data_30959 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30959 _Entry.Title ; Domain III (EDIII) of the POWV E glycoprotein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-10-07 _Entry.Accession_date 2021-10-07 _Entry.Last_release_date 2021-10-13 _Entry.Original_release_date 2021-10-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 R. Harris R. . . . 30959 2 S. Cahill S. M. . . 30959 3 D. Cowburn D. . . . 30959 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Powassan virus' . 30959 'VIRAL PROTEIN' . 30959 flavivirus . 30959 'monoclonal antibody' . 30959 'nanoparticle immunogen' . 30959 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30959 spectral_peak_list 1 30959 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 459 30959 '15N chemical shifts' 106 30959 '1H chemical shifts' 714 30959 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-06-27 2021-10-07 update BMRB 'update entry citation' 30959 1 . . 2022-05-12 2021-10-07 original author 'original release' 30959 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7SGT 'BMRB Entry Tracking System' 30959 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30959 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35679349 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A Powassan virus domain III nanoparticle immunogen elicits neutralizing and protective antibodies in mice ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Pathog.' _Citation.Journal_name_full 'PLoS pathogens' _Citation.Journal_volume 18 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1553-7374 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e1010573 _Citation.Page_last e1010573 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 R. Malonis R. J. . . 30959 1 2 G. Georgiev G. I. . . 30959 1 3 D. Haslwanter D. . . . 30959 1 4 L. VanBlargan L. A. . . 30959 1 5 G. Fallon G. . . . 30959 1 6 O. Vergnolle O. . . . 30959 1 7 S. Cahill S. M. . . 30959 1 8 R. Harris R. . . . 30959 1 9 D. Cowburn D. . . . 30959 1 10 K. Chandran K. . . . 30959 1 11 M. Diamond M. S. . . 30959 1 12 J. Lai J. R. . . 30959 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30959 _Assembly.ID 1 _Assembly.Name 'Envelope protein E' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 30959 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30959 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SNTYSMCDKTKFKWKRVPVD SGHDTVVMEVSYTGSDKPCR IPVRAVAHGVPTINVAMLIT PNPTIETSGGGFIEMQLPPG DNIIYVGDLSQQWFQKGSTI GR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11182.757 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 579 SER . 30959 1 2 580 ASN . 30959 1 3 581 THR . 30959 1 4 582 TYR . 30959 1 5 583 SER . 30959 1 6 584 MET . 30959 1 7 585 CYS . 30959 1 8 586 ASP . 30959 1 9 587 LYS . 30959 1 10 588 THR . 30959 1 11 589 LYS . 30959 1 12 590 PHE . 30959 1 13 591 LYS . 30959 1 14 592 TRP . 30959 1 15 593 LYS . 30959 1 16 594 ARG . 30959 1 17 595 VAL . 30959 1 18 596 PRO . 30959 1 19 597 VAL . 30959 1 20 598 ASP . 30959 1 21 599 SER . 30959 1 22 600 GLY . 30959 1 23 601 HIS . 30959 1 24 602 ASP . 30959 1 25 603 THR . 30959 1 26 604 VAL . 30959 1 27 605 VAL . 30959 1 28 606 MET . 30959 1 29 607 GLU . 30959 1 30 608 VAL . 30959 1 31 609 SER . 30959 1 32 610 TYR . 30959 1 33 611 THR . 30959 1 34 612 GLY . 30959 1 35 613 SER . 30959 1 36 614 ASP . 30959 1 37 615 LYS . 30959 1 38 616 PRO . 30959 1 39 617 CYS . 30959 1 40 618 ARG . 30959 1 41 619 ILE . 30959 1 42 620 PRO . 30959 1 43 621 VAL . 30959 1 44 622 ARG . 30959 1 45 623 ALA . 30959 1 46 624 VAL . 30959 1 47 625 ALA . 30959 1 48 626 HIS . 30959 1 49 627 GLY . 30959 1 50 628 VAL . 30959 1 51 629 PRO . 30959 1 52 630 THR . 30959 1 53 631 ILE . 30959 1 54 632 ASN . 30959 1 55 633 VAL . 30959 1 56 634 ALA . 30959 1 57 635 MET . 30959 1 58 636 LEU . 30959 1 59 637 ILE . 30959 1 60 638 THR . 30959 1 61 639 PRO . 30959 1 62 640 ASN . 30959 1 63 641 PRO . 30959 1 64 642 THR . 30959 1 65 643 ILE . 30959 1 66 644 GLU . 30959 1 67 645 THR . 30959 1 68 646 SER . 30959 1 69 647 GLY . 30959 1 70 648 GLY . 30959 1 71 649 GLY . 30959 1 72 650 PHE . 30959 1 73 651 ILE . 30959 1 74 652 GLU . 30959 1 75 653 MET . 30959 1 76 654 GLN . 30959 1 77 655 LEU . 30959 1 78 656 PRO . 30959 1 79 657 PRO . 30959 1 80 658 GLY . 30959 1 81 659 ASP . 30959 1 82 660 ASN . 30959 1 83 661 ILE . 30959 1 84 662 ILE . 30959 1 85 663 TYR . 30959 1 86 664 VAL . 30959 1 87 665 GLY . 30959 1 88 666 ASP . 30959 1 89 667 LEU . 30959 1 90 668 SER . 30959 1 91 669 GLN . 30959 1 92 670 GLN . 30959 1 93 671 TRP . 30959 1 94 672 PHE . 30959 1 95 673 GLN . 30959 1 96 674 LYS . 30959 1 97 675 GLY . 30959 1 98 676 SER . 30959 1 99 677 THR . 30959 1 100 678 ILE . 30959 1 101 679 GLY . 30959 1 102 680 ARG . 30959 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 30959 1 . ASN 2 2 30959 1 . THR 3 3 30959 1 . TYR 4 4 30959 1 . SER 5 5 30959 1 . MET 6 6 30959 1 . CYS 7 7 30959 1 . ASP 8 8 30959 1 . LYS 9 9 30959 1 . THR 10 10 30959 1 . LYS 11 11 30959 1 . PHE 12 12 30959 1 . LYS 13 13 30959 1 . TRP 14 14 30959 1 . LYS 15 15 30959 1 . ARG 16 16 30959 1 . VAL 17 17 30959 1 . PRO 18 18 30959 1 . VAL 19 19 30959 1 . ASP 20 20 30959 1 . SER 21 21 30959 1 . GLY 22 22 30959 1 . HIS 23 23 30959 1 . ASP 24 24 30959 1 . THR 25 25 30959 1 . VAL 26 26 30959 1 . VAL 27 27 30959 1 . MET 28 28 30959 1 . GLU 29 29 30959 1 . VAL 30 30 30959 1 . SER 31 31 30959 1 . TYR 32 32 30959 1 . THR 33 33 30959 1 . GLY 34 34 30959 1 . SER 35 35 30959 1 . ASP 36 36 30959 1 . LYS 37 37 30959 1 . PRO 38 38 30959 1 . CYS 39 39 30959 1 . ARG 40 40 30959 1 . ILE 41 41 30959 1 . PRO 42 42 30959 1 . VAL 43 43 30959 1 . ARG 44 44 30959 1 . ALA 45 45 30959 1 . VAL 46 46 30959 1 . ALA 47 47 30959 1 . HIS 48 48 30959 1 . GLY 49 49 30959 1 . VAL 50 50 30959 1 . PRO 51 51 30959 1 . THR 52 52 30959 1 . ILE 53 53 30959 1 . ASN 54 54 30959 1 . VAL 55 55 30959 1 . ALA 56 56 30959 1 . MET 57 57 30959 1 . LEU 58 58 30959 1 . ILE 59 59 30959 1 . THR 60 60 30959 1 . PRO 61 61 30959 1 . ASN 62 62 30959 1 . PRO 63 63 30959 1 . THR 64 64 30959 1 . ILE 65 65 30959 1 . GLU 66 66 30959 1 . THR 67 67 30959 1 . SER 68 68 30959 1 . GLY 69 69 30959 1 . GLY 70 70 30959 1 . GLY 71 71 30959 1 . PHE 72 72 30959 1 . ILE 73 73 30959 1 . GLU 74 74 30959 1 . MET 75 75 30959 1 . GLN 76 76 30959 1 . LEU 77 77 30959 1 . PRO 78 78 30959 1 . PRO 79 79 30959 1 . GLY 80 80 30959 1 . ASP 81 81 30959 1 . ASN 82 82 30959 1 . ILE 83 83 30959 1 . ILE 84 84 30959 1 . TYR 85 85 30959 1 . VAL 86 86 30959 1 . GLY 87 87 30959 1 . ASP 88 88 30959 1 . LEU 89 89 30959 1 . SER 90 90 30959 1 . GLN 91 91 30959 1 . GLN 92 92 30959 1 . TRP 93 93 30959 1 . PHE 94 94 30959 1 . GLN 95 95 30959 1 . LYS 96 96 30959 1 . GLY 97 97 30959 1 . SER 98 98 30959 1 . THR 99 99 30959 1 . ILE 100 100 30959 1 . GLY 101 101 30959 1 . ARG 102 102 30959 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 30959 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 39008 organism . 'Tick-borne powassan virus (strain LB)' 'POWV, Powassan virus' . . Viruses . Flavivirus 'Powassan virus' LB . . . . . . . . . . . . 30959 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 30959 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . pet . . . . . . 30959 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30959 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; .5 mM [U-15N] domain III (EDIII) of the POWV E glycoprotein, 20 mM sodium phosphate, 50 mM sodium chloride, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'domain III (EDIII) of the POWV E glycoprotein' [U-15N] . . 1 $entity_1 . . .5 . . mM 0.1 . . . 30959 1 2 'sodium phosphate' none . . . . . . 20 . . mM 0.01 . . . 30959 1 3 'sodium chloride' none . . . . . . 50 . . mM 0.1 . . . 30959 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30959 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-15N] domain III (EDIII) of the POWV E glycoprotein, 20 mM sodium phosphate, 50 mM sodium chloride, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'domain III (EDIII) of the POWV E glycoprotein' [U-15N] . . 1 $entity_1 . . 1 . . mM 0.1 . . . 30959 2 2 'sodium phosphate' none . . . . . . 20 . . mM 0.01 . . . 30959 2 3 'sodium chloride' none . . . . . . 50 . . mM 0.1 . . . 30959 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30959 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-15N] domain III (EDIII) of the POWV E glycoprotein, 20 mM sodium phosphate, 50 mM sodium chloride, 100% D2O ; _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 'domain III (EDIII) of the POWV E glycoprotein' [U-15N] . . 1 $entity_1 . . 1 . . mM 0.1 . . . 30959 3 2 'sodium phosphate' none . . . . . . 20 . . mM 0.01 . . . 30959 3 3 'sodium chloride' none . . . . . . 50 . . mM 0.1 . . . 30959 3 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 30959 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 1 mM 30959 1 pH 6.2 .1 pH* 30959 1 pressure 1 0 atm 30959 1 temperature 278 0.1 K 30959 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30959 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 1 mM 30959 2 pH 6.2 .1 pH* 30959 2 pressure 1 0 atm 30959 2 temperature 278 0.1 K 30959 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 30959 _Sample_condition_list.ID 3 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 1 mM 30959 3 pH 6.2 .1 pD 30959 3 pressure 1 0 atm 30959 3 temperature 278 0.1 K 30959 3 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30959 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 1,3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30959 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30959 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30959 _Software.ID 2 _Software.Type . _Software.Name TopSpin _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30959 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30959 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30959 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30959 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30959 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30959 _Software.ID 4 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30959 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30959 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30959 _Software.ID 5 _Software.Type . _Software.Name ARIA _Software.Version 2.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 30959 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30959 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30959 _Software.ID 6 _Software.Type . _Software.Name SideR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID https://www.ucl.ac.uk/hansen-lab/sider_dfh . . 30959 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30959 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30959 _Software.ID 7 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30959 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30959 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30959 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details Einstein _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30959 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details NYSBC _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE DMX' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30959 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details NYSBC _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 30959 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 600 . . . 30959 1 2 NMR_spectrometer_2 Bruker 'AVANCE DMX' . 800 . . . 30959 1 3 NMR_spectrometer_3 Bruker 'AVANCE III HD' . 700 . . . 30959 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 30959 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30959 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30959 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30959 1 4 HNHA no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30959 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30959 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30959 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30959 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30959 1 9 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30959 1 10 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30959 1 11 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30959 1 12 HN(CA)CB no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30959 1 13 '3D HN(COCA)CB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30959 1 14 'HN(CO)NH TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30959 1 15 'HC(CO)NH TOCSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30959 1 16 '13C HSQC aro' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30959 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30959 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details TSP loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 30959 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 30959 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 30959 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30959 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 30959 1 2 '3D 1H-15N NOESY' . . . 30959 1 3 '3D 1H-15N TOCSY' . . . 30959 1 4 HNHA . . . 30959 1 5 '2D 1H-15N HSQC' . . . 30959 1 6 '2D 1H-13C HSQC aliphatic' . . . 30959 1 7 '3D 1H-13C NOESY' . . . 30959 1 8 '3D 1H-13C NOESY aromatic' . . . 30959 1 9 '3D HNCO' . . . 30959 1 10 '3D HN(CO)CA' . . . 30959 1 11 '3D HNCA' . . . 30959 1 12 HN(CA)CB . . . 30959 1 13 '3D HN(COCA)CB' . . . 30959 1 14 'HN(CO)NH TOCSY' . . . 30959 1 15 'HC(CO)NH TOCSY' . . . 30959 1 16 '13C HSQC aro' . . . 30959 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 SER HA H 1 4.112 0 . 1 . . . . A 579 SER HA . 30959 2 2 . 1 . 1 1 1 SER HB2 H 1 3.945 0 . 2 . . . . A 579 SER HB2 . 30959 2 3 . 1 . 1 1 1 SER HB3 H 1 3.945 0 . 2 . . . . A 579 SER HB3 . 30959 2 4 . 1 . 1 1 1 SER CA C 13 57.467 0 . 1 . . . . A 579 SER CA . 30959 2 5 . 1 . 1 1 1 SER CB C 13 63.303 0 . 1 . . . . A 579 SER CB . 30959 2 6 . 1 . 1 2 2 ASN HA H 1 4.756 0 . 1 . . . . A 580 ASN HA . 30959 2 7 . 1 . 1 2 2 ASN HB2 H 1 2.629 0 . 2 . . . . A 580 ASN HB2 . 30959 2 8 . 1 . 1 2 2 ASN HB3 H 1 2.662 0 . 2 . . . . A 580 ASN HB3 . 30959 2 9 . 1 . 1 2 2 ASN HD21 H 1 7.574 0 . 1 . . . . A 580 ASN HD21 . 30959 2 10 . 1 . 1 2 2 ASN HD22 H 1 6.894 0 . 1 . . . . A 580 ASN HD22 . 30959 2 11 . 1 . 1 2 2 ASN C C 13 174.738 0 . 1 . . . . A 580 ASN C . 30959 2 12 . 1 . 1 2 2 ASN CA C 13 53.265 0 . 1 . . . . A 580 ASN CA . 30959 2 13 . 1 . 1 2 2 ASN CB C 13 39.15 0 . 1 . . . . A 580 ASN CB . 30959 2 14 . 1 . 1 2 2 ASN CG C 13 176.814 0 . 1 . . . . A 580 ASN CG . 30959 2 15 . 1 . 1 2 2 ASN ND2 N 15 113.059 0.01400000003 . 1 . . . . A 580 ASN ND2 . 30959 2 16 . 1 . 1 3 3 THR H H 1 8.15 0 . 1 . . . . A 581 THR H . 30959 2 17 . 1 . 1 3 3 THR HA H 1 4.244 0 . 1 . . . . A 581 THR HA . 30959 2 18 . 1 . 1 3 3 THR HB H 1 4.074 0 . 1 . . . . A 581 THR HB . 30959 2 19 . 1 . 1 3 3 THR HG21 H 1 1.082 0 . 1 . . . . A 581 THR HG21 . 30959 2 20 . 1 . 1 3 3 THR HG22 H 1 1.082 0 . 1 . . . . A 581 THR HG22 . 30959 2 21 . 1 . 1 3 3 THR HG23 H 1 1.082 0 . 1 . . . . A 581 THR HG23 . 