data_52237 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52237 _Entry.Title ; 1H, 13C and 15N backbone and sidechain assignment of the BRCT domain of Mtb LigA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-12-12 _Entry.Accession_date 2023-12-12 _Entry.Last_release_date 2023-12-12 _Entry.Original_release_date 2023-12-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Jayanti Vaishnav . . . . 52237 2 Ravi Ampapathi . S. . 0000-0003-1637-7630 52237 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'CSIR-Central Drug Research Institute' . 52237 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52237 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 340 52237 '15N chemical shifts' 84 52237 '1H chemical shifts' 556 52237 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-01-15 . original BMRB . 52237 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52237 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N & 13C resonance Backbone and side-chain assignments and secondary structure determination of the MtbLigA BRCT Domain ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jayanti Vaishnav . . . . 52237 1 2 Ravi Ampapathi . S. . . 52237 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52237 _Assembly.ID 1 _Assembly.Name 'BRCT domain of Mtb LigA' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'C-terminal BRCT domain of NAD dependent DNA LigaseA of Mycobacterium tuberculosis' _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 BRCT 1 $entity_1 . . yes native no no . . . 52237 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52237 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASMTGGQQMGRGSEFDESV PRTLAGLTIVVTGSLTGFSR DDAKEAIVARGGKAAGSVSK KTNYVVAGDSPGSKYDKAVE LGVPILDEDGFRRLLADGPA SRTKLAAALEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-16 i.e., first sixteen residues are from cloning vector; D17 to T103 in provided sequence is BRCT domain corresponding to native sequence for BRCT domain of M.tb LigA that starts from ASP 605 and runs uptil THR 691. Residues K104 to H116 are again from cloning vector containing 6X-HIS tag. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'BRCT domain of Mtb LigA' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes Uniprot P9WNV1 . 'DNA ligase A' . . . . . . . . . . . . . . 52237 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 52237 1 2 . ALA . 52237 1 3 . SER . 52237 1 4 . MET . 52237 1 5 . THR . 52237 1 6 . GLY . 52237 1 7 . GLY . 52237 1 8 . GLN . 52237 1 9 . GLN . 52237 1 10 . MET . 52237 1 11 . GLY . 52237 1 12 . ARG . 52237 1 13 . GLY . 52237 1 14 . SER . 52237 1 15 . GLU . 52237 1 16 . PHE . 52237 1 17 605 ASP . 52237 1 18 606 GLU . 52237 1 19 607 SER . 52237 1 20 608 VAL . 52237 1 21 609 PRO . 52237 1 22 610 ARG . 52237 1 23 611 THR . 52237 1 24 612 LEU . 52237 1 25 613 ALA . 52237 1 26 614 GLY . 52237 1 27 615 LEU . 52237 1 28 616 THR . 52237 1 29 617 ILE . 52237 1 30 618 VAL . 52237 1 31 619 VAL . 52237 1 32 620 THR . 52237 1 33 621 GLY . 52237 1 34 622 SER . 52237 1 35 623 LEU . 52237 1 36 624 THR . 52237 1 37 625 GLY . 52237 1 38 626 PHE . 52237 1 39 627 SER . 52237 1 40 628 ARG . 52237 1 41 629 ASP . 52237 1 42 630 ASP . 52237 1 43 631 ALA . 52237 1 44 632 LYS . 52237 1 45 633 GLU . 52237 1 46 634 ALA . 52237 1 47 635 ILE . 52237 1 48 636 VAL . 52237 1 49 637 ALA . 52237 1 50 638 ARG . 52237 1 51 639 GLY . 52237 1 52 640 GLY . 52237 1 53 641 LYS . 52237 1 54 642 ALA . 52237 1 55 643 ALA . 52237 1 56 644 GLY . 52237 1 57 645 SER . 52237 1 58 646 VAL . 52237 1 59 647 SER . 52237 1 60 648 LYS . 52237 1 61 649 LYS . 52237 1 62 650 THR . 52237 1 63 651 ASN . 52237 1 64 652 TYR . 52237 1 65 653 VAL . 52237 1 66 654 VAL . 52237 1 67 655 ALA . 52237 1 68 656 GLY . 52237 1 69 657 ASP . 52237 1 70 658 SER . 52237 1 71 659 PRO . 52237 1 72 660 GLY . 52237 1 73 661 SER . 52237 1 74 662 LYS . 52237 1 75 663 TYR . 52237 1 76 664 ASP . 52237 1 77 665 LYS . 52237 1 78 666 ALA . 52237 1 79 667 VAL . 52237 1 80 668 GLU . 52237 1 81 669 LEU . 52237 1 82 670 GLY . 52237 1 83 671 VAL . 52237 1 84 672 PRO . 52237 1 85 673 ILE . 52237 1 86 674 LEU . 52237 1 87 675 ASP . 52237 1 88 676 GLU . 52237 1 89 677 ASP . 52237 1 90 678 GLY . 52237 1 91 679 PHE . 52237 1 92 680 ARG . 52237 1 93 681 ARG . 52237 1 94 682 LEU . 52237 1 95 683 LEU . 52237 1 96 684 ALA . 52237 1 97 685 ASP . 52237 1 98 686 GLY . 52237 1 99 687 PRO . 52237 1 100 688 ALA . 52237 1 101 689 SER . 52237 1 102 690 ARG . 52237 1 103 691 THR . 52237 1 104 . LYS . 52237 1 105 . LEU . 52237 1 106 . ALA . 52237 1 107 . ALA . 52237 1 108 . ALA . 52237 1 109 . LEU . 52237 1 110 . GLU . 52237 1 111 . HIS . 52237 1 112 . HIS . 52237 1 113 . HIS . 52237 1 114 . HIS . 52237 1 115 . HIS . 52237 1 116 . HIS . 52237 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 . MET 1 1 52237 1 . ALA 2 2 52237 1 . SER 3 3 52237 1 . MET 4 4 52237 1 . THR 5 5 52237 1 . GLY 6 6 52237 1 . GLY 7 7 52237 1 . GLN 8 8 52237 1 . GLN 9 9 52237 1 . MET 10 10 52237 1 . GLY 11 11 52237 1 . ARG 12 12 52237 1 . GLY 13 13 52237 1 . SER 14 14 52237 1 . GLU 15 15 52237 1 . PHE 16 16 52237 1 . ASP 17 17 52237 1 . GLU 18 18 52237 1 . SER 19 19 52237 1 . VAL 20 20 52237 1 . PRO 21 21 52237 1 . ARG 22 22 52237 1 . THR 23 23 52237 1 . LEU 24 24 52237 1 . ALA 25 25 52237 1 . GLY 26 26 52237 1 . LEU 27 27 52237 1 . THR 28 28 52237 1 . ILE 29 29 52237 1 . VAL 30 30 52237 1 . VAL 31 31 52237 1 . THR 32 32 52237 1 . GLY 33 33 52237 1 . SER 34 34 52237 1 . LEU 35 35 52237 1 . THR 36 36 52237 1 . GLY 37 37 52237 1 . PHE 38 38 52237 1 . SER 39 39 52237 1 . ARG 40 40 52237 1 . ASP 41 41 52237 1 . ASP 42 42 52237 1 . ALA 43 43 52237 1 . LYS 44 44 52237 1 . GLU 45 45 52237 1 . ALA 46 46 52237 1 . ILE 47 47 52237 1 . VAL 48 48 52237 1 . ALA 49 49 52237 1 . ARG 50 50 52237 1 . GLY 51 51 52237 1 . GLY 52 52 52237 1 . LYS 53 53 52237 1 . ALA 54 54 52237 1 . ALA 55 55 52237 1 . GLY 56 56 52237 1 . SER 57 57 52237 1 . VAL 58 58 52237 1 . SER 59 59 52237 1 . LYS 60 60 52237 1 . LYS 61 61 52237 1 . THR 62 62 52237 1 . ASN 63 63 52237 1 . TYR 64 64 52237 1 . VAL 65 65 52237 1 . VAL 66 66 52237 1 . ALA 67 67 52237 1 . GLY 68 68 52237 1 . ASP 69 69 52237 1 . SER 70 70 52237 1 . PRO 71 71 52237 1 . GLY 72 72 52237 1 . SER 73 73 52237 1 . LYS 74 74 52237 1 . TYR 75 75 52237 1 . ASP 76 76 52237 1 . LYS 77 77 52237 1 . ALA 78 78 52237 1 . VAL 79 79 52237 1 . GLU 80 80 52237 1 . LEU 81 81 52237 1 . GLY 82 82 52237 1 . VAL 83 83 52237 1 . PRO 84 84 52237 1 . ILE 85 85 52237 1 . LEU 86 86 52237 1 . ASP 87 87 52237 1 . GLU 88 88 52237 1 . ASP 89 89 52237 1 . GLY 90 90 52237 1 . PHE 91 91 52237 1 . ARG 92 92 52237 1 . ARG 93 93 52237 1 . LEU 94 94 52237 1 . LEU 95 95 52237 1 . ALA 96 96 52237 1 . ASP 97 97 52237 1 . GLY 98 98 52237 1 . PRO 99 99 52237 1 . ALA 100 100 52237 1 . SER 101 101 52237 1 . ARG 102 102 52237 1 . THR 103 103 52237 1 . LYS 104 104 52237 1 . LEU 105 105 52237 1 . ALA 106 106 52237 1 . ALA 107 107 52237 1 . ALA 108 108 52237 1 . LEU 109 109 52237 1 . GLU 110 110 52237 1 . HIS 111 111 52237 1 . HIS 112 112 52237 1 . HIS 113 113 52237 1 . HIS 114 114 52237 1 . HIS 115 115 52237 1 . HIS 116 116 52237 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52237 _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 . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . 52237 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52237 _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 DNA Technology for Protein expression' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . 