 121.258 0.043 . 1 . . . A 572 SER N . 17519 1 476 . 1 1 44 44 GLY H H 1 8.691 0.004 . 1 . . . A 573 GLY H . 17519 1 477 . 1 1 44 44 GLY HA2 H 1 4.272 0.007 . 1 . . . A 573 GLY HA2 . 17519 1 478 . 1 1 44 44 GLY HA3 H 1 3.713 0.007 . 1 . . . A 573 GLY HA3 . 17519 1 479 . 1 1 44 44 GLY C C 13 173.828 0 . 1 . . . A 573 GLY C . 17519 1 480 . 1 1 44 44 GLY CA C 13 44.855 0.001 . 1 . . . A 573 GLY CA . 17519 1 481 . 1 1 44 44 GLY N N 15 111.836 0.03 . 1 . . . A 573 GLY N . 17519 1 482 . 1 1 45 45 TYR H H 1 7.854 0.001 . 1 . . . A 574 TYR H . 17519 1 483 . 1 1 45 45 TYR HA H 1 5.761 0.004 . 1 . . . A 574 TYR HA . 17519 1 484 . 1 1 45 45 TYR HB2 H 1 3.031 0.015 . 1 . . . A 574 TYR HB2 . 17519 1 485 . 1 1 45 45 TYR HB3 H 1 3.01 0.031 . 1 . . . A 574 TYR HB3 . 17519 1 486 . 1 1 45 45 TYR HD1 H 1 6.891 0.003 . 2 . . . A 574 TYR HD1 . 17519 1 487 . 1 1 45 45 TYR HE1 H 1 6.604 0.002 . 2 . . . A 574 TYR HE1 . 17519 1 488 . 1 1 45 45 TYR C C 13 175.52 0 . 1 . . . A 574 TYR C . 17519 1 489 . 1 1 45 45 TYR CA C 13 56.519 0.036 . 1 . . . A 574 TYR CA . 17519 1 490 . 1 1 45 45 TYR CB C 13 41.917 0.012 . 1 . . . A 574 TYR CB . 17519 1 491 . 1 1 45 45 TYR CD1 C 13 133.15 0.011 . 3 . . . A 574 TYR CD1 . 17519 1 492 . 1 1 45 45 TYR CE1 C 13 118.005 0 . 3 . . . A 574 TYR CE1 . 17519 1 493 . 1 1 45 45 TYR N N 15 116.297 0.045 . 1 . . . A 574 TYR N . 17519 1 494 . 1 1 46 46 ALA HA H 1 5.407 0.007 . 1 . . . A 575 ALA HA . 17519 1 495 . 1 1 46 46 ALA HB1 H 1 1.501 0.006 . 1 . . . A 575 ALA HB1 . 17519 1 496 . 1 1 46 46 ALA HB2 H 1 1.501 0.006 . 1 . . . A 575 ALA HB2 . 17519 1 497 . 1 1 46 46 ALA HB3 H 1 1.501 0.006 . 1 . . . A 575 ALA HB3 . 17519 1 498 . 1 1 46 46 ALA C C 13 176.096 0 . 1 . . . A 575 ALA C . 17519 1 499 . 1 1 46 46 ALA CA C 13 50.372 0.015 . 1 . . . A 575 ALA CA . 17519 1 500 . 1 1 46 46 ALA CB C 13 24.366 0.016 . 1 . . . A 575 ALA CB . 17519 1 501 . 1 1 46 46 ALA N N 15 126.117 0.034 . 1 . . . A 575 ALA N . 17519 1 502 . 1 1 47 47 LYS HA H 1 5.71 0.003 . 1 . . . A 576 LYS HA . 17519 1 503 . 1 1 47 47 LYS HB2 H 1 1.165 0.01 . 1 . . . A 576 LYS HB2 . 17519 1 504 . 1 1 47 47 LYS HB3 H 1 1.072 0.009 . 1 . . . A 576 LYS HB3 . 17519 1 505 . 1 1 47 47 LYS HG2 H 1 0.85 0.006 . 1 . . . A 576 LYS HG2 . 17519 1 506 . 1 1 47 47 LYS HG3 H 1 0.597 0.002 . 1 . . . A 576 LYS HG3 . 17519 1 507 . 1 1 47 47 LYS HD2 H 1 1.362 0.005 . 1 . . . A 576 LYS HD2 . 17519 1 508 . 1 1 47 47 LYS HD3 H 1 1.169 0.008 . 1 . . . A 576 LYS HD3 . 17519 1 509 . 1 1 47 47 LYS HE2 H 1 2.711 0.007 . 1 . . . A 576 LYS HE2 . 17519 1 510 . 1 1 47 47 LYS HE3 H 1 2.539 0.008 . 1 . . . A 576 LYS HE3 . 17519 1 511 . 1 1 47 47 LYS C C 13 173.794 0 . 1 . . . A 576 LYS C . 17519 1 512 . 1 1 47 47 LYS CA C 13 55.39 0.016 . 1 . . . A 576 LYS CA . 17519 1 513 . 1 1 47 47 LYS CB C 13 36.941 0.013 . 1 . . . A 576 LYS CB . 17519 1 514 . 1 1 47 47 LYS CG C 13 23.62 0.019 . 1 . . . A 576 LYS CG . 17519 1 515 . 1 1 47 47 LYS CD C 13 30.404 0.01 . 1 . . . A 576 LYS CD . 17519 1 516 . 1 1 47 47 LYS CE C 13 41.663 0 . 1 . . . A 576 LYS CE . 17519 1 517 . 1 1 48 48 ILE H H 1 8.041 0.001 . 1 . . . A 577 ILE H . 17519 1 518 . 1 1 48 48 ILE HA H 1 4.445 0.002 . 1 . . . A 577 ILE HA . 17519 1 519 . 1 1 48 48 ILE HB H 1 1.738 0.002 . 1 . . . A 577 ILE HB . 17519 1 520 . 1 1 48 48 ILE HG12 H 1 0.982 0.006 . 1 . . . A 577 ILE HG12 . 17519 1 521 . 1 1 48 48 ILE HG13 H 1 1.654 0.009 . 1 . . . A 577 ILE HG13 . 17519 1 522 . 1 1 48 48 ILE HG21 H 1 0.846 0.003 . 1 . . . A 577 ILE HG21 . 17519 1 523 . 1 1 48 48 ILE HG22 H 1 0.846 0.003 . 1 . . . A 577 ILE HG22 . 17519 1 524 . 1 1 48 48 ILE HG23 H 1 0.846 0.003 . 1 . . . A 577 ILE HG23 . 17519 1 525 . 1 1 48 48 ILE HD11 H 1 0.675 0.004 . 1 . . . A 577 ILE HD11 . 17519 1 526 . 1 1 48 48 ILE HD12 H 1 0.675 0.004 . 1 . . . A 577 ILE HD12 . 17519 1 527 . 1 1 48 48 ILE HD13 H 1 0.675 0.004 . 1 . . . A 577 ILE HD13 . 17519 1 528 . 1 1 48 48 ILE C C 13 171.242 0 . 1 . . . A 577 ILE C . 17519 1 529 . 1 1 48 48 ILE CA C 13 60.38 0.021 . 1 . . . A 577 ILE CA . 17519 1 530 . 1 1 48 48 ILE CB C 13 42.316 0.027 . 1 . . . A 577 ILE CB . 17519 1 531 . 1 1 48 48 ILE CG1 C 13 29.356 0.026 . 1 . . . A 577 ILE CG1 . 17519 1 532 . 1 1 48 48 ILE CG2 C 13 15.133 0.02 . 1 . . . A 577 ILE CG2 . 17519 1 533 . 1 1 48 48 ILE CD1 C 13 15.933 0.025 . 1 . . . A 577 ILE CD1 . 17519 1 534 . 1 1 48 48 ILE N N 15 120 0.028 . 1 . . . A 577 ILE N . 17519 1 535 . 1 1 49 49 THR H H 1 8.043 0.005 . 1 . . . A 578 THR H . 17519 1 536 . 1 1 49 49 THR HA H 1 5.344 0.003 . 1 . . . A 578 THR HA . 17519 1 537 . 1 1 49 49 THR HB H 1 3.673 0.001 . 1 . . . A 578 THR HB . 17519 1 538 . 1 1 49 49 THR HG21 H 1 0.971 0.002 . 1 . . . A 578 THR HG21 . 17519 1 539 . 1 1 49 49 THR HG22 H 1 0.971 0.002 . 1 . . . A 578 THR HG22 . 17519 1 540 . 1 1 49 49 THR HG23 H 1 0.971 0.002 . 1 . . . A 578 THR HG23 . 17519 1 541 . 1 1 49 49 THR C C 13 173.601 0 . 1 . . . A 578 THR C . 17519 1 542 . 1 1 49 49 THR CA C 13 61.849 0.07 . 1 . . . A 578 THR CA . 17519 1 543 . 1 1 49 49 THR CB C 13 70.593 0.053 . 1 . . . A 578 THR CB . 17519 1 544 . 1 1 49 49 THR CG2 C 13 21.425 0.007 . 1 . . . A 578 THR CG2 . 17519 1 545 . 1 1 49 49 THR N N 15 122.357 0.03 . 1 . . . A 578 THR N . 17519 1 546 . 1 1 50 50 VAL H H 1 9.349 0.002 . 1 . . . A 579 VAL H . 17519 1 547 . 1 1 50 50 VAL HA H 1 4.14 0.001 . 1 . . . A 579 VAL HA . 17519 1 548 . 1 1 50 50 VAL HB H 1 1.462 0.005 . 1 . . . A 579 VAL HB . 17519 1 549 . 1 1 50 50 VAL HG11 H 1 0.439 0.008 . . . . . A 579 VAL HG11 . 17519 1 550 . 1 1 50 50 VAL HG12 H 1 0.439 0.008 . . . . . A 579 VAL HG12 . 17519 1 551 . 1 1 50 50 VAL HG13 H 1 0.439 0.008 . . . . . A 579 VAL HG13 . 17519 1 552 . 1 1 50 50 VAL HG21 H 1 0.166 0.001 . . . . . A 579 VAL HG21 . 17519 1 553 . 1 1 50 50 VAL HG22 H 1 0.166 0.001 . . . . . A 579 VAL HG22 . 17519 1 554 . 