30959 2 22 . 1 . 1 3 3 THR C C 13 173.99 0 . 1 . . . . A 581 THR C . 30959 2 23 . 1 . 1 3 3 THR CA C 13 61.475 0 . 1 . . . . A 581 THR CA . 30959 2 24 . 1 . 1 3 3 THR CB C 13 69.706 0 . 1 . . . . A 581 THR CB . 30959 2 25 . 1 . 1 3 3 THR CG2 C 13 21.317 0 . 1 . . . . A 581 THR CG2 . 30959 2 26 . 1 . 1 3 3 THR N N 15 115.173 0 . 1 . . . . A 581 THR N . 30959 2 27 . 1 . 1 4 4 TYR H H 1 8.11 0 . 1 . . . . A 582 TYR H . 30959 2 28 . 1 . 1 4 4 TYR HA H 1 4.8 0 . 1 . . . . A 582 TYR HA . 30959 2 29 . 1 . 1 4 4 TYR HB2 H 1 2.734 0 . 2 . . . . A 582 TYR HB2 . 30959 2 30 . 1 . 1 4 4 TYR HB3 H 1 3.196 0 . 2 . . . . A 582 TYR HB3 . 30959 2 31 . 1 . 1 4 4 TYR HD1 H 1 6.94 0 . 3 . . . . A 582 TYR HD1 . 30959 2 32 . 1 . 1 4 4 TYR HD2 H 1 6.94 0 . 3 . . . . A 582 TYR HD2 . 30959 2 33 . 1 . 1 4 4 TYR HE1 H 1 6.836 0 . 3 . . . . A 582 TYR HE1 . 30959 2 34 . 1 . 1 4 4 TYR HE2 H 1 6.836 0 . 3 . . . . A 582 TYR HE2 . 30959 2 35 . 1 . 1 4 4 TYR C C 13 176.103 0 . 1 . . . . A 582 TYR C . 30959 2 36 . 1 . 1 4 4 TYR CA C 13 56.399 0 . 1 . . . . A 582 TYR CA . 30959 2 37 . 1 . 1 4 4 TYR CB C 13 39.757 0 . 1 . . . . A 582 TYR CB . 30959 2 38 . 1 . 1 4 4 TYR CD1 C 13 132.404 0 . 3 . . . . A 582 TYR CD1 . 30959 2 39 . 1 . 1 4 4 TYR CD2 C 13 132.404 0 . 3 . . . . A 582 TYR CD2 . 30959 2 40 . 1 . 1 4 4 TYR CE1 C 13 118.502 0 . 3 . . . . A 582 TYR CE1 . 30959 2 41 . 1 . 1 4 4 TYR CE2 C 13 118.502 0 . 3 . . . . A 582 TYR CE2 . 30959 2 42 . 1 . 1 4 4 TYR N N 15 122.062 0 . 1 . . . . A 582 TYR N . 30959 2 43 . 1 . 1 5 5 SER H H 1 8.725 0 . 1 . . . . A 583 SER H . 30959 2 44 . 1 . 1 5 5 SER HA H 1 4.551 0 . 1 . . . . A 583 SER HA . 30959 2 45 . 1 . 1 5 5 SER HB2 H 1 3.892 0 . 2 . . . . A 583 SER HB2 . 30959 2 46 . 1 . 1 5 5 SER HB3 H 1 3.979 0 . 2 . . . . A 583 SER HB3 . 30959 2 47 . 1 . 1 5 5 SER C C 13 173.81 0 . 1 . . . . A 583 SER C . 30959 2 48 . 1 . 1 5 5 SER CA C 13 58.147 0 . 1 . . . . A 583 SER CA . 30959 2 49 . 1 . 1 5 5 SER CB C 13 64.042 0 . 1 . . . . A 583 SER CB . 30959 2 50 . 1 . 1 5 5 SER N N 15 117.361 0 . 1 . . . . A 583 SER N . 30959 2 51 . 1 . 1 6 6 MET H H 1 8.716 0 . 1 . . . . A 584 MET H . 30959 2 52 . 1 . 1 6 6 MET HA H 1 4.848 0 . 1 . . . . A 584 MET HA . 30959 2 53 . 1 . 1 6 6 MET HB2 H 1 2.083 0 . 2 . . . . A 584 MET HB2 . 30959 2 54 . 1 . 1 6 6 MET HB3 H 1 2.085 0 . 2 . . . . A 584 MET HB3 . 30959 2 55 . 1 . 1 6 6 MET HG2 H 1 2.716 0 . 2 . . . . A 584 MET HG2 . 30959 2 56 . 1 . 1 6 6 MET HG3 H 1 2.814 0 . 2 . . . . A 584 MET HG3 . 30959 2 57 . 1 . 1 6 6 MET HE1 H 1 1.974 0 . 1 . . . . A 584 MET HE1 . 30959 2 58 . 1 . 1 6 6 MET HE2 H 1 1.974 0 . 1 . . . . A 584 MET HE2 . 30959 2 59 . 1 . 1 6 6 MET HE3 H 1 1.974 0 . 1 . . . . A 584 MET HE3 . 30959 2 60 . 1 . 1 6 6 MET C C 13 178.034 0 . 1 . . . . A 584 MET C . 30959 2 61 . 1 . 1 6 6 MET CA C 13 54.941 0 . 1 . . . . A 584 MET CA . 30959 2 62 . 1 . 1 6 6 MET CB C 13 31.737 0 . 1 . . . . A 584 MET CB . 30959 2 63 . 1 . 1 6 6 MET CG C 13 31.763 0 . 1 . . . . A 584 MET CG . 30959 2 64 . 1 . 1 6 6 MET CE C 13 15.878 0 . 1 . . . . A 584 MET CE . 30959 2 65 . 1 . 1 6 6 MET N N 15 121.232 0 . 1 . . . . A 584 MET N . 30959 2 66 . 1 . 1 7 7 CYS H H 1 9.584 0 . 1 . . . . A 585 CYS H . 30959 2 67 . 1 . 1 7 7 CYS HA H 1 4.445 0 . 1 . . . . A 585 CYS HA . 30959 2 68 . 1 . 1 7 7 CYS HB2 H 1 2.113 0 . 2 . . . . A 585 CYS HB2 . 30959 2 69 . 1 . 1 7 7 CYS HB3 H 1 2.942 0 . 2 . . . . A 585 CYS HB3 . 30959 2 70 . 1 . 1 7 7 CYS C C 13 173.564 0 . 1 . . . . A 585 CYS C . 30959 2 71 . 1 . 1 7 7 CYS CA C 13 54.096 0 . 1 . . . . A 585 CYS CA . 30959 2 72 . 1 . 1 7 7 CYS CB C 13 40.433 0 . 1 . . . . A 585 CYS CB . 30959 2 73 . 1 . 1 7 7 CYS N N 15 124.694 0 . 1 . . . . A 585 CYS N . 30959 2 74 . 1 . 1 8 8 ASP H H 1 8.768 0 . 1 . . . . A 586 ASP H . 30959 2 75 . 1 . 1 8 8 ASP HA H 1 4.502 0 . 1 . . . . A 586 ASP HA . 30959 2 76 . 1 . 1 8 8 ASP HB2 H 1 2.831 0 . 2 . . . . A 586 ASP HB2 . 30959 2 77 . 1 . 1 8 8 ASP HB3 H 1 3 0 . 2 . . . . A 586 ASP HB3 . 30959 2 78 . 1 . 1 8 8 ASP C C 13 177.703 0 . 1 . . . . A 586 ASP C . 30959 2 79 . 1 . 1 8 8 ASP CA C 13 54.862 0 . 1 . . . . A 586 ASP CA . 30959 2 80 . 1 . 1 8 8 ASP CB C 13 41.833 0 . 1 . . . . A 586 ASP CB . 30959 2 81 . 1 . 1 8 8 ASP N N 15 122.531 0 . 1 . . . . A 586 ASP N . 30959 2 82 . 1 . 1 9 9 LYS H H 1 8.488 0 . 1 . . . . A 587 LYS H . 30959 2 83 . 1 . 1 9 9 LYS HA H 1 4.212 0 . 1 . . . . A 587 LYS HA . 30959 2 84 . 1 . 1 9 9 LYS HB2 H 1 1.88 0 . 2 . . . . A 587 LYS HB2 . 30959 2 85 . 1 . 1 9 9 LYS HB3 H 1 1.959 0 . 2 . . . . A 587 LYS HB3 . 30959 2 86 . 1 . 1 9 9 LYS HG2 H 1 1.557 0 . 2 . . . . A 587 LYS HG2 . 30959 2 87 . 1 . 1 9 9 LYS HG3 H 1 1.557 0 . 2 . . . . A 587 LYS HG3 . 30959 2 88 . 1 . 1 9 9 LYS HD2 H 1 1.709 0 . 2 . . . . A 587 LYS HD2 . 30959 2 89 . 1 . 1 9 9 LYS HD3 H 1 1.709 0 . 2 . . . . A 587 LYS HD3 . 30959 2 90 . 1 . 1 9 9 LYS HE2 H 1 3.014 0 . 2 . . . . A 587 LYS HE2 . 30959 2 91 . 1 . 1 9 9 LYS HE3 H 1 3.016 0 . 2 . . . . A 587 LYS HE3 . 30959 2 92 . 1 . 1 9 9 LYS C C 13 177.04 0 . 1 . . . . A 587 LYS C . 30959 2 93 . 1 . 1 9 9 LYS CA C 13 58.922 0 . 1 . . . . A 587 LYS CA . 30959 2 94 . 1 . 1 9 9 LYS CB C 13 32.648 0 . 1 . . . . A 587 LYS CB . 30959 2 95 . 1 . 1 9 9 LYS CG C 13 24.47 0 . 1 . . . . A 587 LYS CG . 30959 2 96 . 1 . 1 9 9 LYS CD C 13 29.475 0 . 1 . . . . A 587 LYS CD . 30959 2 97 . 1 . 1 9 9 LYS CE C 13 42.005 0 . 1 . . . . A 587 LYS CE . 30959 2 98 . 1 . 1 9 9 LYS N N 15 124.911 0 . 1 . . . . A 587 LYS N . 30959 2 99 . 1 . 1 10 10 THR H H 1 9.18 0 . 1 . . . . A 588 THR H . 30959 2 100 . 1 . 1 10 10 THR HA H 1 4.63 0 . 1 . . . . A 588 THR HA . 30959 2 101 . 1 . 1 10 10 THR HB H 1 4.484 0 . 1 . . . . A 588 THR HB . 30959 2 102 . 1 . 1 10 10 THR HG21 H 1 1.366 0 . 1 . . . . A 588 THR HG21 . 30959 2 103 . 1 . 1 10 10 THR HG22 H 1 1.366 0 . 1 . . . . A 588 THR HG22 . 30959 2 104 . 1 . 1 10 10 THR HG23 H 1 1.366 0 . 1 . . . . A 588 THR HG23 . 30959 2 105 . 1 . 1 10 10 THR C C 13 176.895 0 . 1 . . . . A 588 THR C . 30959 2 106 . 1 . 1 10 10 THR CA C 13 63.292 0 . 1 . . . . A 588 THR CA . 30959 2 107 . 1 . 1 10 10 THR CB C 13 70.445 0 . 1 . . . . A 588 THR CB . 30959 2 108 . 1 . 1 10 10 THR CG2 C 13 22.028 0 . 1 . . . . A 588 THR CG2 . 30959 2 109 . 1 . 1 10 10 THR N N 15 111.661 0 . 1 . . . . A 588 THR N . 30959 2 110 . 1 . 1 11 11 LYS H H 1 7.161 0 . 1 . . . . A 589 LYS H . 30959 2 111 . 1 . 1 11 11 LYS HA H 1 4.428 0 . 1 . . . . A 589 LYS HA . 30959 2 112 . 1 . 1 11 11 LYS HB2 H 1 1.194 0 . 2 . . . . A 589 LYS HB2 . 30959 2 113 . 1 . 1 11 11 LYS HB3 H 1 1.721 0 . 2 . . . . A 589 LYS HB3 . 30959 2 114 . 1 . 1 11 11 LYS HG2 H 1 0.858 0 . 2 . . . . A 589 LYS HG2 . 30959 2 115 . 1 . 1 11 11 LYS HG3 H 1 1.093 0 . 2 . . . . A 589 LYS HG3 . 30959 2 116 . 1 . 1 11 11 LYS HD2 H 1 1.147 0 . 2 . . . . A 589 LYS HD2 . 30959 2 117 . 1 . 1 11 11 LYS HD3 H 1 1.151 0 . 2 . . . . A 589 LYS HD3 . 30959 2 118 . 1 . 1 11 11 LYS HE2 H 1 2.769 0 . 2 . . . . A 589 LYS HE2 . 30959 2 119 . 1 . 1 11 11 LYS HE3 H 1 2.856 0 . 2 . . . . A 589 LYS HE3 . 30959 2 120 . 1 . 1 11 11 LYS C C 13 173.98 0 . 1 . . . . A 589 LYS C . 30959 2 121 . 1 . 1 11 11 LYS CA C 13 55.938 0 . 1 . . . . A 589 LYS CA . 30959 2 122 . 1 . 1 11 11 LYS CB C 13 32.708 0 . 1 . . . . A 589 LYS CB . 30959 2 123 . 1 . 1 11 11 LYS CG C 13 25.596 0 . 1 . . . . A 589 LYS CG . 30959 2 124 . 1 . 1 11 11 LYS CD C 13 29.278 0 . 1 . . . . A 589 LYS CD . 30959 2 125 . 1 . 1 11 11 LYS CE C 13 42.357 0 . 1 . . . . A 589 LYS CE . 30959 2 126 . 1 . 1 11 11 LYS N N 15 121.378 0 . 1 . . . . A 589 LYS N . 30959 2 127 . 1 . 1 12 12 PHE H H 1 8.627 0 . 1 . . . . A 590 PHE H . 30959 2 128 . 1 . 1 12 12 PHE HA H 1 5.515 0 . 1 . . . . A 590 PHE HA . 30959 2 129 . 1 . 1 12 12 PHE HB2 H 1 2.656 0 . 2 . . . . A 590 PHE HB2 . 30959 2 130 . 1 . 1 12 12 PHE HB3 H 1 3.105 0 . 2 . . . . A 590 PHE HB3 . 30959 2 131 . 1 . 1 12 12 PHE HD1 H 1 7.195 0 . 3 . . . . A 590 PHE HD1 . 30959 2 132 . 1 . 1 12 12 PHE HD2 H 1 7.195 0 . 3 . . . . A 590 PHE HD2 . 30959 2 133 . 1 . 1 12 12 PHE HE1 H 1 6.786 0 . 3 . . . . A 590 PHE HE1 . 30959 2 134 . 1 . 1 12 12 PHE HE2 H 1 6.786 0 . 3 . . . . A 590 PHE HE2 . 30959 2 135 . 1 . 1 12 12 PHE HZ H 1 6.511 0 . 1 . . . . A 590 PHE HZ . 30959 2 136 . 1 . 1 12 12 PHE C C 13 175.623 0 . 1 . . . . A 590 PHE C . 30959 2 137 . 1 . 1 12 12 PHE CA C 13 58.405 0 . 1 . . . . A 590 PHE CA . 30959 2 138 . 1 . 1 12 12 PHE CB C 13 42.326 0 . 1 . . . . A 590 PHE CB . 30959 2 139 . 1 . 1 12 12 PHE CD1 C 13 132.304 0 . 3 . . . . A 590 PHE CD1 . 30959 2 140 . 1 . 1 12 12 PHE CD2 C 13 132.304 0 . 3 . . . . A 590 PHE CD2 . 30959 2 141 . 1 . 1 12 12 PHE CE1 C 13 130.526 0 . 3 . . . . A 590 PHE CE1 . 30959 2 142 . 1 . 1 12 12 PHE CE2 C 13 130.526 0 . 3 . . . . A 590 PHE CE2 . 30959 2 143 . 1 . 1 12 12 PHE CZ C 13 129.214 0 . 1 . . . . A 590 PHE CZ . 30959 2 144 . 1 . 1 12 12 PHE N N 15 116.949 0 . 1 . . . . A 590 PHE N . 30959 2 145 . 1 . 1 13 13 LYS H H 1 8.539 0 . 1 . . . . A 591 LYS H . 30959 2 146 . 1 . 1 13 13 LYS HA H 1 4.488 0 . 1 . . . . A 591 LYS HA . 30959 2 147 . 1 . 1 13 13 LYS HB2 H 1 1.595 0 . 2 . . . . A 591 LYS HB2 . 30959 2 148 . 1 . 1 13 13 LYS HB3 H 1 1.795 0 . 2 . . . . A 591 LYS HB3 . 30959 2 149 . 1 . 1 13 13 LYS HG2 H 1 1.319 0 . 2 . . . . A 591 LYS HG2 . 30959 2 150 . 1 . 1 13 13 LYS HG3 H 1 1.332 0 . 2 . . . . A 591 LYS HG3 . 30959 2 151 . 1 . 1 13 13 LYS HD2 H 1 1.614 0 . 2 . . . . A 591 LYS HD2 . 30959 2 152 . 1 . 1 13 13 LYS HD3 H 1 1.616 0 . 2 . . . . A 591 LYS HD3 . 30959 2 153 . 1 . 1 13 13 LYS HE2 H 1 2.903 0 . 2 . . . . A 591 LYS HE2 . 30959 2 154 . 1 . 1 13 13 LYS HE3 H 1 2.961 0 . 2 . . . . A 591 LYS HE3 . 30959 2 155 . 1 . 1 13 13 LYS C C 13 176.14 0 . 1 . . . . A 591 LYS C . 30959 2 156 . 1 . 1 13 13 LYS CA C 13 54.91 0 . 1 . . . . A 591 LYS CA . 30959 2 157 . 1 . 1 13 13 LYS CB C 13 36.628 0 . 1 . . . . A 591 LYS CB . 30959 2 158 . 1 . 1 13 13 LYS CG C 13 24.732 0 . 1 . . . . A 591 LYS CG . 30959 2 159 . 1 . 1 13 13 LYS CD C 13 29.23 0 . 1 . . . . A 591 LYS CD . 30959 2 160 . 1 . 1 13 13 LYS CE C 13 42.1 0 . 1 . . . . A 591 LYS CE . 30959 2 161 . 1 . 1 13 13 LYS N N 15 117.537 0 . 1 . . . . A 591 LYS N . 30959 2 162 . 1 . 1 14 14 TRP H H 1 8.933 0 . 1 . . . . A 592 TRP H . 30959 2 163 . 1 . 1 14 14 TRP HA H 1 4.751 0 . 1 . . . . A 592 TRP HA . 30959 2 164 . 1 . 1 14 14 TRP HB2 H 1 2.959 0 . 2 . . . . A 592 TRP HB2 . 30959 2 165 . 1 . 1 14 14 TRP HB3 H 1 3.226 0 . 2 . . . . A 592 TRP HB3 . 30959 2 166 . 1 . 1 14 14 TRP HD1 H 1 7.484 0 . 1 . . . . A 592 TRP HD1 . 30959 2 167 . 1 . 1 14 14 TRP HE1 H 1 10.141 0 . 1 . . . . A 592 TRP HE1 . 30959 2 168 . 1 . 1 14 14 TRP HE3 H 1 7.558 0 . 1 . . . . A 592 TRP HE3 . 30959 2 169 . 1 . 1 14 14 TRP HZ2 H 1 6.805 0 . 1 . . . . A 592 TRP HZ2 . 30959 2 170 . 1 . 1 14 14 TRP HZ3 H 1 6.611 0 . 1 . . . . A 592 TRP HZ3 . 30959 2 171 . 1 . 1 14 14 TRP HH2 H 1 6.714 0 . 1 . . . . A 592 TRP HH2 . 30959 2 172 . 1 . 1 14 14 TRP C C 13 176.749 0 . 1 . . . . A 592 TRP C . 30959 2 173 . 1 . 1 14 14 TRP CA C 13 58.69 0 . 1 . . . . A 592 TRP CA . 30959 2 174 . 1 . 1 14 14 TRP CB C 13 30.568 0 . 1 . . . . A 592 TRP CB . 30959 2 175 . 1 . 1 14 14 TRP CD1 C 13 128.857 0 . 1 . . . . A 592 TRP CD1 . 30959 2 176 . 1 . 1 14 14 TRP CE3 C 13 121.38 0 . 1 . . . . A 592 TRP CE3 . 30959 2 177 . 1 . 1 14 14 TRP CZ2 C 13 114.146 0 . 1 . . . . A 592 TRP CZ2 . 30959 2 178 . 1 . 1 14 14 TRP CZ3 C 13 121.453 0 . 1 . . . . A 592 TRP CZ3 . 30959 2 179 . 1 . 1 14 14 TRP CH2 C 13 123.628 0 . 1 . . . . A 592 TRP CH2 . 30959 2 180 . 1 . 1 14 14 TRP N N 15 121.576 0 . 1 . . . . A 592 TRP N . 30959 2 181 . 1 . 1 14 14 TRP NE1 N 15 129.219 0 . 1 . . . . A 592 TRP NE1 . 30959 2 182 . 1 . 1 15 15 LYS H H 1 9.024 0 . 1 . . . . A 593 LYS H . 30959 2 183 . 1 . 1 15 15 LYS HA H 1 4.595 0 . 1 . . . . A 593 LYS HA . 30959 2 184 . 1 . 1 15 15 LYS HB2 H 1 1.457 0 . 2 . . . . A 593 LYS HB2 . 30959 2 185 . 1 . 1 15 15 LYS HB3 H 1 1.757 0 . 2 . . . . A 593 LYS HB3 . 30959 2 186 . 1 . 1 15 15 LYS HG2 H 1 1.346 0 . 2 . . . . A 593 LYS HG2 . 30959 2 187 . 1 . 1 15 15 LYS HG3 H 1 1.463 0 . 2 . . . . A 593 LYS HG3 . 30959 2 188 . 1 . 1 15 15 LYS HD2 H 1 1.612 0 . 2 . . . . A 593 LYS HD2 . 30959 2 189 . 1 . 1 15 15 LYS HD3 H 1 1.712 0 . 2 . . . . A 593 LYS HD3 . 30959 2 190 . 1 . 1 15 15 LYS HE2 H 1 2.995 0 . 2 . . . . A 593 LYS HE2 . 30959 2 191 . 1 . 1 15 15 LYS HE3 H 1 2.995 0 . 2 . . . . A 593 LYS HE3 . 30959 2 192 . 1 . 1 15 15 LYS C C 13 176.364 0 . 1 . . . . A 593 LYS C . 30959 2 193 . 1 . 1 15 15 LYS CA C 13 57.731 0 . 1 . . . . A 593 LYS CA . 30959 2 194 . 1 . 1 15 15 LYS CB C 13 34.33 0 . 1 . . . . A 593 LYS CB . 30959 2 195 . 1 . 1 15 15 LYS CG C 13 25.093 0 . 1 . . . . A 593 LYS CG . 30959 2 196 . 1 . 1 15 15 LYS CD C 13 29.275 0 . 1 . . . . A 593 LYS CD . 30959 2 197 . 1 . 1 15 15 LYS CE C 13 42.075 0 . 1 . . . . A 593 LYS CE . 30959 2 198 . 1 . 1 15 15 LYS N N 15 126.081 0 . 1 . . . . A 593 LYS N . 30959 2 199 . 1 . 1 16 16 ARG H H 1 8.694 0 . 1 . . . . A 594 ARG H . 30959 2 200 . 1 . 1 16 16 ARG HA H 1 4.77 0 . 1 . . . . A 594 ARG HA . 30959 2 201 . 1 . 1 16 16 ARG HB2 H 1 1.744 0 . 2 . . . . A 594 ARG HB2 . 30959 2 202 . 1 . 1 16 16 ARG HB3 H 1 1.902 0 . 2 . . . . A 594 ARG HB3 . 30959 2 203 . 1 . 1 16 16 ARG HG2 H 1 1.703 0 . 2 . . . . A 594 ARG HG2 . 30959 2 204 . 1 . 1 16 16 ARG HG3 H 1 1.703 0 . 2 . . . . A 594 ARG HG3 . 30959 2 205 . 1 . 1 16 16 ARG HD2 H 1 3.2 0 . 2 . . . . A 594 ARG HD2 . 30959 2 206 . 1 . 1 16 16 ARG HD3 H 1 3.223 0 . 2 . . . . A 594 ARG HD3 . 30959 2 207 . 1 . 1 16 16 ARG HE H 1 7.517 0 . 1 . . . . A 594 ARG HE . 30959 2 208 . 1 . 1 16 16 ARG C C 13 175.319 0 . 1 . . . . A 594 ARG C . 30959 2 209 . 1 . 1 16 16 ARG CA C 13 55.966 0 . 1 . . . . A 594 ARG CA . 30959 2 210 . 1 . 1 16 16 ARG CB C 13 33.325 0 . 1 . . . . A 594 ARG CB . 30959 2 211 . 1 . 1 16 16 ARG CG C 13 27.051 0 . 1 . . . . A 594 ARG CG . 30959 2 212 . 1 . 1 16 16 ARG CD C 13 44.206 0 . 1 . . . . A 594 ARG CD . 30959 2 213 . 1 . 1 16 16 ARG CZ C 13 159.874 0 . 1 . . . . A 594 ARG CZ . 30959 2 214 . 1 . 1 16 16 ARG N N 15 120.245 0 . 1 . . . . A 594 ARG N . 30959 2 215 . 1 . 1 16 16 ARG NE N 15 84.636 0 . 1 . . . . A 594 ARG NE . 30959 2 216 . 1 . 1 17 17 VAL H H 1 7.959 0 . 1 . . . . A 595 VAL H . 30959 2 217 . 1 . 1 17 17 VAL HA H 1 3.54 0 . 1 . . . . A 595 VAL HA . 30959 2 218 . 1 . 1 17 17 VAL HB H 1 1.737 0 . 1 . . . . A 595 VAL HB . 30959 2 219 . 1 . 1 17 17 VAL HG11 H 1 0.619 0 . 2 . . . . A 595 VAL HG11 . 30959 2 220 . 1 . 1 17 17 VAL HG12 H 1 0.619 0 . 2 . . . . A 595 VAL HG12 . 30959 2 221 . 1 . 1 17 17 VAL HG13 H 1 0.619 0 . 2 . . . . A 595 VAL HG13 . 30959 2 222 . 1 . 1 17 17 VAL HG21 H 1 0.75 0 . 2 . . . . A 595 VAL HG21 . 30959 2 223 . 1 . 1 17 17 VAL HG22 H 1 0.75 0 . 2 . . . . A 595 VAL HG22 . 30959 2 224 . 1 . 1 17 17 VAL HG23 H 1 0.75 0 . 2 . . . . A 595 VAL HG23 . 30959 2 225 . 1 . 1 17 17 VAL C C 13 172.229 0 . 1 . . . . A 595 VAL C . 30959 2 226 . 1 . 1 17 17 VAL CA C 13 60.684 0 . 1 . . . . A 595 VAL CA . 30959 2 227 . 1 . 1 17 17 VAL CB C 13 29.287 0 . 1 . . . . A 595 VAL CB . 30959 2 228 . 1 . 1 17 17 VAL CG1 C 13 18.169 0 . 2 . . . . A 595 VAL CG1 . 30959 2 229 . 1 . 1 17 17 VAL CG2 C 13 20.63 0 . 2 . . . . A 595 VAL CG2 . 30959 2 230 . 1 . 1 17 17 VAL N N 15 119.299 0 . 1 . . . . A 595 VAL N . 30959 2 231 . 1 . 