52237 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52237 _Sample.ID 1 _Sample.Name 'Sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Tris 50mM, NaCl 200 mM, Sodium azide. pH 6.5 ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '94% H2O/6% 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 BRCT [U-15N] . . 1 $entity_1 . . 0.3 . . mM . . . . 52237 1 2 TRIS [U-2H] . . . . . . 50 . . mM . . . . 52237 1 3 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 52237 1 4 'sodium azide' 'natural abundance' . . . . . . 0.5 . . mM . . . . 52237 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52237 _Sample.ID 2 _Sample.Name 'Sample 2' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Tris 50mM, NaCl 200 mM, Sodium azide 0.5mM pH 6.5 ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '94% H2O/6% 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 BRCT '[U-13C; U-15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 52237 2 2 TRIS [U-2H] . . . . . . 50 . . mM . . . . 52237 2 3 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 52237 2 4 'sodium azide' 'natural abundance' . . . . . . 0.5 . . mM . . . . 52237 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 52237 _Sample.ID 3 _Sample.Name 'Sample 3' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Tris 50mM, NaCl 200 mM, Sodium azide 0.5mM pH 6.5 ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '99% 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 BRCT '[U-13C; U-15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 52237 3 2 TRIS [U-2H] . . . . . . 50 . . mM . . . . 52237 3 3 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 52237 3 4 'sodium azide' 'natural abundance' . . . . . . 0.5 . . mM . . . . 52237 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 52237 _Sample_condition_list.ID 1 _Sample_condition_list.Name '20 degC' _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' 0.2 . M 52237 1 pH 6.5 . pH 52237 1 pressure 1 . atm 52237 1 temperature 293.15 . K 52237 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52237 _Software.ID 1 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52237 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52237 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52237 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52237 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52237 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52237 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz' _NMR_spectrometer.Details '700MHz NMR spectrometer equipped with cryoprobe' _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52237 _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' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52237 1 2 '3D HNCACB' yes no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52237 1 3 '3D C(CO)NH' yes no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52237 1 4 '3D H(CCO)NH' yes no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52237 1 5 '3D HNCO' yes no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52237 1 6 '3D 1H-15N TOCSY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52237 1 7 '3D 1H-15N NOESY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52237 1 8 '2D 1H-13C HSQC' yes no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52237 1 9 '3D HCCH-COSY' yes no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52237 1 10 '3D CCH-TOCSY' yes no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52237 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' BRCT_LigA_MTB_NMR_FIDs.zip . 'Time-domain (raw spectral data)' . . 52237 1 2 '3D HNCACB' BRCT_LigA_MTB_NMR_FIDs.zip . 'Time-domain (raw spectral data)' . . 52237 1 3 '3D C(CO)NH' BRCT_LigA_MTB_NMR_FIDs.zip . 'Time-domain (raw spectral data)' . . 52237 1 4 '3D H(CCO)NH' BRCT_LigA_MTB_NMR_FIDs.zip . 'Time-domain (raw spectral data)' . . 52237 1 5 '3D HNCO' BRCT_LigA_MTB_NMR_FIDs.zip . 'Time-domain (raw spectral data)' . . 52237 1 6 '3D 1H-15N TOCSY' BRCT_LigA_MTB_NMR_FIDs.zip . 'Time-domain (raw spectral data)' . . 52237 1 7 '3D 1H-15N NOESY' BRCT_LigA_MTB_NMR_FIDs.zip . 'Time-domain (raw spectral data)' . . 52237 1 8 '2D 1H-13C HSQC' BRCT_LigA_MTB_NMR_FIDs.zip . 'Time-domain (raw spectral data)' . . 52237 1 9 '3D HCCH-COSY' BRCT_LigA_MTB_NMR_FIDs.zip . 'Time-domain (raw spectral data)' . . 52237 1 10 '3D CCH-TOCSY' BRCT_LigA_MTB_NMR_FIDs.zip . 'Time-domain (raw spectral data)' . . 52237 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 52237 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name BRCT_reference _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . 52237 1 H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 52237 1 N 15 TSP 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 52237 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 52237 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Chemical shift assignment of BRCT domain of Mtb LigA' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52237 1 2 '3D HNCACB' . . . 52237 1 3 '3D C(CO)NH' . . . 52237 1 4 '3D H(CCO)NH' . . . 52237 1 5 '3D HNCO' . . . 52237 1 6 '3D 1H-15N TOCSY' . . . 52237 1 8 '2D 1H-13C HSQC' . . . 52237 1 9 '3D HCCH-COSY' . . . 52237 1 10 '3D CCH-TOCSY' . . . 52237 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52237 1 2 $software_2 . . 52237 1 3 $software_3 . . 52237 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 17 17 ASP H H 1 8.150 0.020 . 1 . . . . . 605 ASP H . 52237 1 2 . 1 . 1 17 17 ASP HA H 1 4.577 0.020 . 1 . . . . . 605 ASP HA . 52237 1 3 . 1 . 1 17 17 ASP HB2 H 1 2.629 0.020 . 1 . . . . . 605 ASP HB2 . 52237 1 4 . 1 . 1 17 17 ASP HB3 H 1 2.745 0.020 . 1 . . . . . 605 ASP HB3 . 52237 1 5 . 1 . 1 17 17 ASP C C 13 176.215 0.200 . 1 . . . . . 605 ASP C . 52237 1 6 . 1 . 1 17 17 ASP CA C 13 54.490 0.200 . 1 . . . . . 605 ASP CA . 52237 1 7 . 1 . 1 17 17 ASP CB C 13 41.537 0.200 . 1 . . . . . 605 ASP CB . 52237 1 8 . 1 . 1 17 17 ASP N N 15 122.231 0.200 . 1 . . . . . 605 ASP N . 52237 1 9 . 1 . 1 18 18 GLU H H 1 8.458 0.020 . 1 . . . . . 606 GLU H . 52237 1 10 . 1 . 1 18 18 GLU HA H 1 4.302 0.020 . 1 . . . . . 606 GLU HA . 52237 1 11 . 1 . 1 18 18 GLU HB2 H 1 1.958 0.020 . 1 . . . . . 606 GLU HB2 . 52237 1 12 . 1 . 1 18 18 GLU HB3 H 1 2.143 0.020 . 1 . . . . . 606 GLU HB3 . 52237 1 13 . 1 . 1 18 18 GLU HG2 H 1 2.288 0.020 . 1 . . . . . 606 GLU HG2 . 52237 1 14 . 1 . 1 18 18 GLU HG3 H 1 2.288 0.020 . 1 . . . . . 606 GLU HG3 . 52237 1 15 . 1 . 1 18 18 GLU C C 13 176.515 0.200 . 1 . . . . . 606 GLU C . 52237 1 16 . 1 . 1 18 18 GLU CA C 13 56.790 0.200 . 1 . . . . . 606 GLU CA . 52237 1 17 . 1 . 1 18 18 GLU CB C 13 30.385 0.200 . 1 . . . . . 606 GLU CB . 52237 1 18 . 1 . 1 18 18 GLU CG C 13 36.644 0.200 . 1 . . . . . 606 GLU CG . 52237 1 19 . 1 . 1 18 18 GLU N N 15 122.322 0.200 . 1 . . . . . 606 GLU N . 52237 1 20 . 1 . 1 19 19 SER H H 1 8.464 0.020 . 1 . . . . . 607 SER H . 52237 1 21 . 1 . 1 19 19 SER HA H 1 4.445 0.020 . 1 . . . . . 607 SER HA . 52237 1 22 . 1 . 1 19 19 SER HB2 H 1 3.887 0.020 . 1 . . . . . 607 SER HB2 . 52237 1 23 . 1 . 1 19 19 SER HB3 H 1 3.887 0.020 . 1 . . . . . 607 SER HB3 . 52237 1 24 . 1 . 1 19 19 SER C C 13 174.286 0.200 . 1 . . . . . 607 SER C . 52237 1 25 . 1 . 1 19 19 SER CA C 13 59.050 0.200 . 1 . . . . . 607 SER CA . 52237 1 26 . 1 . 1 19 19 SER CB C 13 63.885 0.200 . 1 . . . . . 607 SER CB . 