1 1 50 50 VAL HG23 H 1 0.166 0.001 . . . . . A 579 VAL HG23 . 17519 1 555 . 1 1 50 50 VAL C C 13 174.015 0 . 1 . . . A 579 VAL C . 17519 1 556 . 1 1 50 50 VAL CA C 13 60.252 0.024 . 1 . . . A 579 VAL CA . 17519 1 557 . 1 1 50 50 VAL CB C 13 35.153 0.035 . 1 . . . A 579 VAL CB . 17519 1 558 . 1 1 50 50 VAL CG1 C 13 21.332 0.013 . . . . . A 579 VAL CG1 . 17519 1 559 . 1 1 50 50 VAL CG2 C 13 19.907 0.013 . . . . . A 579 VAL CG2 . 17519 1 560 . 1 1 50 50 VAL N N 15 126.489 0.022 . 1 . . . A 579 VAL N . 17519 1 561 . 1 1 51 51 ASP H H 1 8.616 0.005 . 1 . . . A 580 ASP H . 17519 1 562 . 1 1 51 51 ASP HA H 1 4.867 0.005 . 1 . . . A 580 ASP HA . 17519 1 563 . 1 1 51 51 ASP HB2 H 1 2.912 0.007 . . . . . A 580 ASP HB2 . 17519 1 564 . 1 1 51 51 ASP HB3 H 1 2.32 0.002 . . . . . A 580 ASP HB3 . 17519 1 565 . 1 1 51 51 ASP C C 13 176.752 0 . 1 . . . A 580 ASP C . 17519 1 566 . 1 1 51 51 ASP CA C 13 53.526 0.078 . 1 . . . A 580 ASP CA . 17519 1 567 . 1 1 51 51 ASP CB C 13 41.816 0.027 . 1 . . . A 580 ASP CB . 17519 1 568 . 1 1 51 51 ASP N N 15 126.891 0.05 . 1 . . . A 580 ASP N . 17519 1 569 . 1 1 52 52 ILE H H 1 8.627 0.002 . 1 . . . A 581 ILE H . 17519 1 570 . 1 1 52 52 ILE HA H 1 4.588 0.002 . 1 . . . A 581 ILE HA . 17519 1 571 . 1 1 52 52 ILE HB H 1 2.126 0.005 . 1 . . . A 581 ILE HB . 17519 1 572 . 1 1 52 52 ILE HG13 H 1 1.209 0.003 . 2 . . . A 581 ILE HG13 . 17519 1 573 . 1 1 52 52 ILE HG21 H 1 0.658 0.002 . 1 . . . A 581 ILE HG21 . 17519 1 574 . 1 1 52 52 ILE HG22 H 1 0.658 0.002 . 1 . . . A 581 ILE HG22 . 17519 1 575 . 1 1 52 52 ILE HG23 H 1 0.658 0.002 . 1 . . . A 581 ILE HG23 . 17519 1 576 . 1 1 52 52 ILE HD11 H 1 0.304 0.002 . 1 . . . A 581 ILE HD11 . 17519 1 577 . 1 1 52 52 ILE HD12 H 1 0.304 0.002 . 1 . . . A 581 ILE HD12 . 17519 1 578 . 1 1 52 52 ILE HD13 H 1 0.304 0.002 . 1 . . . A 581 ILE HD13 . 17519 1 579 . 1 1 52 52 ILE C C 13 176.717 0 . 1 . . . A 581 ILE C . 17519 1 580 . 1 1 52 52 ILE CA C 13 60.101 0.028 . 1 . . . A 581 ILE CA . 17519 1 581 . 1 1 52 52 ILE CB C 13 38.055 0.026 . 1 . . . A 581 ILE CB . 17519 1 582 . 1 1 52 52 ILE CG1 C 13 25.66 0.002 . 1 . . . A 581 ILE CG1 . 17519 1 583 . 1 1 52 52 ILE CG2 C 13 19.485 0.009 . 1 . . . A 581 ILE CG2 . 17519 1 584 . 1 1 52 52 ILE CD1 C 13 14.741 0 . 1 . . . A 581 ILE CD1 . 17519 1 585 . 1 1 52 52 ILE N N 15 118.893 0.022 . 1 . . . A 581 ILE N . 17519 1 586 . 1 1 53 53 GLY H H 1 9.075 0.002 . 1 . . . A 582 GLY H . 17519 1 587 . 1 1 53 53 GLY HA2 H 1 3.985 0.007 . . . . . A 582 GLY HA2 . 17519 1 588 . 1 1 53 53 GLY HA3 H 1 3.712 0.009 . . . . . A 582 GLY HA3 . 17519 1 589 . 1 1 53 53 GLY C C 13 174.442 0 . 1 . . . A 582 GLY C . 17519 1 590 . 1 1 53 53 GLY CA C 13 47.605 0.059 . 1 . . . A 582 GLY CA . 17519 1 591 . 1 1 53 53 GLY N N 15 114.728 0.017 . 1 . . . A 582 GLY N . 17519 1 592 . 1 1 54 54 SER H H 1 8.812 0.003 . 1 . . . A 583 SER H . 17519 1 593 . 1 1 54 54 SER HA H 1 4.549 0.013 . 1 . . . A 583 SER HA . 17519 1 594 . 1 1 54 54 SER HB2 H 1 4.014 0.002 . . . . . A 583 SER HB2 . 17519 1 595 . 1 1 54 54 SER HB3 H 1 3.879 0.007 . . . . . A 583 SER HB3 . 17519 1 596 . 1 1 54 54 SER C C 13 175.149 0 . 1 . . . A 583 SER C . 17519 1 597 . 1 1 54 54 SER CA C 13 58.133 0.067 . 1 . . . A 583 SER CA . 17519 1 598 . 1 1 54 54 SER CB C 13 63.647 0.06 . 1 . . . A 583 SER CB . 17519 1 599 . 1 1 54 54 SER N N 15 120.404 0.029 . 1 . . . A 583 SER N . 17519 1 600 . 1 1 55 55 ALA H H 1 7.82 0.001 . 1 . . . A 584 ALA H . 17519 1 601 . 1 1 55 55 ALA HA H 1 4.417 0.005 . 1 . . . A 584 ALA HA . 17519 1 602 . 1 1 55 55 ALA HB1 H 1 1.723 0.003 . 1 . . . A 584 ALA HB1 . 17519 1 603 . 1 1 55 55 ALA HB2 H 1 1.723 0.003 . 1 . . . A 584 ALA HB2 . 17519 1 604 . 1 1 55 55 ALA HB3 H 1 1.723 0.003 . 1 . . . A 584 ALA HB3 . 17519 1 605 . 1 1 55 55 ALA C C 13 175.867 0 . 1 . . . A 584 ALA C . 17519 1 606 . 1 1 55 55 ALA CA C 13 52.367 0.026 . 1 . . . A 584 ALA CA . 17519 1 607 . 1 1 55 55 ALA CB C 13 20.064 0.033 . 1 . . . A 584 ALA CB . 17519 1 608 . 1 1 55 55 ALA N N 15 125.527 0.03 . 1 . . . A 584 ALA N . 17519 1 609 . 1 1 56 56 SER H H 1 8.785 0.006 . 1 . . . A 585 SER H . 17519 1 610 . 1 1 56 56 SER HA H 1 4.564 0.007 . 1 . . . A 585 SER HA . 17519 1 611 . 1 1 56 56 SER HB2 H 1 3.831 0.025 . 2 . . . A 585 SER HB2 . 17519 1 612 . 1 1 56 56 SER C C 13 173.978 0 . 1 . . . A 585 SER C . 17519 1 613 . 1 1 56 56 SER CA C 13 58.22 0.054 . 1 . . . A 585 SER CA . 17519 1 614 . 1 1 56 56 SER CB C 13 64.962 0.043 . 1 . . . A 585 SER CB . 17519 1 615 . 1 1 56 56 SER N N 15 109.786 0.021 . 1 . . . A 585 SER N . 17519 1 616 . 1 1 57 57 GLN H H 1 7.144 0.002 . 1 . . . A 586 GLN H . 17519 1 617 . 1 1 57 57 GLN HA H 1 5.148 0.006 . 1 . . . A 586 GLN HA . 17519 1 618 . 1 1 57 57 GLN HB2 H 1 1.869 0.008 . 1 . . . A 586 GLN HB2 . 17519 1 619 . 1 1 57 57 GLN HB3 H 1 1.804 0.009 . 1 . . . A 586 GLN HB3 . 17519 1 620 . 1 1 57 57 GLN HG2 H 1 2.192 0.003 . 2 . . . A 586 GLN HG2 . 17519 1 621 . 1 1 57 57 GLN HE21 H 1 7.34 0 . 1 . . . A 586 GLN HE21 . 17519 1 622 . 1 1 57 57 GLN HE22 H 1 6.756 0 . 1 . . . A 586 GLN HE22 . 17519 1 623 . 1 1 57 57 GLN C C 13 172.923 0 . 1 . . . A 586 GLN C . 17519 1 624 . 1 1 57 57 GLN CA C 13 53.996 0.057 . 1 . . . A 586 GLN CA . 17519 1 625 . 1 1 57 57 GLN CB C 13 34.54 0.02 . 1 . . . A 586 GLN CB . 17519 1 626 . 1 1 57 57 GLN CG C 13 34.716 0.021 . 1 . . . A 586 GLN CG . 17519 1 627 . 1 1 57 57 GLN N N 15 116.69 0.037 . 1 . . . A 586 GLN N . 17519 1 628 . 1 1 57 57 GLN NE2 N 15 112.147 0.001 . 1 . . . A 586 GLN NE2 . 17519 1 629 . 1 1 58 58 LEU H H 1 9.226 0.003 . 1 . . . A 587 LEU H . 17519 1 630 . 1 1 58 58 LEU HA H 1 4.668 0.006 . 1 . . . A 587 LEU HA . 17519 1 631 . 1 1 58 58 LEU HB2 H 1 1.85 0.009 . . . . . A 587 LEU HB2 . 17519 1 632 . 1 1 58 58 LEU HB3 H 1 1.207 0.014 . . . . . A 587 LEU HB3 . 17519 1 633 . 1 1 58 58 LEU HG H 1 1.412 0.006 . 