1 18 18 PRO HA H 1 4.503 0 . 1 . . . . A 596 PRO HA . 30959 2 232 . 1 . 1 18 18 PRO HB2 H 1 1.206 0 . 2 . . . . A 596 PRO HB2 . 30959 2 233 . 1 . 1 18 18 PRO HB3 H 1 1.467 0 . 2 . . . . A 596 PRO HB3 . 30959 2 234 . 1 . 1 18 18 PRO HG2 H 1 1.193 0 . 2 . . . . A 596 PRO HG2 . 30959 2 235 . 1 . 1 18 18 PRO HG3 H 1 1.69 0 . 2 . . . . A 596 PRO HG3 . 30959 2 236 . 1 . 1 18 18 PRO HD2 H 1 2.005 0 . 2 . . . . A 596 PRO HD2 . 30959 2 237 . 1 . 1 18 18 PRO HD3 H 1 2.569 0 . 2 . . . . A 596 PRO HD3 . 30959 2 238 . 1 . 1 18 18 PRO C C 13 174.681 0 . 1 . . . . A 596 PRO C . 30959 2 239 . 1 . 1 18 18 PRO CA C 13 63.346 0 . 1 . . . . A 596 PRO CA . 30959 2 240 . 1 . 1 18 18 PRO CB C 13 31.234 0 . 1 . . . . A 596 PRO CB . 30959 2 241 . 1 . 1 18 18 PRO CG C 13 27.75 0 . 1 . . . . A 596 PRO CG . 30959 2 242 . 1 . 1 18 18 PRO CD C 13 48.068 0 . 1 . . . . A 596 PRO CD . 30959 2 243 . 1 . 1 19 19 VAL H H 1 8.564 0 . 1 . . . . A 597 VAL H . 30959 2 244 . 1 . 1 19 19 VAL HA H 1 4.661 0 . 1 . . . . A 597 VAL HA . 30959 2 245 . 1 . 1 19 19 VAL HB H 1 2.161 0 . 1 . . . . A 597 VAL HB . 30959 2 246 . 1 . 1 19 19 VAL HG11 H 1 0.879 0 . 2 . . . . A 597 VAL HG11 . 30959 2 247 . 1 . 1 19 19 VAL HG12 H 1 0.879 0 . 2 . . . . A 597 VAL HG12 . 30959 2 248 . 1 . 1 19 19 VAL HG13 H 1 0.879 0 . 2 . . . . A 597 VAL HG13 . 30959 2 249 . 1 . 1 19 19 VAL HG21 H 1 1.049 0 . 2 . . . . A 597 VAL HG21 . 30959 2 250 . 1 . 1 19 19 VAL HG22 H 1 1.049 0 . 2 . . . . A 597 VAL HG22 . 30959 2 251 . 1 . 1 19 19 VAL HG23 H 1 1.049 0 . 2 . . . . A 597 VAL HG23 . 30959 2 252 . 1 . 1 19 19 VAL C C 13 172.919 0 . 1 . . . . A 597 VAL C . 30959 2 253 . 1 . 1 19 19 VAL CA C 13 59.757 0 . 1 . . . . A 597 VAL CA . 30959 2 254 . 1 . 1 19 19 VAL CB C 13 35.911 0 . 1 . . . . A 597 VAL CB . 30959 2 255 . 1 . 1 19 19 VAL CG1 C 13 20.448 0 . 2 . . . . A 597 VAL CG1 . 30959 2 256 . 1 . 1 19 19 VAL CG2 C 13 20.51 0 . 2 . . . . A 597 VAL CG2 . 30959 2 257 . 1 . 1 19 19 VAL N N 15 120.245 0 . 1 . . . . A 597 VAL N . 30959 2 258 . 1 . 1 20 20 ASP H H 1 8.44 0 . 1 . . . . A 598 ASP H . 30959 2 259 . 1 . 1 20 20 ASP HA H 1 4.815 0 . 1 . . . . A 598 ASP HA . 30959 2 260 . 1 . 1 20 20 ASP HB2 H 1 2.954 0 . 2 . . . . A 598 ASP HB2 . 30959 2 261 . 1 . 1 20 20 ASP HB3 H 1 2.954 0 . 2 . . . . A 598 ASP HB3 . 30959 2 262 . 1 . 1 20 20 ASP C C 13 177.822 0 . 1 . . . . A 598 ASP C . 30959 2 263 . 1 . 1 20 20 ASP CA C 13 54.865 0 . 1 . . . . A 598 ASP CA . 30959 2 264 . 1 . 1 20 20 ASP CB C 13 42.382 0 . 1 . . . . A 598 ASP CB . 30959 2 265 . 1 . 1 20 20 ASP N N 15 123.886 0 . 1 . . . . A 598 ASP N . 30959 2 266 . 1 . 1 21 21 SER H H 1 8.978 0 . 1 . . . . A 599 SER H . 30959 2 267 . 1 . 1 21 21 SER HA H 1 4.027 0 . 1 . . . . A 599 SER HA . 30959 2 268 . 1 . 1 21 21 SER HB2 H 1 3.522 0 . 2 . . . . A 599 SER HB2 . 30959 2 269 . 1 . 1 21 21 SER HB3 H 1 3.522 0 . 2 . . . . A 599 SER HB3 . 30959 2 270 . 1 . 1 21 21 SER HG H 1 5.649 0 . 1 . . . . A 599 SER HG . 30959 2 271 . 1 . 1 21 21 SER C C 13 175.504 0 . 1 . . . . A 599 SER C . 30959 2 272 . 1 . 1 21 21 SER CA C 13 58.584 0 . 1 . . . . A 599 SER CA . 30959 2 273 . 1 . 1 21 21 SER CB C 13 66.082 0 . 1 . . . . A 599 SER CB . 30959 2 274 . 1 . 1 21 21 SER N N 15 122.44 0 . 1 . . . . A 599 SER N . 30959 2 275 . 1 . 1 22 22 GLY H H 1 8.948 0 . 1 . . . . A 600 GLY H . 30959 2 276 . 1 . 1 22 22 GLY HA2 H 1 3.755 0 . 2 . . . . A 600 GLY HA2 . 30959 2 277 . 1 . 1 22 22 GLY HA3 H 1 4.522 0 . 2 . . . . A 600 GLY HA3 . 30959 2 278 . 1 . 1 22 22 GLY C C 13 174.262 0 . 1 . . . . A 600 GLY C . 30959 2 279 . 1 . 1 22 22 GLY CA C 13 45.214 0 . 1 . . . . A 600 GLY CA . 30959 2 280 . 1 . 1 22 22 GLY N N 15 110.859 0 . 1 . . . . A 600 GLY N . 30959 2 281 . 1 . 1 23 23 HIS H H 1 8.043 0 . 1 . . . . A 601 HIS H . 30959 2 282 . 1 . 1 23 23 HIS HA H 1 5.057 0 . 1 . . . . A 601 HIS HA . 30959 2 283 . 1 . 1 23 23 HIS HB2 H 1 2.931 0 . 2 . . . . A 601 HIS HB2 . 30959 2 284 . 1 . 1 23 23 HIS HB3 H 1 3.43 0 . 2 . . . . A 601 HIS HB3 . 30959 2 285 . 1 . 1 23 23 HIS HD2 H 1 7.094 0 . 1 . . . . A 601 HIS HD2 . 30959 2 286 . 1 . 1 23 23 HIS HE1 H 1 8.592 0 . 1 . . . . A 601 HIS HE1 . 30959 2 287 . 1 . 1 23 23 HIS C C 13 173.632 0 . 1 . . . . A 601 HIS C . 30959 2 288 . 1 . 1 23 23 HIS CA C 13 54.265 0 . 1 . . . . A 601 HIS CA . 30959 2 289 . 1 . 1 23 23 HIS CB C 13 26.715 0 . 1 . . . . A 601 HIS CB . 30959 2 290 . 1 . 1 23 23 HIS CD2 C 13 121.34 0 . 1 . . . . A 601 HIS CD2 . 30959 2 291 . 1 . 1 23 23 HIS CE1 C 13 135.406 0 . 1 . . . . A 601 HIS CE1 . 30959 2 292 . 1 . 1 23 23 HIS N N 15 116.939 0 . 1 . . . . A 601 HIS N . 30959 2 293 . 1 . 1 24 24 ASP H H 1 9.414 0 . 1 . . . . A 602 ASP H . 30959 2 294 . 1 . 1 24 24 ASP HA H 1 4.495 0 . 1 . . . . A 602 ASP HA . 30959 2 295 . 1 . 1 24 24 ASP HB2 H 1 2.821 0 . 2 . . . . A 602 ASP HB2 . 30959 2 296 . 1 . 1 24 24 ASP HB3 H 1 3.06 0 . 2 . . . . A 602 ASP HB3 . 30959 2 297 . 1 . 1 24 24 ASP C C 13 175.415 0 . 1 . . . . A 602 ASP C . 30959 2 298 . 1 . 1 24 24 ASP CA C 13 55.955 0 . 1 . . . . A 602 ASP CA . 30959 2 299 . 1 . 1 24 24 ASP CB C 13 38.726 0 . 1 . . . . A 602 ASP CB . 30959 2 300 . 1 . 1 24 24 ASP N N 15 116.711 0 . 1 . . . . A 602 ASP N . 30959 2 301 . 1 . 1 25 25 THR H H 1 7.13 0 . 1 . . . . A 603 THR H . 30959 2 302 . 1 . 1 25 25 THR HA H 1 4.912 0 . 1 . . . . A 603 THR HA . 30959 2 303 . 1 . 1 25 25 THR HB H 1 4.246 0 . 1 . . . . A 603 THR HB . 30959 2 304 . 1 . 1 25 25 THR HG21 H 1 1.182 0 . 1 . . . . A 603 THR HG21 . 30959 2 305 . 1 . 1 25 25 THR HG22 H 1 1.182 0 . 1 . . . . A 603 THR HG22 . 30959 2 306 . 1 . 1 25 25 THR HG23 H 1 1.182 0 . 1 . . . . A 603 THR HG23 . 30959 2 307 . 1 . 1 25 25 THR C C 13 172.233 0 . 1 . . . . A 603 THR C . 30959 2 308 . 1 . 1 25 25 THR CA C 13 59.169 0 . 1 . . . . A 603 THR CA . 30959 2 309 . 1 . 1 25 25 THR CB C 13 72.138 0 . 1 . . . . A 603 THR CB . 30959 2 310 . 1 . 1 25 25 THR CG2 C 13 22.75 0 . 1 . . . . A 603 THR CG2 . 30959 2 311 . 1 . 1 25 25 THR N N 15 105.528 0 . 1 . . . . A 603 THR N . 30959 2 312 . 1 . 1 26 26 VAL H H 1 9.273 0 . 1 . . . . A 604 VAL H . 30959 2 313 . 1 . 1 26 26 VAL HA H 1 4.463 0 . 1 . . . . A 604 VAL HA . 30959 2 314 . 1 . 1 26 26 VAL HB H 1 1.19 0 . 1 . . . . A 604 VAL HB . 30959 2 315 . 1 . 1 26 26 VAL HG11 H 1 -0.273 0 . 2 . . . . A 604 VAL HG11 . 30959 2 316 . 1 . 1 26 26 VAL HG12 H 1 -0.273 0 . 2 . . . . A 604 VAL HG12 . 30959 2 317 . 1 . 1 26 26 VAL HG13 H 1 -0.273 0 . 2 . . . . A 604 VAL HG13 . 30959 2 318 . 1 . 1 26 26 VAL HG21 H 1 0.179 0 . 2 . . . . A 604 VAL HG21 . 30959 2 319 . 1 . 1 26 26 VAL HG22 H 1 0.179 0 . 2 . . . . A 604 VAL HG22 . 30959 2 320 . 1 . 1 26 26 VAL HG23 H 1 0.179 0 . 2 . . . . A 604 VAL HG23 . 30959 2 321 . 1 . 1 26 26 VAL C C 13 175.189 0 . 1 . . . . A 604 VAL C . 30959 2 322 . 1 . 1 26 26 VAL CA C 13 61.211 0 . 1 . . . . A 604 VAL CA . 30959 2 323 . 1 . 1 26 26 VAL CB C 13 33.512 0 . 1 . . . . A 604 VAL CB . 30959 2 324 . 1 . 1 26 26 VAL CG1 C 13 20.811 0 . 2 . . . . A 604 VAL CG1 . 30959 2 325 . 1 . 1 26 26 VAL CG2 C 13 21.193 0 . 2 . . . . A 604 VAL CG2 . 30959 2 326 . 1 . 1 26 26 VAL N N 15 121.891 0 . 1 . . . . A 604 VAL N . 30959 2 327 . 1 . 1 27 27 VAL H H 1 8.56 0 . 1 . . . . A 605 VAL H . 30959 2 328 . 1 . 1 27 27 VAL HA H 1 5.238 0 . 1 . . . . A 605 VAL HA . 30959 2 329 . 1 . 1 27 27 VAL HB H 1 2.018 0 . 1 . . . . A 605 VAL HB . 30959 2 330 . 1 . 1 27 27 VAL HG11 H 1 0.743 0 . 2 . . . . A 605 VAL HG11 . 30959 2 331 . 1 . 1 27 27 VAL HG12 H 1 0.743 0 . 2 . . . . A 605 VAL HG12 . 30959 2 332 . 1 . 1 27 27 VAL HG13 H 1 0.743 0 . 2 . . . . A 605 VAL HG13 . 30959 2 333 . 1 . 1 27 27 VAL HG21 H 1 0.888 0 . 2 . . . . A 605 VAL HG21 . 30959 2 334 . 1 . 1 27 27 VAL HG22 H 1 0.888 0 . 2 . . . . A 605 VAL HG22 . 30959 2 335 . 1 . 1 27 27 VAL HG23 H 1 0.888 0 . 2 . . . . A 605 VAL HG23 . 30959 2 336 . 1 . 1 27 27 VAL C C 13 174.372 0 . 1 . . . . A 605 VAL C . 30959 2 337 . 1 . 1 27 27 VAL CA C 13 58.357 0 . 1 . . . . A 605 VAL CA . 30959 2 338 . 1 . 1 27 27 VAL CB C 13 35.318 0 . 1 . . . . A 605 VAL CB . 30959 2 339 . 1 . 1 27 27 VAL CG1 C 13 18.758 0 . 2 . . . . A 605 VAL CG1 . 30959 2 340 . 1 . 1 27 27 VAL CG2 C 13 22.697 0 . 2 . . . . A 605 VAL CG2 . 30959 2 341 . 1 . 1 27 27 VAL N N 15 118.597 0 . 1 . . . . A 605 VAL N . 30959 2 342 . 1 . 1 28 28 MET H H 1 8.068 0 . 1 . . . . A 606 MET H . 30959 2 343 . 1 . 1 28 28 MET HA H 1 4.465 0 . 1 . . . . A 606 MET HA . 30959 2 344 . 1 . 1 28 28 MET HB2 H 1 1.759 0 . 2 . . . . A 606 MET HB2 . 30959 2 345 . 1 . 1 28 28 MET HB3 H 1 2.478 0 . 2 . . . . A 606 MET HB3 . 30959 2 346 . 1 . 1 28 28 MET HG2 H 1 2.15 0 . 2 . . . . A 606 MET HG2 . 30959 2 347 . 1 . 1 28 28 MET HG3 H 1 2.551 0 . 2 . . . . A 606 MET HG3 . 30959 2 348 . 1 . 1 28 28 MET HE1 H 1 1.528 0 . 1 . . . . A 606 MET HE1 . 30959 2 349 . 1 . 1 28 28 MET HE2 H 1 1.528 0 . 1 . . . . A 606 MET HE2 . 30959 2 350 . 1 . 1 28 28 MET HE3 H 1 1.528 0 . 1 . . . . A 606 MET HE3 . 30959 2 351 . 1 . 1 28 28 MET C C 13 172.38 0 . 1 . . . . A 606 MET C . 30959 2 352 . 1 . 1 28 28 MET CA C 13 54.44 0 . 1 . . . . A 606 MET CA . 30959 2 353 . 1 . 1 28 28 MET CB C 13 34.611 0 . 1 . . . . A 606 MET CB . 30959 2 354 . 1 . 1 28 28 MET CG C 13 30.26 0 . 1 . . . . A 606 MET CG . 30959 2 355 . 1 . 1 28 28 MET CE C 13 16.525 0 . 1 . . . . A 606 MET CE . 30959 2 356 . 1 . 1 28 28 MET N N 15 114.82 0 . 1 . . . . A 606 MET N . 30959 2 357 . 1 . 1 29 29 GLU H H 1 9.503 0 . 1 . . . . A 607 GLU H . 30959 2 358 . 1 . 1 29 29 GLU HA H 1 5.712 0 . 1 . . . . A 607 GLU HA . 30959 2 359 . 1 . 1 29 29 GLU HB2 H 1 1.998 0 . 2 . . . . A 607 GLU HB2 . 30959 2 360 . 1 . 1 29 29 GLU HB3 H 1 2.149 0 . 2 . . . . A 607 GLU HB3 . 30959 2 361 . 1 . 1 29 29 GLU HG2 H 1 2.303 0 . 2 . . . . A 607 GLU HG2 . 30959 2 362 . 1 . 1 29 29 GLU HG3 H 1 2.405 0 . 2 . . . . A 607 GLU HG3 . 30959 2 363 . 1 . 1 29 29 GLU C C 13 176.72 0 . 1 . . . . A 607 GLU C . 30959 2 364 . 1 . 1 29 29 GLU CA C 13 54.954 0 . 1 . . . . A 607 GLU CA . 30959 2 365 . 1 . 1 29 29 GLU CB C 13 34.993 0 . 1 . . . . A 607 GLU CB . 30959 2 366 . 1 . 1 29 29 GLU CG C 13 37.289 0 . 1 . . . . A 607 GLU CG . 30959 2 367 . 1 . 1 29 29 GLU N N 15 117.459 0 . 1 . . . . A 607 GLU N . 30959 2 368 . 1 . 1 30 30 VAL H H 1 9.143 0 . 1 . . . . A 608 VAL H . 30959 2 369 . 1 . 1 30 30 VAL HA H 1 5.291 0 . 1 . . . . A 608 VAL HA . 30959 2 370 . 1 . 1 30 30 VAL HB H 1 2.424 0 . 1 . . . . A 608 VAL HB . 30959 2 371 . 1 . 1 30 30 VAL HG11 H 1 0.592 0 . 2 . . . . A 608 VAL HG11 . 30959 2 372 . 1 . 1 30 30 VAL HG12 H 1 0.592 0 . 2 . . . . A 608 VAL HG12 . 30959 2 373 . 1 . 1 30 30 VAL HG13 H 1 0.592 0 . 2 . . . . A 608 VAL HG13 . 30959 2 374 . 1 . 1 30 30 VAL HG21 H 1 0.856 0 . 2 . . . . A 608 VAL HG21 . 30959 2 375 . 1 . 1 30 30 VAL HG22 H 1 0.856 0 . 2 . . . . A 608 VAL HG22 . 30959 2 376 . 1 . 1 30 30 VAL HG23 H 1 0.856 0 . 2 . . . . A 608 VAL HG23 . 30959 2 377 . 1 . 1 30 30 VAL C C 13 174.166 0 . 1 . . . . A 608 VAL C . 30959 2 378 . 1 . 1 30 30 VAL CA C 13 59.443 0 . 1 . . . . A 608 VAL CA . 30959 2 379 . 1 . 1 30 30 VAL CB C 13 35.471 0 . 1 . . . . A 608 VAL CB . 30959 2 380 . 1 . 1 30 30 VAL CG1 C 13 18.214 0 . 2 . . . . A 608 VAL CG1 . 30959 2 381 . 1 . 1 30 30 VAL CG2 C 13 23.294 0 . 2 . . . . A 608 VAL CG2 . 30959 2 382 . 1 . 1 30 30 VAL N N 15 118.625 0 . 1 . . . . A 608 VAL N . 30959 2 383 . 1 . 1 31 31 SER H H 1 9.299 0 . 1 . . . . A 609 SER H . 30959 2 384 . 1 . 1 31 31 SER HA H 1 5.041 0 . 1 . . . . A 609 SER HA . 30959 2 385 . 1 . 1 31 31 SER HB2 H 1 3.671 0 . 2 . . . . A 609 SER HB2 . 30959 2 386 . 1 . 1 31 31 SER HB3 H 1 3.745 0 . 2 . . . . A 609 SER HB3 . 30959 2 387 . 1 . 1 31 31 SER C C 13 172.244 0 . 1 . . . . A 609 SER C . 30959 2 388 . 1 . 1 31 31 SER CA C 13 56.918 0 . 1 . . . . A 609 SER CA . 30959 2 389 . 1 . 1 31 31 SER CB C 13 65.623 0 . 1 . . . . A 609 SER CB . 30959 2 390 . 1 . 1 31 31 SER N N 15 116.465 0 . 1 . . . . A 609 SER N . 30959 2 391 . 1 . 1 32 32 TYR H H 1 8.813 0 . 1 . . . . A 610 TYR H . 30959 2 392 . 1 . 1 32 32 TYR HA H 1 5.277 0 . 1 . . . . A 610 TYR HA . 30959 2 393 . 1 . 1 32 32 TYR HB2 H 1 2.502 0 . 2 . . . . A 610 TYR HB2 . 30959 2 394 . 1 . 1 32 32 TYR HB3 H 1 2.633 0 . 2 . . . . A 610 TYR HB3 . 30959 2 395 . 1 . 1 32 32 TYR C C 13 177.009 0 . 1 . . . . A 610 TYR C . 30959 2 396 . 1 . 1 32 32 TYR CA C 13 55.892 0 . 1 . . . . A 610 TYR CA . 30959 2 397 . 1 . 1 32 32 TYR CB C 13 44.008 0 . 1 . . . . A 610 TYR CB . 30959 2 398 . 1 . 1 32 32 TYR N N 15 123.067 0 . 1 . . . . A 610 TYR N . 30959 2 399 . 1 . 1 33 33 THR H H 1 8.427 0 . 1 . . . . A 611 THR H . 30959 2 400 . 1 . 1 33 33 THR HA H 1 4.327 0 . 1 . . . . A 611 THR HA . 30959 2 401 . 1 . 1 33 33 THR HB H 1 4.407 0 . 1 . . . . A 611 THR HB . 30959 2 402 . 1 . 1 33 33 THR HG21 H 1 0.963 0 . 1 . . . . A 611 THR HG21 . 30959 2 403 . 1 . 1 33 33 THR HG22 H 1 0.963 0 . 1 . . . . A 611 THR HG22 . 30959 2 404 . 1 . 1 33 33 THR HG23 H 1 0.963 0 . 1 . . . . A 611 THR HG23 . 30959 2 405 . 1 . 1 33 33 THR C C 13 175.086 0 . 1 . . . . A 611 THR C . 30959 2 406 . 1 . 1 33 33 THR CA C 13 61.248 0 . 1 . . . . A 611 THR CA . 30959 2 407 . 1 . 1 33 33 THR CB C 13 68.331 0 . 1 . . . . A 611 THR CB . 30959 2 408 . 1 . 1 33 33 THR CG2 C 13 20.971 0 . 1 . . . . A 611 THR CG2 . 30959 2 409 . 1 . 1 33 33 THR N N 15 116.15 0 . 1 . . . . A 611 THR N . 30959 2 410 . 1 . 1 34 34 GLY H H 1 5.045 0 . 1 . . . . A 612 GLY H . 30959 2 411 . 1 . 1 34 34 GLY HA2 H 1 3.21 0 . 2 . . . . A 612 GLY HA2 . 30959 2 412 . 1 . 1 34 34 GLY HA3 H 1 4.106 0 . 2 . . . . A 612 GLY HA3 . 30959 2 413 . 1 . 1 34 34 GLY C C 13 172.585 0 . 1 . . . . A 612 GLY C . 30959 2 414 . 1 . 1 34 34 GLY CA C 13 44.8 0 . 1 . . . . A 612 GLY CA . 30959 2 415 . 1 . 1 34 34 GLY N N 15 105.941 0 . 1 . . . . A 612 GLY N . 30959 2 416 . 1 . 1 35 35 SER H H 1 8.659 0 . 1 . . . . A 613 SER H . 30959 2 417 . 1 . 1 35 35 SER HA H 1 4.553 0 . 1 . . . . A 613 SER HA . 30959 2 418 . 1 . 1 35 35 SER HB2 H 1 3.886 0 . 2 . . . . A 613 SER HB2 . 30959 2 419 . 1 . 1 35 35 SER HB3 H 1 3.996 0 . 2 . . . . A 613 SER HB3 . 30959 2 420 . 1 . 1 35 35 SER C C 13 174.446 0 . 1 . . . . A 613 SER C . 30959 2 421 . 1 . 1 35 35 SER CA C 13 58.57 0 . 1 . . . . A 613 SER CA . 30959 2 422 . 1 . 1 35 35 SER CB C 13 63.996 0 . 1 . . . . A 613 SER CB . 30959 2 423 . 1 . 1 35 35 SER N N 15 113.402 0 . 1 . . . . A 613 SER N . 30959 2 424 . 1 . 1 36 36 ASP H H 1 9.848 0 . 1 . . . . A 614 ASP H . 30959 2 425 . 1 . 1 36 36 ASP HA H 1 4.596 0 . 1 . . . . A 614 ASP HA . 30959 2 426 . 1 . 1 36 36 ASP HB2 H 1 2.472 0 . 2 . . . . A 614 ASP HB2 . 30959 2 427 . 1 . 1 36 36 ASP HB3 H 1 2.609 0 . 2 . . . . A 614 ASP HB3 . 30959 2 428 . 1 . 1 36 36 ASP C C 13 173.218 0 . 1 . . . . A 614 ASP C . 30959 2 429 . 1 . 1 36 36 ASP CA C 13 53.13 0 . 1 . . . . A 614 ASP CA . 30959 2 430 . 1 . 1 36 36 ASP CB C 13 37.875 0 . 1 . . . . A 614 ASP CB . 30959 2 431 . 1 . 1 36 36 ASP N N 15 124.348 0 . 1 . . . . A 614 ASP N . 30959 2 432 . 1 . 1 37 37 LYS H H 1 7.178 0 . 1 . . . . A 615 LYS H . 30959 2 433 . 1 . 1 37 37 LYS HA H 1 4.046 0 . 1 . . . . A 615 LYS HA . 30959 2 434 . 1 . 1 37 37 LYS HB2 H 1 1.253 0 . 2 . . . . A 615 LYS HB2 . 30959 2 435 . 1 . 1 37 37 LYS HB3 H 1 1.499 0 . 2 . . . . A 615 LYS HB3 . 30959 2 436 . 1 . 1 37 37 LYS HG2 H 1 1.249 0 . 2 . . . . A 615 LYS HG2 . 30959 2 437 . 1 . 1 37 37 LYS HG3 H 1 1.25 0 . 