52237 1 27 . 1 . 1 19 19 SER N N 15 117.103 0.200 . 1 . . . . . 607 SER N . 52237 1 28 . 1 . 1 20 20 VAL H H 1 7.983 0.020 . 1 . . . . . 608 VAL H . 52237 1 29 . 1 . 1 20 20 VAL HA H 1 4.460 0.020 . 1 . . . . . 608 VAL HA . 52237 1 30 . 1 . 1 20 20 VAL HB H 1 2.096 0.020 . 1 . . . . . 608 VAL HB . 52237 1 31 . 1 . 1 20 20 VAL HG11 H 1 0.952 0.020 . 1 . . . . . 608 VAL HG1 . 52237 1 32 . 1 . 1 20 20 VAL HG12 H 1 0.952 0.020 . 1 . . . . . 608 VAL HG1 . 52237 1 33 . 1 . 1 20 20 VAL HG13 H 1 0.952 0.020 . 1 . . . . . 608 VAL HG1 . 52237 1 34 . 1 . 1 20 20 VAL HG21 H 1 0.952 0.020 . 1 . . . . . 608 VAL HG2 . 52237 1 35 . 1 . 1 20 20 VAL HG22 H 1 0.952 0.020 . 1 . . . . . 608 VAL HG2 . 52237 1 36 . 1 . 1 20 20 VAL HG23 H 1 0.952 0.020 . 1 . . . . . 608 VAL HG2 . 52237 1 37 . 1 . 1 20 20 VAL CA C 13 59.985 0.200 . 1 . . . . . 608 VAL CA . 52237 1 38 . 1 . 1 20 20 VAL CB C 13 32.842 0.200 . 1 . . . . . 608 VAL CB . 52237 1 39 . 1 . 1 20 20 VAL CG1 C 13 21.100 0.200 . 1 . . . . . 608 VAL CG1 . 52237 1 40 . 1 . 1 20 20 VAL CG2 C 13 21.100 0.200 . 1 . . . . . 608 VAL CG2 . 52237 1 41 . 1 . 1 20 20 VAL N N 15 122.694 0.200 . 1 . . . . . 608 VAL N . 52237 1 42 . 1 . 1 21 21 PRO HA H 1 4.434 0.020 . 1 . . . . . 609 PRO HA . 52237 1 43 . 1 . 1 21 21 PRO HB2 H 1 2.300 0.020 . 1 . . . . . 609 PRO HB2 . 52237 1 44 . 1 . 1 21 21 PRO HB3 H 1 2.300 0.020 . 1 . . . . . 609 PRO HB3 . 52237 1 45 . 1 . 1 21 21 PRO HG2 H 1 2.030 0.020 . 1 . . . . . 609 PRO HG2 . 52237 1 46 . 1 . 1 21 21 PRO HG3 H 1 2.030 0.020 . 1 . . . . . 609 PRO HG3 . 52237 1 47 . 1 . 1 21 21 PRO HD2 H 1 3.727 0.020 . 1 . . . . . 609 PRO HD2 . 52237 1 48 . 1 . 1 21 21 PRO HD3 H 1 3.690 0.020 . 1 . . . . . 609 PRO HD3 . 52237 1 49 . 1 . 1 21 21 PRO C C 13 177.154 0.200 . 1 . . . . . 609 PRO C . 52237 1 50 . 1 . 1 21 21 PRO CA C 13 63.300 0.200 . 1 . . . . . 609 PRO CA . 52237 1 51 . 1 . 1 21 21 PRO CB C 13 32.500 0.200 . 1 . . . . . 609 PRO CB . 52237 1 52 . 1 . 1 21 21 PRO CG C 13 27.915 0.200 . 1 . . . . . 609 PRO CG . 52237 1 53 . 1 . 1 21 21 PRO CD C 13 51.278 0.200 . 1 . . . . . 609 PRO CD . 52237 1 54 . 1 . 1 22 22 ARG H H 1 8.674 0.020 . 1 . . . . . 610 ARG H . 52237 1 55 . 1 . 1 22 22 ARG HA H 1 4.380 0.020 . 1 . . . . . 610 ARG HA . 52237 1 56 . 1 . 1 22 22 ARG HB2 H 1 1.763 0.020 . 1 . . . . . 610 ARG HB2 . 52237 1 57 . 1 . 1 22 22 ARG HB3 H 1 1.751 0.020 . 1 . . . . . 610 ARG HB3 . 52237 1 58 . 1 . 1 22 22 ARG HG2 H 1 1.602 0.020 . 1 . . . . . 610 ARG HG2 . 52237 1 59 . 1 . 1 22 22 ARG HG3 H 1 1.810 0.020 . 1 . . . . . 610 ARG HG3 . 52237 1 60 . 1 . 1 22 22 ARG HD2 H 1 3.195 0.020 . 1 . . . . . 610 ARG HD2 . 52237 1 61 . 1 . 1 22 22 ARG HD3 H 1 3.259 0.020 . 1 . . . . . 610 ARG HD3 . 52237 1 62 . 1 . 1 22 22 ARG C C 13 178.391 0.200 . 1 . . . . . 610 ARG C . 52237 1 63 . 1 . 1 22 22 ARG CA C 13 55.220 0.200 . 1 . . . . . 610 ARG CA . 52237 1 64 . 1 . 1 22 22 ARG CB C 13 28.093 0.200 . 1 . . . . . 610 ARG CB . 52237 1 65 . 1 . 1 22 22 ARG CG C 13 28.207 0.200 . 1 . . . . . 610 ARG CG . 52237 1 66 . 1 . 1 22 22 ARG CD C 13 43.635 0.200 . 1 . . . . . 610 ARG CD . 52237 1 67 . 1 . 1 22 22 ARG N N 15 124.137 0.200 . 1 . . . . . 610 ARG N . 52237 1 68 . 1 . 1 23 23 THR H H 1 8.046 0.020 . 1 . . . . . 611 THR H . 52237 1 69 . 1 . 1 23 23 THR HA H 1 4.039 0.020 . 1 . . . . . 611 THR HA . 52237 1 70 . 1 . 1 23 23 THR HB H 1 4.174 0.020 . 1 . . . . . 611 THR HB . 52237 1 71 . 1 . 1 23 23 THR HG21 H 1 1.170 0.020 . 1 . . . . . 611 THR HG2 . 52237 1 72 . 1 . 1 23 23 THR HG22 H 1 1.170 0.020 . 1 . . . . . 611 THR HG2 . 52237 1 73 . 1 . 1 23 23 THR HG23 H 1 1.170 0.020 . 1 . . . . . 611 THR HG2 . 52237 1 74 . 1 . 1 23 23 THR C C 13 176.203 0.200 . 1 . . . . . 611 THR C . 52237 1 75 . 1 . 1 23 23 THR CA C 13 63.603 0.200 . 1 . . . . . 611 THR CA . 52237 1 76 . 1 . 1 23 23 THR CB C 13 69.457 0.200 . 1 . . . . . 611 THR CB . 52237 1 77 . 1 . 1 23 23 THR CG2 C 13 23.713 0.200 . 1 . . . . . 611 THR CG2 . 52237 1 78 . 1 . 1 23 23 THR N N 15 112.660 0.200 . 1 . . . . . 611 THR N . 52237 1 79 . 1 . 1 24 24 LEU H H 1 8.322 0.020 . 1 . . . . . 612 LEU H . 52237 1 80 . 1 . 1 24 24 LEU HA H 1 4.649 0.020 . 1 . . . . . 612 LEU HA . 52237 1 81 . 1 . 1 24 24 LEU HB2 H 1 1.323 0.020 . 1 . . . . . 612 LEU HB2 . 52237 1 82 . 1 . 1 24 24 LEU HB3 H 1 1.658 0.020 . 1 . . . . . 612 LEU HB3 . 52237 1 83 . 1 . 1 24 24 LEU HG H 1 1.677 0.020 . 1 . . . . . 612 LEU HG . 52237 1 84 . 1 . 1 24 24 LEU HD11 H 1 0.889 0.020 . 1 . . . . . 612 LEU HD1 . 52237 1 85 . 1 . 1 24 24 LEU HD12 H 1 0.889 0.020 . 1 . . . . . 612 LEU HD1 . 52237 1 86 . 1 . 1 24 24 LEU HD13 H 1 0.889 0.020 . 1 . . . . . 612 LEU HD1 . 52237 1 87 . 1 . 1 24 24 LEU HD21 H 1 0.676 0.020 . 1 . . . . . 612 LEU HD2 . 52237 1 88 . 1 . 1 24 24 LEU HD22 H 1 0.676 0.020 . 1 . . . . . 612 LEU HD2 . 52237 1 89 . 1 . 1 24 24 LEU HD23 H 1 0.676 0.020 . 1 . . . . . 612 LEU HD2 . 52237 1 90 . 1 . 1 24 24 LEU C C 13 174.852 0.200 . 1 . . . . . 612 LEU C . 52237 1 91 . 1 . 1 24 24 LEU CA C 13 52.763 0.200 . 1 . . . . . 612 LEU CA . 52237 1 92 . 1 . 1 24 24 LEU CB C 13 40.550 0.200 . 1 . . . . . 612 LEU CB . 52237 1 93 . 1 . 1 24 24 LEU CG C 13 27.290 0.200 . 1 . . . . . 612 LEU CG . 52237 1 94 . 1 . 1 24 24 LEU CD1 C 13 27.490 0.200 . 1 . . . . . 612 LEU CD1 . 52237 1 95 . 1 . 1 24 24 LEU CD2 C 13 24.156 0.200 . 1 . . . . . 612 LEU CD2 . 52237 1 96 . 1 . 1 24 24 LEU N N 15 117.589 0.200 . 1 . . . . . 612 LEU N . 52237 1 97 . 1 . 1 25 25 ALA H H 1 7.013 0.020 . 1 . . . . . 613 ALA H . 52237 1 98 . 1 . 1 25 25 ALA HA H 1 4.069 0.020 . 1 . . . . . 613 ALA HA . 52237 1 99 . 1 . 1 25 25 ALA HB1 H 1 1.433 0.020 . 1 . . . . . 613 ALA HB . 52237 1 100 . 1 . 1 25 25 ALA HB2 H 1 1.433 0.020 . 1 . . . . . 613 ALA HB . 52237 1 101 . 1 . 1 25 25 ALA HB3 H 1 1.433 0.020 . 1 . . . . . 613 ALA HB . 52237 1 102 . 1 . 1 25 25 ALA C C 13 179.033 0.200 . 1 . . . . . 613 ALA C . 52237 1 103 . 1 . 1 25 25 ALA CA C 13 54.004 0.200 . 1 . . . . . 613 ALA CA . 52237 1 104 . 1 . 1 25 25 ALA CB C 13 18.663 0.200 . 1 . . . . . 613 ALA CB . 52237 1 105 . 1 . 1 25 25 ALA N N 15 120.758 0.200 . 1 . . . . . 613 ALA N . 52237 1 106 . 1 . 1 26 26 GLY H H 1 8.244 0.020 . 1 . . . . . 614 GLY H . 52237 1 107 . 1 . 1 26 26 GLY HA2 H 1 4.200 0.020 . 1 . . . . . 614 GLY HA2 . 52237 1 108 . 1 . 1 26 26 GLY HA3 H 1 3.780 0.020 . 1 . . . . . 614 GLY HA3 . 52237 1 109 . 1 . 1 26 26 GLY C C 13 174.497 0.200 . 1 . . . . . 614 GLY C . 52237 1 110 . 1 . 1 26 26 GLY CA C 13 45.760 0.200 . 1 . . . . . 614 GLY CA . 52237 1 111 . 1 . 1 26 26 GLY N N 15 110.874 0.200 . 1 . . . . . 614 GLY N . 52237 1 112 . 1 . 1 27 27 LEU H H 1 8.294 0.020 . 1 . . . . . 615 LEU H . 52237 1 113 . 1 . 1 27 27 LEU HA H 1 4.872 0.020 . 1 . . . . . 615 LEU HA . 52237 1 114 . 1 . 1 27 27 LEU HB2 H 1 2.126 0.020 . 1 . . . . . 615 LEU HB2 . 52237 1 115 . 1 . 1 27 27 LEU HB3 H 1 1.176 0.020 . 1 . . . . . 615 LEU HB3 . 52237 1 116 . 1 . 1 27 27 LEU HG H 1 1.028 0.020 . 1 . . . . . 615 LEU HG . 52237 1 117 . 1 . 1 27 27 LEU HD11 H 1 0.902 0.020 . 1 . . . . . 615 LEU HD1 . 52237 1 118 . 1 . 1 27 27 LEU HD12 H 1 0.902 0.020 . 1 . . . . . 615 LEU HD1 . 52237 1 119 . 1 . 1 27 27 LEU HD13 H 1 0.902 0.020 . 1 . . . . . 615 LEU HD1 . 52237 1 120 . 1 . 1 27 27 LEU HD21 H 1 0.902 0.020 . 1 . . . . . 615 LEU HD2 . 52237 1 121 . 1 . 1 27 27 LEU HD22 H 1 0.902 0.020 . 1 . . . . . 615 LEU HD2 . 52237 1 122 . 1 . 1 27 27 LEU HD23 H 1 0.902 0.020 . 1 . . . . . 615 LEU HD2 . 52237 1 123 . 1 . 1 27 27 LEU C C 13 176.803 0.200 . 