1 . . . A 587 LEU HG . 17519 1 634 . 1 1 58 58 LEU HD11 H 1 0.546 0.004 . . . . . A 587 LEU HD11 . 17519 1 635 . 1 1 58 58 LEU HD12 H 1 0.546 0.004 . . . . . A 587 LEU HD12 . 17519 1 636 . 1 1 58 58 LEU HD13 H 1 0.546 0.004 . . . . . A 587 LEU HD13 . 17519 1 637 . 1 1 58 58 LEU HD21 H 1 0.336 0.003 . . . . . A 587 LEU HD21 . 17519 1 638 . 1 1 58 58 LEU HD22 H 1 0.336 0.003 . . . . . A 587 LEU HD22 . 17519 1 639 . 1 1 58 58 LEU HD23 H 1 0.336 0.003 . . . . . A 587 LEU HD23 . 17519 1 640 . 1 1 58 58 LEU C C 13 173.426 0 . 1 . . . A 587 LEU C . 17519 1 641 . 1 1 58 58 LEU CA C 13 53.378 0.029 . 1 . . . A 587 LEU CA . 17519 1 642 . 1 1 58 58 LEU CB C 13 47.658 0.044 . 1 . . . A 587 LEU CB . 17519 1 643 . 1 1 58 58 LEU CG C 13 26.497 0.032 . 1 . . . A 587 LEU CG . 17519 1 644 . 1 1 58 58 LEU CD1 C 13 25.641 0.028 . 1 . . . A 587 LEU CD1 . 17519 1 645 . 1 1 58 58 LEU CD2 C 13 26.088 0.032 . 1 . . . A 587 LEU CD2 . 17519 1 646 . 1 1 58 58 LEU N N 15 123.011 0.043 . 1 . . . A 587 LEU N . 17519 1 647 . 1 1 59 59 GLU H H 1 8.83 0.002 . 1 . . . A 588 GLU H . 17519 1 648 . 1 1 59 59 GLU HA H 1 5.309 0.01 . 1 . . . A 588 GLU HA . 17519 1 649 . 1 1 59 59 GLU HB2 H 1 1.772 0.004 . 1 . . . A 588 GLU HB2 . 17519 1 650 . 1 1 59 59 GLU HB3 H 1 1.574 0.004 . 1 . . . A 588 GLU HB3 . 17519 1 651 . 1 1 59 59 GLU HG2 H 1 2.247 0.005 . 2 . . . A 588 GLU HG2 . 17519 1 652 . 1 1 59 59 GLU C C 13 175.409 0 . 1 . . . A 588 GLU C . 17519 1 653 . 1 1 59 59 GLU CA C 13 54.65 0.037 . 1 . . . A 588 GLU CA . 17519 1 654 . 1 1 59 59 GLU CB C 13 32.048 0.004 . 1 . . . A 588 GLU CB . 17519 1 655 . 1 1 59 59 GLU CG C 13 36.676 0.002 . 1 . . . A 588 GLU CG . 17519 1 656 . 1 1 59 59 GLU N N 15 129.185 0.03 . 1 . . . A 588 GLU N . 17519 1 657 . 1 1 60 60 ALA H H 1 9.748 0.001 . 1 . . . A 589 ALA H . 17519 1 658 . 1 1 60 60 ALA HA H 1 5.903 0.006 . 1 . . . A 589 ALA HA . 17519 1 659 . 1 1 60 60 ALA HB1 H 1 1.235 0.003 . 1 . . . A 589 ALA HB1 . 17519 1 660 . 1 1 60 60 ALA HB2 H 1 1.235 0.003 . 1 . . . A 589 ALA HB2 . 17519 1 661 . 1 1 60 60 ALA HB3 H 1 1.235 0.003 . 1 . . . A 589 ALA HB3 . 17519 1 662 . 1 1 60 60 ALA C C 13 174.861 0 . 1 . . . A 589 ALA C . 17519 1 663 . 1 1 60 60 ALA CA C 13 51.147 0.026 . 1 . . . A 589 ALA CA . 17519 1 664 . 1 1 60 60 ALA CB C 13 24.857 0.016 . 1 . . . A 589 ALA CB . 17519 1 665 . 1 1 60 60 ALA N N 15 126.011 0.027 . 1 . . . A 589 ALA N . 17519 1 666 . 1 1 61 61 ALA H H 1 9.392 0.007 . 1 . . . A 590 ALA H . 17519 1 667 . 1 1 61 61 ALA HA H 1 4.817 0.009 . 1 . . . A 590 ALA HA . 17519 1 668 . 1 1 61 61 ALA HB1 H 1 1.833 0.001 . 1 . . . A 590 ALA HB1 . 17519 1 669 . 1 1 61 61 ALA HB2 H 1 1.833 0.001 . 1 . . . A 590 ALA HB2 . 17519 1 670 . 1 1 61 61 ALA HB3 H 1 1.833 0.001 . 1 . . . A 590 ALA HB3 . 17519 1 671 . 1 1 61 61 ALA C C 13 174.731 0 . 1 . . . A 590 ALA C . 17519 1 672 . 1 1 61 61 ALA CA C 13 51.128 0.013 . 1 . . . A 590 ALA CA . 17519 1 673 . 1 1 61 61 ALA CB C 13 23.1 0.014 . 1 . . . A 590 ALA CB . 17519 1 674 . 1 1 61 61 ALA N N 15 120.783 0.036 . 1 . . . A 590 ALA N . 17519 1 675 . 1 1 62 62 PHE H H 1 8.394 0.003 . 1 . . . A 591 PHE H . 17519 1 676 . 1 1 62 62 PHE HA H 1 6.007 0.068 . 1 . . . A 591 PHE HA . 17519 1 677 . 1 1 62 62 PHE HB2 H 1 3.247 0.009 . 2 . . . A 591 PHE HB2 . 17519 1 678 . 1 1 62 62 PHE HD1 H 1 7.038 0.005 . 2 . . . A 591 PHE HD1 . 17519 1 679 . 1 1 62 62 PHE HE1 H 1 6.372 0.003 . 2 . . . A 591 PHE HE1 . 17519 1 680 . 1 1 62 62 PHE HZ H 1 6.745 0.003 . 1 . . . A 591 PHE HZ . 17519 1 681 . 1 1 62 62 PHE C C 13 175.059 0 . 1 . . . A 591 PHE C . 17519 1 682 . 1 1 62 62 PHE CA C 13 56.456 0.048 . 1 . . . A 591 PHE CA . 17519 1 683 . 1 1 62 62 PHE CB C 13 43.323 0.038 . 1 . . . A 591 PHE CB . 17519 1 684 . 1 1 62 62 PHE CD1 C 13 132.39 0.008 . 3 . . . A 591 PHE CD1 . 17519 1 685 . 1 1 62 62 PHE CE1 C 13 130.708 0.975 . 3 . . . A 591 PHE CE1 . 17519 1 686 . 1 1 62 62 PHE CZ C 13 127.156 0.034 . 1 . . . A 591 PHE CZ . 17519 1 687 . 1 1 62 62 PHE N N 15 116.572 0.036 . 1 . . . A 591 PHE N . 17519 1 688 . 1 1 63 63 ASN H H 1 9.117 0.002 . 1 . . . A 592 ASN H . 17519 1 689 . 1 1 63 63 ASN HA H 1 5.164 0.006 . 1 . . . A 592 ASN HA . 17519 1 690 . 1 1 63 63 ASN HB2 H 1 1.128 0.011 . 2 . . . A 592 ASN HB2 . 17519 1 691 . 1 1 63 63 ASN HD21 H 1 7.97 0 . 1 . . . A 592 ASN HD21 . 17519 1 692 . 1 1 63 63 ASN HD22 H 1 3.967 0 . 1 . . . A 592 ASN HD22 . 17519 1 693 . 1 1 63 63 ASN C C 13 172.073 0 . 1 . . . A 592 ASN C . 17519 1 694 . 1 1 63 63 ASN CA C 13 53.727 0.026 . 1 . . . A 592 ASN CA . 17519 1 695 . 1 1 63 63 ASN CB C 13 41.232 0.007 . 1 . . . A 592 ASN CB . 17519 1 696 . 1 1 63 63 ASN N N 15 116.166 0.037 . 1 . . . A 592 ASN N . 17519 1 697 . 1 1 63 63 ASN ND2 N 15 115.998 0.004 . 1 . . . A 592 ASN ND2 . 17519 1 698 . 1 1 64 64 ASP H H 1 7.558 0.005 . 1 . . . A 593 ASP H . 17519 1 699 . 1 1 64 64 ASP HA H 1 4.219 0.006 . 1 . . . A 593 ASP HA . 17519 1 700 . 1 1 64 64 ASP HB2 H 1 2.854 0.003 . 1 . . . A 593 ASP HB2 . 17519 1 701 . 1 1 64 64 ASP HB3 H 1 1.118 0.008 . 1 . . . A 593 ASP HB3 . 17519 1 702 . 1 1 64 64 ASP C C 13 177.248 0 . 1 . . . A 593 ASP C . 17519 1 703 . 1 1 64 64 ASP CA C 13 52.251 0.048 . 1 . . . A 593 ASP CA . 17519 1 704 . 1 1 64 64 ASP CB C 13 40.722 0.027 . 1 . . . A 593 ASP CB . 17519 1 705 . 1 1 64 64 ASP N N 15 118.039 0.042 . 1 . . . A 593 ASP N . 17519 1 706 . 1 1 65 65 GLY H H 1 8.742 0.003 . 1 . . . A 594 GLY H . 17519 1 707 . 1 1 65 65 GLY HA2 H 1 3.602 0.002 . 1 . . . A 594 GLY HA2 . 17519 1 708 . 1 1 65 65 GLY HA3 H 1 2.459 0.003 . 1 . . . A 594 GLY HA3 . 17519 1 709 . 1 1 65 65 GLY C C 13 173.126 0 . 1 . . . A 594 GLY C . 17519 1 710 . 1 1 65 65 GLY CA C 13 45.529 0.036 . 1 . . . A 594 GLY CA . 17519 1 711 . 1 1 65 65 GLY N N 15 110.622 0.043 . 1 . . . A 594 GLY N . 17519 1 712 . 1 1 66 66 ASN H H 1 8.424 0.004 . 