2 . . . . A 615 LYS HG3 . 30959 2 438 . 1 . 1 37 37 LYS HD2 H 1 1.731 0 . 2 . . . . A 615 LYS HD2 . 30959 2 439 . 1 . 1 37 37 LYS HD3 H 1 1.766 0 . 2 . . . . A 615 LYS HD3 . 30959 2 440 . 1 . 1 37 37 LYS HE2 H 1 3.006 0 . 2 . . . . A 615 LYS HE2 . 30959 2 441 . 1 . 1 37 37 LYS HE3 H 1 3.105 0 . 2 . . . . A 615 LYS HE3 . 30959 2 442 . 1 . 1 37 37 LYS C C 13 174.538 0 . 1 . . . . A 615 LYS C . 30959 2 443 . 1 . 1 37 37 LYS CA C 13 53.058 0 . 1 . . . . A 615 LYS CA . 30959 2 444 . 1 . 1 37 37 LYS CB C 13 33.969 0 . 1 . . . . A 615 LYS CB . 30959 2 445 . 1 . 1 37 37 LYS CG C 13 24.768 0 . 1 . . . . A 615 LYS CG . 30959 2 446 . 1 . 1 37 37 LYS CD C 13 29.437 0 . 1 . . . . A 615 LYS CD . 30959 2 447 . 1 . 1 37 37 LYS CE C 13 42.167 0 . 1 . . . . A 615 LYS CE . 30959 2 448 . 1 . 1 37 37 LYS N N 15 116.538 0 . 1 . . . . A 615 LYS N . 30959 2 449 . 1 . 1 38 38 PRO HA H 1 4.811 0 . 1 . . . . A 616 PRO HA . 30959 2 450 . 1 . 1 38 38 PRO HB2 H 1 1.151 0 . 2 . . . . A 616 PRO HB2 . 30959 2 451 . 1 . 1 38 38 PRO HB3 H 1 2.225 0 . 2 . . . . A 616 PRO HB3 . 30959 2 452 . 1 . 1 38 38 PRO HG2 H 1 1.45 0 . 2 . . . . A 616 PRO HG2 . 30959 2 453 . 1 . 1 38 38 PRO HG3 H 1 1.685 0 . 2 . . . . A 616 PRO HG3 . 30959 2 454 . 1 . 1 38 38 PRO HD2 H 1 3.375 0 . 2 . . . . A 616 PRO HD2 . 30959 2 455 . 1 . 1 38 38 PRO HD3 H 1 3.414 0 . 2 . . . . A 616 PRO HD3 . 30959 2 456 . 1 . 1 38 38 PRO C C 13 174.884 0 . 1 . . . . A 616 PRO C . 30959 2 457 . 1 . 1 38 38 PRO CA C 13 62.098 0 . 1 . . . . A 616 PRO CA . 30959 2 458 . 1 . 1 38 38 PRO CB C 13 35.6 0 . 1 . . . . A 616 PRO CB . 30959 2 459 . 1 . 1 38 38 PRO CG C 13 25.336 0 . 1 . . . . A 616 PRO CG . 30959 2 460 . 1 . 1 38 38 PRO CD C 13 50.587 0 . 1 . . . . A 616 PRO CD . 30959 2 461 . 1 . 1 39 39 CYS H H 1 8.486 0 . 1 . . . . A 617 CYS H . 30959 2 462 . 1 . 1 39 39 CYS HA H 1 4.978 0 . 1 . . . . A 617 CYS HA . 30959 2 463 . 1 . 1 39 39 CYS HB2 H 1 2.962 0 . 2 . . . . A 617 CYS HB2 . 30959 2 464 . 1 . 1 39 39 CYS HB3 H 1 3.283 0 . 2 . . . . A 617 CYS HB3 . 30959 2 465 . 1 . 1 39 39 CYS C C 13 172.556 0 . 1 . . . . A 617 CYS C . 30959 2 466 . 1 . 1 39 39 CYS CA C 13 54.32 0 . 1 . . . . A 617 CYS CA . 30959 2 467 . 1 . 1 39 39 CYS CB C 13 44.279 0 . 1 . . . . A 617 CYS CB . 30959 2 468 . 1 . 1 39 39 CYS N N 15 113.909 0 . 1 . . . . A 617 CYS N . 30959 2 469 . 1 . 1 40 40 ARG H H 1 9.111 0 . 1 . . . . A 618 ARG H . 30959 2 470 . 1 . 1 40 40 ARG HA H 1 4.488 0 . 1 . . . . A 618 ARG HA . 30959 2 471 . 1 . 1 40 40 ARG HB2 H 1 1.904 0 . 2 . . . . A 618 ARG HB2 . 30959 2 472 . 1 . 1 40 40 ARG HB3 H 1 1.904 0 . 2 . . . . A 618 ARG HB3 . 30959 2 473 . 1 . 1 40 40 ARG HG2 H 1 1.543 0 . 2 . . . . A 618 ARG HG2 . 30959 2 474 . 1 . 1 40 40 ARG HG3 H 1 1.615 0 . 2 . . . . A 618 ARG HG3 . 30959 2 475 . 1 . 1 40 40 ARG HD2 H 1 3.176 0 . 2 . . . . A 618 ARG HD2 . 30959 2 476 . 1 . 1 40 40 ARG HD3 H 1 3.176 0 . 2 . . . . A 618 ARG HD3 . 30959 2 477 . 1 . 1 40 40 ARG HE H 1 7.167 0 . 1 . . . . A 618 ARG HE . 30959 2 478 . 1 . 1 40 40 ARG C C 13 174.682 0 . 1 . . . . A 618 ARG C . 30959 2 479 . 1 . 1 40 40 ARG CA C 13 56.005 0 . 1 . . . . A 618 ARG CA . 30959 2 480 . 1 . 1 40 40 ARG CB C 13 31.778 0 . 1 . . . . A 618 ARG CB . 30959 2 481 . 1 . 1 40 40 ARG CG C 13 28.05 0 . 1 . . . . A 618 ARG CG . 30959 2 482 . 1 . 1 40 40 ARG CD C 13 43.523 0 . 1 . . . . A 618 ARG CD . 30959 2 483 . 1 . 1 40 40 ARG CZ C 13 159.456 0 . 1 . . . . A 618 ARG CZ . 30959 2 484 . 1 . 1 40 40 ARG N N 15 120.538 0 . 1 . . . . A 618 ARG N . 30959 2 485 . 1 . 1 40 40 ARG NE N 15 84.512 0 . 1 . . . . A 618 ARG NE . 30959 2 486 . 1 . 1 41 41 ILE H H 1 8.42 0 . 1 . . . . A 619 ILE H . 30959 2 487 . 1 . 1 41 41 ILE HA H 1 3.708 0 . 1 . . . . A 619 ILE HA . 30959 2 488 . 1 . 1 41 41 ILE HB H 1 1.465 0 . 1 . . . . A 619 ILE HB . 30959 2 489 . 1 . 1 41 41 ILE HG12 H 1 0.855 0 . 2 . . . . A 619 ILE HG12 . 30959 2 490 . 1 . 1 41 41 ILE HG13 H 1 1.635 0 . 2 . . . . A 619 ILE HG13 . 30959 2 491 . 1 . 1 41 41 ILE HG21 H 1 0.276 0 . 1 . . . . A 619 ILE HG21 . 30959 2 492 . 1 . 1 41 41 ILE HG22 H 1 0.276 0 . 1 . . . . A 619 ILE HG22 . 30959 2 493 . 1 . 1 41 41 ILE HG23 H 1 0.276 0 . 1 . . . . A 619 ILE HG23 . 30959 2 494 . 1 . 1 41 41 ILE HD11 H 1 0.592 0 . 1 . . . . A 619 ILE HD11 . 30959 2 495 . 1 . 1 41 41 ILE HD12 H 1 0.592 0 . 1 . . . . A 619 ILE HD12 . 30959 2 496 . 1 . 1 41 41 ILE HD13 H 1 0.592 0 . 1 . . . . A 619 ILE HD13 . 30959 2 497 . 1 . 1 41 41 ILE C C 13 174.181 0 . 1 . . . . A 619 ILE C . 30959 2 498 . 1 . 1 41 41 ILE CA C 13 60.529 0 . 1 . . . . A 619 ILE CA . 30959 2 499 . 1 . 1 41 41 ILE CB C 13 39.765 0 . 1 . . . . A 619 ILE CB . 30959 2 500 . 1 . 1 41 41 ILE CG1 C 13 29.269 0 . 1 . . . . A 619 ILE CG1 . 30959 2 501 . 1 . 1 41 41 ILE CG2 C 13 17.302 0 . 1 . . . . A 619 ILE CG2 . 30959 2 502 . 1 . 1 41 41 ILE CD1 C 13 13.718 0 . 1 . . . . A 619 ILE CD1 . 30959 2 503 . 1 . 1 41 41 ILE N N 15 126.531 0 . 1 . . . . A 619 ILE N . 30959 2 504 . 1 . 1 42 42 PRO HA H 1 4.722 0 . 1 . . . . A 620 PRO HA . 30959 2 505 . 1 . 1 42 42 PRO HB2 H 1 2.14 0 . 2 . . . . A 620 PRO HB2 . 30959 2 506 . 1 . 1 42 42 PRO HB3 H 1 2.143 0 . 2 . . . . A 620 PRO HB3 . 30959 2 507 . 1 . 1 42 42 PRO HG2 H 1 1.982 0 . 2 . . . . A 620 PRO HG2 . 30959 2 508 . 1 . 1 42 42 PRO HG3 H 1 2.126 0 . 2 . . . . A 620 PRO HG3 . 30959 2 509 . 1 . 1 42 42 PRO HD2 H 1 3.402 0 . 2 . . . . A 620 PRO HD2 . 30959 2 510 . 1 . 1 42 42 PRO HD3 H 1 4.078 0 . 2 . . . . A 620 PRO HD3 . 30959 2 511 . 1 . 1 42 42 PRO C C 13 174.214 0 . 1 . . . . A 620 PRO C . 30959 2 512 . 1 . 1 42 42 PRO CA C 13 61.898 0 . 1 . . . . A 620 PRO CA . 30959 2 513 . 1 . 1 42 42 PRO CB C 13 29.757 0 . 1 . . . . A 620 PRO CB . 30959 2 514 . 1 . 1 42 42 PRO CG C 13 27.044 0 . 1 . . . . A 620 PRO CG . 30959 2 515 . 1 . 1 42 42 PRO CD C 13 50.659 0 . 1 . . . . A 620 PRO CD . 30959 2 516 . 1 . 1 43 43 VAL H H 1 7.938 0 . 1 . . . . A 621 VAL H . 30959 2 517 . 1 . 1 43 43 VAL HA H 1 5.237 0 . 1 . . . . A 621 VAL HA . 30959 2 518 . 1 . 1 43 43 VAL HB H 1 1.779 0 . 1 . . . . A 621 VAL HB . 30959 2 519 . 1 . 1 43 43 VAL HG11 H 1 0.835 0 . 2 . . . . A 621 VAL HG11 . 30959 2 520 . 1 . 1 43 43 VAL HG12 H 1 0.835 0 . 2 . . . . A 621 VAL HG12 . 30959 2 521 . 1 . 1 43 43 VAL HG13 H 1 0.835 0 . 2 . . . . A 621 VAL HG13 . 30959 2 522 . 1 . 1 43 43 VAL HG21 H 1 0.853 0 . 2 . . . . A 621 VAL HG21 . 30959 2 523 . 1 . 1 43 43 VAL HG22 H 1 0.853 0 . 2 . . . . A 621 VAL HG22 . 30959 2 524 . 1 . 1 43 43 VAL HG23 H 1 0.853 0 . 2 . . . . A 621 VAL HG23 . 30959 2 525 . 1 . 1 43 43 VAL C C 13 173.503 0 . 1 . . . . A 621 VAL C . 30959 2 526 . 1 . 1 43 43 VAL CA C 13 59.101 0 . 1 . . . . A 621 VAL CA . 30959 2 527 . 1 . 1 43 43 VAL CB C 13 33.907 0 . 1 . . . . A 621 VAL CB . 30959 2 528 . 1 . 1 43 43 VAL CG1 C 13 20.391 0 . 2 . . . . A 621 VAL CG1 . 30959 2 529 . 1 . 1 43 43 VAL CG2 C 13 22.512 0 . 2 . . . . A 621 VAL CG2 . 30959 2 530 . 1 . 1 43 43 VAL N N 15 124.357 0 . 1 . . . . A 621 VAL N . 30959 2 531 . 1 . 1 44 44 ARG H H 1 9.136 0 . 1 . . . . A 622 ARG H . 30959 2 532 . 1 . 1 44 44 ARG HA H 1 4.622 0 . 1 . . . . A 622 ARG HA . 30959 2 533 . 1 . 1 44 44 ARG HB2 H 1 1.746 0 . 2 . . . . A 622 ARG HB2 . 30959 2 534 . 1 . 1 44 44 ARG HB3 H 1 1.909 0 . 2 . . . . A 622 ARG HB3 . 30959 2 535 . 1 . 1 44 44 ARG HG2 H 1 1.272 0 . 2 . . . . A 622 ARG HG2 . 30959 2 536 . 1 . 1 44 44 ARG HG3 H 1 1.644 0 . 2 . . . . A 622 ARG HG3 . 30959 2 537 . 1 . 1 44 44 ARG HD2 H 1 3.017 0 . 2 . . . . A 622 ARG HD2 . 30959 2 538 . 1 . 1 44 44 ARG HD3 H 1 3.017 0 . 2 . . . . A 622 ARG HD3 . 30959 2 539 . 1 . 1 44 44 ARG HE H 1 6.883 0 . 1 . . . . A 622 ARG HE . 30959 2 540 . 1 . 1 44 44 ARG C C 13 172.454 0 . 1 . . . . A 622 ARG C . 30959 2 541 . 1 . 1 44 44 ARG CA C 13 54.762 0 . 1 . . . . A 622 ARG CA . 30959 2 542 . 1 . 1 44 44 ARG CB C 13 33.01 0 . 1 . . . . A 622 ARG CB . 30959 2 543 . 1 . 1 44 44 ARG CG C 13 26.981 0 . 1 . . . . A 622 ARG CG . 30959 2 544 . 1 . 1 44 44 ARG CD C 13 43.308 0 . 1 . . . . A 622 ARG CD . 30959 2 545 . 1 . 1 44 44 ARG CZ C 13 159.008 0 . 1 . . . . A 622 ARG CZ . 30959 2 546 . 1 . 1 44 44 ARG N N 15 124.254 0 . 1 . . . . A 622 ARG N . 30959 2 547 . 1 . 1 44 44 ARG NE N 15 83.984 0 . 1 . . . . A 622 ARG NE . 30959 2 548 . 1 . 1 45 45 ALA H H 1 8.541 0 . 1 . . . . A 623 ALA H . 30959 2 549 . 1 . 1 45 45 ALA HA H 1 5.649 0 . 1 . . . . A 623 ALA HA . 30959 2 550 . 1 . 1 45 45 ALA HB1 H 1 1.249 0 . 1 . . . . A 623 ALA HB1 . 30959 2 551 . 1 . 1 45 45 ALA HB2 H 1 1.249 0 . 1 . . . . A 623 ALA HB2 . 30959 2 552 . 1 . 1 45 45 ALA HB3 H 1 1.249 0 . 1 . . . . A 623 ALA HB3 . 30959 2 553 . 1 . 1 45 45 ALA C C 13 175.319 0 . 1 . . . . A 623 ALA C . 30959 2 554 . 1 . 1 45 45 ALA CA C 13 51.88 0 . 1 . . . . A 623 ALA CA . 30959 2 555 . 1 . 1 45 45 ALA CB C 13 24.709 0 . 1 . . . . A 623 ALA CB . 30959 2 556 . 1 . 1 45 45 ALA N N 15 119.208 0 . 1 . . . . A 623 ALA N . 30959 2 557 . 1 . 1 46 46 VAL H H 1 9.121 0 . 1 . . . . A 624 VAL H . 30959 2 558 . 1 . 1 46 46 VAL HA H 1 5.209 0 . 1 . . . . A 624 VAL HA . 30959 2 559 . 1 . 1 46 46 VAL HB H 1 2.532 0 . 1 . . . . A 624 VAL HB . 30959 2 560 . 1 . 1 46 46 VAL HG11 H 1 0.966 0 . 2 . . . . A 624 VAL HG11 . 30959 2 561 . 1 . 1 46 46 VAL HG12 H 1 0.966 0 . 2 . . . . A 624 VAL HG12 . 30959 2 562 . 1 . 1 46 46 VAL HG13 H 1 0.966 0 . 2 . . . . A 624 VAL HG13 . 30959 2 563 . 1 . 1 46 46 VAL HG21 H 1 1.005 0 . 2 . . . . A 624 VAL HG21 . 30959 2 564 . 1 . 1 46 46 VAL HG22 H 1 1.005 0 . 2 . . . . A 624 VAL HG22 . 30959 2 565 . 1 . 1 46 46 VAL HG23 H 1 1.005 0 . 2 . . . . A 624 VAL HG23 . 30959 2 566 . 1 . 1 46 46 VAL C C 13 174.611 0 . 1 . . . . A 624 VAL C . 30959 2 567 . 1 . 1 46 46 VAL CA C 13 58.836 0 . 1 . . . . A 624 VAL CA . 30959 2 568 . 1 . 1 46 46 VAL CB C 13 34.789 0 . 1 . . . . A 624 VAL CB . 30959 2 569 . 1 . 1 46 46 VAL CG1 C 13 20.144 0 . 2 . . . . A 624 VAL CG1 . 30959 2 570 . 1 . 1 46 46 VAL CG2 C 13 21.34 0 . 2 . . . . A 624 VAL CG2 . 30959 2 571 . 1 . 1 46 46 VAL N N 15 113.426 0 . 1 . . . . A 624 VAL N . 30959 2 572 . 1 . 1 47 47 ALA H H 1 9.448 0 . 1 . . . . A 625 ALA H . 30959 2 573 . 1 . 1 47 47 ALA HA H 1 4.932 0 . 1 . . . . A 625 ALA HA . 30959 2 574 . 1 . 1 47 47 ALA HB1 H 1 1.398 0 . 1 . . . . A 625 ALA HB1 . 30959 2 575 . 1 . 1 47 47 ALA HB2 H 1 1.398 0 . 1 . . . . A 625 ALA HB2 . 30959 2 576 . 1 . 1 47 47 ALA HB3 H 1 1.398 0 . 1 . . . . A 625 ALA HB3 . 30959 2 577 . 1 . 1 47 47 ALA C C 13 178.712 0 . 1 . . . . A 625 ALA C . 30959 2 578 . 1 . 1 47 47 ALA CA C 13 51.51 0 . 1 . . . . A 625 ALA CA . 30959 2 579 . 1 . 1 47 47 ALA CB C 13 19.938 0 . 1 . . . . A 625 ALA CB . 30959 2 580 . 1 . 1 47 47 ALA N N 15 126.804 0 . 1 . . . . A 625 ALA N . 30959 2 581 . 1 . 1 48 48 HIS H H 1 8.757 0 . 1 . . . . A 626 HIS H . 30959 2 582 . 1 . 1 48 48 HIS HA H 1 4.153 0 . 1 . . . . A 626 HIS HA . 30959 2 583 . 1 . 1 48 48 HIS HB2 H 1 3.104 0 . 2 . . . . A 626 HIS HB2 . 30959 2 584 . 1 . 1 48 48 HIS HB3 H 1 3.225 0 . 2 . . . . A 626 HIS HB3 . 30959 2 585 . 1 . 1 48 48 HIS HD2 H 1 7.308 0 . 1 . . . . A 626 HIS HD2 . 30959 2 586 . 1 . 1 48 48 HIS HE1 H 1 8.528 0 . 1 . . . . A 626 HIS HE1 . 30959 2 587 . 1 . 1 48 48 HIS C C 13 175.972 0 . 1 . . . . A 626 HIS C . 30959 2 588 . 1 . 1 48 48 HIS CA C 13 57.674 0 . 1 . . . . A 626 HIS CA . 30959 2 589 . 1 . 1 48 48 HIS CB C 13 28.508 0 . 1 . . . . A 626 HIS CB . 30959 2 590 . 1 . 1 48 48 HIS CD2 C 13 119.763 0 . 1 . . . . A 626 HIS CD2 . 30959 2 591 . 1 . 1 48 48 HIS CE1 C 13 136.538 0 . 1 . . . . A 626 HIS CE1 . 30959 2 592 . 1 . 1 48 48 HIS N N 15 119.91 0 . 1 . . . . A 626 HIS N . 30959 2 593 . 1 . 1 49 49 GLY H H 1 8.836 0 . 1 . . . . A 627 GLY H . 30959 2 594 . 1 . 1 49 49 GLY HA2 H 1 3.733 0 . 2 . . . . A 627 GLY HA2 . 30959 2 595 . 1 . 1 49 49 GLY HA3 H 1 4.144 0 . 2 . . . . A 627 GLY HA3 . 30959 2 596 . 1 . 1 49 49 GLY C C 13 174.285 0 . 1 . . . . A 627 GLY C . 30959 2 597 . 1 . 1 49 49 GLY CA C 13 45.213 0 . 1 . . . . A 627 GLY CA . 30959 2 598 . 1 . 1 49 49 GLY N N 15 111.39 0 . 1 . . . . A 627 GLY N . 30959 2 599 . 1 . 1 50 50 VAL H H 1 7.943 0 . 1 . . . . A 628 VAL H . 30959 2 600 . 1 . 1 50 50 VAL HA H 1 4.656 0 . 1 . . . . A 628 VAL HA . 30959 2 601 . 1 . 1 50 50 VAL HB H 1 2.2 0 . 1 . . . . A 628 VAL HB . 30959 2 602 . 1 . 1 50 50 VAL HG11 H 1 0.906 0 . 2 . . . . A 628 VAL HG11 . 30959 2 603 . 1 . 1 50 50 VAL HG12 H 1 0.906 0 . 2 . . . . A 628 VAL HG12 . 30959 2 604 . 1 . 1 50 50 VAL HG13 H 1 0.906 0 . 2 . . . . A 628 VAL HG13 . 30959 2 605 . 1 . 1 50 50 VAL HG21 H 1 1.054 0 . 2 . . . . A 628 VAL HG21 . 30959 2 606 . 1 . 1 50 50 VAL HG22 H 1 1.054 0 . 2 . . . . A 628 VAL HG22 . 30959 2 607 . 1 . 1 50 50 VAL HG23 H 1 1.054 0 . 2 . . . . A 628 VAL HG23 . 30959 2 608 . 1 . 1 50 50 VAL C C 13 174.449 0 . 1 . . . . A 628 VAL C . 30959 2 609 . 1 . 1 50 50 VAL CA C 13 59.71 0 . 1 . . . . A 628 VAL CA . 30959 2 610 . 1 . 1 50 50 VAL CB C 13 32.202 0 . 1 . . . . A 628 VAL CB . 30959 2 611 . 1 . 1 50 50 VAL CG1 C 13 19.97 0 . 2 . . . . A 628 VAL CG1 . 30959 2 612 . 1 . 1 50 50 VAL CG2 C 13 22.314 0 . 2 . . . . A 628 VAL CG2 . 30959 2 613 . 1 . 1 50 50 VAL N N 15 120.244 0 . 1 . . . . A 628 VAL N . 30959 2 614 . 1 . 1 51 51 PRO HA H 1 4.446 0 . 1 . . . . A 629 PRO HA . 30959 2 615 . 1 . 1 51 51 PRO HB2 H 1 2.069 0 . 2 . . . . A 629 PRO HB2 . 30959 2 616 . 1 . 1 51 51 PRO HB3 H 1 2.35 0 . 2 . . . . A 629 PRO HB3 . 30959 2 617 . 1 . 1 51 51 PRO HG2 H 1 1.962 0 . 2 . . . . A 629 PRO HG2 . 30959 2 618 . 1 . 1 51 51 PRO HG3 H 1 2.056 0 . 2 . . . . A 629 PRO HG3 . 30959 2 619 . 1 . 1 51 51 PRO HD2 H 1 3.527 0 . 2 . . . . A 629 PRO HD2 . 30959 2 620 . 1 . 1 51 51 PRO HD3 H 1 3.883 0 . 2 . . . . A 629 PRO HD3 . 30959 2 621 . 1 . 1 51 51 PRO C C 13 177.495 0 . 1 . . . . A 629 PRO C . 30959 2 622 . 1 . 1 51 51 PRO CA C 13 64.749 0 . 1 . . . . A 629 PRO CA . 30959 2 623 . 1 . 1 51 51 PRO CB C 13 32.44 0 . 1 . . . . A 629 PRO CB . 30959 2 624 . 1 . 1 51 51 PRO CG C 13 27.212 0 . 1 . . . . A 629 PRO CG . 30959 2 625 . 1 . 1 51 51 PRO CD C 13 50.766 0 . 1 . . . . A 629 PRO CD . 30959 2 626 . 1 . 1 52 52 THR H H 1 7.496 0 . 1 . . . . A 630 THR H . 30959 2 627 . 1 . 1 52 52 THR HA H 1 4.245 0 . 1 . . . . A 630 THR HA . 30959 2 628 . 1 . 1 52 52 THR HB H 1 4.45 0 . 1 . . . . A 630 THR HB . 30959 2 629 . 1 . 1 52 52 THR HG21 H 1 1.216 0 . 1 . . . . A 630 THR HG21 . 30959 2 630 . 1 . 1 52 52 THR HG22 H 1 1.216 0 . 1 . . . . A 630 THR HG22 . 30959 2 631 . 1 . 1 52 52 THR HG23 H 1 1.216 0 . 1 . . . . A 630 THR HG23 . 30959 2 632 . 1 . 1 52 52 THR C C 13 174.522 0 . 1 . . . . A 630 THR C . 30959 2 633 . 1 . 1 52 52 THR CA C 13 62.679 0 . 1 . . . . A 630 THR CA . 30959 2 634 . 1 . 1 52 52 THR CB C 13 69.143 0 . 1 . . . . A 630 THR CB . 30959 2 635 . 1 . 1 52 52 THR CG2 C 13 22.432 0 . 1 . . . . A 630 THR CG2 . 30959 2 636 . 1 . 1 52 52 THR N N 15 106.179 0 . 1 . . . . A 630 THR N . 30959 2 637 . 1 . 1 53 53 ILE H H 1 6.861 0 . 1 . . . . A 631 ILE H . 30959 2 638 . 1 . 1 53 53 ILE HA H 1 4.385 0 . 1 . . . . A 631 ILE HA . 30959 2 639 . 1 . 1 53 53 ILE HB H 1 1.857 0 . 1 . . . . A 631 ILE HB . 30959 2 640 . 1 . 1 53 53 ILE HG12 H 1 1.11 0 . 2 . . . . A 631 ILE HG12 . 30959 2 641 . 1 . 1 53 53 ILE HG13 H 1 1.472 0 . 2 . . . . A 631 ILE HG13 . 30959 2 642 . 1 . 1 53 53 ILE HG21 H 1 0.854 0 . 1 . . . . A 631 ILE HG21 . 30959 2 643 . 1 . 