1 . . . . . 615 LEU C . 52237 1 124 . 1 . 1 27 27 LEU CA C 13 54.198 0.200 . 1 . . . . . 615 LEU CA . 52237 1 125 . 1 . 1 27 27 LEU CB C 13 44.552 0.200 . 1 . . . . . 615 LEU CB . 52237 1 126 . 1 . 1 27 27 LEU CG C 13 26.886 0.200 . 1 . . . . . 615 LEU CG . 52237 1 127 . 1 . 1 27 27 LEU CD1 C 13 23.152 0.200 . 1 . . . . . 615 LEU CD1 . 52237 1 128 . 1 . 1 27 27 LEU CD2 C 13 23.152 0.200 . 1 . . . . . 615 LEU CD2 . 52237 1 129 . 1 . 1 27 27 LEU N N 15 120.107 0.200 . 1 . . . . . 615 LEU N . 52237 1 130 . 1 . 1 28 28 THR H H 1 9.680 0.020 . 1 . . . . . 616 THR H . 52237 1 131 . 1 . 1 28 28 THR HA H 1 5.087 0.020 . 1 . . . . . 616 THR HA . 52237 1 132 . 1 . 1 28 28 THR HB H 1 4.179 0.020 . 1 . . . . . 616 THR HB . 52237 1 133 . 1 . 1 28 28 THR HG21 H 1 1.136 0.020 . 1 . . . . . 616 THR HG2 . 52237 1 134 . 1 . 1 28 28 THR HG22 H 1 1.136 0.020 . 1 . . . . . 616 THR HG2 . 52237 1 135 . 1 . 1 28 28 THR HG23 H 1 1.136 0.020 . 1 . . . . . 616 THR HG2 . 52237 1 136 . 1 . 1 28 28 THR C C 13 174.159 0.200 . 1 . . . . . 616 THR C . 52237 1 137 . 1 . 1 28 28 THR CA C 13 62.756 0.200 . 1 . . . . . 616 THR CA . 52237 1 138 . 1 . 1 28 28 THR CB C 13 70.033 0.200 . 1 . . . . . 616 THR CB . 52237 1 139 . 1 . 1 28 28 THR CG2 C 13 22.723 0.200 . 1 . . . . . 616 THR CG2 . 52237 1 140 . 1 . 1 28 28 THR N N 15 119.976 0.200 . 1 . . . . . 616 THR N . 52237 1 141 . 1 . 1 29 29 ILE H H 1 9.258 0.020 . 1 . . . . . 617 ILE H . 52237 1 142 . 1 . 1 29 29 ILE HA H 1 5.242 0.020 . 1 . . . . . 617 ILE HA . 52237 1 143 . 1 . 1 29 29 ILE HB H 1 1.725 0.020 . 1 . . . . . 617 ILE HB . 52237 1 144 . 1 . 1 29 29 ILE HG12 H 1 1.281 0.020 . 1 . . . . . 617 ILE HG12 . 52237 1 145 . 1 . 1 29 29 ILE HG13 H 1 1.587 0.020 . 1 . . . . . 617 ILE HG13 . 52237 1 146 . 1 . 1 29 29 ILE HG21 H 1 0.659 0.020 . 1 . . . . . 617 ILE HG2 . 52237 1 147 . 1 . 1 29 29 ILE HG22 H 1 0.659 0.020 . 1 . . . . . 617 ILE HG2 . 52237 1 148 . 1 . 1 29 29 ILE HG23 H 1 0.659 0.020 . 1 . . . . . 617 ILE HG2 . 52237 1 149 . 1 . 1 29 29 ILE HD11 H 1 0.920 0.020 . 1 . . . . . 617 ILE HD1 . 52237 1 150 . 1 . 1 29 29 ILE HD12 H 1 0.920 0.020 . 1 . . . . . 617 ILE HD1 . 52237 1 151 . 1 . 1 29 29 ILE HD13 H 1 0.920 0.020 . 1 . . . . . 617 ILE HD1 . 52237 1 152 . 1 . 1 29 29 ILE C C 13 174.298 0.200 . 1 . . . . . 617 ILE C . 52237 1 153 . 1 . 1 29 29 ILE CA C 13 59.187 0.200 . 1 . . . . . 617 ILE CA . 52237 1 154 . 1 . 1 29 29 ILE CB C 13 42.332 0.200 . 1 . . . . . 617 ILE CB . 52237 1 155 . 1 . 1 29 29 ILE CG1 C 13 29.092 0.200 . 1 . . . . . 617 ILE CG1 . 52237 1 156 . 1 . 1 29 29 ILE CG2 C 13 18.799 0.200 . 1 . . . . . 617 ILE CG2 . 52237 1 157 . 1 . 1 29 29 ILE CD1 C 13 15.581 0.200 . 1 . . . . . 617 ILE CD1 . 52237 1 158 . 1 . 1 29 29 ILE N N 15 128.584 0.200 . 1 . . . . . 617 ILE N . 52237 1 159 . 1 . 1 30 30 VAL H H 1 8.053 0.020 . 1 . . . . . 618 VAL H . 52237 1 160 . 1 . 1 30 30 VAL HA H 1 4.555 0.020 . 1 . . . . . 618 VAL HA . 52237 1 161 . 1 . 1 30 30 VAL HB H 1 1.755 0.020 . 1 . . . . . 618 VAL HB . 52237 1 162 . 1 . 1 30 30 VAL HG11 H 1 0.688 0.020 . 1 . . . . . 618 VAL HG1 . 52237 1 163 . 1 . 1 30 30 VAL HG12 H 1 0.688 0.020 . 1 . . . . . 618 VAL HG1 . 52237 1 164 . 1 . 1 30 30 VAL HG13 H 1 0.688 0.020 . 1 . . . . . 618 VAL HG1 . 52237 1 165 . 1 . 1 30 30 VAL HG21 H 1 0.720 0.020 . 1 . . . . . 618 VAL HG2 . 52237 1 166 . 1 . 1 30 30 VAL HG22 H 1 0.720 0.020 . 1 . . . . . 618 VAL HG2 . 52237 1 167 . 1 . 1 30 30 VAL HG23 H 1 0.720 0.020 . 1 . . . . . 618 VAL HG2 . 52237 1 168 . 1 . 1 30 30 VAL C C 13 174.015 0.200 . 1 . . . . . 618 VAL C . 52237 1 169 . 1 . 1 30 30 VAL CA C 13 60.464 0.200 . 1 . . . . . 618 VAL CA . 52237 1 170 . 1 . 1 30 30 VAL CB C 13 35.029 0.200 . 1 . . . . . 618 VAL CB . 52237 1 171 . 1 . 1 30 30 VAL CG1 C 13 20.734 0.200 . 1 . . . . . 618 VAL CG1 . 52237 1 172 . 1 . 1 30 30 VAL CG2 C 13 22.724 0.200 . 1 . . . . . 618 VAL CG2 . 52237 1 173 . 1 . 1 30 30 VAL N N 15 126.570 0.200 . 1 . . . . . 618 VAL N . 52237 1 174 . 1 . 1 31 31 VAL H H 1 8.852 0.020 . 1 . . . . . 619 VAL H . 52237 1 175 . 1 . 1 31 31 VAL HA H 1 4.459 0.020 . 1 . . . . . 619 VAL HA . 52237 1 176 . 1 . 1 31 31 VAL HB H 1 1.749 0.020 . 1 . . . . . 619 VAL HB . 52237 1 177 . 1 . 1 31 31 VAL HG11 H 1 0.564 0.020 . 1 . . . . . 619 VAL HG1 . 52237 1 178 . 1 . 1 31 31 VAL HG12 H 1 0.564 0.020 . 1 . . . . . 619 VAL HG1 . 52237 1 179 . 1 . 1 31 31 VAL HG13 H 1 0.564 0.020 . 1 . . . . . 619 VAL HG1 . 52237 1 180 . 1 . 1 31 31 VAL HG21 H 1 0.420 0.020 . 1 . . . . . 619 VAL HG2 . 52237 1 181 . 1 . 1 31 31 VAL HG22 H 1 0.420 0.020 . 1 . . . . . 619 VAL HG2 . 52237 1 182 . 1 . 1 31 31 VAL HG23 H 1 0.420 0.020 . 1 . . . . . 619 VAL HG2 . 52237 1 183 . 1 . 1 31 31 VAL C C 13 174.799 0.200 . 1 . . . . . 619 VAL C . 52237 1 184 . 1 . 1 31 31 VAL CA C 13 61.456 0.200 . 1 . . . . . 619 VAL CA . 52237 1 185 . 1 . 1 31 31 VAL CB C 13 32.620 0.200 . 1 . . . . . 619 VAL CB . 52237 1 186 . 1 . 1 31 31 VAL CG1 C 13 21.830 0.200 . 1 . . . . . 619 VAL CG1 . 52237 1 187 . 1 . 1 31 31 VAL CG2 C 13 21.500 0.200 . 1 . . . . . 619 VAL CG2 . 52237 1 188 . 1 . 1 31 31 VAL N N 15 128.241 0.200 . 1 . . . . . 619 VAL N . 52237 1 189 . 1 . 1 32 32 THR H H 1 9.046 0.020 . 1 . . . . . 620 THR H . 52237 1 190 . 1 . 1 32 32 THR HA H 1 4.831 0.020 . 1 . . . . . 620 THR HA . 52237 1 191 . 1 . 1 32 32 THR HB H 1 3.752 0.020 . 1 . . . . . 620 THR HB . 52237 1 192 . 1 . 1 32 32 THR HG21 H 1 1.111 0.020 . 1 . . . . . 620 THR HG2 . 52237 1 193 . 1 . 1 32 32 THR HG22 H 1 1.111 0.020 . 1 . . . . . 620 THR HG2 . 52237 1 194 . 1 . 1 32 32 THR HG23 H 1 1.111 0.020 . 1 . . . . . 620 THR HG2 . 52237 1 195 . 1 . 1 32 32 THR C C 13 172.153 0.200 . 1 . . . . . 620 THR C . 52237 1 196 . 1 . 1 32 32 THR CA C 13 60.164 0.200 . 1 . . . . . 620 THR CA . 52237 1 197 . 1 . 1 32 32 THR CB C 13 70.641 0.200 . 1 . . . . . 620 THR CB . 52237 1 198 . 1 . 1 32 32 THR CG2 C 13 20.754 0.200 . 1 . . . . . 620 THR CG2 . 52237 1 199 . 1 . 1 32 32 THR N N 15 121.382 0.200 . 1 . . . . . 620 THR N . 52237 1 200 . 1 . 1 33 33 GLY H H 1 8.270 0.020 . 1 . . . . . 621 GLY H . 52237 1 201 . 1 . 1 33 33 GLY HA2 H 1 3.778 0.020 . 1 . . . . . 621 GLY HA2 . 52237 1 202 . 1 . 1 33 33 GLY HA3 H 1 3.654 0.020 . 1 . . . . . 621 GLY HA3 . 52237 1 203 . 1 . 1 33 33 GLY C C 13 172.176 0.200 . 1 . . . . . 621 GLY C . 52237 1 204 . 1 . 1 33 33 GLY CA C 13 44.845 0.200 . 1 . . . . . 621 GLY CA . 52237 1 205 . 1 . 1 33 33 GLY N N 15 112.715 0.200 . 1 . . . . . 621 GLY N . 52237 1 206 . 1 . 1 34 34 SER H H 1 8.792 0.020 . 1 . . . . . 622 SER H . 52237 1 207 . 1 . 1 34 34 SER HA H 1 4.625 0.020 . 1 . . . . . 622 SER HA . 52237 1 208 . 1 . 1 34 34 SER HB2 H 1 3.824 0.020 . 1 . . . . . 622 SER HB2 . 52237 1 209 . 1 . 1 34 34 SER HB3 H 1 3.824 0.020 . 1 . . . . . 622 SER HB3 . 52237 1 210 . 1 . 1 34 34 SER C C 13 174.156 0.200 . 1 . . . . . 622 SER C . 52237 1 211 . 1 . 1 34 34 SER CA C 13 57.954 0.200 . 1 . . . . . 622 SER CA . 52237 1 212 . 1 . 1 34 34 SER CB C 13 64.320 0.200 . 1 . . . . . 622 SER CB . 52237 1 213 . 1 . 1 34 34 SER N N 15 113.680 0.200 . 1 . . . . . 622 SER N . 52237 1 214 . 1 . 1 35 35 LEU H H 1 9.163 0.020 . 1 . . . . . 623 LEU H . 52237 1 215 . 1 . 1 35 35 LEU HA H 1 4.843 0.020 . 1 . . . . . 623 LEU HA . 52237 1 216 . 1 . 1 35 35 LEU HB2 H 1 2.304 0.020 . 1 . . . . . 623 LEU HB2 . 52237 1 217 . 1 . 1 35 35 LEU HB3 H 1 1.753 0.020 . 1 . . . . . 623 LEU HB3 . 52237 1 218 . 1 . 1 35 35 LEU HG H 1 1.527 0.020 . 1 . . . . . 623 LEU HG . 