1 . . . A 595 ASN H . 17519 1 713 . 1 1 66 66 ASN HA H 1 4.757 0.008 . 1 . . . A 595 ASN HA . 17519 1 714 . 1 1 66 66 ASN HB2 H 1 2.756 0.003 . 1 . . . A 595 ASN HB2 . 17519 1 715 . 1 1 66 66 ASN HB3 H 1 2.3 0.002 . 1 . . . A 595 ASN HB3 . 17519 1 716 . 1 1 66 66 ASN HD21 H 1 7.236 0 . 1 . . . A 595 ASN HD21 . 17519 1 717 . 1 1 66 66 ASN HD22 H 1 6.724 0 . 1 . . . A 595 ASN HD22 . 17519 1 718 . 1 1 66 66 ASN C C 13 174.434 0 . 1 . . . A 595 ASN C . 17519 1 719 . 1 1 66 66 ASN CA C 13 52.167 0.051 . 1 . . . A 595 ASN CA . 17519 1 720 . 1 1 66 66 ASN CB C 13 39.388 0.033 . 1 . . . A 595 ASN CB . 17519 1 721 . 1 1 66 66 ASN N N 15 120.863 0.029 . 1 . . . A 595 ASN N . 17519 1 722 . 1 1 66 66 ASN ND2 N 15 112.752 0.001 . 1 . . . A 595 ASN ND2 . 17519 1 723 . 1 1 67 67 ASN H H 1 8.744 0.006 . 1 . . . A 596 ASN H . 17519 1 724 . 1 1 67 67 ASN HA H 1 4.23 0.006 . 1 . . . A 596 ASN HA . 17519 1 725 . 1 1 67 67 ASN HB2 H 1 3.148 0.003 . . . . . A 596 ASN HB2 . 17519 1 726 . 1 1 67 67 ASN HB3 H 1 2.751 0.006 . . . . . A 596 ASN HB3 . 17519 1 727 . 1 1 67 67 ASN HD21 H 1 6.883 0 . . . . . A 596 ASN HD21 . 17519 1 728 . 1 1 67 67 ASN C C 13 173.796 0 . 1 . . . A 596 ASN C . 17519 1 729 . 1 1 67 67 ASN CA C 13 54.425 0.04 . 1 . . . A 596 ASN CA . 17519 1 730 . 1 1 67 67 ASN CB C 13 38.153 0.028 . 1 . . . A 596 ASN CB . 17519 1 731 . 1 1 67 67 ASN N N 15 113.308 0.088 . 1 . . . A 596 ASN N . 17519 1 732 . 1 1 67 67 ASN ND2 N 15 113.856 0 . 1 . . . A 596 ASN ND2 . 17519 1 733 . 1 1 68 68 ASN H H 1 8.032 0.003 . 1 . . . A 597 ASN H . 17519 1 734 . 1 1 68 68 ASN HA H 1 5.118 0.009 . 1 . . . A 597 ASN HA . 17519 1 735 . 1 1 68 68 ASN HB2 H 1 2.53 0.009 . 1 . . . A 597 ASN HB2 . 17519 1 736 . 1 1 68 68 ASN HB3 H 1 2.442 0.007 . 1 . . . A 597 ASN HB3 . 17519 1 737 . 1 1 68 68 ASN HD21 H 1 8.765 0 . 1 . . . A 597 ASN HD21 . 17519 1 738 . 1 1 68 68 ASN HD22 H 1 6.866 0 . 1 . . . A 597 ASN HD22 . 17519 1 739 . 1 1 68 68 ASN C C 13 173.474 0 . 1 . . . A 597 ASN C . 17519 1 740 . 1 1 68 68 ASN CA C 13 53.138 0.065 . 1 . . . A 597 ASN CA . 17519 1 741 . 1 1 68 68 ASN CB C 13 38.622 0.006 . 1 . . . A 597 ASN CB . 17519 1 742 . 1 1 68 68 ASN N N 15 118.418 0.039 . 1 . . . A 597 ASN N . 17519 1 743 . 1 1 68 68 ASN ND2 N 15 117.959 0.001 . 1 . . . A 597 ASN ND2 . 17519 1 744 . 1 1 69 69 TRP H H 1 8.842 0.014 . 1 . . . A 598 TRP H . 17519 1 745 . 1 1 69 69 TRP HA H 1 4.856 0.007 . 1 . . . A 598 TRP HA . 17519 1 746 . 1 1 69 69 TRP HB2 H 1 3.153 0.023 . 2 . . . A 598 TRP HB2 . 17519 1 747 . 1 1 69 69 TRP HD1 H 1 7.093 0.003 . 1 . . . A 598 TRP HD1 . 17519 1 748 . 1 1 69 69 TRP HE1 H 1 10.121 0 . 1 . . . A 598 TRP HE1 . 17519 1 749 . 1 1 69 69 TRP HE3 H 1 7.428 0.004 . 1 . . . A 598 TRP HE3 . 17519 1 750 . 1 1 69 69 TRP HZ2 H 1 7.109 0.001 . 1 . . . A 598 TRP HZ2 . 17519 1 751 . 1 1 69 69 TRP HZ3 H 1 6.806 0.002 . 1 . . . A 598 TRP HZ3 . 17519 1 752 . 1 1 69 69 TRP HH2 H 1 6.025 0.008 . 1 . . . A 598 TRP HH2 . 17519 1 753 . 1 1 69 69 TRP C C 13 176.22 0 . 1 . . . A 598 TRP C . 17519 1 754 . 1 1 69 69 TRP CA C 13 57.233 0.013 . 1 . . . A 598 TRP CA . 17519 1 755 . 1 1 69 69 TRP CB C 13 32.219 0.033 . 1 . . . A 598 TRP CB . 17519 1 756 . 1 1 69 69 TRP CD1 C 13 127.223 0.026 . 1 . . . A 598 TRP CD1 . 17519 1 757 . 1 1 69 69 TRP CE2 C 13 120.445 0 . 1 . . . A 598 TRP CE2 . 17519 1 758 . 1 1 69 69 TRP CZ2 C 13 114.781 0 . 1 . . . A 598 TRP CZ2 . 17519 1 759 . 1 1 69 69 TRP CZ3 C 13 119.737 0 . 1 . . . A 598 TRP CZ3 . 17519 1 760 . 1 1 69 69 TRP CH2 C 13 123.275 0.03 . 1 . . . A 598 TRP CH2 . 17519 1 761 . 1 1 69 69 TRP N N 15 120.99 0.043 . 1 . . . A 598 TRP N . 17519 1 762 . 1 1 69 69 TRP NE1 N 15 131.277 0 . 1 . . . A 598 TRP NE1 . 17519 1 763 . 1 1 70 70 ASP H H 1 9.831 0.002 . 1 . . . A 599 ASP H . 17519 1 764 . 1 1 70 70 ASP HA H 1 5.247 0.008 . 1 . . . A 599 ASP HA . 17519 1 765 . 1 1 70 70 ASP HB2 H 1 3.413 0.008 . 1 . . . A 599 ASP HB2 . 17519 1 766 . 1 1 70 70 ASP HB3 H 1 3.168 0.073 . 1 . . . A 599 ASP HB3 . 17519 1 767 . 1 1 70 70 ASP CA C 13 53.246 0.034 . 1 . . . A 599 ASP CA . 17519 1 768 . 1 1 70 70 ASP CB C 13 41.898 0.029 . 1 . . . A 599 ASP CB . 17519 1 769 . 1 1 70 70 ASP N N 15 122.21 0.071 . 1 . . . A 599 ASP N . 17519 1 770 . 1 1 71 71 SER H H 1 9.328 0.018 . 1 . . . A 600 SER H . 17519 1 771 . 1 1 71 71 SER HA H 1 5.141 0.019 . 1 . . . A 600 SER HA . 17519 1 772 . 1 1 71 71 SER CA C 13 55.907 0.006 . 1 . . . A 600 SER CA . 17519 1 773 . 1 1 71 71 SER N N 15 117.252 0.022 . 1 . . . A 600 SER N . 17519 1 774 . 1 1 72 72 ASN H H 1 8.715 0.016 . 1 . . . A 601 ASN H . 17519 1 775 . 1 1 72 72 ASN HA H 1 4.429 0.004 . 1 . . . A 601 ASN HA . 17519 1 776 . 1 1 72 72 ASN HB2 H 1 2.892 0.004 . 2 . . . A 601 ASN HB2 . 17519 1 777 . 1 1 72 72 ASN HD21 H 1 7.168 0 . 1 . . . A 601 ASN HD21 . 17519 1 778 . 1 1 72 72 ASN HD22 H 1 6.711 0 . 1 . . . A 601 ASN HD22 . 17519 1 779 . 1 1 72 72 ASN C C 13 176.895 0 . 1 . . . A 601 ASN C . 17519 1 780 . 1 1 72 72 ASN CA C 13 53.093 0.008 . 1 . . . A 601 ASN CA . 17519 1 781 . 1 1 72 72 ASN CB C 13 39.15 0 . 1 . . . A 601 ASN CB . 17519 1 782 . 1 1 72 72 ASN N N 15 123.197 0.011 . 1 . . . A 601 ASN N . 17519 1 783 . 1 1 72 72 ASN ND2 N 15 107.62 0.001 . 1 . . . A 601 ASN ND2 . 17519 1 784 . 1 1 73 73 ASN H H 1 9.184 0.01 . 1 . . . A 602 ASN H . 17519 1 785 . 1 1 73 73 ASN HA H 1 4.444 0.007 . 1 . . . A 602 ASN HA . 17519 1 786 . 1 1 73 73 ASN HB2 H 1 3.033 0.007 . 1 . . . A 602 ASN HB2 . 17519 1 787 . 1 1 73 73 ASN HB3 H 1 2.789 0.008 . 1 . . . A 602 ASN HB3 . 17519 1 788 . 1 1 73 73 ASN C C 13 176.304 0 . 1 . . . A 602 ASN C . 17519 1 789 . 1 1 73 73 ASN CA C 13 54.465 0.092 . 1 . . . A 602 ASN CA . 17519 1 790 . 1 1 73 73 ASN CB C 13 37.277 0.051 . 1 . . . A 602 ASN CB . 17519 1 791 . 1 1 73 73 ASN N N 15 116.099 0.05 . 1 . . . A 602 ASN N . 17519 1 792 . 