1 53 53 ILE HG22 H 1 0.854 0 . 1 . . . . A 631 ILE HG22 . 30959 2 644 . 1 . 1 53 53 ILE HG23 H 1 0.854 0 . 1 . . . . A 631 ILE HG23 . 30959 2 645 . 1 . 1 53 53 ILE HD11 H 1 0.829 0 . 1 . . . . A 631 ILE HD11 . 30959 2 646 . 1 . 1 53 53 ILE HD12 H 1 0.829 0 . 1 . . . . A 631 ILE HD12 . 30959 2 647 . 1 . 1 53 53 ILE HD13 H 1 0.829 0 . 1 . . . . A 631 ILE HD13 . 30959 2 648 . 1 . 1 53 53 ILE C C 13 175.114 0 . 1 . . . . A 631 ILE C . 30959 2 649 . 1 . 1 53 53 ILE CA C 13 60.105 0 . 1 . . . . A 631 ILE CA . 30959 2 650 . 1 . 1 53 53 ILE CB C 13 39.774 0 . 1 . . . . A 631 ILE CB . 30959 2 651 . 1 . 1 53 53 ILE CG1 C 13 26.979 0 . 1 . . . . A 631 ILE CG1 . 30959 2 652 . 1 . 1 53 53 ILE CG2 C 13 16.839 0 . 1 . . . . A 631 ILE CG2 . 30959 2 653 . 1 . 1 53 53 ILE CD1 C 13 11.967 0 . 1 . . . . A 631 ILE CD1 . 30959 2 654 . 1 . 1 53 53 ILE N N 15 120.799 0 . 1 . . . . A 631 ILE N . 30959 2 655 . 1 . 1 54 54 ASN H H 1 8.852 0 . 1 . . . . A 632 ASN H . 30959 2 656 . 1 . 1 54 54 ASN HA H 1 5.469 0 . 1 . . . . A 632 ASN HA . 30959 2 657 . 1 . 1 54 54 ASN HB2 H 1 2.919 0 . 2 . . . . A 632 ASN HB2 . 30959 2 658 . 1 . 1 54 54 ASN HB3 H 1 3.069 0 . 2 . . . . A 632 ASN HB3 . 30959 2 659 . 1 . 1 54 54 ASN HD21 H 1 7.328 0 . 1 . . . . A 632 ASN HD21 . 30959 2 660 . 1 . 1 54 54 ASN HD22 H 1 7.729 0 . 1 . . . . A 632 ASN HD22 . 30959 2 661 . 1 . 1 54 54 ASN C C 13 176.595 0 . 1 . . . . A 632 ASN C . 30959 2 662 . 1 . 1 54 54 ASN CA C 13 52.51 0 . 1 . . . . A 632 ASN CA . 30959 2 663 . 1 . 1 54 54 ASN CB C 13 38.723 0 . 1 . . . . A 632 ASN CB . 30959 2 664 . 1 . 1 54 54 ASN CG C 13 176.647 0 . 1 . . . . A 632 ASN CG . 30959 2 665 . 1 . 1 54 54 ASN N N 15 125.934 0 . 1 . . . . A 632 ASN N . 30959 2 666 . 1 . 1 54 54 ASN ND2 N 15 113.5575 0.001499999648 . 1 . . . . A 632 ASN ND2 . 30959 2 667 . 1 . 1 55 55 VAL H H 1 9.061 0 . 1 . . . . A 633 VAL H . 30959 2 668 . 1 . 1 55 55 VAL HA H 1 4.507 0 . 1 . . . . A 633 VAL HA . 30959 2 669 . 1 . 1 55 55 VAL HB H 1 2.423 0 . 1 . . . . A 633 VAL HB . 30959 2 670 . 1 . 1 55 55 VAL HG11 H 1 0.629 0 . 2 . . . . A 633 VAL HG11 . 30959 2 671 . 1 . 1 55 55 VAL HG12 H 1 0.629 0 . 2 . . . . A 633 VAL HG12 . 30959 2 672 . 1 . 1 55 55 VAL HG13 H 1 0.629 0 . 2 . . . . A 633 VAL HG13 . 30959 2 673 . 1 . 1 55 55 VAL HG21 H 1 1.017 0 . 2 . . . . A 633 VAL HG21 . 30959 2 674 . 1 . 1 55 55 VAL HG22 H 1 1.017 0 . 2 . . . . A 633 VAL HG22 . 30959 2 675 . 1 . 1 55 55 VAL HG23 H 1 1.017 0 . 2 . . . . A 633 VAL HG23 . 30959 2 676 . 1 . 1 55 55 VAL C C 13 176.067 0 . 1 . . . . A 633 VAL C . 30959 2 677 . 1 . 1 55 55 VAL CA C 13 60.348 0 . 1 . . . . A 633 VAL CA . 30959 2 678 . 1 . 1 55 55 VAL CB C 13 32.115 0 . 1 . . . . A 633 VAL CB . 30959 2 679 . 1 . 1 55 55 VAL CG1 C 13 17.823 0 . 2 . . . . A 633 VAL CG1 . 30959 2 680 . 1 . 1 55 55 VAL CG2 C 13 21.672 0 . 2 . . . . A 633 VAL CG2 . 30959 2 681 . 1 . 1 55 55 VAL N N 15 119.532 0 . 1 . . . . A 633 VAL N . 30959 2 682 . 1 . 1 56 56 ALA H H 1 7.784 0 . 1 . . . . A 634 ALA H . 30959 2 683 . 1 . 1 56 56 ALA HA H 1 4.159 0 . 1 . . . . A 634 ALA HA . 30959 2 684 . 1 . 1 56 56 ALA HB1 H 1 1.341 0 . 1 . . . . A 634 ALA HB1 . 30959 2 685 . 1 . 1 56 56 ALA HB2 H 1 1.341 0 . 1 . . . . A 634 ALA HB2 . 30959 2 686 . 1 . 1 56 56 ALA HB3 H 1 1.341 0 . 1 . . . . A 634 ALA HB3 . 30959 2 687 . 1 . 1 56 56 ALA C C 13 177.233 0 . 1 . . . . A 634 ALA C . 30959 2 688 . 1 . 1 56 56 ALA CA C 13 53.21 0 . 1 . . . . A 634 ALA CA . 30959 2 689 . 1 . 1 56 56 ALA CB C 13 19.187 0 . 1 . . . . A 634 ALA CB . 30959 2 690 . 1 . 1 56 56 ALA N N 15 122.464 0 . 1 . . . . A 634 ALA N . 30959 2 691 . 1 . 1 57 57 MET H H 1 8.251 0 . 1 . . . . A 635 MET H . 30959 2 692 . 1 . 1 57 57 MET HA H 1 4.727 0 . 1 . . . . A 635 MET HA . 30959 2 693 . 1 . 1 57 57 MET HB2 H 1 2.043 0 . 2 . . . . A 635 MET HB2 . 30959 2 694 . 1 . 1 57 57 MET HB3 H 1 2.133 0 . 2 . . . . A 635 MET HB3 . 30959 2 695 . 1 . 1 57 57 MET HG2 H 1 2.467 0 . 2 . . . . A 635 MET HG2 . 30959 2 696 . 1 . 1 57 57 MET HG3 H 1 2.477 0 . 2 . . . . A 635 MET HG3 . 30959 2 697 . 1 . 1 57 57 MET HE1 H 1 2.008 0 . 1 . . . . A 635 MET HE1 . 30959 2 698 . 1 . 1 57 57 MET HE2 H 1 2.008 0 . 1 . . . . A 635 MET HE2 . 30959 2 699 . 1 . 1 57 57 MET HE3 H 1 2.008 0 . 1 . . . . A 635 MET HE3 . 30959 2 700 . 1 . 1 57 57 MET C C 13 175.886 0 . 1 . . . . A 635 MET C . 30959 2 701 . 1 . 1 57 57 MET CA C 13 54.285 0 . 1 . . . . A 635 MET CA . 30959 2 702 . 1 . 1 57 57 MET CB C 13 32.727 0 . 1 . . . . A 635 MET CB . 30959 2 703 . 1 . 1 57 57 MET CG C 13 31.882 0 . 1 . . . . A 635 MET CG . 30959 2 704 . 1 . 1 57 57 MET CE C 13 17.055 0 . 1 . . . . A 635 MET CE . 30959 2 705 . 1 . 1 57 57 MET N N 15 124.478 0 . 1 . . . . A 635 MET N . 30959 2 706 . 1 . 1 58 58 LEU H H 1 8.879 0 . 1 . . . . A 636 LEU H . 30959 2 707 . 1 . 1 58 58 LEU HA H 1 4.221 0 . 1 . . . . A 636 LEU HA . 30959 2 708 . 1 . 1 58 58 LEU HB2 H 1 1.566 0 . 2 . . . . A 636 LEU HB2 . 30959 2 709 . 1 . 1 58 58 LEU HB3 H 1 1.794 0 . 2 . . . . A 636 LEU HB3 . 30959 2 710 . 1 . 1 58 58 LEU HG H 1 1.739 0 . 1 . . . . A 636 LEU HG . 30959 2 711 . 1 . 1 58 58 LEU HD11 H 1 0.767 0 . 2 . . . . A 636 LEU HD11 . 30959 2 712 . 1 . 1 58 58 LEU HD12 H 1 0.767 0 . 2 . . . . A 636 LEU HD12 . 30959 2 713 . 1 . 1 58 58 LEU HD13 H 1 0.767 0 . 2 . . . . A 636 LEU HD13 . 30959 2 714 . 1 . 1 58 58 LEU HD21 H 1 0.975 0 . 2 . . . . A 636 LEU HD21 . 30959 2 715 . 1 . 1 58 58 LEU HD22 H 1 0.975 0 . 2 . . . . A 636 LEU HD22 . 30959 2 716 . 1 . 1 58 58 LEU HD23 H 1 0.975 0 . 2 . . . . A 636 LEU HD23 . 30959 2 717 . 1 . 1 58 58 LEU C C 13 176.44 0 . 1 . . . . A 636 LEU C . 30959 2 718 . 1 . 1 58 58 LEU CA C 13 55.914 0 . 1 . . . . A 636 LEU CA . 30959 2 719 . 1 . 1 58 58 LEU CB C 13 41.071 0 . 1 . . . . A 636 LEU CB . 30959 2 720 . 1 . 1 58 58 LEU CG C 13 27.413 0 . 1 . . . . A 636 LEU CG . 30959 2 721 . 1 . 1 58 58 LEU CD1 C 13 23.631 0 . 2 . . . . A 636 LEU CD1 . 30959 2 722 . 1 . 1 58 58 LEU CD2 C 13 25.72 0 . 2 . . . . A 636 LEU CD2 . 30959 2 723 . 1 . 1 58 58 LEU N N 15 125.857 0 . 1 . . . . A 636 LEU N . 30959 2 724 . 1 . 1 59 59 ILE H H 1 8.667 0 . 1 . . . . A 637 ILE H . 30959 2 725 . 1 . 1 59 59 ILE HA H 1 4.028 0 . 1 . . . . A 637 ILE HA . 30959 2 726 . 1 . 1 59 59 ILE HB H 1 1.56 0 . 1 . . . . A 637 ILE HB . 30959 2 727 . 1 . 1 59 59 ILE HG12 H 1 1.411 0 . 2 . . . . A 637 ILE HG12 . 30959 2 728 . 1 . 1 59 59 ILE HG13 H 1 1.411 0 . 2 . . . . A 637 ILE HG13 . 30959 2 729 . 1 . 1 59 59 ILE HG21 H 1 0.94 0 . 1 . . . . A 637 ILE HG21 . 30959 2 730 . 1 . 1 59 59 ILE HG22 H 1 0.94 0 . 1 . . . . A 637 ILE HG22 . 30959 2 731 . 1 . 1 59 59 ILE HG23 H 1 0.94 0 . 1 . . . . A 637 ILE HG23 . 30959 2 732 . 1 . 1 59 59 ILE HD11 H 1 0.777 0 . 1 . . . . A 637 ILE HD11 . 30959 2 733 . 1 . 1 59 59 ILE HD12 H 1 0.777 0 . 1 . . . . A 637 ILE HD12 . 30959 2 734 . 1 . 1 59 59 ILE HD13 H 1 0.777 0 . 1 . . . . A 637 ILE HD13 . 30959 2 735 . 1 . 1 59 59 ILE C C 13 177.674 0 . 1 . . . . A 637 ILE C . 30959 2 736 . 1 . 1 59 59 ILE CA C 13 61.308 0 . 1 . . . . A 637 ILE CA . 30959 2 737 . 1 . 1 59 59 ILE CB C 13 37.495 0 . 1 . . . . A 637 ILE CB . 30959 2 738 . 1 . 1 59 59 ILE CG1 C 13 28.922 0 . 1 . . . . A 637 ILE CG1 . 30959 2 739 . 1 . 1 59 59 ILE CG2 C 13 17.573 0 . 1 . . . . A 637 ILE CG2 . 30959 2 740 . 1 . 1 59 59 ILE CD1 C 13 11.025 0 . 1 . . . . A 637 ILE CD1 . 30959 2 741 . 1 . 1 59 59 ILE N N 15 126.656 0 . 1 . . . . A 637 ILE N . 30959 2 742 . 1 . 1 60 60 THR H H 1 7.514 0 . 1 . . . . A 638 THR H . 30959 2 743 . 1 . 1 60 60 THR HA H 1 4.706 0 . 1 . . . . A 638 THR HA . 30959 2 744 . 1 . 1 60 60 THR HB H 1 4.418 0 . 1 . . . . A 638 THR HB . 30959 2 745 . 1 . 1 60 60 THR HG1 H 1 5.733 0 . 1 . . . . A 638 THR HG1 . 30959 2 746 . 1 . 1 60 60 THR HG21 H 1 1.44 0 . 1 . . . . A 638 THR HG21 . 30959 2 747 . 1 . 1 60 60 THR HG22 H 1 1.44 0 . 1 . . . . A 638 THR HG22 . 30959 2 748 . 1 . 1 60 60 THR HG23 H 1 1.44 0 . 1 . . . . A 638 THR HG23 . 30959 2 749 . 1 . 1 60 60 THR C C 13 174.45 0 . 1 . . . . A 638 THR C . 30959 2 750 . 1 . 1 60 60 THR CA C 13 56.417 0 . 1 . . . . A 638 THR CA . 30959 2 751 . 1 . 1 60 60 THR CB C 13 70.712 0 . 1 . . . . A 638 THR CB . 30959 2 752 . 1 . 1 60 60 THR CG2 C 13 21.467 0 . 1 . . . . A 638 THR CG2 . 30959 2 753 . 1 . 1 60 60 THR N N 15 111.176 0 . 1 . . . . A 638 THR N . 30959 2 754 . 1 . 1 61 61 PRO HA H 1 4.275 0 . 1 . . . . A 639 PRO HA . 30959 2 755 . 1 . 1 61 61 PRO HB2 H 1 1.929 0 . 2 . . . . A 639 PRO HB2 . 30959 2 756 . 1 . 1 61 61 PRO HB3 H 1 2.309 0 . 2 . . . . A 639 PRO HB3 . 30959 2 757 . 1 . 1 61 61 PRO HG2 H 1 1.956 0 . 2 . . . . A 639 PRO HG2 . 30959 2 758 . 1 . 1 61 61 PRO HG3 H 1 2.067 0 . 2 . . . . A 639 PRO HG3 . 30959 2 759 . 1 . 1 61 61 PRO HD2 H 1 3.771 0 . 2 . . . . A 639 PRO HD2 . 30959 2 760 . 1 . 1 61 61 PRO HD3 H 1 4.131 0 . 2 . . . . A 639 PRO HD3 . 30959 2 761 . 1 . 1 61 61 PRO C C 13 176.464 0 . 1 . . . . A 639 PRO C . 30959 2 762 . 1 . 1 61 61 PRO CA C 13 63.258 0 . 1 . . . . A 639 PRO CA . 30959 2 763 . 1 . 1 61 61 PRO CB C 13 32.45 0 . 1 . . . . A 639 PRO CB . 30959 2 764 . 1 . 1 61 61 PRO CG C 13 27.183 0 . 1 . . . . A 639 PRO CG . 30959 2 765 . 1 . 1 61 61 PRO CD C 13 51.345 0 . 1 . . . . A 639 PRO CD . 30959 2 766 . 1 . 1 62 62 ASN H H 1 8.732 0 . 1 . . . . A 640 ASN H . 30959 2 767 . 1 . 1 62 62 ASN HA H 1 4.646 0 . 1 . . . . A 640 ASN HA . 30959 2 768 . 1 . 1 62 62 ASN HB2 H 1 2.625 0 . 2 . . . . A 640 ASN HB2 . 30959 2 769 . 1 . 1 62 62 ASN HB3 H 1 2.729 0 . 2 . . . . A 640 ASN HB3 . 30959 2 770 . 1 . 1 62 62 ASN HD21 H 1 7.68 0 . 1 . . . . A 640 ASN HD21 . 30959 2 771 . 1 . 1 62 62 ASN HD22 H 1 6.744 0 . 1 . . . . A 640 ASN HD22 . 30959 2 772 . 1 . 1 62 62 ASN C C 13 171.588 0 . 1 . . . . A 640 ASN C . 30959 2 773 . 1 . 1 62 62 ASN CA C 13 52.454 0 . 1 . . . . A 640 ASN CA . 30959 2 774 . 1 . 1 62 62 ASN CB C 13 39.253 0 . 1 . . . . A 640 ASN CB . 30959 2 775 . 1 . 1 62 62 ASN CG C 13 177.753 0 . 1 . . . . A 640 ASN CG . 30959 2 776 . 1 . 1 62 62 ASN N N 15 115.268 0 . 1 . . . . A 640 ASN N . 30959 2 777 . 1 . 1 62 62 ASN ND2 N 15 113.186 0.001999999429 . 1 . . . . A 640 ASN ND2 . 30959 2 778 . 1 . 1 63 63 PRO HA H 1 4.579 0 . 1 . . . . A 641 PRO HA . 30959 2 779 . 1 . 1 63 63 PRO HB2 H 1 1.886 0 . 2 . . . . A 641 PRO HB2 . 30959 2 780 . 1 . 1 63 63 PRO HB3 H 1 2.17 0 . 2 . . . . A 641 PRO HB3 . 30959 2 781 . 1 . 1 63 63 PRO HG2 H 1 1.84 0 . 2 . . . . A 641 PRO HG2 . 30959 2 782 . 1 . 1 63 63 PRO HG3 H 1 2.131 0 . 2 . . . . A 641 PRO HG3 . 30959 2 783 . 1 . 1 63 63 PRO HD2 H 1 3.682 0 . 2 . . . . A 641 PRO HD2 . 30959 2 784 . 1 . 1 63 63 PRO HD3 H 1 3.942 0 . 2 . . . . A 641 PRO HD3 . 30959 2 785 . 1 . 1 63 63 PRO C C 13 177.08 0 . 1 . . . . A 641 PRO C . 30959 2 786 . 1 . 1 63 63 PRO CA C 13 64.115 0 . 1 . . . . A 641 PRO CA . 30959 2 787 . 1 . 1 63 63 PRO CB C 13 31.803 0 . 1 . . . . A 641 PRO CB . 30959 2 788 . 1 . 1 63 63 PRO CG C 13 28.18 0 . 1 . . . . A 641 PRO CG . 30959 2 789 . 1 . 1 63 63 PRO CD C 13 49.698 0 . 1 . . . . A 641 PRO CD . 30959 2 790 . 1 . 1 64 64 THR H H 1 8.599 0 . 1 . . . . A 642 THR H . 30959 2 791 . 1 . 1 64 64 THR HA H 1 4.992 0 . 1 . . . . A 642 THR HA . 30959 2 792 . 1 . 1 64 64 THR HB H 1 4.048 0 . 1 . . . . A 642 THR HB . 30959 2 793 . 1 . 1 64 64 THR HG21 H 1 1.053 0 . 1 . . . . A 642 THR HG21 . 30959 2 794 . 1 . 1 64 64 THR HG22 H 1 1.053 0 . 1 . . . . A 642 THR HG22 . 30959 2 795 . 1 . 1 64 64 THR HG23 H 1 1.053 0 . 1 . . . . A 642 THR HG23 . 30959 2 796 . 1 . 1 64 64 THR C C 13 173.724 0 . 1 . . . . A 642 THR C . 30959 2 797 . 1 . 1 64 64 THR CA C 13 61.381 0 . 1 . . . . A 642 THR CA . 30959 2 798 . 1 . 1 64 64 THR CB C 13 73.476 0 . 1 . . . . A 642 THR CB . 30959 2 799 . 1 . 1 64 64 THR CG2 C 13 21.636 0 . 1 . . . . A 642 THR CG2 . 30959 2 800 . 1 . 1 64 64 THR N N 15 119.159 0 . 1 . . . . A 642 THR N . 30959 2 801 . 1 . 1 65 65 ILE H H 1 8.758 0 . 1 . . . . A 643 ILE H . 30959 2 802 . 1 . 1 65 65 ILE HA H 1 4.31 0 . 1 . . . . A 643 ILE HA . 30959 2 803 . 1 . 1 65 65 ILE HB H 1 2.168 0 . 1 . . . . A 643 ILE HB . 30959 2 804 . 1 . 1 65 65 ILE HG12 H 1 0.884 0 . 2 . . . . A 643 ILE HG12 . 30959 2 805 . 1 . 1 65 65 ILE HG13 H 1 1.484 0 . 2 . . . . A 643 ILE HG13 . 30959 2 806 . 1 . 1 65 65 ILE HG21 H 1 0.972 0 . 1 . . . . A 643 ILE HG21 . 30959 2 807 . 1 . 1 65 65 ILE HG22 H 1 0.972 0 . 1 . . . . A 643 ILE HG22 . 30959 2 808 . 1 . 1 65 65 ILE HG23 H 1 0.972 0 . 1 . . . . A 643 ILE HG23 . 30959 2 809 . 1 . 1 65 65 ILE HD11 H 1 0.717 0 . 1 . . . . A 643 ILE HD11 . 30959 2 810 . 1 . 1 65 65 ILE HD12 H 1 0.717 0 . 1 . . . . A 643 ILE HD12 . 30959 2 811 . 1 . 1 65 65 ILE HD13 H 1 0.717 0 . 1 . . . . A 643 ILE HD13 . 30959 2 812 . 1 . 1 65 65 ILE C C 13 175.578 0 . 1 . . . . A 643 ILE C . 30959 2 813 . 1 . 1 65 65 ILE CA C 13 58.101 0 . 1 . . . . A 643 ILE CA . 30959 2 814 . 1 . 1 65 65 ILE CB C 13 35.89 0 . 1 . . . . A 643 ILE CB . 30959 2 815 . 1 . 1 65 65 ILE CG1 C 13 25.247 0 . 1 . . . . A 643 ILE CG1 . 30959 2 816 . 1 . 1 65 65 ILE CG2 C 13 17.579 0 . 1 . . . . A 643 ILE CG2 . 30959 2 817 . 1 . 1 65 65 ILE CD1 C 13 9.571 0 . 1 . . . . A 643 ILE CD1 . 30959 2 818 . 1 . 1 65 65 ILE N N 15 123.47 0 . 1 . . . . A 643 ILE N . 30959 2 819 . 1 . 1 66 66 GLU H H 1 8.137 0 . 1 . . . . A 644 GLU H . 30959 2 820 . 1 . 1 66 66 GLU HA H 1 4.65 0 . 1 . . . . A 644 GLU HA . 30959 2 821 . 1 . 1 66 66 GLU HB2 H 1 1.847 0 . 2 . . . . A 644 GLU HB2 . 30959 2 822 . 1 . 1 66 66 GLU HB3 H 1 2.44 0 . 2 . . . . A 644 GLU HB3 . 30959 2 823 . 1 . 1 66 66 GLU HG2 H 1 2.325 0 . 2 . . . . A 644 GLU HG2 . 30959 2 824 . 1 . 1 66 66 GLU HG3 H 1 2.457 0 . 2 . . . . A 644 GLU HG3 . 30959 2 825 . 1 . 1 66 66 GLU C C 13 177.061 0 . 1 . . . . A 644 GLU C . 30959 2 826 . 1 . 1 66 66 GLU CA C 13 54.554 0 . 1 . . . . A 644 GLU CA . 30959 2 827 . 1 . 1 66 66 GLU CB C 13 30.816 0 . 1 . . . . A 644 GLU CB . 30959 2 828 . 1 . 1 66 66 GLU CG C 13 35.559 0 . 1 . . . . A 644 GLU CG . 30959 2 829 . 1 . 1 66 66 GLU N N 15 124.459 0 . 1 . . . . A 644 GLU N . 30959 2 830 . 1 . 1 67 67 THR H H 1 9.149 0 . 1 . . . . A 645 THR H . 30959 2 831 . 1 . 1 67 67 THR HA H 1 3.744 0 . 1 . . . . A 645 THR HA . 30959 2 832 . 1 . 1 67 67 THR HB H 1 4.271 0 . 1 . . . . A 645 THR HB . 30959 2 833 . 1 . 1 67 67 THR HG21 H 1 1.248 0 . 1 . . . . A 645 THR HG21 . 30959 2 834 . 1 . 1 67 67 THR HG22 H 1 1.248 0 . 1 . . . . A 645 THR HG22 . 30959 2 835 . 1 . 1 67 67 THR HG23 H 1 1.248 0 . 1 . . . . A 645 THR HG23 . 30959 2 836 . 1 . 1 67 67 THR C C 13 175.612 0 . 1 . . . . A 645 THR C . 30959 2 837 . 1 . 1 67 67 THR CA C 13 66.495 0 . 1 . . . . A 645 THR CA . 30959 2 838 . 1 . 1 67 67 THR CB C 13 68.32 0 . 1 . . . . A 645 THR CB . 30959 2 839 . 1 . 1 67 67 THR CG2 C 13 22.327 0 . 1 . . . . A 645 THR CG2 . 30959 2 840 . 1 . 1 67 67 THR N N 15 113.739 0 . 1 . . . . A 645 THR N . 30959 2 841 . 1 . 1 68 68 SER H H 1 7.712 0 . 1 . . . . A 646 SER H . 30959 2 842 . 1 . 1 68 68 SER HA H 1 4.574 0 . 1 . . . . A 646 SER HA . 30959 2 843 . 1 . 1 68 68 SER HB2 H 1 3.898 0 . 2 . . . . A 646 SER HB2 . 30959 2 844 . 1 . 1 68 68 SER HB3 H 1 3.949 0 . 2 . . . . A 646 SER HB3 . 30959 2 845 . 1 . 1 68 68 SER C C 13 174.896 0 . 1 . . . . A 646 SER C . 30959 2 846 . 1 . 1 68 68 SER CA C 13 58.063 0 . 1 . . . . A 646 SER CA . 30959 2 847 . 1 . 1 68 68 SER CB C 13 64.047 0 . 1 . . . . A 646 SER CB . 30959 2 848 . 