52237 1 219 . 1 . 1 35 35 LEU HD11 H 1 0.656 0.020 . 1 . . . . . 623 LEU HD1 . 52237 1 220 . 1 . 1 35 35 LEU HD12 H 1 0.656 0.020 . 1 . . . . . 623 LEU HD1 . 52237 1 221 . 1 . 1 35 35 LEU HD13 H 1 0.656 0.020 . 1 . . . . . 623 LEU HD1 . 52237 1 222 . 1 . 1 35 35 LEU HD21 H 1 0.603 0.020 . 1 . . . . . 623 LEU HD2 . 52237 1 223 . 1 . 1 35 35 LEU HD22 H 1 0.603 0.020 . 1 . . . . . 623 LEU HD2 . 52237 1 224 . 1 . 1 35 35 LEU HD23 H 1 0.603 0.020 . 1 . . . . . 623 LEU HD2 . 52237 1 225 . 1 . 1 35 35 LEU C C 13 176.431 0.200 . 1 . . . . . 623 LEU C . 52237 1 226 . 1 . 1 35 35 LEU CA C 13 53.815 0.200 . 1 . . . . . 623 LEU CA . 52237 1 227 . 1 . 1 35 35 LEU CB C 13 42.232 0.200 . 1 . . . . . 623 LEU CB . 52237 1 228 . 1 . 1 35 35 LEU CG C 13 27.680 0.200 . 1 . . . . . 623 LEU CG . 52237 1 229 . 1 . 1 35 35 LEU CD1 C 13 22.600 0.200 . 1 . . . . . 623 LEU CD1 . 52237 1 230 . 1 . 1 35 35 LEU CD2 C 13 26.170 0.200 . 1 . . . . . 623 LEU CD2 . 52237 1 231 . 1 . 1 35 35 LEU N N 15 128.437 0.200 . 1 . . . . . 623 LEU N . 52237 1 232 . 1 . 1 36 36 THR H H 1 10.387 0.020 . 1 . . . . . 624 THR H . 52237 1 233 . 1 . 1 36 36 THR HA H 1 4.218 0.020 . 1 . . . . . 624 THR HA . 52237 1 234 . 1 . 1 36 36 THR HB H 1 4.235 0.020 . 1 . . . . . 624 THR HB . 52237 1 235 . 1 . 1 36 36 THR HG21 H 1 1.273 0.020 . 1 . . . . . 624 THR HG2 . 52237 1 236 . 1 . 1 36 36 THR HG22 H 1 1.273 0.020 . 1 . . . . . 624 THR HG2 . 52237 1 237 . 1 . 1 36 36 THR HG23 H 1 1.273 0.020 . 1 . . . . . 624 THR HG2 . 52237 1 238 . 1 . 1 36 36 THR C C 13 177.209 0.200 . 1 . . . . . 624 THR C . 52237 1 239 . 1 . 1 36 36 THR CA C 13 65.348 0.200 . 1 . . . . . 624 THR CA . 52237 1 240 . 1 . 1 36 36 THR CB C 13 69.518 0.200 . 1 . . . . . 624 THR CB . 52237 1 241 . 1 . 1 36 36 THR CG2 C 13 21.967 0.200 . 1 . . . . . 624 THR CG2 . 52237 1 242 . 1 . 1 36 36 THR N N 15 119.645 0.200 . 1 . . . . . 624 THR N . 52237 1 243 . 1 . 1 37 37 GLY H H 1 10.540 0.020 . 1 . . . . . 625 GLY H . 52237 1 244 . 1 . 1 37 37 GLY HA2 H 1 4.135 0.020 . 1 . . . . . 625 GLY HA2 . 52237 1 245 . 1 . 1 37 37 GLY HA3 H 1 3.417 0.020 . 1 . . . . . 625 GLY HA3 . 52237 1 246 . 1 . 1 37 37 GLY C C 13 173.127 0.200 . 1 . . . . . 625 GLY C . 52237 1 247 . 1 . 1 37 37 GLY CA C 13 44.892 0.200 . 1 . . . . . 625 GLY CA . 52237 1 248 . 1 . 1 37 37 GLY N N 15 111.708 0.200 . 1 . . . . . 625 GLY N . 52237 1 249 . 1 . 1 38 38 PHE H H 1 6.830 0.020 . 1 . . . . . 626 PHE H . 52237 1 250 . 1 . 1 38 38 PHE HA H 1 4.925 0.020 . 1 . . . . . 626 PHE HA . 52237 1 251 . 1 . 1 38 38 PHE HB2 H 1 3.302 0.020 . 1 . . . . . 626 PHE HB2 . 52237 1 252 . 1 . 1 38 38 PHE HB3 H 1 2.772 0.020 . 1 . . . . . 626 PHE HB3 . 52237 1 253 . 1 . 1 38 38 PHE C C 13 175.435 0.200 . 1 . . . . . 626 PHE C . 52237 1 254 . 1 . 1 38 38 PHE CA C 13 56.891 0.200 . 1 . . . . . 626 PHE CA . 52237 1 255 . 1 . 1 38 38 PHE CB C 13 44.290 0.200 . 1 . . . . . 626 PHE CB . 52237 1 256 . 1 . 1 38 38 PHE N N 15 114.852 0.200 . 1 . . . . . 626 PHE N . 52237 1 257 . 1 . 1 39 39 SER H H 1 9.347 0.020 . 1 . . . . . 627 SER H . 52237 1 258 . 1 . 1 39 39 SER HA H 1 4.706 0.020 . 1 . . . . . 627 SER HA . 52237 1 259 . 1 . 1 39 39 SER HB2 H 1 4.442 0.020 . 1 . . . . . 627 SER HB2 . 52237 1 260 . 1 . 1 39 39 SER HB3 H 1 4.082 0.020 . 1 . . . . . 627 SER HB3 . 52237 1 261 . 1 . 1 39 39 SER C C 13 174.583 0.200 . 1 . . . . . 627 SER C . 52237 1 262 . 1 . 1 39 39 SER CA C 13 57.680 0.200 . 1 . . . . . 627 SER CA . 52237 1 263 . 1 . 1 39 39 SER CB C 13 65.017 0.200 . 1 . . . . . 627 SER CB . 52237 1 264 . 1 . 1 39 39 SER N N 15 119.341 0.200 . 1 . . . . . 627 SER N . 52237 1 265 . 1 . 1 40 40 ARG H H 1 9.095 0.020 . 1 . . . . . 628 ARG H . 52237 1 266 . 1 . 1 40 40 ARG HA H 1 3.999 0.020 . 1 . . . . . 628 ARG HA . 52237 1 267 . 1 . 1 40 40 ARG HB2 H 1 2.008 0.020 . 1 . . . . . 628 ARG HB2 . 52237 1 268 . 1 . 1 40 40 ARG HB3 H 1 1.912 0.020 . 1 . . . . . 628 ARG HB3 . 52237 1 269 . 1 . 1 40 40 ARG HG2 H 1 1.750 0.020 . 1 . . . . . 628 ARG HG2 . 52237 1 270 . 1 . 1 40 40 ARG HG3 H 1 1.650 0.020 . 1 . . . . . 628 ARG HG3 . 52237 1 271 . 1 . 1 40 40 ARG HD2 H 1 3.230 0.020 . 1 . . . . . 628 ARG HD2 . 52237 1 272 . 1 . 1 40 40 ARG HD3 H 1 3.310 0.020 . 1 . . . . . 628 ARG HD3 . 52237 1 273 . 1 . 1 40 40 ARG C C 13 178.984 0.200 . 1 . . . . . 628 ARG C . 52237 1 274 . 1 . 1 40 40 ARG CA C 13 59.732 0.200 . 1 . . . . . 628 ARG CA . 52237 1 275 . 1 . 1 40 40 ARG CB C 13 28.974 0.200 . 1 . . . . . 628 ARG CB . 52237 1 276 . 1 . 1 40 40 ARG CG C 13 26.857 0.200 . 1 . . . . . 628 ARG CG . 52237 1 277 . 1 . 1 40 40 ARG CD C 13 42.025 0.200 . 1 . . . . . 628 ARG CD . 52237 1 278 . 1 . 1 40 40 ARG N N 15 122.172 0.200 . 1 . . . . . 628 ARG N . 52237 1 279 . 1 . 1 41 41 ASP H H 1 8.426 0.020 . 1 . . . . . 629 ASP H . 52237 1 280 . 1 . 1 41 41 ASP HA H 1 4.526 0.020 . 1 . . . . . 629 ASP HA . 52237 1 281 . 1 . 1 41 41 ASP HB2 H 1 2.766 0.020 . 1 . . . . . 629 ASP HB2 . 52237 1 282 . 1 . 1 41 41 ASP HB3 H 1 2.542 0.020 . 1 . . . . . 629 ASP HB3 . 52237 1 283 . 1 . 1 41 41 ASP C C 13 178.348 0.200 . 1 . . . . . 629 ASP C . 52237 1 284 . 1 . 1 41 41 ASP CA C 13 57.545 0.200 . 1 . . . . . 629 ASP CA . 52237 1 285 . 1 . 1 41 41 ASP CB C 13 40.634 0.200 . 1 . . . . . 629 ASP CB . 52237 1 286 . 1 . 1 41 41 ASP N N 15 118.053 0.200 . 1 . . . . . 629 ASP N . 52237 1 287 . 1 . 1 42 42 ASP H H 1 8.318 0.020 . 1 . . . . . 630 ASP H . 52237 1 288 . 1 . 1 42 42 ASP HA H 1 4.465 0.020 . 1 . . . . . 630 ASP HA . 52237 1 289 . 1 . 1 42 42 ASP HB2 H 1 3.172 0.020 . 1 . . . . . 630 ASP HB2 . 52237 1 290 . 1 . 1 42 42 ASP HB3 H 1 2.961 0.020 . 1 . . . . . 630 ASP HB3 . 52237 1 291 . 1 . 1 42 42 ASP C C 13 179.799 0.200 . 1 . . . . . 630 ASP C . 52237 1 292 . 1 . 1 42 42 ASP CA C 13 57.455 0.200 . 1 . . . . . 630 ASP CA . 52237 1 293 . 1 . 1 42 42 ASP CB C 13 41.185 0.200 . 1 . . . . . 630 ASP CB . 52237 1 294 . 1 . 1 42 42 ASP N N 15 121.195 0.200 . 1 . . . . . 630 ASP N . 52237 1 295 . 1 . 1 43 43 ALA H H 1 8.586 0.020 . 1 . . . . . 631 ALA H . 52237 1 296 . 1 . 1 43 43 ALA HA H 1 3.925 0.020 . 1 . . . . . 631 ALA HA . 52237 1 297 . 1 . 1 43 43 ALA HB1 H 1 1.267 0.020 . 1 . . . . . 631 ALA HB . 52237 1 298 . 1 . 1 43 43 ALA HB2 H 1 1.267 0.020 . 1 . . . . . 631 ALA HB . 52237 1 299 . 1 . 1 43 43 ALA HB3 H 1 1.267 0.020 . 1 . . . . . 631 ALA HB . 52237 1 300 . 1 . 1 43 43 ALA C C 13 178.232 0.200 . 1 . . . . . 631 ALA C . 52237 1 301 . 1 . 1 43 43 ALA CA C 13 55.762 0.200 . 1 . . . . . 631 ALA CA . 52237 1 302 . 1 . 1 43 43 ALA CB C 13 18.056 0.200 . 1 . . . . . 631 ALA CB . 52237 1 303 . 1 . 1 43 43 ALA N N 15 123.210 0.200 . 1 . . . . . 631 ALA N . 52237 1 304 . 1 . 1 44 44 LYS H H 1 7.687 0.020 . 1 . . . . . 632 LYS H . 52237 1 305 . 1 . 1 44 44 LYS HA H 1 3.812 0.020 . 1 . . . . . 632 LYS HA . 52237 1 306 . 1 . 1 44 44 LYS HB2 H 1 1.965 0.020 . 1 . . . . . 632 LYS HB2 . 52237 1 307 . 1 . 1 44 44 LYS HB3 H 1 1.965 0.020 . 1 . . . . . 632 LYS HB3 . 52237 1 308 . 1 . 1 44 44 LYS HG2 H 1 1.286 0.020 . 1 . . . . . 632 LYS HG2 . 52237 1 309 . 1 . 1 44 44 LYS HG3 H 1 1.286 0.020 . 1 . . . . . 632 LYS HG3 . 52237 1 310 . 1 . 1 44 44 LYS HD2 H 1 1.677 0.020 . 1 . . . . . 632 LYS HD2 . 52237 1 311 . 1 . 1 44 44 LYS HD3 H 1 1.677 0.020 . 1 . . . . . 632 LYS HD3 . 52237 1 312 . 1 . 1 44 44 LYS HE2 H 1 3.033 0.020 . 1 . . . . . 632 LYS HE2 . 52237 1 313 . 1 . 1 44 44 LYS HE3 H 1 3.033 0.020 . 1 . . . . . 632 LYS HE3 . 52237 1 314 . 1 . 1 44 44 LYS C C 13 178.193 0.200 . 1 . . . . . 