1 1 74 74 THR H H 1 7.829 0.004 . 1 . . . A 603 THR H . 17519 1 793 . 1 1 74 74 THR HA H 1 3.835 0.008 . 1 . . . A 603 THR HA . 17519 1 794 . 1 1 74 74 THR HB H 1 4.377 0.005 . 1 . . . A 603 THR HB . 17519 1 795 . 1 1 74 74 THR HG21 H 1 1.058 0.002 . 1 . . . A 603 THR HG21 . 17519 1 796 . 1 1 74 74 THR HG22 H 1 1.058 0.002 . 1 . . . A 603 THR HG22 . 17519 1 797 . 1 1 74 74 THR HG23 H 1 1.058 0.002 . 1 . . . A 603 THR HG23 . 17519 1 798 . 1 1 74 74 THR C C 13 173.186 0 . 1 . . . A 603 THR C . 17519 1 799 . 1 1 74 74 THR CA C 13 65.006 0.097 . 1 . . . A 603 THR CA . 17519 1 800 . 1 1 74 74 THR CB C 13 69.653 0.049 . 1 . . . A 603 THR CB . 17519 1 801 . 1 1 74 74 THR CG2 C 13 21.686 0.008 . 1 . . . A 603 THR CG2 . 17519 1 802 . 1 1 74 74 THR N N 15 110.445 0.043 . 1 . . . A 603 THR N . 17519 1 803 . 1 1 75 75 LYS H H 1 7.714 0.003 . 1 . . . A 604 LYS H . 17519 1 804 . 1 1 75 75 LYS HA H 1 4.137 0.003 . 1 . . . A 604 LYS HA . 17519 1 805 . 1 1 75 75 LYS HB2 H 1 2.016 0.007 . 1 . . . A 604 LYS HB2 . 17519 1 806 . 1 1 75 75 LYS HB3 H 1 1.95 0.008 . 1 . . . A 604 LYS HB3 . 17519 1 807 . 1 1 75 75 LYS HG2 H 1 1.541 0.001 . 1 . . . A 604 LYS HG2 . 17519 1 808 . 1 1 75 75 LYS HG3 H 1 1.482 0.002 . 1 . . . A 604 LYS HG3 . 17519 1 809 . 1 1 75 75 LYS HD2 H 1 2.031 0.001 . 1 . . . A 604 LYS HD2 . 17519 1 810 . 1 1 75 75 LYS HD3 H 1 1.953 0.004 . 1 . . . A 604 LYS HD3 . 17519 1 811 . 1 1 75 75 LYS HE2 H 1 3.044 0.007 . 1 . . . A 604 LYS HE2 . 17519 1 812 . 1 1 75 75 LYS HE3 H 1 2.981 0.005 . 1 . . . A 604 LYS HE3 . 17519 1 813 . 1 1 75 75 LYS C C 13 177.262 0 . 1 . . . A 604 LYS C . 17519 1 814 . 1 1 75 75 LYS CA C 13 57.767 0.039 . 1 . . . A 604 LYS CA . 17519 1 815 . 1 1 75 75 LYS CB C 13 32.376 0.009 . 1 . . . A 604 LYS CB . 17519 1 816 . 1 1 75 75 LYS CG C 13 25.319 0.002 . 1 . . . A 604 LYS CG . 17519 1 817 . 1 1 75 75 LYS CD C 13 28.533 0.017 . 1 . . . A 604 LYS CD . 17519 1 818 . 1 1 75 75 LYS CE C 13 41.908 0 . 1 . . . A 604 LYS CE . 17519 1 819 . 1 1 75 75 LYS N N 15 121.909 0.037 . 1 . . . A 604 LYS N . 17519 1 820 . 1 1 76 76 ASN H H 1 8.274 0.004 . 1 . . . A 605 ASN H . 17519 1 821 . 1 1 76 76 ASN HA H 1 3.94 0.002 . 1 . . . A 605 ASN HA . 17519 1 822 . 1 1 76 76 ASN HB2 H 1 3.673 0.003 . 1 . . . A 605 ASN HB2 . 17519 1 823 . 1 1 76 76 ASN HB3 H 1 2.892 0.011 . 1 . . . A 605 ASN HB3 . 17519 1 824 . 1 1 76 76 ASN HD21 H 1 7.618 0 . 1 . . . A 605 ASN HD21 . 17519 1 825 . 1 1 76 76 ASN HD22 H 1 7.01 0 . 1 . . . A 605 ASN HD22 . 17519 1 826 . 1 1 76 76 ASN C C 13 171.742 0 . 1 . . . A 605 ASN C . 17519 1 827 . 1 1 76 76 ASN CA C 13 54.159 0.05 . 1 . . . A 605 ASN CA . 17519 1 828 . 1 1 76 76 ASN CB C 13 39.027 0.034 . 1 . . . A 605 ASN CB . 17519 1 829 . 1 1 76 76 ASN N N 15 108.823 0.05 . 1 . . . A 605 ASN N . 17519 1 830 . 1 1 76 76 ASN ND2 N 15 113.175 0.005 . 1 . . . A 605 ASN ND2 . 17519 1 831 . 1 1 77 77 TYR H H 1 9.055 0.014 . 1 . . . A 606 TYR H . 17519 1 832 . 1 1 77 77 TYR HA H 1 4.827 0.01 . 1 . . . A 606 TYR HA . 17519 1 833 . 1 1 77 77 TYR HB2 H 1 2.696 0.016 . 2 . . . A 606 TYR HB2 . 17519 1 834 . 1 1 77 77 TYR HD1 H 1 7.244 0.003 . 2 . . . A 606 TYR HD1 . 17519 1 835 . 1 1 77 77 TYR HE1 H 1 6.957 0.002 . 2 . . . A 606 TYR HE1 . 17519 1 836 . 1 1 77 77 TYR C C 13 174.468 0 . 1 . . . A 606 TYR C . 17519 1 837 . 1 1 77 77 TYR CA C 13 57.569 0.017 . 1 . . . A 606 TYR CA . 17519 1 838 . 1 1 77 77 TYR CB C 13 41.555 0.012 . 1 . . . A 606 TYR CB . 17519 1 839 . 1 1 77 77 TYR CD1 C 13 132.338 0.026 . 3 . . . A 606 TYR CD1 . 17519 1 840 . 1 1 77 77 TYR CE1 C 13 118.777 0.014 . 3 . . . A 606 TYR CE1 . 17519 1 841 . 1 1 77 77 TYR N N 15 117.628 0.055 . 1 . . . A 606 TYR N . 17519 1 842 . 1 1 78 78 LEU H H 1 7.983 0.006 . 1 . . . A 607 LEU H . 17519 1 843 . 1 1 78 78 LEU HA H 1 5.303 0.003 . 1 . . . A 607 LEU HA . 17519 1 844 . 1 1 78 78 LEU HB2 H 1 1.566 0.006 . 1 . . . A 607 LEU HB2 . 17519 1 845 . 1 1 78 78 LEU HB3 H 1 1.264 0.004 . 1 . . . A 607 LEU HB3 . 17519 1 846 . 1 1 78 78 LEU HG H 1 1.559 0.003 . 1 . . . A 607 LEU HG . 17519 1 847 . 1 1 78 78 LEU HD11 H 1 0.835 0.002 . 1 . . . A 607 LEU HD11 . 17519 1 848 . 1 1 78 78 LEU HD12 H 1 0.835 0.002 . 1 . . . A 607 LEU HD12 . 17519 1 849 . 1 1 78 78 LEU HD13 H 1 0.835 0.002 . 1 . . . A 607 LEU HD13 . 17519 1 850 . 1 1 78 78 LEU HD21 H 1 0.767 0.002 . 1 . . . A 607 LEU HD21 . 17519 1 851 . 1 1 78 78 LEU HD22 H 1 0.767 0.002 . 1 . . . A 607 LEU HD22 . 17519 1 852 . 1 1 78 78 LEU HD23 H 1 0.767 0.002 . 1 . . . A 607 LEU HD23 . 17519 1 853 . 1 1 78 78 LEU C C 13 175.673 0 . 1 . . . A 607 LEU C . 17519 1 854 . 1 1 78 78 LEU CA C 13 53.244 0.043 . 1 . . . A 607 LEU CA . 17519 1 855 . 1 1 78 78 LEU CB C 13 43.971 0.016 . 1 . . . A 607 LEU CB . 17519 1 856 . 1 1 78 78 LEU CG C 13 26.872 0.019 . 1 . . . A 607 LEU CG . 17519 1 857 . 1 1 78 78 LEU CD1 C 13 24.9 0.009 . 1 . . . A 607 LEU CD1 . 17519 1 858 . 1 1 78 78 LEU CD2 C 13 23.611 0.017 . 1 . . . A 607 LEU CD2 . 17519 1 859 . 1 1 78 78 LEU N N 15 121.811 0.042 . 1 . . . A 607 LEU N . 17519 1 860 . 1 1 79 79 PHE H H 1 9.24 0.001 . 1 . . . A 608 PHE H . 17519 1 861 . 1 1 79 79 PHE HA H 1 4.827 0.008 . 1 . . . A 608 PHE HA . 17519 1 862 . 1 1 79 79 PHE HB2 H 1 3.138 0.015 . 1 . . . A 608 PHE HB2 . 17519 1 863 . 1 1 79 79 PHE HB3 H 1 2.699 0.006 . 1 . . . A 608 PHE HB3 . 17519 1 864 . 1 1 79 79 PHE HD1 H 1 7.246 0.001 . 2 . . . A 608 PHE HD1 . 17519 1 865 . 1 1 79 79 PHE HE1 H 1 7.184 0.006 . 2 . . . A 608 PHE HE1 . 17519 1 866 . 1 1 79 79 PHE HZ H 1 7.135 0.003 . 1 . . . A 608 PHE HZ . 17519 1 867 . 1 1 79 79 PHE C C 13 175.786 0 . 1 . . . A 608 PHE C . 17519 1 868 . 1 1 79 79 PHE CA C 13 56.851 0.012 . 1 . . . A 608 PHE CA . 17519 1 869 . 1 1 79 79 PHE CB C 13 42.563 0.048 . 1 . . . A 608 PHE CB . 17519 1 870 . 1 1 79 79 PHE CD1 C 13 132.351 0 . 3 . . . A 608 PHE CD1 . 