1 . 1 68 68 SER N N 15 112.555 0 . 1 . . . . A 646 SER N . 30959 2 849 . 1 . 1 69 69 GLY H H 1 8.047 0 . 1 . . . . A 647 GLY H . 30959 2 850 . 1 . 1 69 69 GLY HA2 H 1 3.861 0 . 2 . . . . A 647 GLY HA2 . 30959 2 851 . 1 . 1 69 69 GLY HA3 H 1 4.465 0 . 2 . . . . A 647 GLY HA3 . 30959 2 852 . 1 . 1 69 69 GLY C C 13 173.254 0 . 1 . . . . A 647 GLY C . 30959 2 853 . 1 . 1 69 69 GLY CA C 13 45.315 0 . 1 . . . . A 647 GLY CA . 30959 2 854 . 1 . 1 69 69 GLY N N 15 109.918 0 . 1 . . . . A 647 GLY N . 30959 2 855 . 1 . 1 70 70 GLY H H 1 8.381 0 . 1 . . . . A 648 GLY H . 30959 2 856 . 1 . 1 70 70 GLY HA2 H 1 4.441 0 . 2 . . . . A 648 GLY HA2 . 30959 2 857 . 1 . 1 70 70 GLY HA3 H 1 4.579 0 . 2 . . . . A 648 GLY HA3 . 30959 2 858 . 1 . 1 70 70 GLY C C 13 174.213 0 . 1 . . . . A 648 GLY C . 30959 2 859 . 1 . 1 70 70 GLY CA C 13 44.533 0 . 1 . . . . A 648 GLY CA . 30959 2 860 . 1 . 1 70 70 GLY N N 15 108.486 0 . 1 . . . . A 648 GLY N . 30959 2 861 . 1 . 1 71 71 GLY H H 1 8.79 0 . 1 . . . . A 649 GLY H . 30959 2 862 . 1 . 1 71 71 GLY HA2 H 1 4.118 0 . 2 . . . . A 649 GLY HA2 . 30959 2 863 . 1 . 1 71 71 GLY HA3 H 1 4.118 0 . 2 . . . . A 649 GLY HA3 . 30959 2 864 . 1 . 1 71 71 GLY C C 13 172.385 0 . 1 . . . . A 649 GLY C . 30959 2 865 . 1 . 1 71 71 GLY CA C 13 45.59 0 . 1 . . . . A 649 GLY CA . 30959 2 866 . 1 . 1 71 71 GLY N N 15 106.607 0 . 1 . . . . A 649 GLY N . 30959 2 867 . 1 . 1 72 72 PHE H H 1 8.409 0 . 1 . . . . A 650 PHE H . 30959 2 868 . 1 . 1 72 72 PHE HA H 1 5.129 0 . 1 . . . . A 650 PHE HA . 30959 2 869 . 1 . 1 72 72 PHE HB2 H 1 3.086 0 . 2 . . . . A 650 PHE HB2 . 30959 2 870 . 1 . 1 72 72 PHE HB3 H 1 3.124 0 . 2 . . . . A 650 PHE HB3 . 30959 2 871 . 1 . 1 72 72 PHE HD1 H 1 7.207 0 . 3 . . . . A 650 PHE HD1 . 30959 2 872 . 1 . 1 72 72 PHE HD2 H 1 7.207 0 . 3 . . . . A 650 PHE HD2 . 30959 2 873 . 1 . 1 72 72 PHE HE1 H 1 7.294 0 . 3 . . . . A 650 PHE HE1 . 30959 2 874 . 1 . 1 72 72 PHE HE2 H 1 7.294 0 . 3 . . . . A 650 PHE HE2 . 30959 2 875 . 1 . 1 72 72 PHE HZ H 1 7.28 0 . 1 . . . . A 650 PHE HZ . 30959 2 876 . 1 . 1 72 72 PHE C C 13 174.36 0 . 1 . . . . A 650 PHE C . 30959 2 877 . 1 . 1 72 72 PHE CA C 13 57.833 0 . 1 . . . . A 650 PHE CA . 30959 2 878 . 1 . 1 72 72 PHE CB C 13 41.036 0 . 1 . . . . A 650 PHE CB . 30959 2 879 . 1 . 1 72 72 PHE CD1 C 13 132.18 0 . 3 . . . . A 650 PHE CD1 . 30959 2 880 . 1 . 1 72 72 PHE CD2 C 13 132.18 0 . 3 . . . . A 650 PHE CD2 . 30959 2 881 . 1 . 1 72 72 PHE CE1 C 13 131.24 0 . 3 . . . . A 650 PHE CE1 . 30959 2 882 . 1 . 1 72 72 PHE CE2 C 13 131.24 0 . 3 . . . . A 650 PHE CE2 . 30959 2 883 . 1 . 1 72 72 PHE CZ C 13 130.151 0 . 1 . . . . A 650 PHE CZ . 30959 2 884 . 1 . 1 72 72 PHE N N 15 124.218 0 . 1 . . . . A 650 PHE N . 30959 2 885 . 1 . 1 73 73 ILE H H 1 7.967 0 . 1 . . . . A 651 ILE H . 30959 2 886 . 1 . 1 73 73 ILE HA H 1 4.36 0 . 1 . . . . A 651 ILE HA . 30959 2 887 . 1 . 1 73 73 ILE HB H 1 1.307 0 . 1 . . . . A 651 ILE HB . 30959 2 888 . 1 . 1 73 73 ILE HG12 H 1 0.643 0 . 2 . . . . A 651 ILE HG12 . 30959 2 889 . 1 . 1 73 73 ILE HG13 H 1 1.47 0 . 2 . . . . A 651 ILE HG13 . 30959 2 890 . 1 . 1 73 73 ILE HG21 H 1 0.642 0 . 1 . . . . A 651 ILE HG21 . 30959 2 891 . 1 . 1 73 73 ILE HG22 H 1 0.642 0 . 1 . . . . A 651 ILE HG22 . 30959 2 892 . 1 . 1 73 73 ILE HG23 H 1 0.642 0 . 1 . . . . A 651 ILE HG23 . 30959 2 893 . 1 . 1 73 73 ILE HD11 H 1 0.624 0 . 1 . . . . A 651 ILE HD11 . 30959 2 894 . 1 . 1 73 73 ILE HD12 H 1 0.624 0 . 1 . . . . A 651 ILE HD12 . 30959 2 895 . 1 . 1 73 73 ILE HD13 H 1 0.624 0 . 1 . . . . A 651 ILE HD13 . 30959 2 896 . 1 . 1 73 73 ILE C C 13 172.272 0 . 1 . . . . A 651 ILE C . 30959 2 897 . 1 . 1 73 73 ILE CA C 13 60.248 0 . 1 . . . . A 651 ILE CA . 30959 2 898 . 1 . 1 73 73 ILE CB C 13 42.276 0 . 1 . . . . A 651 ILE CB . 30959 2 899 . 1 . 1 73 73 ILE CG1 C 13 27.572 0 . 1 . . . . A 651 ILE CG1 . 30959 2 900 . 1 . 1 73 73 ILE CG2 C 13 19.359 0 . 1 . . . . A 651 ILE CG2 . 30959 2 901 . 1 . 1 73 73 ILE CD1 C 13 15.681 0 . 1 . . . . A 651 ILE CD1 . 30959 2 902 . 1 . 1 73 73 ILE N N 15 126.348 0 . 1 . . . . A 651 ILE N . 30959 2 903 . 1 . 1 74 74 GLU H H 1 8.234 0 . 1 . . . . A 652 GLU H . 30959 2 904 . 1 . 1 74 74 GLU HA H 1 5.302 0 . 1 . . . . A 652 GLU HA . 30959 2 905 . 1 . 1 74 74 GLU HB2 H 1 1.9 0 . 2 . . . . A 652 GLU HB2 . 30959 2 906 . 1 . 1 74 74 GLU HB3 H 1 1.939 0 . 2 . . . . A 652 GLU HB3 . 30959 2 907 . 1 . 1 74 74 GLU HG2 H 1 1.896 0 . 2 . . . . A 652 GLU HG2 . 30959 2 908 . 1 . 1 74 74 GLU HG3 H 1 2.208 0 . 2 . . . . A 652 GLU HG3 . 30959 2 909 . 1 . 1 74 74 GLU C C 13 175.538 0 . 1 . . . . A 652 GLU C . 30959 2 910 . 1 . 1 74 74 GLU CA C 13 53.831 0 . 1 . . . . A 652 GLU CA . 30959 2 911 . 1 . 1 74 74 GLU CB C 13 32.6 0 . 1 . . . . A 652 GLU CB . 30959 2 912 . 1 . 1 74 74 GLU CG C 13 35.666 0 . 1 . . . . A 652 GLU CG . 30959 2 913 . 1 . 1 74 74 GLU N N 15 126.356 0 . 1 . . . . A 652 GLU N . 30959 2 914 . 1 . 1 75 75 MET H H 1 9.327 0 . 1 . . . . A 653 MET H . 30959 2 915 . 1 . 1 75 75 MET HA H 1 5.419 0 . 1 . . . . A 653 MET HA . 30959 2 916 . 1 . 1 75 75 MET HB2 H 1 1.584 0 . 2 . . . . A 653 MET HB2 . 30959 2 917 . 1 . 1 75 75 MET HB3 H 1 1.929 0 . 2 . . . . A 653 MET HB3 . 30959 2 918 . 1 . 1 75 75 MET HG2 H 1 1.802 0 . 2 . . . . A 653 MET HG2 . 30959 2 919 . 1 . 1 75 75 MET HG3 H 1 2.113 0 . 2 . . . . A 653 MET HG3 . 30959 2 920 . 1 . 1 75 75 MET HE1 H 1 1.575 0 . 1 . . . . A 653 MET HE1 . 30959 2 921 . 1 . 1 75 75 MET HE2 H 1 1.575 0 . 1 . . . . A 653 MET HE2 . 30959 2 922 . 1 . 1 75 75 MET HE3 H 1 1.575 0 . 1 . . . . A 653 MET HE3 . 30959 2 923 . 1 . 1 75 75 MET C C 13 172.108 0 . 1 . . . . A 653 MET C . 30959 2 924 . 1 . 1 75 75 MET CA C 13 54.077 0 . 1 . . . . A 653 MET CA . 30959 2 925 . 1 . 1 75 75 MET CB C 13 37.865 0 . 1 . . . . A 653 MET CB . 30959 2 926 . 1 . 1 75 75 MET CG C 13 29.322 0 . 1 . . . . A 653 MET CG . 30959 2 927 . 1 . 1 75 75 MET CE C 13 15.886 0 . 1 . . . . A 653 MET CE . 30959 2 928 . 1 . 1 75 75 MET N N 15 123.039 0 . 1 . . . . A 653 MET N . 30959 2 929 . 1 . 1 76 76 GLN H H 1 9.31 0 . 1 . . . . A 654 GLN H . 30959 2 930 . 1 . 1 76 76 GLN HA H 1 4.965 0 . 1 . . . . A 654 GLN HA . 30959 2 931 . 1 . 1 76 76 GLN HB2 H 1 1.911 0 . 2 . . . . A 654 GLN HB2 . 30959 2 932 . 1 . 1 76 76 GLN HB3 H 1 2.108 0 . 2 . . . . A 654 GLN HB3 . 30959 2 933 . 1 . 1 76 76 GLN HG2 H 1 2.409 0 . 2 . . . . A 654 GLN HG2 . 30959 2 934 . 1 . 1 76 76 GLN HG3 H 1 2.409 0 . 2 . . . . A 654 GLN HG3 . 30959 2 935 . 1 . 1 76 76 GLN HE21 H 1 6.819 0 . 1 . . . . A 654 GLN HE21 . 30959 2 936 . 1 . 1 76 76 GLN HE22 H 1 7.524 0 . 1 . . . . A 654 GLN HE22 . 30959 2 937 . 1 . 1 76 76 GLN C C 13 174.31 0 . 1 . . . . A 654 GLN C . 30959 2 938 . 1 . 1 76 76 GLN CA C 13 54.539 0 . 1 . . . . A 654 GLN CA . 30959 2 939 . 1 . 1 76 76 GLN CB C 13 32.211 0 . 1 . . . . A 654 GLN CB . 30959 2 940 . 1 . 1 76 76 GLN CG C 13 34.976 0 . 1 . . . . A 654 GLN CG . 30959 2 941 . 1 . 1 76 76 GLN CD C 13 179.542 0 . 1 . . . . A 654 GLN CD . 30959 2 942 . 1 . 1 76 76 GLN N N 15 121.536 0 . 1 . . . . A 654 GLN N . 30959 2 943 . 1 . 1 76 76 GLN NE2 N 15 111.6005 0.0175 . 1 . . . . A 654 GLN NE2 . 30959 2 944 . 1 . 1 77 77 LEU H H 1 8.659 0 . 1 . . . . A 655 LEU H . 30959 2 945 . 1 . 1 77 77 LEU HA H 1 4.893 0 . 1 . . . . A 655 LEU HA . 30959 2 946 . 1 . 1 77 77 LEU HB2 H 1 1.319 0 . 2 . . . . A 655 LEU HB2 . 30959 2 947 . 1 . 1 77 77 LEU HB3 H 1 1.466 0 . 2 . . . . A 655 LEU HB3 . 30959 2 948 . 1 . 1 77 77 LEU HG H 1 1.123 0 . 1 . . . . A 655 LEU HG . 30959 2 949 . 1 . 1 77 77 LEU HD11 H 1 0.623 0 . 2 . . . . A 655 LEU HD11 . 30959 2 950 . 1 . 1 77 77 LEU HD12 H 1 0.623 0 . 2 . . . . A 655 LEU HD12 . 30959 2 951 . 1 . 1 77 77 LEU HD13 H 1 0.623 0 . 2 . . . . A 655 LEU HD13 . 30959 2 952 . 1 . 1 77 77 LEU HD21 H 1 0.727 0 . 2 . . . . A 655 LEU HD21 . 30959 2 953 . 1 . 1 77 77 LEU HD22 H 1 0.727 0 . 2 . . . . A 655 LEU HD22 . 30959 2 954 . 1 . 1 77 77 LEU HD23 H 1 0.727 0 . 2 . . . . A 655 LEU HD23 . 30959 2 955 . 1 . 1 77 77 LEU C C 13 173.056 0 . 1 . . . . A 655 LEU C . 30959 2 956 . 1 . 1 77 77 LEU CA C 13 51.38 0 . 1 . . . . A 655 LEU CA . 30959 2 957 . 1 . 1 77 77 LEU CB C 13 44.051 0 . 1 . . . . A 655 LEU CB . 30959 2 958 . 1 . 1 77 77 LEU CG C 13 27.565 0 . 1 . . . . A 655 LEU CG . 30959 2 959 . 1 . 1 77 77 LEU CD1 C 13 24.971 0 . 2 . . . . A 655 LEU CD1 . 30959 2 960 . 1 . 1 77 77 LEU CD2 C 13 26.68 0 . 2 . . . . A 655 LEU CD2 . 30959 2 961 . 1 . 1 77 77 LEU N N 15 125.259 0 . 1 . . . . A 655 LEU N . 30959 2 962 . 1 . 1 78 78 PRO HA H 1 4.773 0 . 1 . . . . A 656 PRO HA . 30959 2 963 . 1 . 1 78 78 PRO HB2 H 1 1.977 0 . 2 . . . . A 656 PRO HB2 . 30959 2 964 . 1 . 1 78 78 PRO HB3 H 1 2.328 0 . 2 . . . . A 656 PRO HB3 . 30959 2 965 . 1 . 1 78 78 PRO HG2 H 1 1.984 0 . 2 . . . . A 656 PRO HG2 . 30959 2 966 . 1 . 1 78 78 PRO HG3 H 1 2.113 0 . 2 . . . . A 656 PRO HG3 . 30959 2 967 . 1 . 1 78 78 PRO HD2 H 1 3.445 0 . 2 . . . . A 656 PRO HD2 . 30959 2 968 . 1 . 1 78 78 PRO HD3 H 1 3.698 0 . 2 . . . . A 656 PRO HD3 . 30959 2 969 . 1 . 1 78 78 PRO CB C 13 30.291 0 . 1 . . . . A 656 PRO CB . 30959 2 970 . 1 . 1 78 78 PRO CG C 13 26.901 0 . 1 . . . . A 656 PRO CG . 30959 2 971 . 1 . 1 78 78 PRO CD C 13 49.835 0 . 1 . . . . A 656 PRO CD . 30959 2 972 . 1 . 1 79 79 PRO HA H 1 3.866 0 . 1 . . . . A 657 PRO HA . 30959 2 973 . 1 . 1 79 79 PRO HB2 H 1 1.731 0 . 2 . . . . A 657 PRO HB2 . 30959 2 974 . 1 . 1 79 79 PRO HB3 H 1 2.046 0 . 2 . . . . A 657 PRO HB3 . 30959 2 975 . 1 . 1 79 79 PRO HG2 H 1 1.925 0 . 2 . . . . A 657 PRO HG2 . 30959 2 976 . 1 . 1 79 79 PRO HG3 H 1 2.089 0 . 2 . . . . A 657 PRO HG3 . 30959 2 977 . 1 . 1 79 79 PRO HD2 H 1 3.523 0 . 2 . . . . A 657 PRO HD2 . 30959 2 978 . 1 . 1 79 79 PRO HD3 H 1 3.834 0 . 2 . . . . A 657 PRO HD3 . 30959 2 979 . 1 . 1 79 79 PRO C C 13 177.048 0 . 1 . . . . A 657 PRO C . 30959 2 980 . 1 . 1 79 79 PRO CA C 13 62.943 0 . 1 . . . . A 657 PRO CA . 30959 2 981 . 1 . 1 79 79 PRO CB C 13 32.368 0 . 1 . . . . A 657 PRO CB . 30959 2 982 . 1 . 1 79 79 PRO CG C 13 27.896 0 . 1 . . . . A 657 PRO CG . 30959 2 983 . 1 . 1 79 79 PRO CD C 13 50.246 0 . 1 . . . . A 657 PRO CD . 30959 2 984 . 1 . 1 80 80 GLY H H 1 8.86 0 . 1 . . . . A 658 GLY H . 30959 2 985 . 1 . 1 80 80 GLY HA2 H 1 3.348 0 . 2 . . . . A 658 GLY HA2 . 30959 2 986 . 1 . 1 80 80 GLY HA3 H 1 4.529 0 . 2 . . . . A 658 GLY HA3 . 30959 2 987 . 1 . 1 80 80 GLY C C 13 172.471 0 . 1 . . . . A 658 GLY C . 30959 2 988 . 1 . 1 80 80 GLY CA C 13 43.577 0 . 1 . . . . A 658 GLY CA . 30959 2 989 . 1 . 1 80 80 GLY N N 15 110.85 0 . 1 . . . . A 658 GLY N . 30959 2 990 . 1 . 1 81 81 ASP H H 1 8.444 0 . 1 . . . . A 659 ASP H . 30959 2 991 . 1 . 1 81 81 ASP HA H 1 4.758 0 . 1 . . . . A 659 ASP HA . 30959 2 992 . 1 . 1 81 81 ASP HB2 H 1 2.591 0 . 2 . . . . A 659 ASP HB2 . 30959 2 993 . 1 . 1 81 81 ASP HB3 H 1 2.772 0 . 2 . . . . A 659 ASP HB3 . 30959 2 994 . 1 . 1 81 81 ASP C C 13 175.067 0 . 1 . . . . A 659 ASP C . 30959 2 995 . 1 . 1 81 81 ASP CA C 13 55.154 0 . 1 . . . . A 659 ASP CA . 30959 2 996 . 1 . 1 81 81 ASP CB C 13 41.51 0 . 1 . . . . A 659 ASP CB . 30959 2 997 . 1 . 1 81 81 ASP N N 15 119.981 0 . 1 . . . . A 659 ASP N . 30959 2 998 . 1 . 1 82 82 ASN H H 1 8.939 0 . 1 . . . . A 660 ASN H . 30959 2 999 . 1 . 1 82 82 ASN HA H 1 5.847 0 . 1 . . . . A 660 ASN HA . 30959 2 1000 . 1 . 1 82 82 ASN HB2 H 1 2.365 0 . 2 . . . . A 660 ASN HB2 . 30959 2 1001 . 1 . 1 82 82 ASN HB3 H 1 2.866 0 . 2 . . . . A 660 ASN HB3 . 30959 2 1002 . 1 . 1 82 82 ASN HD21 H 1 5.775 0 . 1 . . . . A 660 ASN HD21 . 30959 2 1003 . 1 . 1 82 82 ASN HD22 H 1 6.808 0 . 1 . . . . A 660 ASN HD22 . 30959 2 1004 . 1 . 1 82 82 ASN C C 13 174.774 0 . 1 . . . . A 660 ASN C . 30959 2 1005 . 1 . 1 82 82 ASN CA C 13 52.674 0 . 1 . . . . A 660 ASN CA . 30959 2 1006 . 1 . 1 82 82 ASN CB C 13 44.852 0 . 1 . . . . A 660 ASN CB . 30959 2 1007 . 1 . 1 82 82 ASN N N 15 123.735 0 . 1 . . . . A 660 ASN N . 30959 2 1008 . 1 . 1 82 82 ASN ND2 N 15 111.6465 0.0005000000846 . 1 . . . . A 660 ASN ND2 . 30959 2 1009 . 1 . 1 83 83 ILE H H 1 9.614 0 . 1 . . . . A 661 ILE H . 30959 2 1010 . 1 . 1 83 83 ILE HA H 1 4.43 0 . 1 . . . . A 661 ILE HA . 30959 2 1011 . 1 . 1 83 83 ILE HB H 1 1.637 0 . 1 . . . . A 661 ILE HB . 30959 2 1012 . 1 . 1 83 83 ILE HG12 H 1 0.909 0 . 2 . . . . A 661 ILE HG12 . 30959 2 1013 . 1 . 1 83 83 ILE HG13 H 1 1.416 0 . 2 . . . . A 661 ILE HG13 . 30959 2 1014 . 1 . 1 83 83 ILE HG21 H 1 0.266 0 . 1 . . . . A 661 ILE HG21 . 30959 2 1015 . 1 . 1 83 83 ILE HG22 H 1 0.266 0 . 1 . . . . A 661 ILE HG22 . 30959 2 1016 . 1 . 1 83 83 ILE HG23 H 1 0.266 0 . 1 . . . . A 661 ILE HG23 . 30959 2 1017 . 1 . 1 83 83 ILE HD11 H 1 0.775 0 . 1 . . . . A 661 ILE HD11 . 30959 2 1018 . 1 . 1 83 83 ILE HD12 H 1 0.775 0 . 1 . . . . A 661 ILE HD12 . 30959 2 1019 . 1 . 1 83 83 ILE HD13 H 1 0.775 0 . 1 . . . . A 661 ILE HD13 . 30959 2 1020 . 1 . 1 83 83 ILE C C 13 174.73 0 . 1 . . . . A 661 ILE C . 30959 2 1021 . 1 . 1 83 83 ILE CA C 13 62.16 0 . 1 . . . . A 661 ILE CA . 30959 2 1022 . 1 . 1 83 83 ILE CB C 13 40.224 0 . 1 . . . . A 661 ILE CB . 30959 2 1023 . 1 . 1 83 83 ILE CG1 C 13 28.043 0 . 1 . . . . A 661 ILE CG1 . 30959 2 1024 . 1 . 1 83 83 ILE CG2 C 13 18.261 0 . 1 . . . . A 661 ILE CG2 . 30959 2 1025 . 1 . 1 83 83 ILE CD1 C 13 13.668 0 . 1 . . . . A 661 ILE CD1 . 30959 2 1026 . 1 . 1 83 83 ILE N N 15 121.593 0 . 1 . . . . A 661 ILE N . 30959 2 1027 . 1 . 1 84 84 ILE H H 1 8.711 0 . 1 . . . . A 662 ILE H . 30959 2 1028 . 1 . 1 84 84 ILE HA H 1 4.05 0 . 1 . . . . A 662 ILE HA . 30959 2 1029 . 1 . 1 84 84 ILE HB H 1 1.687 0 . 1 . . . . A 662 ILE HB . 30959 2 1030 . 1 . 1 84 84 ILE HG12 H 1 0.782 0 . 2 . . . . A 662 ILE HG12 . 30959 2 1031 . 1 . 1 84 84 ILE HG13 H 1 1.6 0 . 2 . . . . A 662 ILE HG13 . 30959 2 1032 . 1 . 1 84 84 ILE HG21 H 1 0.784 0 . 1 . . . . A 662 ILE HG21 . 30959 2 1033 . 1 . 1 84 84 ILE HG22 H 1 0.784 0 . 1 . . . . A 662 ILE HG22 . 30959 2 1034 . 1 . 1 84 84 ILE HG23 H 1 0.784 0 . 1 . . . . A 662 ILE HG23 . 30959 2 1035 . 1 . 1 84 84 ILE HD11 H 1 0.435 0 . 1 . . . . A 662 ILE HD11 . 30959 2 1036 . 1 . 1 84 84 ILE HD12 H 1 0.435 0 . 1 . . . . A 662 ILE HD12 . 30959 2 1037 . 1 . 1 84 84 ILE HD13 H 1 0.435 0 . 1 . . . . A 662 ILE HD13 . 30959 2 1038 . 1 . 1 84 84 ILE C C 13 174.011 0 . 1 . . . . A 662 ILE C . 30959 2 1039 . 1 . 1 84 84 ILE CA C 13 61.614 0 . 1 . . . . A 662 ILE CA . 30959 2 1040 . 1 . 1 84 84 ILE CB C 13 40.896 0 . 1 . . . . A 662 ILE CB . 30959 2 1041 . 1 . 1 84 84 ILE CG1 C 13 27.98 0 . 1 . . . . A 662 ILE CG1 . 30959 2 1042 . 1 . 1 84 84 ILE CG2 C 13 17.394 0 . 1 . . . . A 662 ILE CG2 . 30959 2 1043 . 1 . 1 84 84 ILE CD1 C 13 14.655 0 . 1 . . . . A 662 ILE CD1 . 30959 2 1044 . 1 . 1 84 84 ILE N N 15 127.048 0 . 1 . . . . A 662 ILE N . 30959 2 1045 . 1 . 1 85 85 TYR H H 1 9.064 0 . 1 . . . . A 663 TYR H . 30959 2 1046 . 1 . 1 85 85 TYR HA H 1 5.547 0 . 1 . . . . A 663 TYR HA . 30959 2 1047 . 1 . 1 85 85 TYR HB2 H 1 2.621 0 . 2 . . . . A 663 TYR HB2 . 30959 2 1048 . 1 . 1 85 85 TYR HB3 H 1 3.088 0 . 2 . . . . A 663 TYR HB3 . 30959 2 1049 . 1 . 1 85 85 TYR HD1 H 1 6.889 0 . 3 . . . . A 663 TYR HD1 . 30959 2 1050 . 1 . 1 85 85 TYR HD2 H 1 6.889 0 . 3 . . . . A 663 TYR HD2 . 30959 2 1051 . 1 . 1 85 85 TYR HE1 H 1 6.705 0 . 3 . . . . A 663 TYR HE1 . 30959 2 1052 . 1 . 1 85 85 TYR HE2 H 1 6.705 0 . 