632 LYS C . 52237 1 315 . 1 . 1 44 44 LYS CA C 13 60.773 0.200 . 1 . . . . . 632 LYS CA . 52237 1 316 . 1 . 1 44 44 LYS CB C 13 32.113 0.200 . 1 . . . . . 632 LYS CB . 52237 1 317 . 1 . 1 44 44 LYS CG C 13 25.278 0.200 . 1 . . . . . 632 LYS CG . 52237 1 318 . 1 . 1 44 44 LYS CD C 13 29.763 0.200 . 1 . . . . . 632 LYS CD . 52237 1 319 . 1 . 1 44 44 LYS CE C 13 41.900 0.200 . 1 . . . . . 632 LYS CE . 52237 1 320 . 1 . 1 44 44 LYS N N 15 116.588 0.200 . 1 . . . . . 632 LYS N . 52237 1 321 . 1 . 1 45 45 GLU H H 1 8.376 0.020 . 1 . . . . . 633 GLU H . 52237 1 322 . 1 . 1 45 45 GLU HA H 1 3.944 0.020 . 1 . . . . . 633 GLU HA . 52237 1 323 . 1 . 1 45 45 GLU HB2 H 1 2.165 0.020 . 1 . . . . . 633 GLU HB2 . 52237 1 324 . 1 . 1 45 45 GLU HB3 H 1 2.165 0.020 . 1 . . . . . 633 GLU HB3 . 52237 1 325 . 1 . 1 45 45 GLU HG2 H 1 2.345 0.020 . 1 . . . . . 633 GLU HG2 . 52237 1 326 . 1 . 1 45 45 GLU HG3 H 1 2.477 0.020 . 1 . . . . . 633 GLU HG3 . 52237 1 327 . 1 . 1 45 45 GLU C C 13 178.811 0.200 . 1 . . . . . 633 GLU C . 52237 1 328 . 1 . 1 45 45 GLU CA C 13 59.500 0.200 . 1 . . . . . 633 GLU CA . 52237 1 329 . 1 . 1 45 45 GLU CB C 13 29.555 0.200 . 1 . . . . . 633 GLU CB . 52237 1 330 . 1 . 1 45 45 GLU CG C 13 36.345 0.200 . 1 . . . . . 633 GLU CG . 52237 1 331 . 1 . 1 45 45 GLU N N 15 117.779 0.200 . 1 . . . . . 633 GLU N . 52237 1 332 . 1 . 1 46 46 ALA H H 1 8.064 0.020 . 1 . . . . . 634 ALA H . 52237 1 333 . 1 . 1 46 46 ALA HA H 1 4.102 0.020 . 1 . . . . . 634 ALA HA . 52237 1 334 . 1 . 1 46 46 ALA HB1 H 1 1.525 0.020 . 1 . . . . . 634 ALA HB . 52237 1 335 . 1 . 1 46 46 ALA HB2 H 1 1.525 0.020 . 1 . . . . . 634 ALA HB . 52237 1 336 . 1 . 1 46 46 ALA HB3 H 1 1.525 0.020 . 1 . . . . . 634 ALA HB . 52237 1 337 . 1 . 1 46 46 ALA C C 13 179.977 0.200 . 1 . . . . . 634 ALA C . 52237 1 338 . 1 . 1 46 46 ALA CA C 13 54.965 0.200 . 1 . . . . . 634 ALA CA . 52237 1 339 . 1 . 1 46 46 ALA CB C 13 18.417 0.200 . 1 . . . . . 634 ALA CB . 52237 1 340 . 1 . 1 46 46 ALA N N 15 121.549 0.200 . 1 . . . . . 634 ALA N . 52237 1 341 . 1 . 1 47 47 ILE H H 1 7.581 0.020 . 1 . . . . . 635 ILE H . 52237 1 342 . 1 . 1 47 47 ILE HA H 1 3.488 0.020 . 1 . . . . . 635 ILE HA . 52237 1 343 . 1 . 1 47 47 ILE HB H 1 2.075 0.020 . 1 . . . . . 635 ILE HB . 52237 1 344 . 1 . 1 47 47 ILE HG12 H 1 0.760 0.020 . 1 . . . . . 635 ILE HG12 . 52237 1 345 . 1 . 1 47 47 ILE HG13 H 1 2.088 0.020 . 1 . . . . . 635 ILE HG13 . 52237 1 346 . 1 . 1 47 47 ILE HG21 H 1 0.654 0.020 . 1 . . . . . 635 ILE HG2 . 52237 1 347 . 1 . 1 47 47 ILE HG22 H 1 0.654 0.020 . 1 . . . . . 635 ILE HG2 . 52237 1 348 . 1 . 1 47 47 ILE HG23 H 1 0.654 0.020 . 1 . . . . . 635 ILE HG2 . 52237 1 349 . 1 . 1 47 47 ILE HD11 H 1 0.700 0.020 . 1 . . . . . 635 ILE HD1 . 52237 1 350 . 1 . 1 47 47 ILE HD12 H 1 0.700 0.020 . 1 . . . . . 635 ILE HD1 . 52237 1 351 . 1 . 1 47 47 ILE HD13 H 1 0.700 0.020 . 1 . . . . . 635 ILE HD1 . 52237 1 352 . 1 . 1 47 47 ILE C C 13 178.474 0.200 . 1 . . . . . 635 ILE C . 52237 1 353 . 1 . 1 47 47 ILE CA C 13 64.850 0.200 . 1 . . . . . 635 ILE CA . 52237 1 354 . 1 . 1 47 47 ILE CB C 13 39.023 0.200 . 1 . . . . . 635 ILE CB . 52237 1 355 . 1 . 1 47 47 ILE CG1 C 13 29.898 0.200 . 1 . . . . . 635 ILE CG1 . 52237 1 356 . 1 . 1 47 47 ILE CG2 C 13 17.040 0.200 . 1 . . . . . 635 ILE CG2 . 52237 1 357 . 1 . 1 47 47 ILE CD1 C 13 14.165 0.200 . 1 . . . . . 635 ILE CD1 . 52237 1 358 . 1 . 1 47 47 ILE N N 15 117.421 0.200 . 1 . . . . . 635 ILE N . 52237 1 359 . 1 . 1 48 48 VAL H H 1 8.250 0.020 . 1 . . . . . 636 VAL H . 52237 1 360 . 1 . 1 48 48 VAL HA H 1 4.113 0.020 . 1 . . . . . 636 VAL HA . 52237 1 361 . 1 . 1 48 48 VAL HB H 1 2.107 0.020 . 1 . . . . . 636 VAL HB . 52237 1 362 . 1 . 1 48 48 VAL HG11 H 1 1.158 0.020 . 1 . . . . . 636 VAL HG1 . 52237 1 363 . 1 . 1 48 48 VAL HG12 H 1 1.158 0.020 . 1 . . . . . 636 VAL HG1 . 52237 1 364 . 1 . 1 48 48 VAL HG13 H 1 1.158 0.020 . 1 . . . . . 636 VAL HG1 . 52237 1 365 . 1 . 1 48 48 VAL HG21 H 1 1.066 0.020 . 1 . . . . . 636 VAL HG2 . 52237 1 366 . 1 . 1 48 48 VAL HG22 H 1 1.066 0.020 . 1 . . . . . 636 VAL HG2 . 52237 1 367 . 1 . 1 48 48 VAL HG23 H 1 1.066 0.020 . 1 . . . . . 636 VAL HG2 . 52237 1 368 . 1 . 1 48 48 VAL C C 13 181.245 0.200 . 1 . . . . . 636 VAL C . 52237 1 369 . 1 . 1 48 48 VAL CA C 13 65.478 0.200 . 1 . . . . . 636 VAL CA . 52237 1 370 . 1 . 1 48 48 VAL CB C 13 32.356 0.200 . 1 . . . . . 636 VAL CB . 52237 1 371 . 1 . 1 48 48 VAL CG1 C 13 22.810 0.200 . 1 . . . . . 636 VAL CG1 . 52237 1 372 . 1 . 1 48 48 VAL CG2 C 13 21.540 0.200 . 1 . . . . . 636 VAL CG2 . 52237 1 373 . 1 . 1 48 48 VAL N N 15 121.041 0.200 . 1 . . . . . 636 VAL N . 52237 1 374 . 1 . 1 49 49 ALA H H 1 8.740 0.020 . 1 . . . . . 637 ALA H . 52237 1 375 . 1 . 1 49 49 ALA HA H 1 4.209 0.020 . 1 . . . . . 637 ALA HA . 52237 1 376 . 1 . 1 49 49 ALA HB1 H 1 1.530 0.020 . 1 . . . . . 637 ALA HB . 52237 1 377 . 1 . 1 49 49 ALA HB2 H 1 1.530 0.020 . 1 . . . . . 637 ALA HB . 52237 1 378 . 1 . 1 49 49 ALA HB3 H 1 1.530 0.020 . 1 . . . . . 637 ALA HB . 52237 1 379 . 1 . 1 49 49 ALA C C 13 178.784 0.200 . 1 . . . . . 637 ALA C . 52237 1 380 . 1 . 1 49 49 ALA CA C 13 54.920 0.200 . 1 . . . . . 637 ALA CA . 52237 1 381 . 1 . 1 49 49 ALA CB C 13 18.675 0.200 . 1 . . . . . 637 ALA CB . 52237 1 382 . 1 . 1 49 49 ALA N N 15 124.115 0.200 . 1 . . . . . 637 ALA N . 52237 1 383 . 1 . 1 50 50 ARG H H 1 6.897 0.020 . 1 . . . . . 638 ARG H . 52237 1 384 . 1 . 1 50 50 ARG HA H 1 4.543 0.020 . 1 . . . . . 638 ARG HA . 52237 1 385 . 1 . 1 50 50 ARG HB2 H 1 2.439 0.020 . 1 . . . . . 638 ARG HB2 . 52237 1 386 . 1 . 1 50 50 ARG HB3 H 1 1.495 0.020 . 1 . . . . . 638 ARG HB3 . 52237 1 387 . 1 . 1 50 50 ARG HG2 H 1 1.986 0.020 . 1 . . . . . 638 ARG HG2 . 52237 1 388 . 1 . 1 50 50 ARG HG3 H 1 1.715 0.020 . 1 . . . . . 638 ARG HG3 . 52237 1 389 . 1 . 1 50 50 ARG HD2 H 1 3.200 0.020 . 1 . . . . . 638 ARG HD2 . 52237 1 390 . 1 . 1 50 50 ARG HD3 H 1 3.200 0.020 . 1 . . . . . 638 ARG HD3 . 52237 1 391 . 1 . 1 50 50 ARG C C 13 175.419 0.200 . 1 . . . . . 638 ARG C . 52237 1 392 . 1 . 1 50 50 ARG CA C 13 55.160 0.200 . 1 . . . . . 638 ARG CA . 52237 1 393 . 1 . 1 50 50 ARG CB C 13 30.348 0.200 . 1 . . . . . 638 ARG CB . 52237 1 394 . 1 . 1 50 50 ARG CG C 13 27.898 0.200 . 1 . . . . . 638 ARG CG . 52237 1 395 . 1 . 1 50 50 ARG CD C 13 43.452 0.200 . 1 . . . . . 638 ARG CD . 52237 1 396 . 1 . 1 50 50 ARG N N 15 112.749 0.200 . 1 . . . . . 638 ARG N . 52237 1 397 . 1 . 1 51 51 GLY H H 1 8.011 0.020 . 1 . . . . . 639 GLY H . 52237 1 398 . 1 . 1 51 51 GLY HA2 H 1 4.031 0.020 . 1 . . . . . 639 GLY HA2 . 52237 1 399 . 1 . 1 51 51 GLY HA3 H 1 3.865 0.020 . 1 . . . . . 639 GLY HA3 . 52237 1 400 . 1 . 1 51 51 GLY C C 13 174.290 0.200 . 1 . . . . . 639 GLY C . 52237 1 401 . 1 . 1 51 51 GLY CA C 13 45.660 0.200 . 1 . . . . . 639 GLY CA . 52237 1 402 . 1 . 1 51 51 GLY N N 15 106.707 0.200 . 1 . . . . . 639 GLY N . 52237 1 403 . 1 . 1 52 52 GLY H H 1 8.058 0.020 . 1 . . . . . 640 GLY H . 52237 1 404 . 1 . 1 52 52 GLY HA2 H 1 4.629 0.020 . 1 . . . . . 640 GLY HA2 . 52237 1 405 . 1 . 1 52 52 GLY HA3 H 1 3.090 0.020 . 1 . . . . . 640 GLY HA3 . 52237 1 406 . 1 . 1 52 52 GLY C C 13 171.821 0.200 . 1 . . . . . 640 GLY C . 52237 1 407 . 1 . 1 52 52 GLY CA C 13 44.752 0.200 . 1 . . . . . 640 GLY CA . 52237 1 408 . 1 . 1 52 52 GLY N N 15 108.495 0.200 . 1 . . . . . 640 GLY N . 52237 1 409 . 1 . 1 53 53 LYS H H 1 8.485 0.020 . 1 . . . . . 641 LYS H . 52237 1 410 . 1 . 1 53 53 LYS HA H 1 4.606 0.020 . 