17519 1 871 . 1 1 79 79 PHE CE1 C 13 130.735 0.01 . 3 . . . A 608 PHE CE1 . 17519 1 872 . 1 1 79 79 PHE CZ C 13 128.005 0 . 1 . . . A 608 PHE CZ . 17519 1 873 . 1 1 79 79 PHE N N 15 121.39 0.029 . 1 . . . A 608 PHE N . 17519 1 874 . 1 1 80 80 SER H H 1 8.948 0.004 . 1 . . . A 609 SER H . 17519 1 875 . 1 1 80 80 SER HA H 1 4.979 0.004 . 1 . . . A 609 SER HA . 17519 1 876 . 1 1 80 80 SER HB2 H 1 4.12 0.004 . . . . . A 609 SER HB2 . 17519 1 877 . 1 1 80 80 SER HB3 H 1 3.925 0.005 . . . . . A 609 SER HB3 . 17519 1 878 . 1 1 80 80 SER C C 13 173.269 0 . 1 . . . A 609 SER C . 17519 1 879 . 1 1 80 80 SER CA C 13 57.811 0.067 . 1 . . . A 609 SER CA . 17519 1 880 . 1 1 80 80 SER CB C 13 64.856 0.074 . 1 . . . A 609 SER CB . 17519 1 881 . 1 1 80 80 SER N N 15 117.589 0.025 . 1 . . . A 609 SER N . 17519 1 882 . 1 1 81 81 THR HA H 1 3.871 0.005 . 1 . . . A 610 THR HA . 17519 1 883 . 1 1 81 81 THR HB H 1 4.12 0.001 . 1 . . . A 610 THR HB . 17519 1 884 . 1 1 81 81 THR HG21 H 1 1.231 0.002 . 1 . . . A 610 THR HG21 . 17519 1 885 . 1 1 81 81 THR HG22 H 1 1.231 0.002 . 1 . . . A 610 THR HG22 . 17519 1 886 . 1 1 81 81 THR HG23 H 1 1.231 0.002 . 1 . . . A 610 THR HG23 . 17519 1 887 . 1 1 81 81 THR C C 13 174.439 0 . 1 . . . A 610 THR C . 17519 1 888 . 1 1 81 81 THR CA C 13 64.353 0.092 . 1 . . . A 610 THR CA . 17519 1 889 . 1 1 81 81 THR CB C 13 69.421 0.052 . 1 . . . A 610 THR CB . 17519 1 890 . 1 1 81 81 THR CG2 C 13 22.483 0.009 . 1 . . . A 610 THR CG2 . 17519 1 891 . 1 1 81 81 THR N N 15 112.845 0.022 . 1 . . . A 610 THR N . 17519 1 892 . 1 1 82 82 GLY H H 1 8.468 0.002 . 1 . . . A 611 GLY H . 17519 1 893 . 1 1 82 82 GLY HA2 H 1 4.669 0.006 . 1 . . . A 611 GLY HA2 . 17519 1 894 . 1 1 82 82 GLY HA3 H 1 3.867 0.01 . 1 . . . A 611 GLY HA3 . 17519 1 895 . 1 1 82 82 GLY C C 13 174.43 0 . 1 . . . A 611 GLY C . 17519 1 896 . 1 1 82 82 GLY CA C 13 43.866 0.063 . 1 . . . A 611 GLY CA . 17519 1 897 . 1 1 82 82 GLY N N 15 112.157 0.023 . 1 . . . A 611 GLY N . 17519 1 898 . 1 1 83 83 THR H H 1 8.736 0.006 . 1 . . . A 612 THR H . 17519 1 899 . 1 1 83 83 THR HA H 1 5.483 0.003 . 1 . . . A 612 THR HA . 17519 1 900 . 1 1 83 83 THR HB H 1 3.96 0.002 . 1 . . . A 612 THR HB . 17519 1 901 . 1 1 83 83 THR HG21 H 1 1.219 0.002 . 1 . . . A 612 THR HG21 . 17519 1 902 . 1 1 83 83 THR HG22 H 1 1.219 0.002 . 1 . . . A 612 THR HG22 . 17519 1 903 . 1 1 83 83 THR HG23 H 1 1.219 0.002 . 1 . . . A 612 THR HG23 . 17519 1 904 . 1 1 83 83 THR C C 13 174.819 0 . 1 . . . A 612 THR C . 17519 1 905 . 1 1 83 83 THR CA C 13 62.563 0.071 . 1 . . . A 612 THR CA . 17519 1 906 . 1 1 83 83 THR CB C 13 70.093 0.071 . 1 . . . A 612 THR CB . 17519 1 907 . 1 1 83 83 THR CG2 C 13 22.162 0.001 . 1 . . . A 612 THR CG2 . 17519 1 908 . 1 1 83 83 THR N N 15 120.992 0.055 . 1 . . . A 612 THR N . 17519 1 909 . 1 1 84 84 SER H H 1 9.051 0.002 . 1 . . . A 613 SER H . 17519 1 910 . 1 1 84 84 SER HA H 1 5.489 0.006 . 1 . . . A 613 SER HA . 17519 1 911 . 1 1 84 84 SER HB2 H 1 4.16 0.004 . . . . . A 613 SER HB2 . 17519 1 912 . 1 1 84 84 SER HB3 H 1 3.842 0.001 . . . . . A 613 SER HB3 . 17519 1 913 . 1 1 84 84 SER C C 13 172.064 0 . 1 . . . A 613 SER C . 17519 1 914 . 1 1 84 84 SER CA C 13 58.813 0.027 . 1 . . . A 613 SER CA . 17519 1 915 . 1 1 84 84 SER CB C 13 67.694 0.051 . 1 . . . A 613 SER CB . 17519 1 916 . 1 1 84 84 SER N N 15 122.602 0.057 . 1 . . . A 613 SER N . 17519 1 917 . 1 1 85 85 THR H H 1 9.523 0.002 . 1 . . . A 614 THR H . 17519 1 918 . 1 1 85 85 THR HA H 1 5.256 0.006 . 1 . . . A 614 THR HA . 17519 1 919 . 1 1 85 85 THR HB H 1 3.746 0.002 . 1 . . . A 614 THR HB . 17519 1 920 . 1 1 85 85 THR HG21 H 1 1.083 0.004 . 1 . . . A 614 THR HG21 . 17519 1 921 . 1 1 85 85 THR HG22 H 1 1.083 0.004 . 1 . . . A 614 THR HG22 . 17519 1 922 . 1 1 85 85 THR HG23 H 1 1.083 0.004 . 1 . . . A 614 THR HG23 . 17519 1 923 . 1 1 85 85 THR C C 13 173.632 0 . 1 . . . A 614 THR C . 17519 1 924 . 1 1 85 85 THR CA C 13 62.724 0.033 . 1 . . . A 614 THR CA . 17519 1 925 . 1 1 85 85 THR CB C 13 70.908 0.039 . 1 . . . A 614 THR CB . 17519 1 926 . 1 1 85 85 THR CG2 C 13 21.615 0.014 . 1 . . . A 614 THR CG2 . 17519 1 927 . 1 1 85 85 THR N N 15 117.759 0.06 . 1 . . . A 614 THR N . 17519 1 928 . 1 1 86 86 TYR H H 1 10.029 0.001 . 1 . . . A 615 TYR H . 17519 1 929 . 1 1 86 86 TYR HA H 1 5.213 0.006 . 1 . . . A 615 TYR HA . 17519 1 930 . 1 1 86 86 TYR HB2 H 1 2.922 0.019 . 1 . . . A 615 TYR HB2 . 17519 1 931 . 1 1 86 86 TYR HB3 H 1 2.855 0.009 . 1 . . . A 615 TYR HB3 . 17519 1 932 . 1 1 86 86 TYR HD2 H 1 6.551 0.001 . 2 . . . A 615 TYR HD2 . 17519 1 933 . 1 1 86 86 TYR HE2 H 1 5.831 0.003 . 2 . . . A 615 TYR HE2 . 17519 1 934 . 1 1 86 86 TYR C C 13 172.999 0 . 1 . . . A 615 TYR C . 17519 1 935 . 1 1 86 86 TYR CA C 13 57.163 0.016 . 1 . . . A 615 TYR CA . 17519 1 936 . 1 1 86 86 TYR CB C 13 41.569 0.025 . 1 . . . A 615 TYR CB . 17519 1 937 . 1 1 86 86 TYR CD2 C 13 132.472 0.03 . 3 . . . A 615 TYR CD2 . 17519 1 938 . 1 1 86 86 TYR CE2 C 13 118.135 0 . 3 . . . A 615 TYR CE2 . 17519 1 939 . 1 1 86 86 TYR N N 15 131.519 0.028 . 1 . . . A 615 TYR N . 17519 1 940 . 1 1 87 87 THR H H 1 8.027 0.002 . 1 . . . A 616 THR H . 17519 1 941 . 1 1 87 87 THR HA H 1 4.37 0.009 . 1 . . . A 616 THR HA . 17519 1 942 . 1 1 87 87 THR HB H 1 3.6 0.001 . 1 . . . A 616 THR HB . 17519 1 943 . 1 1 87 87 THR HG21 H 1 1.01 0.002 . 1 . . . A 616 THR HG21 . 17519 1 944 . 1 1 87 87 THR HG22 H 1 1.01 0.002 . 1 . . . A 616 THR HG22 . 17519 1 945 . 1 1 87 87 THR HG23 H 1 1.01 0.002 . 1 . . . A 616 THR HG23 . 17519 1 946 . 1 1 87 87 THR CA C 13 58.725 0.036 . 1 . . . A 616 THR CA . 17519 1 947 . 1 1 87 87 THR CB C 13 70.07 0.036 . 1 . . . A 616 THR CB . 17519 1 948 . 1 1 87 87 THR CG2 C 13 20.567 0.016 . 1 . . . A 616 THR CG2 . 17519 1 949 . 1 1 87 87 THR N N 15 124.674 0.038 . 1 . . . A 616 THR N . 17519 1 950 . 