3 . . . . A 663 TYR HE2 . 30959 2 1053 . 1 . 1 85 85 TYR C C 13 175.839 0 . 1 . . . . A 663 TYR C . 30959 2 1054 . 1 . 1 85 85 TYR CA C 13 56.795 0 . 1 . . . . A 663 TYR CA . 30959 2 1055 . 1 . 1 85 85 TYR CB C 13 41.297 0 . 1 . . . . A 663 TYR CB . 30959 2 1056 . 1 . 1 85 85 TYR CD1 C 13 133.102 0 . 3 . . . . A 663 TYR CD1 . 30959 2 1057 . 1 . 1 85 85 TYR CD2 C 13 133.102 0 . 3 . . . . A 663 TYR CD2 . 30959 2 1058 . 1 . 1 85 85 TYR CE1 C 13 118.064 0 . 3 . . . . A 663 TYR CE1 . 30959 2 1059 . 1 . 1 85 85 TYR CE2 C 13 118.064 0 . 3 . . . . A 663 TYR CE2 . 30959 2 1060 . 1 . 1 85 85 TYR N N 15 124.044 0 . 1 . . . . A 663 TYR N . 30959 2 1061 . 1 . 1 86 86 VAL H H 1 8.389 0 . 1 . . . . A 664 VAL H . 30959 2 1062 . 1 . 1 86 86 VAL HA H 1 4.026 0 . 1 . . . . A 664 VAL HA . 30959 2 1063 . 1 . 1 86 86 VAL HB H 1 1.23 0 . 1 . . . . A 664 VAL HB . 30959 2 1064 . 1 . 1 86 86 VAL HG11 H 1 -0.24 0 . 2 . . . . A 664 VAL HG11 . 30959 2 1065 . 1 . 1 86 86 VAL HG12 H 1 -0.24 0 . 2 . . . . A 664 VAL HG12 . 30959 2 1066 . 1 . 1 86 86 VAL HG13 H 1 -0.24 0 . 2 . . . . A 664 VAL HG13 . 30959 2 1067 . 1 . 1 86 86 VAL HG21 H 1 0.532 0 . 2 . . . . A 664 VAL HG21 . 30959 2 1068 . 1 . 1 86 86 VAL HG22 H 1 0.532 0 . 2 . . . . A 664 VAL HG22 . 30959 2 1069 . 1 . 1 86 86 VAL HG23 H 1 0.532 0 . 2 . . . . A 664 VAL HG23 . 30959 2 1070 . 1 . 1 86 86 VAL C C 13 175.333 0 . 1 . . . . A 664 VAL C . 30959 2 1071 . 1 . 1 86 86 VAL CA C 13 61.394 0 . 1 . . . . A 664 VAL CA . 30959 2 1072 . 1 . 1 86 86 VAL CB C 13 31.29 0 . 1 . . . . A 664 VAL CB . 30959 2 1073 . 1 . 1 86 86 VAL CG1 C 13 21.112 0 . 2 . . . . A 664 VAL CG1 . 30959 2 1074 . 1 . 1 86 86 VAL CG2 C 13 21.38 0 . 2 . . . . A 664 VAL CG2 . 30959 2 1075 . 1 . 1 86 86 VAL N N 15 123.108 0 . 1 . . . . A 664 VAL N . 30959 2 1076 . 1 . 1 87 87 GLY H H 1 8.132 0 . 1 . . . . A 665 GLY H . 30959 2 1077 . 1 . 1 87 87 GLY HA2 H 1 3.526 0 . 2 . . . . A 665 GLY HA2 . 30959 2 1078 . 1 . 1 87 87 GLY HA3 H 1 4.056 0 . 2 . . . . A 665 GLY HA3 . 30959 2 1079 . 1 . 1 87 87 GLY C C 13 173.958 0 . 1 . . . . A 665 GLY C . 30959 2 1080 . 1 . 1 87 87 GLY CA C 13 47.202 0 . 1 . . . . A 665 GLY CA . 30959 2 1081 . 1 . 1 87 87 GLY N N 15 111.207 0 . 1 . . . . A 665 GLY N . 30959 2 1082 . 1 . 1 88 88 ASP H H 1 8.562 0 . 1 . . . . A 666 ASP H . 30959 2 1083 . 1 . 1 88 88 ASP HA H 1 4.721 0 . 1 . . . . A 666 ASP HA . 30959 2 1084 . 1 . 1 88 88 ASP HB2 H 1 2.54 0 . 2 . . . . A 666 ASP HB2 . 30959 2 1085 . 1 . 1 88 88 ASP HB3 H 1 2.867 0 . 2 . . . . A 666 ASP HB3 . 30959 2 1086 . 1 . 1 88 88 ASP C C 13 177.277 0 . 1 . . . . A 666 ASP C . 30959 2 1087 . 1 . 1 88 88 ASP CA C 13 55.03 0 . 1 . . . . A 666 ASP CA . 30959 2 1088 . 1 . 1 88 88 ASP CB C 13 41.165 0 . 1 . . . . A 666 ASP CB . 30959 2 1089 . 1 . 1 88 88 ASP N N 15 126.335 0 . 1 . . . . A 666 ASP N . 30959 2 1090 . 1 . 1 89 89 LEU H H 1 8.342 0 . 1 . . . . A 667 LEU H . 30959 2 1091 . 1 . 1 89 89 LEU HA H 1 4.268 0 . 1 . . . . A 667 LEU HA . 30959 2 1092 . 1 . 1 89 89 LEU HB2 H 1 1.467 0 . 2 . . . . A 667 LEU HB2 . 30959 2 1093 . 1 . 1 89 89 LEU HB3 H 1 1.489 0 . 2 . . . . A 667 LEU HB3 . 30959 2 1094 . 1 . 1 89 89 LEU HG H 1 1.231 0 . 1 . . . . A 667 LEU HG . 30959 2 1095 . 1 . 1 89 89 LEU HD11 H 1 -0.047 0 . 2 . . . . A 667 LEU HD11 . 30959 2 1096 . 1 . 1 89 89 LEU HD12 H 1 -0.047 0 . 2 . . . . A 667 LEU HD12 . 30959 2 1097 . 1 . 1 89 89 LEU HD13 H 1 -0.047 0 . 2 . . . . A 667 LEU HD13 . 30959 2 1098 . 1 . 1 89 89 LEU HD21 H 1 0.064 0 . 2 . . . . A 667 LEU HD21 . 30959 2 1099 . 1 . 1 89 89 LEU HD22 H 1 0.064 0 . 2 . . . . A 667 LEU HD22 . 30959 2 1100 . 1 . 1 89 89 LEU HD23 H 1 0.064 0 . 2 . . . . A 667 LEU HD23 . 30959 2 1101 . 1 . 1 89 89 LEU C C 13 175.835 0 . 1 . . . . A 667 LEU C . 30959 2 1102 . 1 . 1 89 89 LEU CA C 13 55.463 0 . 1 . . . . A 667 LEU CA . 30959 2 1103 . 1 . 1 89 89 LEU CB C 13 41.823 0 . 1 . . . . A 667 LEU CB . 30959 2 1104 . 1 . 1 89 89 LEU CG C 13 25.985 0 . 1 . . . . A 667 LEU CG . 30959 2 1105 . 1 . 1 89 89 LEU CD1 C 13 22.622 0 . 2 . . . . A 667 LEU CD1 . 30959 2 1106 . 1 . 1 89 89 LEU CD2 C 13 24.036 0 . 2 . . . . A 667 LEU CD2 . 30959 2 1107 . 1 . 1 89 89 LEU N N 15 123.917 0 . 1 . . . . A 667 LEU N . 30959 2 1108 . 1 . 1 90 90 SER H H 1 8.326 0 . 1 . . . . A 668 SER H . 30959 2 1109 . 1 . 1 90 90 SER HA H 1 5.867 0 . 1 . . . . A 668 SER HA . 30959 2 1110 . 1 . 1 90 90 SER HB2 H 1 3.284 0 . 2 . . . . A 668 SER HB2 . 30959 2 1111 . 1 . 1 90 90 SER HB3 H 1 3.605 0 . 2 . . . . A 668 SER HB3 . 30959 2 1112 . 1 . 1 90 90 SER C C 13 175.011 0 . 1 . . . . A 668 SER C . 30959 2 1113 . 1 . 1 90 90 SER CA C 13 55.844 0 . 1 . . . . A 668 SER CA . 30959 2 1114 . 1 . 1 90 90 SER CB C 13 68.081 0 . 1 . . . . A 668 SER CB . 30959 2 1115 . 1 . 1 90 90 SER N N 15 115.118 0 . 1 . . . . A 668 SER N . 30959 2 1116 . 1 . 1 91 91 GLN H H 1 8.879 0 . 1 . . . . A 669 GLN H . 30959 2 1117 . 1 . 1 91 91 GLN HA H 1 4.631 0 . 1 . . . . A 669 GLN HA . 30959 2 1118 . 1 . 1 91 91 GLN HB2 H 1 1.658 0 . 2 . . . . A 669 GLN HB2 . 30959 2 1119 . 1 . 1 91 91 GLN HB3 H 1 2.069 0 . 2 . . . . A 669 GLN HB3 . 30959 2 1120 . 1 . 1 91 91 GLN HG2 H 1 2.07 0 . 2 . . . . A 669 GLN HG2 . 30959 2 1121 . 1 . 1 91 91 GLN HG3 H 1 2.315 0 . 2 . . . . A 669 GLN HG3 . 30959 2 1122 . 1 . 1 91 91 GLN HE21 H 1 7.703 0 . 1 . . . . A 669 GLN HE21 . 30959 2 1123 . 1 . 1 91 91 GLN HE22 H 1 6.906 0 . 1 . . . . A 669 GLN HE22 . 30959 2 1124 . 1 . 1 91 91 GLN C C 13 174.564 0 . 1 . . . . A 669 GLN C . 30959 2 1125 . 1 . 1 91 91 GLN CA C 13 55.092 0 . 1 . . . . A 669 GLN CA . 30959 2 1126 . 1 . 1 91 91 GLN CB C 13 33.077 0 . 1 . . . . A 669 GLN CB . 30959 2 1127 . 1 . 1 91 91 GLN CG C 13 32.778 0 . 1 . . . . A 669 GLN CG . 30959 2 1128 . 1 . 1 91 91 GLN CD C 13 179.143 0 . 1 . . . . A 669 GLN CD . 30959 2 1129 . 1 . 1 91 91 GLN N N 15 121.401 0 . 1 . . . . A 669 GLN N . 30959 2 1130 . 1 . 1 91 91 GLN NE2 N 15 112.492 0.007000000145 . 1 . . . . A 669 GLN NE2 . 30959 2 1131 . 1 . 1 92 92 GLN H H 1 8.946 0 . 1 . . . . A 670 GLN H . 30959 2 1132 . 1 . 1 92 92 GLN HA H 1 4.597 0 . 1 . . . . A 670 GLN HA . 30959 2 1133 . 1 . 1 92 92 GLN HB2 H 1 2.017 0 . 2 . . . . A 670 GLN HB2 . 30959 2 1134 . 1 . 1 92 92 GLN HB3 H 1 2.147 0 . 2 . . . . A 670 GLN HB3 . 30959 2 1135 . 1 . 1 92 92 GLN HG2 H 1 2.353 0 . 2 . . . . A 670 GLN HG2 . 30959 2 1136 . 1 . 1 92 92 GLN HG3 H 1 2.449 0 . 2 . . . . A 670 GLN HG3 . 30959 2 1137 . 1 . 1 92 92 GLN HE21 H 1 7.851 0 . 1 . . . . A 670 GLN HE21 . 30959 2 1138 . 1 . 1 92 92 GLN HE22 H 1 6.699 0 . 1 . . . . A 670 GLN HE22 . 30959 2 1139 . 1 . 1 92 92 GLN C C 13 174.956 0 . 1 . . . . A 670 GLN C . 30959 2 1140 . 1 . 1 92 92 GLN CA C 13 57.175 0 . 1 . . . . A 670 GLN CA . 30959 2 1141 . 1 . 1 92 92 GLN CB C 13 28.927 0 . 1 . . . . A 670 GLN CB . 30959 2 1142 . 1 . 1 92 92 GLN CG C 13 34.063 0 . 1 . . . . A 670 GLN CG . 30959 2 1143 . 1 . 1 92 92 GLN CD C 13 180.088 0 . 1 . . . . A 670 GLN CD . 30959 2 1144 . 1 . 1 92 92 GLN N N 15 128.491 0 . 1 . . . . A 670 GLN N . 30959 2 1145 . 1 . 1 92 92 GLN NE2 N 15 112.247 0.0009999992598 . 1 . . . . A 670 GLN NE2 . 30959 2 1146 . 1 . 1 93 93 TRP H H 1 9.114 0 . 1 . . . . A 671 TRP H . 30959 2 1147 . 1 . 1 93 93 TRP HA H 1 4.725 0 . 1 . . . . A 671 TRP HA . 30959 2 1148 . 1 . 1 93 93 TRP HB2 H 1 2.663 0 . 2 . . . . A 671 TRP HB2 . 30959 2 1149 . 1 . 1 93 93 TRP HB3 H 1 2.89 0 . 2 . . . . A 671 TRP HB3 . 30959 2 1150 . 1 . 1 93 93 TRP HD1 H 1 6.569 0 . 1 . . . . A 671 TRP HD1 . 30959 2 1151 . 1 . 1 93 93 TRP HE1 H 1 10.062 0 . 1 . . . . A 671 TRP HE1 . 30959 2 1152 . 1 . 1 93 93 TRP HE3 H 1 7.442 0 . 1 . . . . A 671 TRP HE3 . 30959 2 1153 . 1 . 1 93 93 TRP HZ2 H 1 7.468 0 . 1 . . . . A 671 TRP HZ2 . 30959 2 1154 . 1 . 1 93 93 TRP HZ3 H 1 6.975 0 . 1 . . . . A 671 TRP HZ3 . 30959 2 1155 . 1 . 1 93 93 TRP HH2 H 1 7.186 0 . 1 . . . . A 671 TRP HH2 . 30959 2 1156 . 1 . 1 93 93 TRP C C 13 173.328 0 . 1 . . . . A 671 TRP C . 30959 2 1157 . 1 . 1 93 93 TRP CA C 13 57.098 0 . 1 . . . . A 671 TRP CA . 30959 2 1158 . 1 . 1 93 93 TRP CB C 13 33.142 0 . 1 . . . . A 671 TRP CB . 30959 2 1159 . 1 . 1 93 93 TRP CD1 C 13 125.977 0 . 1 . . . . A 671 TRP CD1 . 30959 2 1160 . 1 . 1 93 93 TRP CE3 C 13 120.034 0 . 1 . . . . A 671 TRP CE3 . 30959 2 1161 . 1 . 1 93 93 TRP CZ2 C 13 114.784 0 . 1 . . . . A 671 TRP CZ2 . 30959 2 1162 . 1 . 1 93 93 TRP CZ3 C 13 121.594 0 . 1 . . . . A 671 TRP CZ3 . 30959 2 1163 . 1 . 1 93 93 TRP CH2 C 13 124.23 0 . 1 . . . . A 671 TRP CH2 . 30959 2 1164 . 1 . 1 93 93 TRP N N 15 125.745 0 . 1 . . . . A 671 TRP N . 30959 2 1165 . 1 . 1 93 93 TRP NE1 N 15 128.594 0 . 1 . . . . A 671 TRP NE1 . 30959 2 1166 . 1 . 1 94 94 PHE H H 1 7.857 0 . 1 . . . . A 672 PHE H . 30959 2 1167 . 1 . 1 94 94 PHE HA H 1 4.812 0 . 1 . . . . A 672 PHE HA . 30959 2 1168 . 1 . 1 94 94 PHE HB2 H 1 2.579 0 . 2 . . . . A 672 PHE HB2 . 30959 2 1169 . 1 . 1 94 94 PHE HB3 H 1 2.751 0 . 2 . . . . A 672 PHE HB3 . 30959 2 1170 . 1 . 1 94 94 PHE HD1 H 1 6.928 0 . 3 . . . . A 672 PHE HD1 . 30959 2 1171 . 1 . 1 94 94 PHE HD2 H 1 6.928 0 . 3 . . . . A 672 PHE HD2 . 30959 2 1172 . 1 . 1 94 94 PHE HE1 H 1 7.179 0 . 3 . . . . A 672 PHE HE1 . 30959 2 1173 . 1 . 1 94 94 PHE HE2 H 1 7.179 0 . 3 . . . . A 672 PHE HE2 . 30959 2 1174 . 1 . 1 94 94 PHE C C 13 173.277 0 . 1 . . . . A 672 PHE C . 30959 2 1175 . 1 . 1 94 94 PHE CA C 13 56.588 0 . 1 . . . . A 672 PHE CA . 30959 2 1176 . 1 . 1 94 94 PHE CB C 13 39.034 0 . 1 . . . . A 672 PHE CB . 30959 2 1177 . 1 . 1 94 94 PHE CD1 C 13 131.698 0 . 3 . . . . A 672 PHE CD1 . 30959 2 1178 . 1 . 1 94 94 PHE CD2 C 13 131.698 0 . 3 . . . . A 672 PHE CD2 . 30959 2 1179 . 1 . 1 94 94 PHE CE1 C 13 131.539 0 . 3 . . . . A 672 PHE CE1 . 30959 2 1180 . 1 . 1 94 94 PHE CE2 C 13 131.539 0 . 3 . . . . A 672 PHE CE2 . 30959 2 1181 . 1 . 1 94 94 PHE N N 15 130.298 0 . 1 . . . . A 672 PHE N . 30959 2 1182 . 1 . 1 95 95 GLN H H 1 8.532 0 . 1 . . . . A 673 GLN H . 30959 2 1183 . 1 . 1 95 95 GLN HA H 1 4.308 0 . 1 . . . . A 673 GLN HA . 30959 2 1184 . 1 . 1 95 95 GLN HB2 H 1 1.735 0 . 2 . . . . A 673 GLN HB2 . 30959 2 1185 . 1 . 1 95 95 GLN HB3 H 1 2.282 0 . 2 . . . . A 673 GLN HB3 . 30959 2 1186 . 1 . 1 95 95 GLN HG2 H 1 2.046 0 . 2 . . . . A 673 GLN HG2 . 30959 2 1187 . 1 . 1 95 95 GLN HG3 H 1 2.046 0 . 2 . . . . A 673 GLN HG3 . 30959 2 1188 . 1 . 1 95 95 GLN HE21 H 1 7.577 0 . 1 . . . . A 673 GLN HE21 . 30959 2 1189 . 1 . 1 95 95 GLN HE22 H 1 7.266 0 . 1 . . . . A 673 GLN HE22 . 30959 2 1190 . 1 . 1 95 95 GLN C C 13 174.819 0 . 1 . . . . A 673 GLN C . 30959 2 1191 . 1 . 1 95 95 GLN CA C 13 53.059 0 . 1 . . . . A 673 GLN CA . 30959 2 1192 . 1 . 1 95 95 GLN CB C 13 29.611 0 . 1 . . . . A 673 GLN CB . 30959 2 1193 . 1 . 1 95 95 GLN CG C 13 32.523 0 . 1 . . . . A 673 GLN CG . 30959 2 1194 . 1 . 1 95 95 GLN CD C 13 180.782 0 . 1 . . . . A 673 GLN CD . 30959 2 1195 . 1 . 1 95 95 GLN N N 15 128.945 0 . 1 . . . . A 673 GLN N . 30959 2 1196 . 1 . 1 95 95 GLN NE2 N 15 116.4535 0.005500000104 . 1 . . . . A 673 GLN NE2 . 30959 2 1197 . 1 . 1 96 96 LYS H H 1 8.68 0 . 1 . . . . A 674 LYS H . 30959 2 1198 . 1 . 1 96 96 LYS HA H 1 4.16 0 . 1 . . . . A 674 LYS HA . 30959 2 1199 . 1 . 1 96 96 LYS HB2 H 1 1.894 0 . 2 . . . . A 674 LYS HB2 . 30959 2 1200 . 1 . 1 96 96 LYS HB3 H 1 1.894 0 . 2 . . . . A 674 LYS HB3 . 30959 2 1201 . 1 . 1 96 96 LYS HG2 H 1 1.491 0 . 2 . . . . A 674 LYS HG2 . 30959 2 1202 . 1 . 1 96 96 LYS HG3 H 1 1.491 0 . 2 . . . . A 674 LYS HG3 . 30959 2 1203 . 1 . 1 96 96 LYS HD2 H 1 1.726 0 . 2 . . . . A 674 LYS HD2 . 30959 2 1204 . 1 . 1 96 96 LYS HD3 H 1 1.728 0 . 2 . . . . A 674 LYS HD3 . 30959 2 1205 . 1 . 1 96 96 LYS HE2 H 1 3.021 0 . 2 . . . . A 674 LYS HE2 . 30959 2 1206 . 1 . 1 96 96 LYS HE3 H 1 3.021 0 . 2 . . . . A 674 LYS HE3 . 30959 2 1207 . 1 . 1 96 96 LYS C C 13 175.988 0 . 1 . . . . A 674 LYS C . 30959 2 1208 . 1 . 1 96 96 LYS CA C 13 56.827 0 . 1 . . . . A 674 LYS CA . 30959 2 1209 . 1 . 1 96 96 LYS CB C 13 33.098 0 . 1 . . . . A 674 LYS CB . 30959 2 1210 . 1 . 1 96 96 LYS CG C 13 24.462 0 . 1 . . . . A 674 LYS CG . 30959 2 1211 . 1 . 1 96 96 LYS CD C 13 29.435 0 . 1 . . . . A 674 LYS CD . 30959 2 1212 . 1 . 1 96 96 LYS CE C 13 42.031 0 . 1 . . . . A 674 LYS CE . 30959 2 1213 . 1 . 1 96 96 LYS N N 15 129.749 0 . 1 . . . . A 674 LYS N . 30959 2 1214 . 1 . 1 97 97 GLY H H 1 8.406 0 . 1 . . . . A 675 GLY H . 30959 2 1215 . 1 . 1 97 97 GLY HA2 H 1 4.052 0 . 2 . . . . A 675 GLY HA2 . 30959 2 1216 . 1 . 1 97 97 GLY HA3 H 1 4.055 0 . 2 . . . . A 675 GLY HA3 . 30959 2 1217 . 1 . 1 97 97 GLY C C 13 173.613 0 . 1 . . . . A 675 GLY C . 30959 2 1218 . 1 . 1 97 97 GLY CA C 13 44.73 0 . 1 . . . . A 675 GLY CA . 30959 2 1219 . 1 . 1 97 97 GLY N N 15 108.268 0 . 1 . . . . A 675 GLY N . 30959 2 1220 . 1 . 1 98 98 SER H H 1 8.466 0 . 1 . . . . A 676 SER H . 30959 2 1221 . 1 . 1 98 98 SER HA H 1 4.565 0 . 1 . . . . A 676 SER HA . 30959 2 1222 . 1 . 1 98 98 SER HB2 H 1 3.881 0 . 2 . . . . A 676 SER HB2 . 30959 2 1223 . 1 . 1 98 98 SER HB3 H 1 3.896 0 . 2 . . . . A 676 SER HB3 . 30959 2 1224 . 1 . 1 98 98 SER C C 13 175.091 0 . 1 . . . . A 676 SER C . 30959 2 1225 . 1 . 1 98 98 SER CA C 13 58.276 0 . 1 . . . . A 676 SER CA . 30959 2 1226 . 1 . 1 98 98 SER CB C 13 64.086 0 . 1 . . . . A 676 SER CB . 30959 2 1227 . 1 . 1 98 98 SER N N 15 115.452 0 . 1 . . . . A 676 SER N . 30959 2 1228 . 1 . 1 99 99 THR H H 1 8.567 0 . 1 . . . . A 677 THR H . 30959 2 1229 . 1 . 1 99 99 THR HA H 1 4.391 0 . 1 . . . . A 677 THR HA . 30959 2 1230 . 1 . 1 99 99 THR HB H 1 4.279 0 . 1 . . . . A 677 THR HB . 30959 2 1231 . 1 . 1 99 99 THR HG21 H 1 1.223 0 . 1 . . . . A 677 THR HG21 . 30959 2 1232 . 1 . 1 99 99 THR HG22 H 1 1.223 0 . 1 . . . . A 677 THR HG22 . 30959 2 1233 . 1 . 1 99 99 THR HG23 H 1 1.223 0 . 1 . . . . A 677 THR HG23 . 30959 2 1234 . 1 . 1 99 99 THR C C 13 174.664 0 . 1 . . . . A 677 THR C . 30959 2 1235 . 1 . 1 99 99 THR CA C 13 62.034 0 . 1 . . . . A 677 THR CA . 30959 2 1236 . 1 . 1 99 99 THR CB C 13 69.719 0 . 1 . . . . A 677 THR CB . 30959 2 1237 . 1 . 1 99 99 THR CG2 C 13 21.67 0 . 1 . . . . A 677 THR CG2 . 30959 2 1238 . 1 . 1 99 99 THR N N 15 116.71 0 . 1 . . . . A 677 THR N . 30959 2 1239 . 1 . 1 100 100 ILE H H 1 8.169 0 . 1 . . . . A 678 ILE H . 30959 2 1240 . 1 . 1 100 100 ILE HA H 1 4.195 0 . 1 . . . . A 678 ILE HA . 30959 2 1241 . 1 . 1 100 100 ILE HB H 1 1.882 0 . 1 . . . . A 678 ILE HB . 30959 2 1242 . 1 . 1 100 100 ILE HG12 H 1 1.219 0 . 2 . . . . A 678 ILE HG12 . 30959 2 1243 . 1 . 1 100 100 ILE HG13 H 1 1.509 0 . 2 . . . . A 678 ILE HG13 . 30959 2 1244 . 1 . 1 100 100 ILE HG21 H 1 0.933 0 . 1 . . . . A 678 ILE HG21 . 30959 2 1245 . 1 . 1 100 100 ILE HG22 H 1 0.933 0 . 1 . . . . A 678 ILE HG22 . 30959 2 1246 . 1 . 1 100 100 ILE HG23 H 1 0.933 0 . 1 . . . . A 678 ILE HG23 . 30959 2 1247 . 1 . 1 100 100 ILE HD11 H 1 0.9 0 . 1 . . . . A 678 ILE HD11 . 30959 2 1248 . 1 . 1 100 100 ILE HD12 H 1 0.9 0 . 1 . . . . A 678 ILE HD12 . 30959 2 1249 . 1 . 1 100 100 ILE HD13 H 1 0.9 0 . 1 . . . . A 678 ILE HD13 . 30959 2 1250 . 1 . 1 100 100 ILE C C 13 176.705 0 . 1 . . . . A 678 ILE C . 30959 2 1251 . 1 . 1 100 100 ILE CA C 13 61.509 0 . 1 . . . . A 678 ILE CA . 30959 2 1252 . 1 . 1 100 100 ILE CB C 13 38.631 0 . 1 . . . . A 678 ILE CB . 30959 2 1253 . 1 . 1 100 100 ILE CG1 C 13 27.359 0 . 1 . . . . A 678 ILE CG1 . 30959 2 1254 . 1 . 