1 . . . . . 641 LYS HA . 52237 1 411 . 1 . 1 53 53 LYS HB2 H 1 1.826 0.020 . 1 . . . . . 641 LYS HB2 . 52237 1 412 . 1 . 1 53 53 LYS HB3 H 1 1.826 0.020 . 1 . . . . . 641 LYS HB3 . 52237 1 413 . 1 . 1 53 53 LYS HG2 H 1 1.323 0.020 . 1 . . . . . 641 LYS HG2 . 52237 1 414 . 1 . 1 53 53 LYS HG3 H 1 1.480 0.020 . 1 . . . . . 641 LYS HG3 . 52237 1 415 . 1 . 1 53 53 LYS HD2 H 1 1.680 0.020 . 1 . . . . . 641 LYS HD2 . 52237 1 416 . 1 . 1 53 53 LYS HD3 H 1 1.710 0.020 . 1 . . . . . 641 LYS HD3 . 52237 1 417 . 1 . 1 53 53 LYS HE2 H 1 2.980 0.020 . 1 . . . . . 641 LYS HE2 . 52237 1 418 . 1 . 1 53 53 LYS HE3 H 1 3.010 0.020 . 1 . . . . . 641 LYS HE3 . 52237 1 419 . 1 . 1 53 53 LYS C C 13 174.494 0.200 . 1 . . . . . 641 LYS C . 52237 1 420 . 1 . 1 53 53 LYS CA C 13 55.081 0.200 . 1 . . . . . 641 LYS CA . 52237 1 421 . 1 . 1 53 53 LYS CB C 13 34.672 0.200 . 1 . . . . . 641 LYS CB . 52237 1 422 . 1 . 1 53 53 LYS CG C 13 25.118 0.200 . 1 . . . . . 641 LYS CG . 52237 1 423 . 1 . 1 53 53 LYS CD C 13 29.197 0.200 . 1 . . . . . 641 LYS CD . 52237 1 424 . 1 . 1 53 53 LYS CE C 13 42.086 0.200 . 1 . . . . . 641 LYS CE . 52237 1 425 . 1 . 1 53 53 LYS N N 15 118.581 0.200 . 1 . . . . . 641 LYS N . 52237 1 426 . 1 . 1 54 54 ALA H H 1 8.549 0.020 . 1 . . . . . 642 ALA H . 52237 1 427 . 1 . 1 54 54 ALA HA H 1 5.326 0.020 . 1 . . . . . 642 ALA HA . 52237 1 428 . 1 . 1 54 54 ALA HB1 H 1 1.333 0.020 . 1 . . . . . 642 ALA HB . 52237 1 429 . 1 . 1 54 54 ALA HB2 H 1 1.333 0.020 . 1 . . . . . 642 ALA HB . 52237 1 430 . 1 . 1 54 54 ALA HB3 H 1 1.333 0.020 . 1 . . . . . 642 ALA HB . 52237 1 431 . 1 . 1 54 54 ALA C C 13 176.270 0.200 . 1 . . . . . 642 ALA C . 52237 1 432 . 1 . 1 54 54 ALA CA C 13 50.087 0.200 . 1 . . . . . 642 ALA CA . 52237 1 433 . 1 . 1 54 54 ALA CB C 13 19.221 0.200 . 1 . . . . . 642 ALA CB . 52237 1 434 . 1 . 1 54 54 ALA N N 15 129.022 0.200 . 1 . . . . . 642 ALA N . 52237 1 435 . 1 . 1 55 55 ALA H H 1 8.142 0.020 . 1 . . . . . 643 ALA H . 52237 1 436 . 1 . 1 55 55 ALA HA H 1 4.684 0.020 . 1 . . . . . 643 ALA HA . 52237 1 437 . 1 . 1 55 55 ALA HB1 H 1 1.376 0.020 . 1 . . . . . 643 ALA HB . 52237 1 438 . 1 . 1 55 55 ALA HB2 H 1 1.376 0.020 . 1 . . . . . 643 ALA HB . 52237 1 439 . 1 . 1 55 55 ALA HB3 H 1 1.376 0.020 . 1 . . . . . 643 ALA HB . 52237 1 440 . 1 . 1 55 55 ALA CA C 13 51.090 0.200 . 1 . . . . . 643 ALA CA . 52237 1 441 . 1 . 1 55 55 ALA CB C 13 22.537 0.200 . 1 . . . . . 643 ALA CB . 52237 1 442 . 1 . 1 55 55 ALA N N 15 126.512 0.200 . 1 . . . . . 643 ALA N . 52237 1 443 . 1 . 1 56 56 GLY H H 1 8.354 0.020 . 1 . . . . . 644 GLY H . 52237 1 444 . 1 . 1 56 56 GLY HA2 H 1 3.803 0.020 . 1 . . . . . 644 GLY HA2 . 52237 1 445 . 1 . 1 56 56 GLY HA3 H 1 4.415 0.020 . 1 . . . . . 644 GLY HA3 . 52237 1 446 . 1 . 1 56 56 GLY C C 13 173.711 0.200 . 1 . . . . . 644 GLY C . 52237 1 447 . 1 . 1 56 56 GLY CA C 13 45.468 0.200 . 1 . . . . . 644 GLY CA . 52237 1 448 . 1 . 1 56 56 GLY N N 15 108.797 0.200 . 1 . . . . . 644 GLY N . 52237 1 449 . 1 . 1 57 57 SER H H 1 7.381 0.020 . 1 . . . . . 645 SER H . 52237 1 450 . 1 . 1 57 57 SER HA H 1 4.782 0.020 . 1 . . . . . 645 SER HA . 52237 1 451 . 1 . 1 57 57 SER HB2 H 1 3.709 0.020 . 1 . . . . . 645 SER HB2 . 52237 1 452 . 1 . 1 57 57 SER HB3 H 1 3.792 0.020 . 1 . . . . . 645 SER HB3 . 52237 1 453 . 1 . 1 57 57 SER C C 13 171.978 0.200 . 1 . . . . . 645 SER C . 52237 1 454 . 1 . 1 57 57 SER CA C 13 56.666 0.200 . 1 . . . . . 645 SER CA . 52237 1 455 . 1 . 1 57 57 SER CB C 13 65.319 0.200 . 1 . . . . . 645 SER CB . 52237 1 456 . 1 . 1 57 57 SER N N 15 112.836 0.200 . 1 . . . . . 645 SER N . 52237 1 457 . 1 . 1 58 58 VAL H H 1 8.734 0.020 . 1 . . . . . 646 VAL H . 52237 1 458 . 1 . 1 58 58 VAL HA H 1 4.039 0.020 . 1 . . . . . 646 VAL HA . 52237 1 459 . 1 . 1 58 58 VAL HB H 1 1.854 0.020 . 1 . . . . . 646 VAL HB . 52237 1 460 . 1 . 1 58 58 VAL HG11 H 1 1.005 0.020 . 1 . . . . . 646 VAL HG1 . 52237 1 461 . 1 . 1 58 58 VAL HG12 H 1 1.005 0.020 . 1 . . . . . 646 VAL HG1 . 52237 1 462 . 1 . 1 58 58 VAL HG13 H 1 1.005 0.020 . 1 . . . . . 646 VAL HG1 . 52237 1 463 . 1 . 1 58 58 VAL HG21 H 1 0.728 0.020 . 1 . . . . . 646 VAL HG2 . 52237 1 464 . 1 . 1 58 58 VAL HG22 H 1 0.728 0.020 . 1 . . . . . 646 VAL HG2 . 52237 1 465 . 1 . 1 58 58 VAL HG23 H 1 0.728 0.020 . 1 . . . . . 646 VAL HG2 . 52237 1 466 . 1 . 1 58 58 VAL C C 13 174.313 0.200 . 1 . . . . . 646 VAL C . 52237 1 467 . 1 . 1 58 58 VAL CA C 13 62.479 0.200 . 1 . . . . . 646 VAL CA . 52237 1 468 . 1 . 1 58 58 VAL CB C 13 32.655 0.200 . 1 . . . . . 646 VAL CB . 52237 1 469 . 1 . 1 58 58 VAL CG1 C 13 23.208 0.200 . 1 . . . . . 646 VAL CG1 . 52237 1 470 . 1 . 1 58 58 VAL CG2 C 13 22.010 0.200 . 1 . . . . . 646 VAL CG2 . 52237 1 471 . 1 . 1 58 58 VAL N N 15 124.476 0.200 . 1 . . . . . 646 VAL N . 52237 1 472 . 1 . 1 59 59 SER H H 1 9.341 0.020 . 1 . . . . . 647 SER H . 52237 1 473 . 1 . 1 59 59 SER HA H 1 4.623 0.020 . 1 . . . . . 647 SER HA . 52237 1 474 . 1 . 1 59 59 SER HB2 H 1 3.732 0.020 . 1 . . . . . 647 SER HB2 . 52237 1 475 . 1 . 1 59 59 SER HB3 H 1 4.206 0.020 . 1 . . . . . 647 SER HB3 . 52237 1 476 . 1 . 1 59 59 SER C C 13 174.060 0.200 . 1 . . . . . 647 SER C . 52237 1 477 . 1 . 1 59 59 SER CA C 13 57.837 0.200 . 1 . . . . . 647 SER CA . 52237 1 478 . 1 . 1 59 59 SER CB C 13 67.684 0.200 . 1 . . . . . 647 SER CB . 52237 1 479 . 1 . 1 59 59 SER N N 15 124.117 0.200 . 1 . . . . . 647 SER N . 52237 1 480 . 1 . 1 60 60 LYS H H 1 8.738 0.020 . 1 . . . . . 648 LYS H . 52237 1 481 . 1 . 1 60 60 LYS HA H 1 4.058 0.020 . 1 . . . . . 648 LYS HA . 52237 1 482 . 1 . 1 60 60 LYS HB2 H 1 1.912 0.020 . 1 . . . . . 648 LYS HB2 . 52237 1 483 . 1 . 1 60 60 LYS HB3 H 1 1.870 0.020 . 1 . . . . . 648 LYS HB3 . 52237 1 484 . 1 . 1 60 60 LYS HG2 H 1 1.563 0.020 . 1 . . . . . 648 LYS HG2 . 52237 1 485 . 1 . 1 60 60 LYS HG3 H 1 1.563 0.020 . 1 . . . . . 648 LYS HG3 . 52237 1 486 . 1 . 1 60 60 LYS HD2 H 1 1.740 0.020 . 1 . . . . . 648 LYS HD2 . 52237 1 487 . 1 . 1 60 60 LYS HD3 H 1 1.710 0.020 . 1 . . . . . 648 LYS HD3 . 52237 1 488 . 1 . 1 60 60 LYS HE2 H 1 3.020 0.020 . 1 . . . . . 648 LYS HE2 . 52237 1 489 . 1 . 1 60 60 LYS HE3 H 1 3.000 0.020 . 1 . . . . . 648 LYS HE3 . 52237 1 490 . 1 . 1 60 60 LYS C C 13 177.087 0.200 . 1 . . . . . 648 LYS C . 52237 1 491 . 1 . 1 60 60 LYS CA C 13 58.668 0.200 . 1 . . . . . 648 LYS CA . 52237 1 492 . 1 . 1 60 60 LYS CB C 13 32.254 0.200 . 1 . . . . . 648 LYS CB . 52237 1 493 . 1 . 1 60 60 LYS CG C 13 26.028 0.200 . 1 . . . . . 648 LYS CG . 52237 1 494 . 1 . 1 60 60 LYS CD C 13 29.313 0.200 . 1 . . . . . 648 LYS CD . 52237 1 495 . 1 . 1 60 60 LYS CE C 13 41.900 0.200 . 1 . . . . . 648 LYS CE . 52237 1 496 . 1 . 1 60 60 LYS N N 15 117.639 0.200 . 1 . . . . . 648 LYS N . 52237 1 497 . 1 . 1 61 61 LYS H H 1 7.925 0.020 . 1 . . . . . 649 LYS H . 52237 1 498 . 1 . 1 61 61 LYS HA H 1 4.231 0.020 . 1 . . . . . 649 LYS HA . 52237 1 499 . 1 . 1 61 61 LYS HB2 H 1 1.915 0.020 . 1 . . . . . 649 LYS HB2 . 52237 1 500 . 1 . 1 61 61 LYS HB3 H 1 1.502 0.020 . 1 . . . . . 649 LYS HB3 . 52237 1 501 . 1 . 1 61 61 LYS HG2 H 1 1.362 0.020 . 1 . . . . . 649 LYS HG2 . 52237 1 502 . 1 . 1 61 61 LYS HG3 H 1 1.447 0.020 . 1 . . . . . 649 LYS HG3 . 52237 1 503 . 1 . 1 61 61 LYS HD2 H 1 1.652 0.020 . 1 . . . . . 649 LYS HD2 . 52237 1 504 . 1 . 1 61 61 LYS HD3 H 1 1.690 0.020 . 1 . . . . . 649 LYS HD3 . 52237 1 505 . 1 . 1 61 61 LYS HE2 H 1 2.980 0.020 . 1 . . . . . 649 LYS HE2 . 52237 1 506 . 1 . 1 61 61 LYS HE3 H 1 3.010 0.020 . 