1 1 88 88 PRO HA H 1 4.092 0.002 . 1 . . . A 617 PRO HA . 17519 1 951 . 1 1 88 88 PRO HB2 H 1 2.415 0.005 . 2 . . . A 617 PRO HB2 . 17519 1 952 . 1 1 88 88 PRO HG2 H 1 1.737 0.006 . 2 . . . A 617 PRO HG2 . 17519 1 953 . 1 1 88 88 PRO HD2 H 1 3.369 0.005 . 2 . . . A 617 PRO HD2 . 17519 1 954 . 1 1 88 88 PRO C C 13 177.011 0 . 1 . . . A 617 PRO C . 17519 1 955 . 1 1 88 88 PRO CA C 13 62.887 0.018 . 1 . . . A 617 PRO CA . 17519 1 956 . 1 1 88 88 PRO CB C 13 32.324 0.025 . 1 . . . A 617 PRO CB . 17519 1 957 . 1 1 88 88 PRO CG C 13 27.491 0.022 . 1 . . . A 617 PRO CG . 17519 1 958 . 1 1 88 88 PRO CD C 13 53.127 0.017 . 1 . . . A 617 PRO CD . 17519 1 959 . 1 1 89 89 GLY H H 1 8.261 0.01 . 1 . . . A 618 GLY H . 17519 1 960 . 1 1 89 89 GLY HA2 H 1 4.128 0.008 . . . . . A 618 GLY HA2 . 17519 1 961 . 1 1 89 89 GLY HA3 H 1 3.422 0.008 . . . . . A 618 GLY HA3 . 17519 1 962 . 1 1 89 89 GLY C C 13 173.673 0 . 1 . . . A 618 GLY C . 17519 1 963 . 1 1 89 89 GLY CA C 13 43.996 0.056 . 1 . . . A 618 GLY CA . 17519 1 964 . 1 1 89 89 GLY N N 15 108.881 0.023 . 1 . . . A 618 GLY N . 17519 1 965 . 1 1 90 90 SER H H 1 8.38 0.004 . 1 . . . A 619 SER H . 17519 1 966 . 1 1 90 90 SER HA H 1 4.537 0.059 . 1 . . . A 619 SER HA . 17519 1 967 . 1 1 90 90 SER HB2 H 1 3.72 0.007 . 2 . . . A 619 SER HB2 . 17519 1 968 . 1 1 90 90 SER C C 13 175.706 0 . 1 . . . A 619 SER C . 17519 1 969 . 1 1 90 90 SER CA C 13 57.617 0.075 . 1 . . . A 619 SER CA . 17519 1 970 . 1 1 90 90 SER CB C 13 64.294 0.022 . 1 . . . A 619 SER CB . 17519 1 971 . 1 1 90 90 SER N N 15 114.743 0.041 . 1 . . . A 619 SER N . 17519 1 972 . 1 1 91 91 ASN H H 1 9.296 0.008 . 1 . . . A 620 ASN H . 17519 1 973 . 1 1 91 91 ASN HA H 1 4.412 0.007 . 1 . . . A 620 ASN HA . 17519 1 974 . 1 1 91 91 ASN HB2 H 1 3.035 0.007 . 1 . . . A 620 ASN HB2 . 17519 1 975 . 1 1 91 91 ASN HB3 H 1 2.701 0.007 . 1 . . . A 620 ASN HB3 . 17519 1 976 . 1 1 91 91 ASN HD21 H 1 7.574 0 . 1 . . . A 620 ASN HD21 . 17519 1 977 . 1 1 91 91 ASN HD22 H 1 6.893 0 . 1 . . . A 620 ASN HD22 . 17519 1 978 . 1 1 91 91 ASN C C 13 175.289 0 . 1 . . . A 620 ASN C . 17519 1 979 . 1 1 91 91 ASN CA C 13 54.353 0.048 . 1 . . . A 620 ASN CA . 17519 1 980 . 1 1 91 91 ASN CB C 13 37.733 0.039 . 1 . . . A 620 ASN CB . 17519 1 981 . 1 1 91 91 ASN N N 15 121.36 0.025 . 1 . . . A 620 ASN N . 17519 1 982 . 1 1 91 91 ASN ND2 N 15 113.047 0.002 . 1 . . . A 620 ASN ND2 . 17519 1 983 . 1 1 92 92 GLY H H 1 8.528 0.005 . 1 . . . A 621 GLY H . 17519 1 984 . 1 1 92 92 GLY HA2 H 1 4.262 0.012 . 1 . . . A 621 GLY HA2 . 17519 1 985 . 1 1 92 92 GLY HA3 H 1 3.717 0.01 . 1 . . . A 621 GLY HA3 . 17519 1 986 . 1 1 92 92 GLY C C 13 174.51 0 . 1 . . . A 621 GLY C . 17519 1 987 . 1 1 92 92 GLY CA C 13 45.229 0.111 . 1 . . . A 621 GLY CA . 17519 1 988 . 1 1 92 92 GLY N N 15 105.883 0.03 . 1 . . . A 621 GLY N . 17519 1 989 . 1 1 93 93 ALA H H 1 7.486 0.002 . 1 . . . A 622 ALA H . 17519 1 990 . 1 1 93 93 ALA HA H 1 4.416 0.007 . 1 . . . A 622 ALA HA . 17519 1 991 . 1 1 93 93 ALA HB1 H 1 1.557 0.002 . 1 . . . A 622 ALA HB1 . 17519 1 992 . 1 1 93 93 ALA HB2 H 1 1.557 0.002 . 1 . . . A 622 ALA HB2 . 17519 1 993 . 1 1 93 93 ALA HB3 H 1 1.557 0.002 . 1 . . . A 622 ALA HB3 . 17519 1 994 . 1 1 93 93 ALA C C 13 176.82 0 . 1 . . . A 622 ALA C . 17519 1 995 . 1 1 93 93 ALA CA C 13 51.851 0.003 . 1 . . . A 622 ALA CA . 17519 1 996 . 1 1 93 93 ALA CB C 13 19.804 0.056 . 1 . . . A 622 ALA CB . 17519 1 997 . 1 1 93 93 ALA N N 15 123.803 0.03 . 1 . . . A 622 ALA N . 17519 1 998 . 1 1 94 94 ALA H H 1 8.397 0.004 . 1 . . . A 623 ALA H . 17519 1 999 . 1 1 94 94 ALA HA H 1 4.59 0.006 . 1 . . . A 623 ALA HA . 17519 1 1000 . 1 1 94 94 ALA HB1 H 1 1.718 0.005 . 1 . . . A 623 ALA HB1 . 17519 1 1001 . 1 1 94 94 ALA HB2 H 1 1.718 0.005 . 1 . . . A 623 ALA HB2 . 17519 1 1002 . 1 1 94 94 ALA HB3 H 1 1.718 0.005 . 1 . . . A 623 ALA HB3 . 17519 1 1003 . 1 1 94 94 ALA C C 13 178.77 0 . 1 . . . A 623 ALA C . 17519 1 1004 . 1 1 94 94 ALA CA C 13 52.627 0.082 . 1 . . . A 623 ALA CA . 17519 1 1005 . 1 1 94 94 ALA CB C 13 20.087 0.079 . 1 . . . A 623 ALA CB . 17519 1 1006 . 1 1 94 94 ALA N N 15 123.284 0.031 . 1 . . . A 623 ALA N . 17519 1 1007 . 1 1 95 95 GLY H H 1 8.438 0.002 . 1 . . . A 624 GLY H . 17519 1 1008 . 1 1 95 95 GLY HA2 H 1 4.115 0.009 . 1 . . . A 624 GLY HA2 . 17519 1 1009 . 1 1 95 95 GLY HA3 H 1 3.931 0.008 . 1 . . . A 624 GLY HA3 . 17519 1 1010 . 1 1 95 95 GLY C C 13 173.156 0 . 1 . . . A 624 GLY C . 17519 1 1011 . 1 1 95 95 GLY CA C 13 44.857 0.024 . 1 . . . A 624 GLY CA . 17519 1 1012 . 1 1 95 95 GLY N N 15 108.97 0.038 . 1 . . . A 624 GLY N . 17519 1 1013 . 1 1 96 96 THR H H 1 7.833 0.001 . 1 . . . A 625 THR H . 17519 1 1014 . 1 1 96 96 THR HA H 1 4.603 0.003 . 1 . . . A 625 THR HA . 17519 1 1015 . 1 1 96 96 THR HB H 1 3.903 0.001 . 1 . . . A 625 THR HB . 17519 1 1016 . 1 1 96 96 THR HG21 H 1 1.138 0.002 . 1 . . . A 625 THR HG21 . 17519 1 1017 . 1 1 96 96 THR HG22 H 1 1.138 0.002 . 1 . . . A 625 THR HG22 . 17519 1 1018 . 1 1 96 96 THR HG23 H 1 1.138 0.002 . 1 . . . A 625 THR HG23 . 17519 1 1019 . 1 1 96 96 THR C C 13 172.765 0 . 1 . . . A 625 THR C . 17519 1 1020 . 1 1 96 96 THR CA C 13 60.35 0.089 . 1 . . . A 625 THR CA . 17519 1 1021 . 1 1 96 96 THR CB C 13 72.295 0.058 . 1 . . . A 625 THR CB . 17519 1 1022 . 1 1 96 96 THR CG2 C 13 21.857 0.036 . 1 . . . A 625 THR CG2 . 17519 1 1023 . 1 1 96 96 THR N N 15 108.929 0.045 . 1 . . . A 625 THR N . 17519 1 1024 . 1 1 97 97 ILE H H 1 8.594 0.004 . 1 . . . A 626 ILE H . 17519 1 1025 . 1 1 97 97 ILE HA H 1 4.817 0.004 . 1 . . . A 626 ILE HA . 17519 1 1026 . 1 1 97 97 ILE HB H 1 1.666 0.006 . 1 . . . A 626 ILE HB . 17519 1 1027 . 1 1 97 97 ILE HG13 H 1 0.977 0.012 . 2 . . . A 626 ILE HG13 . 17519 1 1028 . 1 1 97 97 ILE HG21 H 1 0.982 0.013 . 1 . . . A 626 ILE HG21 . 17519 1 1029 . 