1 100 100 ILE CG2 C 13 17.47 0 . 1 . . . . A 678 ILE CG2 . 30959 2 1255 . 1 . 1 100 100 ILE CD1 C 13 12.943 0 . 1 . . . . A 678 ILE CD1 . 30959 2 1256 . 1 . 1 100 100 ILE N N 15 123.047 0 . 1 . . . . A 678 ILE N . 30959 2 1257 . 1 . 1 101 101 GLY H H 1 8.54 0 . 1 . . . . A 679 GLY H . 30959 2 1258 . 1 . 1 101 101 GLY HA2 H 1 3.951 0 . 2 . . . . A 679 GLY HA2 . 30959 2 1259 . 1 . 1 101 101 GLY HA3 H 1 3.953 0 . 2 . . . . A 679 GLY HA3 . 30959 2 1260 . 1 . 1 101 101 GLY C C 13 173.207 0 . 1 . . . . A 679 GLY C . 30959 2 1261 . 1 . 1 101 101 GLY CA C 13 45.492 0 . 1 . . . . A 679 GLY CA . 30959 2 1262 . 1 . 1 101 101 GLY N N 15 113.662 0 . 1 . . . . A 679 GLY N . 30959 2 1263 . 1 . 1 102 102 ARG H H 1 7.824 0 . 1 . . . . A 680 ARG H . 30959 2 1264 . 1 . 1 102 102 ARG HA H 1 4.22 0 . 1 . . . . A 680 ARG HA . 30959 2 1265 . 1 . 1 102 102 ARG HB2 H 1 1.719 0 . 2 . . . . A 680 ARG HB2 . 30959 2 1266 . 1 . 1 102 102 ARG HB3 H 1 1.886 0 . 2 . . . . A 680 ARG HB3 . 30959 2 1267 . 1 . 1 102 102 ARG HG2 H 1 1.588 0 . 2 . . . . A 680 ARG HG2 . 30959 2 1268 . 1 . 1 102 102 ARG HG3 H 1 1.588 0 . 2 . . . . A 680 ARG HG3 . 30959 2 1269 . 1 . 1 102 102 ARG HD2 H 1 3.18 0 . 2 . . . . A 680 ARG HD2 . 30959 2 1270 . 1 . 1 102 102 ARG HD3 H 1 3.18 0 . 2 . . . . A 680 ARG HD3 . 30959 2 1271 . 1 . 1 102 102 ARG HE H 1 7.219 0 . 1 . . . . A 680 ARG HE . 30959 2 1272 . 1 . 1 102 102 ARG C C 13 181.011 0 . 1 . . . . A 680 ARG C . 30959 2 1273 . 1 . 1 102 102 ARG CA C 13 57.262 0 . 1 . . . . A 680 ARG CA . 30959 2 1274 . 1 . 1 102 102 ARG CB C 13 31.612 0 . 1 . . . . A 680 ARG CB . 30959 2 1275 . 1 . 1 102 102 ARG CG C 13 27.159 0 . 1 . . . . A 680 ARG CG . 30959 2 1276 . 1 . 1 102 102 ARG CD C 13 43.499 0 . 1 . . . . A 680 ARG CD . 30959 2 1277 . 1 . 1 102 102 ARG CZ C 13 159.572 0 . 1 . . . . A 680 ARG CZ . 30959 2 1278 . 1 . 1 102 102 ARG N N 15 125.707 0 . 1 . . . . A 680 ARG N . 30959 2 1279 . 1 . 1 102 102 ARG NE N 15 85.196 0 . 1 . . . . A 680 ARG NE . 30959 2 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 30959 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 1 103000000 . 21600000 . 7.857 . 130.298 . A 672 PHE H A 672 PHE N 1 . ' 672PheH,N ' 'No original number' 2 2 2 108000000 . 20800000 . 8.68 . 129.749 . A 674 LYS H A 674 LYS N 1 . ' 674LysH,N ' 'No original number' 2 3 3 121000000 . 25000000 . 10.141 . 129.219 . A 592 TRP HE1 A 592 TRP NE1 1 . ' 592TrpHe1,Ne1 ' 'No original number' 2 4 4 95200000 . 16900000 . 8.532 . 128.945 . A 673 GLN H A 673 GLN N 1 . ' 673GlnH,N ' 'No original number' 2 5 5 98400000 . 17700000 . 10.062 . 128.594 . A 671 TRP HE1 A 671 TRP NE1 1 . ' 671TrpHe1,Ne1 ' 'No original number' 2 6 6 119000000 . 22100000 . 8.946 . 128.491 . A 670 GLN H A 670 GLN N 1 . ' 670GlnH,N ' 'No original number' 2 7 7 92400000 . 16300000 . 8.711 . 127.048 . A 662 ILE H A 662 ILE N 1 . ' 662IleH,N ' 'No original number' 2 8 8 84200000 . 16500000 . 9.448 . 126.804 . A 625 ALA H A 625 ALA N 1 . ' 625AlaH,N ' 'No original number' 2 9 9 76600000 . 14000000 . 8.667 . 126.656 . A 637 ILE H A 637 ILE N 1 . ' 637IleH,N ' 'No original number' 2 10 10 71400000 . 12400000 . 8.42 . 126.531 . A 619 ILE H A 619 ILE N 1 . ' 619IleH,N ' 'No original number' 2 11 11 98500000 . 19500000 . 8.562 . 126.335 . A 666 ASP H A 666 ASP N 1 . ' 666AspH,N ' 'No original number' 2 12 12 81900000 . 15200000 . 8.234 . 126.356 . A 652 GLU H A 652 GLU N 1 . ' 652GluH,N ' 'No original number' 2 13 13 103000000 . 20000000 . 7.967 . 126.348 . A 651 ILE H A 651 ILE N 1 . ' 651IleH,N ' 'No original number' 2 14 14 77400000 . 14400000 . 9.024 . 126.081 . A 593 LYS H A 593 LYS N 1 . ' 593LysH,N ' 'No original number' 2 15 15 77600000 . 14300000 . 8.852 . 125.934 . A 632 ASN H A 632 ASN N 1 . ' 632AsnH,N ' 'No original number' 2 16 16 131000000 . 25200000 . 8.879 . 125.857 . A 636 LEU H A 636 LEU N 1 . ' 636LeuH,N ' 'No original number' 2 17 17 107000000 . 20600000 . 9.114 . 125.745 . A 671 TRP H A 671 TRP N 1 . ' 671TrpH,N ' 'No original number' 2 18 18 343000000 . 82500000 . 7.824 . 125.707 . A 680 ARG H A 680 ARG N 1 . ' 680ArgH,N ' 'No original number' 2 19 19 109000000 . 20500000 . 8.659 . 125.259 . A 655 LEU H A 655 LEU N 1 . ' 655LeuH,N ' 'No original number' 2 20 20 107000000 . 22200000 . 8.488 . 124.911 . A 587 LYS H A 587 LYS N 1 . ' 587LysH,N ' 'No original number' 2 21 21 64400000 . 11500000 . 9.584 . 124.694 . A 585 CYS H A 585 CYS N 1 . ' 585CysH,N ' 'No original number' 2 22 22 128000000 . 23600000 . 8.251 . 124.478 . A 635 MET H A 635 MET N 1 . ' 635MetH,N ' 'No original number' 2 23 23 110000000 . 21800000 . 8.137 . 124.459 . A 644 GLU H A 644 GLU N 1 . ' 644GluH,N ' 'No original number' 2 24 24 75100000 . 14100000 . 9.848 . 124.348 . A 614 ASP H A 614 ASP N 1 . ' 614AspH,N ' 'No original number' 2 25 25 132000000 . 25700000 . 7.938 . 124.357 . A 621 VAL H A 621 VAL N 1 . ' 621ValH,N ' 'No original number' 2 26 26 120000000 . 21100000 . 9.136 . 124.254 . A 622 ARG H A 622 ARG N 1 . ' 622ArgH,N ' 'No original number' 2 27 27 124000000 . 23400000 . 8.409 . 124.218 . A 650 PHE H A 650 PHE N 1 . ' 650PheH,N ' 'No original number' 2 28 28 108000000 . 19600000 . 9.064 . 124.044 . A 663 TYR H A 663 TYR N 1 . ' 663TyrH,N ' 'No original number' 2 29 29 127000000 . 24500000 . 8.342 . 123.917 . A 667 LEU H A 667 LEU N 1 . ' 667LeuH,N ' 'No original number' 2 30 30 141000000 . 26000000 . 8.44 . 123.886 . A 598 ASP H A 598 ASP N 1 . ' 598AspH,N ' 'No original number' 2 31 31 87800000 . 15000000 . 8.939 . 123.735 . A 660 ASN H A 660 ASN N 1 . ' 660AsnH,N ' 'No original number' 2 32 32 85700000 . 14900000 . 8.758 . 123.47 . A 643 ILE H A 643 ILE N 1 . ' 643IleH,N ' 'No original number' 2 33 33 111000000 . 20200000 . 8.389 . 123.108 . A 664 VAL H A 664 VAL N 1 . ' 664ValH,N ' 'No original number' 2 34 34 106000000 . 20200000 . 9.327 . 123.039 . A 653 MET H A 653 MET N 1 . ' 653MetH,N ' 'No original number' 2 35 35 111000000 . 21200000 . 8.813 . 123.067 . A 610 TYR H A 610 TYR N 1 . ' 610TyrH,N ' 'No original number' 2 36 36 317000000 . 76300000 . 8.169 . 123.047 . A 678 ILE H A 678 ILE N 1 . ' 678IleH,N ' 'No original number' 2 37 37 62300000 . 9800000 . 8.768 . 122.531 . A 586 ASP H A 586 ASP N 1 . ' 586AspH,N ' 'No original number' 2 38 38 92800000 . 17200000 . 8.978 . 122.44 . A 599 SER H A 599 SER N 1 . ' 599SerH,N ' 'No original number' 2 39 39 155000000 . 33400000 . 7.784 . 122.464 . A 634 ALA H A 634 ALA N 1 . ' 634AlaH,N ' 'No original number' 2 40 40 77600000 . 16100000 . 8.11 . 122.062 . A 582 TYR H A 582 TYR N 1 . ' 582TyrH,N ' 'No original number' 2 41 41 106000000 . 20100000 . 9.273 . 121.891 . A 604 VAL H A 604 VAL N 1 . ' 604ValH,N ' 'No original number' 2 42 42 101000000 . 18400000 . 9.614 . 121.593 . A 661 ILE H A 661 ILE N 1 . ' 661IleH,N ' 'No original number' 2 43 43 137000000 . 25000000 . 8.933 . 121.576 . A 592 TRP H A 592 TRP N 1 . ' 592TrpH,N ' 'No original number' 2 44 44 99900000 . 17800000 . 9.31 . 121.536 . A 654 GLN H A 654 GLN N 1 . ' 654GlnH,N ' 'No original number' 2 45 45 99800000 . 20400000 . 8.879 . 121.401 . A 669 GLN H A 669 GLN N 1 . ' 669GlnH,N ' 'No original number' 2 46 46 108000000 . 22100000 . 7.161 . 121.378 . A 589 LYS H A 589 LYS N 1 . ' 589LysH,N ' 'No original number' 2 47 47 134000000 . 26100000 . 8.716 . 121.232 . A 584 MET H A 584 MET N 1 . ' 584MetH,N ' 'No original number' 2 48 48 68300000 . 14000000 . 6.861 . 120.799 . A 631 ILE H A 631 ILE N 1 . ' 631IleH,N ' 'No original number' 2 49 49 77200000 . 13700000 . 9.111 . 120.538 . A 618 ARG H A 618 ARG N 1 . ' 618ArgH,N ' 'No original number' 2 50 50 116000000 . 23800000 . 8.694 . 120.245 . A 594 ARG H A 594 ARG N 1 . ' 594ArgH,N ' 'No original number' 2 51 51 128000000 . 20400000 . 8.564 . 120.245 . A 597 VAL H A 597 VAL N 1 . ' 597ValH,N ' 'No original number' 2 52 52 128000000 . 25300000 . 7.943 . 120.244 . A 628 VAL H A 628 VAL N 1 . ' 628ValH,N ' 'No original number' 2 53 53 146000000 . 32600000 . 8.444 . 119.981 . A 659 ASP H A 659 ASP N 1 . ' 659AspH,N ' 'No original number' 2 54 54 116000000 . 21900000 . 8.757 . 119.91 . A 626 HIS H A 626 HIS N 1 . ' 626HisH,N ' 'No original number' 2 55 55 88400000 . 17000000 . 9.061 . 119.532 . A 633 VAL H A 633 VAL N 1 . ' 633ValH,N ' 'No original number' 2 56 56 152000000 . 32100000 . 7.959 . 119.299 . A 595 VAL H A 595 VAL N 1 . ' 595ValH,N ' 'No original number' 2 57 57 120000000 . 22400000 . 8.599 . 119.159 . A 642 THR H A 642 THR N 1 . ' 642ThrH,N ' 'No original number' 2 58 58 138000000 . 26200000 . 8.541 . 119.208 . A 623 ALA H A 623 ALA N 1 . ' 623AlaH,N ' 'No original number' 2 59 59 101000000 . 18200000 . 9.143 . 118.625 . A 608 VAL H A 608 VAL N 1 . ' 608ValH,N ' 'No original number' 2 60 60 134000000 . 22500000 . 8.56 . 118.597 . A 605 VAL H A 605 VAL N 1 . ' 605ValH,N ' 'No original number' 2 61 61 137000000 . 30400000 . 8.539 . 117.537 . A 591 LYS H A 591 LYS N 1 . ' 591LysH,N ' 'No original number' 2 62 62 121000000 . 20900000 . 9.503 . 117.459 . A 607 GLU H A 607 GLU N 1 . ' 607GluH,N ' 'No original number' 2 63 63 78200000 . 13900000 . 8.725 . 117.361 . A 583 SER H A 583 SER N 1 . ' 583SerH,N ' 'No original number' 2 64 64 131000000 . 26200000 . 8.627 . 116.949 . A 590 PHE H A 590 PHE N 1 . ' 590PheH,N ' 'No original number' 2 65 65 95000000 . 19900000 . 8.043 . 116.939 . A 601 HIS H A 601 HIS N 1 . ' 601HisH,N ' 'No original number' 2 66 66 112000000 . 22100000 . 9.414 . 116.711 . A 602 ASP H A 602 ASP N 1 . ' 602AspH,N ' 'No original number' 2 67 67 212000000 . 46200000 . 8.567 . 116.71 . A 677 THR H A 677 THR N 1 . ' 677ThrH,N ' 'No original number' 2 68 68 154000000 . 28800000 . 7.178 . 116.538 . A 615 LYS H A 615 LYS N 1 . ' 615LysH,N ' 'No original number' 2 69 69 119000000 . 23600000 . 9.299 . 116.465 . A 609 SER H A 609 SER N 1 . ' 609SerH,N ' 'No original number' 2 70 70 44900000 . 8530000 . 7.577 . 116.448 . A 673 GLN HE21 A 673 GLN NE2 1 . ' 673GlnHe21,Ne2 ' 'No original number' 2 71 71 52100000 . 9780000 . 7.266 . 116.459 . A 673 GLN HE22 A 673 GLN NE2 1 . ' 673GlnHe22,Ne2 ' 'No original number' 2 72 72 92300000 . 18200000 . 8.427 . 116.15 . A 611 THR H A 611 THR N 1 . ' 611ThrH,N ' 'No original number' 2 73 73 199000000 . 41100000 . 8.466 . 115.452 . A 676 SER H A 676 SER N 1 . ' 676SerH,N ' 'No original number' 2 74 74 124000000 . 23900000 . 8.732 . 115.268 . A 640 ASN H A 640 ASN N 1 . ' 640AsnH,N ' 'No original number' 2 75 75 64400000 . 14700000 . 8.15 . 115.173 . A 581 THR H A 581 THR N 1 . ' 581ThrH,N ' 'No original number' 2 76 76 129000000 . 22600000 . 8.326 . 115.118 . A 668 SER H A 668 SER N 1 . ' 668SerH,N ' 'No original number' 2 77 77 119000000 . 23900000 . 8.068 . 114.82 . A 606 MET H A 606 MET N 1 . ' 606MetH,N ' 'No original number' 2 78 78 107000000 . 22300000 . 8.486 . 113.909 . A 617 CYS H A 617 CYS N 1 . ' 617CysH,N ' 'No original number' 2 79 79 125000000 . 22500000 . 9.149 . 113.739 . A 645 THR H A 645 THR N 1 . ' 645ThrH,N ' 'No original number' 2 80 80 317000000 . 76900000 . 8.54 . 113.662 . A 679 GLY H A 679 GLY N 1 . ' 679GlyH,N ' 'No original number' 2 81 81 54800000 . 11000000 . 7.729 . 113.556 . A 632 ASN HD22 A 632 ASN ND2 1 . ' 632AsnHd22,Nd2 ' 'No original number' 2 82 82 49200000 . 9820000 . 7.328 . 113.559 . A 632 ASN HD21 A 632 ASN ND2 1 . ' 632AsnHd21,Nd2 ' 'No original number' 2 83 83 109000000 . 21800000 . 9.121 . 113.426 . A 624 VAL H A 624 VAL N 1 . ' 624ValH,N ' 'No original number' 2 84 84 84500000 . 15900000 . 8.659 . 113.402 . A 613 SER H A 613 SER N 1 . ' 613SerH,N ' 'No original number' 2 85 85 98200000 . 19400000 . 7.68 . 113.184 . A 640 ASN HD21 A 640 ASN ND2 1 . ' 640AsnHd21,Nd2 ' 'No original number' 2 86 86 77700000 . 15200000 . 6.744 . 113.188 . A 640 ASN HD22 A 640 ASN ND2 1 . ' 640AsnHd22,Nd2 ' 'No original number' 2 87 87 64400000 . 18800000 . 7.574 . 113.073 . A 580 ASN HD21 A 580 ASN ND2 1 . ' 580AsnHd21,Nd2 ' 'No original number' 2 88 88 65400000 . 11700000 . 6.894 . 113.045 . A 580 ASN HD22 A 580 ASN ND2 1 . ' 580AsnHd22,Nd2 ' 'No original number' 2 89 89 169000000 . 29900000 . 7.712 . 112.555 . A 646 SER H A 646 SER N 1 . ' 646SerH,N ' 'No original number' 2 90 90 182000000 . 34300000 . 7.703 . 112.499 . A 669 GLN HE21 A 669 GLN NE2 1 . ' 669GlnHe21,Ne2 ' 'No original number' 2 91 91 117000000 . 24500000 . 6.906 . 112.485 . A 669 GLN HE22 A 669 GLN NE2 1 . ' 669GlnHe22,Ne2 ' 'No original number' 2 92 92 155000000 . 40200000 . 7.851 . 112.246 . A 670 GLN HE21 A 670 GLN NE2 1 . ' 670GlnHe21,Ne2 ' 'No original number' 2 93 93 153000000 . 37600000 . 6.699 . 112.248 . A 670 GLN HE22 A 670 GLN NE2 1 . ' 670GlnHe22,Ne2 ' 'No original number' 2 94 94 86200000 . 16800000 . 9.18 . 111.661 . A 588 THR H A 588 THR N 1 . ' 588ThrH,N ' 'No original number' 2 95 95 131000000 . 24800000 . 6.819 . 111.618 . A 654 GLN HE21 A 654 GLN NE2 1 . ' 654GlnHe21,Ne2 ' 'No original number' 2 96 96 36300000 . 6940000 . 5.775 . 111.646 . A 660 ASN HD21 A 660 ASN ND2 1 . ' 660AsnHd21,Nd2 ' 'No original number' 2 97 97 115000000 . 22500000 . 7.524 . 111.583 . A 654 GLN HE22 A 654 GLN NE2 1 . ' 654GlnHe22,Ne2 ' 'No original number' 2 98 98 71000000 . 12500000 . 8.836 . 111.39 . A 627 GLY H A 627 GLY N 1 . ' 627GlyH,N ' 'No original number' 2 99 99 105000000 . 21900000 . 8.132 . 111.207 . A 665 GLY H A 665 GLY N 1 . ' 665GlyH,N ' 'No original number' 2 100 100 114000000 . 20400000 . 7.514 . 111.176 . A 638 THR H A 638 THR N 1 . ' 638ThrH,N ' 'No original number' 2 101 101 97500000 . 19800000 . 8.948 . 110.859 . A 600 GLY H A 600 GLY N 1 . ' 600GlyH,N ' 'No original number' 2 102 102 80900000 . 16500000 . 8.86 . 110.85 . A 658 GLY H A 658 GLY N 1 . ' 658GlyH,N ' 'No original number' 2 103 103 118000000 . 25400000 . 8.047 . 109.918 . A 647 GLY H A 647 GLY N 1 . ' 647GlyH,N ' 'No original number' 2 104 104 135000000 . 29400000 . 8.381 . 108.486 . A 648 GLY H A 648 GLY N 1 . ' 648GlyH,N ' 'No original number' 2 105 105 169000000 . 31100000 . 8.406 . 108.268 . A 675 GLY H A 675 GLY N 1 . ' 675GlyH,N ' 'No original number' 2 106 106 114000000 . 23700000 . 8.79 . 106.607 . A 649 GLY H A 649 GLY N 1 . ' 649GlyH,N ' 'No original number' 2 107 107 85600000 . 16100000 . 7.496 . 106.179 . A 630 THR H A 630 THR N 1 . ' 630ThrH,N ' 'No original number' 2 108 108 96400000 . 18400000 . 5.045 . 105.941 . A 612 GLY H A 612 GLY N 1 . ' 612GlyH,N ' 'No original number' 2 109 109 116000000 . 21600000 . 7.13 . 105.528 . A 603 THR H A 603 THR N 1 . ' 603ThrH,N ' 'No original number' 2 110 110 96400000 . 15800000 . 6.808 . 111.647 . A 660 ASN HD22 A 660 ASN ND2 1 . ' 660AsnHd22,Nd2 ' 'No original number' 2 111 111 69700000 . 14000000 . 6.883 . 83.984 . A 622 ARG HE A 622 ARG NE 1 . ' 622ArgHe,Ne ' 'No original number' 2 112 112 50800000 . 9900000 . 7.167 . 84.512 . A 618 ARG HE A 618 ARG NE 1 . ' 618ArgHe,Ne ' 'No original number' 2 113 113 93200000 . 20400000 . 7.219 . 85.196 . A 680 ARG HE A 680 ARG NE 1 . ' 680ArgHe,Ne ' 'No original number' 2 114 114 92000000 . 17700000 . 7.517 . 84.636 . A 594 ARG HE A 594 ARG NE 1 . ' 594ArgHe,Ne ' 'No original number' 2 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . folded 6.980216511 ppm . . . 8.28329847 . . 30959 1 2 . . N 15 N . folded 30.00259036 ppm . . . 118.11000062 . . 30959 1 stop_ save_