1 1 97 97 ILE HG22 H 1 0.982 0.013 . 1 . . . A 626 ILE HG22 . 17519 1 1030 . 1 1 97 97 ILE HG23 H 1 0.982 0.013 . 1 . . . A 626 ILE HG23 . 17519 1 1031 . 1 1 97 97 ILE HD11 H 1 0.527 0.002 . 1 . . . A 626 ILE HD11 . 17519 1 1032 . 1 1 97 97 ILE HD12 H 1 0.527 0.002 . 1 . . . A 626 ILE HD12 . 17519 1 1033 . 1 1 97 97 ILE HD13 H 1 0.527 0.002 . 1 . . . A 626 ILE HD13 . 17519 1 1034 . 1 1 97 97 ILE C C 13 175.596 0 . 1 . . . A 626 ILE C . 17519 1 1035 . 1 1 97 97 ILE CA C 13 61.049 0.059 . 1 . . . A 626 ILE CA . 17519 1 1036 . 1 1 97 97 ILE CB C 13 41.178 0.019 . 1 . . . A 626 ILE CB . 17519 1 1037 . 1 1 97 97 ILE CG1 C 13 29.39 0 . 1 . . . A 626 ILE CG1 . 17519 1 1038 . 1 1 97 97 ILE CG2 C 13 18.604 0.016 . 1 . . . A 626 ILE CG2 . 17519 1 1039 . 1 1 97 97 ILE CD1 C 13 14.351 0.01 . 1 . . . A 626 ILE CD1 . 17519 1 1040 . 1 1 97 97 ILE N N 15 123.623 0.057 . 1 . . . A 626 ILE N . 17519 1 1041 . 1 1 98 98 ARG H H 1 8.979 0.001 . 1 . . . A 627 ARG H . 17519 1 1042 . 1 1 98 98 ARG HA H 1 4.935 0.004 . 1 . . . A 627 ARG HA . 17519 1 1043 . 1 1 98 98 ARG HB2 H 1 1.804 0.001 . 1 . . . A 627 ARG HB2 . 17519 1 1044 . 1 1 98 98 ARG HB3 H 1 1.687 0.005 . 1 . . . A 627 ARG HB3 . 17519 1 1045 . 1 1 98 98 ARG HG2 H 1 1.679 0.011 . 1 . . . A 627 ARG HG2 . 17519 1 1046 . 1 1 98 98 ARG HG3 H 1 1.604 0.007 . 1 . . . A 627 ARG HG3 . 17519 1 1047 . 1 1 98 98 ARG HD3 H 1 3.159 0.002 . 2 . . . A 627 ARG HD3 . 17519 1 1048 . 1 1 98 98 ARG HE H 1 6.573 0 . 1 . . . A 627 ARG HE . 17519 1 1049 . 1 1 98 98 ARG C C 13 175.183 0 . 1 . . . A 627 ARG C . 17519 1 1050 . 1 1 98 98 ARG CA C 13 53.768 0.027 . 1 . . . A 627 ARG CA . 17519 1 1051 . 1 1 98 98 ARG CB C 13 33.776 0.005 . 1 . . . A 627 ARG CB . 17519 1 1052 . 1 1 98 98 ARG CG C 13 27.147 0 . 1 . . . A 627 ARG CG . 17519 1 1053 . 1 1 98 98 ARG CD C 13 43.329 0.008 . 1 . . . A 627 ARG CD . 17519 1 1054 . 1 1 98 98 ARG N N 15 127.431 0.035 . 1 . . . A 627 ARG N . 17519 1 1055 . 1 1 98 98 ARG NE N 15 118.196 0 . 1 . . . A 627 ARG NE . 17519 1 1056 . 1 1 99 99 THR H H 1 8.697 0.006 . 1 . . . A 628 THR H . 17519 1 1057 . 1 1 99 99 THR HA H 1 4.41 0.002 . 1 . . . A 628 THR HA . 17519 1 1058 . 1 1 99 99 THR HB H 1 4.216 0.002 . 1 . . . A 628 THR HB . 17519 1 1059 . 1 1 99 99 THR HG21 H 1 1.363 0.001 . 1 . . . A 628 THR HG21 . 17519 1 1060 . 1 1 99 99 THR HG22 H 1 1.363 0.001 . 1 . . . A 628 THR HG22 . 17519 1 1061 . 1 1 99 99 THR HG23 H 1 1.363 0.001 . 1 . . . A 628 THR HG23 . 17519 1 1062 . 1 1 99 99 THR C C 13 174.845 0 . 1 . . . A 628 THR C . 17519 1 1063 . 1 1 99 99 THR CA C 13 63.962 0.079 . 1 . . . A 628 THR CA . 17519 1 1064 . 1 1 99 99 THR CB C 13 69.488 0.068 . 1 . . . A 628 THR CB . 17519 1 1065 . 1 1 99 99 THR CG2 C 13 21.833 0.015 . 1 . . . A 628 THR CG2 . 17519 1 1066 . 1 1 99 99 THR N N 15 118.452 0.029 . 1 . . . A 628 THR N . 17519 1 1067 . 1 1 100 100 GLY H H 1 8.626 0.002 . 1 . . . A 629 GLY H . 17519 1 1068 . 1 1 100 100 GLY HA2 H 1 4.363 0.003 . 1 . . . A 629 GLY HA2 . 17519 1 1069 . 1 1 100 100 GLY HA3 H 1 3.582 0.001 . 1 . . . A 629 GLY HA3 . 17519 1 1070 . 1 1 100 100 GLY C C 13 171.903 0 . 1 . . . A 629 GLY C . 17519 1 1071 . 1 1 100 100 GLY CA C 13 43.747 0.05 . 1 . . . A 629 GLY CA . 17519 1 1072 . 1 1 100 100 GLY N N 15 114.137 0.027 . 1 . . . A 629 GLY N . 17519 1 1073 . 1 1 101 101 ALA H H 1 7.98 0.004 . 1 . . . A 630 ALA H . 17519 1 1074 . 1 1 101 101 ALA HA H 1 3.692 0.006 . 1 . . . A 630 ALA HA . 17519 1 1075 . 1 1 101 101 ALA HB1 H 1 0.904 0.002 . 1 . . . A 630 ALA HB1 . 17519 1 1076 . 1 1 101 101 ALA HB2 H 1 0.904 0.002 . 1 . . . A 630 ALA HB2 . 17519 1 1077 . 1 1 101 101 ALA HB3 H 1 0.904 0.002 . 1 . . . A 630 ALA HB3 . 17519 1 1078 . 1 1 101 101 ALA CA C 13 49.428 0.026 . 1 . . . A 630 ALA CA . 17519 1 1079 . 1 1 101 101 ALA CB C 13 18.071 0.051 . 1 . . . A 630 ALA CB . 17519 1 1080 . 1 1 101 101 ALA N N 15 120.627 0.038 . 1 . . . A 630 ALA N . 17519 1 1081 . 1 1 102 102 PRO HA H 1 4.125 0.002 . 1 . . . A 631 PRO HA . 17519 1 1082 . 1 1 102 102 PRO HB2 H 1 1.685 0.007 . 1 . . . A 631 PRO HB2 . 17519 1 1083 . 1 1 102 102 PRO HB3 H 1 1.192 0.008 . 1 . . . A 631 PRO HB3 . 17519 1 1084 . 1 1 102 102 PRO HG2 H 1 0.637 0.002 . 1 . . . A 631 PRO HG2 . 17519 1 1085 . 1 1 102 102 PRO HG3 H 1 0.467 0.005 . 1 . . . A 631 PRO HG3 . 17519 1 1086 . 1 1 102 102 PRO HD2 H 1 2.522 0.002 . 1 . . . A 631 PRO HD2 . 17519 1 1087 . 1 1 102 102 PRO HD3 H 1 1.699 0.008 . 1 . . . A 631 PRO HD3 . 17519 1 1088 . 1 1 102 102 PRO C C 13 175.721 0 . 1 . . . A 631 PRO C . 17519 1 1089 . 1 1 102 102 PRO CA C 13 62.94 0.02 . 1 . . . A 631 PRO CA . 17519 1 1090 . 1 1 102 102 PRO CB C 13 31.745 0.015 . 1 . . . A 631 PRO CB . 17519 1 1091 . 1 1 102 102 PRO CG C 13 26.567 0.014 . 1 . . . A 631 PRO CG . 17519 1 1092 . 1 1 102 102 PRO CD C 13 48.236 0.02 . 1 . . . A 631 PRO CD . 17519 1 1093 . 1 1 103 103 SER H H 1 7.969 0.006 . 1 . . . A 632 SER H . 17519 1 1094 . 1 1 103 103 SER HA H 1 4.295 0.003 . 1 . . . A 632 SER HA . 17519 1 1095 . 1 1 103 103 SER HB2 H 1 3.779 0.003 . 1 . . . A 632 SER HB2 . 17519 1 1096 . 1 1 103 103 SER HB3 H 1 3.706 0.002 . 1 . . . A 632 SER HB3 . 17519 1 1097 . 1 1 103 103 SER C C 13 173.816 0 . 1 . . . A 632 SER C . 17519 1 1098 . 1 1 103 103 SER CA C 13 57.689 0.068 . 1 . . . A 632 SER CA . 17519 1 1099 . 1 1 103 103 SER CB C 13 64.133 0.038 . 1 . . . A 632 SER CB . 17519 1 1100 . 1 1 103 103 SER N N 15 113.689 0.032 . 1 . . . A 632 SER N . 17519 1 1101 . 1 1 104 104 GLY H H 1 7.761 0.006 . 1 . . . A 633 GLY H . 17519 1 1102 . 1 1 104 104 GLY HA2 H 1 3.728 0.007 . 1 . . . A 633 GLY HA2 . 17519 1 1103 . 1 1 104 104 GLY HA3 H 1 3.696 0.011 . 1 . . . A 633 GLY HA3 . 17519 1 1104 . 1 1 104 104 GLY CA C 13 46.119 0.035 . 1 . . . A 633 GLY CA . 17519 1 1105 . 1 1 104 104 GLY N N 15 116.435 0.022 . 1 . . . A 633 GLY N . 17519 1 stop_ save_