1 . . . . . 649 LYS HE3 . 52237 1 507 . 1 . 1 61 61 LYS C C 13 176.580 0.200 . 1 . . . . . 649 LYS C . 52237 1 508 . 1 . 1 61 61 LYS CA C 13 55.858 0.200 . 1 . . . . . 649 LYS CA . 52237 1 509 . 1 . 1 61 61 LYS CB C 13 32.803 0.200 . 1 . . . . . 649 LYS CB . 52237 1 510 . 1 . 1 61 61 LYS CG C 13 25.370 0.200 . 1 . . . . . 649 LYS CG . 52237 1 511 . 1 . 1 61 61 LYS CD C 13 28.762 0.200 . 1 . . . . . 649 LYS CD . 52237 1 512 . 1 . 1 61 61 LYS CE C 13 41.900 0.200 . 1 . . . . . 649 LYS CE . 52237 1 513 . 1 . 1 61 61 LYS N N 15 116.014 0.200 . 1 . . . . . 649 LYS N . 52237 1 514 . 1 . 1 62 62 THR H H 1 7.670 0.020 . 1 . . . . . 650 THR H . 52237 1 515 . 1 . 1 62 62 THR HA H 1 3.505 0.020 . 1 . . . . . 650 THR HA . 52237 1 516 . 1 . 1 62 62 THR HB H 1 4.048 0.020 . 1 . . . . . 650 THR HB . 52237 1 517 . 1 . 1 62 62 THR HG21 H 1 1.120 0.020 . 1 . . . . . 650 THR HG2 . 52237 1 518 . 1 . 1 62 62 THR HG22 H 1 1.120 0.020 . 1 . . . . . 650 THR HG2 . 52237 1 519 . 1 . 1 62 62 THR HG23 H 1 1.120 0.020 . 1 . . . . . 650 THR HG2 . 52237 1 520 . 1 . 1 62 62 THR C C 13 172.805 0.200 . 1 . . . . . 650 THR C . 52237 1 521 . 1 . 1 62 62 THR CA C 13 65.367 0.200 . 1 . . . . . 650 THR CA . 52237 1 522 . 1 . 1 62 62 THR CB C 13 68.815 0.200 . 1 . . . . . 650 THR CB . 52237 1 523 . 1 . 1 62 62 THR CG2 C 13 25.616 0.200 . 1 . . . . . 650 THR CG2 . 52237 1 524 . 1 . 1 62 62 THR N N 15 118.575 0.200 . 1 . . . . . 650 THR N . 52237 1 525 . 1 . 1 63 63 ASN H H 1 8.807 0.020 . 1 . . . . . 651 ASN H . 52237 1 526 . 1 . 1 63 63 ASN HA H 1 4.432 0.020 . 1 . . . . . 651 ASN HA . 52237 1 527 . 1 . 1 63 63 ASN HB2 H 1 2.682 0.020 . 1 . . . . . 651 ASN HB2 . 52237 1 528 . 1 . 1 63 63 ASN HB3 H 1 2.592 0.020 . 1 . . . . . 651 ASN HB3 . 52237 1 529 . 1 . 1 63 63 ASN HD21 H 1 7.170 0.020 . 1 . . . . . 651 ASN HD21 . 52237 1 530 . 1 . 1 63 63 ASN HD22 H 1 7.933 0.020 . 1 . . . . . 651 ASN HD22 . 52237 1 531 . 1 . 1 63 63 ASN C C 13 173.572 0.200 . 1 . . . . . 651 ASN C . 52237 1 532 . 1 . 1 63 63 ASN CA C 13 57.706 0.200 . 1 . . . . . 651 ASN CA . 52237 1 533 . 1 . 1 63 63 ASN CB C 13 41.720 0.200 . 1 . . . . . 651 ASN CB . 52237 1 534 . 1 . 1 63 63 ASN N N 15 123.111 0.200 . 1 . . . . . 651 ASN N . 52237 1 535 . 1 . 1 63 63 ASN ND2 N 15 110.839 0.200 . 1 . . . . . 651 ASN ND2 . 52237 1 536 . 1 . 1 64 64 TYR H H 1 7.214 0.020 . 1 . . . . . 652 TYR H . 52237 1 537 . 1 . 1 64 64 TYR HA H 1 4.988 0.020 . 1 . . . . . 652 TYR HA . 52237 1 538 . 1 . 1 64 64 TYR HB2 H 1 2.420 0.020 . 1 . . . . . 652 TYR HB2 . 52237 1 539 . 1 . 1 64 64 TYR HB3 H 1 2.726 0.020 . 1 . . . . . 652 TYR HB3 . 52237 1 540 . 1 . 1 64 64 TYR C C 13 174.066 0.200 . 1 . . . . . 652 TYR C . 52237 1 541 . 1 . 1 64 64 TYR CA C 13 57.527 0.200 . 1 . . . . . 652 TYR CA . 52237 1 542 . 1 . 1 64 64 TYR CB C 13 44.710 0.200 . 1 . . . . . 652 TYR CB . 52237 1 543 . 1 . 1 64 64 TYR N N 15 109.157 0.200 . 1 . . . . . 652 TYR N . 52237 1 544 . 1 . 1 65 65 VAL H H 1 8.748 0.020 . 1 . . . . . 653 VAL H . 52237 1 545 . 1 . 1 65 65 VAL HA H 1 4.912 0.020 . 1 . . . . . 653 VAL HA . 52237 1 546 . 1 . 1 65 65 VAL HB H 1 1.775 0.020 . 1 . . . . . 653 VAL HB . 52237 1 547 . 1 . 1 65 65 VAL HG11 H 1 0.657 0.020 . 1 . . . . . 653 VAL HG1 . 52237 1 548 . 1 . 1 65 65 VAL HG12 H 1 0.657 0.020 . 1 . . . . . 653 VAL HG1 . 52237 1 549 . 1 . 1 65 65 VAL HG13 H 1 0.657 0.020 . 1 . . . . . 653 VAL HG1 . 52237 1 550 . 1 . 1 65 65 VAL HG21 H 1 0.886 0.020 . 1 . . . . . 653 VAL HG2 . 52237 1 551 . 1 . 1 65 65 VAL HG22 H 1 0.886 0.020 . 1 . . . . . 653 VAL HG2 . 52237 1 552 . 1 . 1 65 65 VAL HG23 H 1 0.886 0.020 . 1 . . . . . 653 VAL HG2 . 52237 1 553 . 1 . 1 65 65 VAL C C 13 174.152 0.200 . 1 . . . . . 653 VAL C . 52237 1 554 . 1 . 1 65 65 VAL CA C 13 60.526 0.200 . 1 . . . . . 653 VAL CA . 52237 1 555 . 1 . 1 65 65 VAL CB C 13 35.146 0.200 . 1 . . . . . 653 VAL CB . 52237 1 556 . 1 . 1 65 65 VAL CG1 C 13 21.018 0.200 . 1 . . . . . 653 VAL CG1 . 52237 1 557 . 1 . 1 65 65 VAL CG2 C 13 24.369 0.200 . 1 . . . . . 653 VAL CG2 . 52237 1 558 . 1 . 1 65 65 VAL N N 15 122.012 0.200 . 1 . . . . . 653 VAL N . 52237 1 559 . 1 . 1 66 66 VAL H H 1 9.095 0.020 . 1 . . . . . 654 VAL H . 52237 1 560 . 1 . 1 66 66 VAL HA H 1 4.357 0.020 . 1 . . . . . 654 VAL HA . 52237 1 561 . 1 . 1 66 66 VAL HB H 1 1.509 0.020 . 1 . . . . . 654 VAL HB . 52237 1 562 . 1 . 1 66 66 VAL HG11 H 1 0.214 0.020 . 1 . . . . . 654 VAL HG1 . 52237 1 563 . 1 . 1 66 66 VAL HG12 H 1 0.214 0.020 . 1 . . . . . 654 VAL HG1 . 52237 1 564 . 1 . 1 66 66 VAL HG13 H 1 0.214 0.020 . 1 . . . . . 654 VAL HG1 . 52237 1 565 . 1 . 1 66 66 VAL HG21 H 1 0.294 0.020 . 1 . . . . . 654 VAL HG2 . 52237 1 566 . 1 . 1 66 66 VAL HG22 H 1 0.294 0.020 . 1 . . . . . 654 VAL HG2 . 52237 1 567 . 1 . 1 66 66 VAL HG23 H 1 0.294 0.020 . 1 . . . . . 654 VAL HG2 . 52237 1 568 . 1 . 1 66 66 VAL C C 13 173.317 0.200 . 1 . . . . . 654 VAL C . 52237 1 569 . 1 . 1 66 66 VAL CA C 13 60.791 0.200 . 1 . . . . . 654 VAL CA . 52237 1 570 . 1 . 1 66 66 VAL CB C 13 32.758 0.200 . 1 . . . . . 654 VAL CB . 52237 1 571 . 1 . 1 66 66 VAL CG1 C 13 19.913 0.200 . 1 . . . . . 654 VAL CG1 . 52237 1 572 . 1 . 1 66 66 VAL CG2 C 13 20.619 0.200 . 1 . . . . . 654 VAL CG2 . 52237 1 573 . 1 . 1 66 66 VAL N N 15 128.341 0.200 . 1 . . . . . 654 VAL N . 52237 1 574 . 1 . 1 67 67 ALA H H 1 8.935 0.020 . 1 . . . . . 655 ALA H . 52237 1 575 . 1 . 1 67 67 ALA HA H 1 5.064 0.020 . 1 . . . . . 655 ALA HA . 52237 1 576 . 1 . 1 67 67 ALA HB1 H 1 1.276 0.020 . 1 . . . . . 655 ALA HB . 52237 1 577 . 1 . 1 67 67 ALA HB2 H 1 1.276 0.020 . 1 . . . . . 655 ALA HB . 52237 1 578 . 1 . 1 67 67 ALA HB3 H 1 1.276 0.020 . 1 . . . . . 655 ALA HB . 52237 1 579 . 1 . 1 67 67 ALA C C 13 176.840 0.200 . 1 . . . . . 655 ALA C . 52237 1 580 . 1 . 1 67 67 ALA CA C 13 50.140 0.200 . 1 . . . . . 655 ALA CA . 52237 1 581 . 1 . 1 67 67 ALA CB C 13 21.581 0.200 . 1 . . . . . 655 ALA CB . 52237 1 582 . 1 . 1 67 67 ALA N N 15 130.044 0.200 . 1 . . . . . 655 ALA N . 52237 1 583 . 1 . 1 68 68 GLY H H 1 8.534 0.020 . 1 . . . . . 656 GLY H . 52237 1 584 . 1 . 1 68 68 GLY HA2 H 1 3.216 0.020 . 1 . . . . . 656 GLY HA2 . 52237 1 585 . 1 . 1 68 68 GLY HA3 H 1 4.394 0.020 . 1 . . . . . 656 GLY HA3 . 52237 1 586 . 1 . 1 68 68 GLY C C 13 172.867 0.200 . 1 . . . . . 656 GLY C . 52237 1 587 . 1 . 1 68 68 GLY CA C 13 43.561 0.200 . 1 . . . . . 656 GLY CA . 52237 1 588 . 1 . 1 68 68 GLY N N 15 110.339 0.200 . 1 . . . . . 656 GLY N . 52237 1 589 . 1 . 1 69 69 ASP H H 1 8.548 0.020 . 1 . . . . . 657 ASP H . 52237 1 590 . 1 . 1 69 69 ASP HA H 1 4.461 0.020 . 1 . . . . . 657 ASP HA . 52237 1 591 . 1 . 1 69 69 ASP HB2 H 1 2.672 0.020 . 1 . . . . . 657 ASP HB2 . 52237 1 592 . 1 . 1 69 69 ASP HB3 H 1 2.672 0.020 . 1 . . . . . 657 ASP HB3 . 52237 1 593 . 1 . 1 69 69 ASP C C 13 176.848 0.200 . 1 . . . . . 657 ASP C . 52237 1 594 . 1 . 1 69 69 ASP CA C 13 55.585 0.200 . 1 . . . . . 657 ASP CA . 52237 1 595 . 1 . 1 69 69 ASP CB C 13 42.610 0.200 . 1 . . . . . 657 ASP CB . 52237 1 596 . 1 . 1 69 69 ASP N N 15 121.050 0.200 . 1 . . . . . 657 ASP N . 52237 1 597 . 1 . 1 70 70 SER H H 1 9.034 0.020 . 1 . . . . . 658 SER H . 52237 1 598 . 1 . 1 70 70 SER HA H 1 4.141 0.020 . 1 . . . . . 658 SER HA . 52237 1 599 . 1 . 1 70 70 SER HB2 H 1 3.936 0.020 . 1 . . . . . 658 SER HB2 . 52237 1 600 . 1 . 1 70 70 SER HB3 H 1 3.936 0.020 . 1 . . . . . 658 SER HB3 . 52237 1 601 . 1 . 1 70 70 SER CA C 13 58.262 0.200 . 1 . . . . . 658 SER CA . 52237 1 602 . 1 . 1 70 70 SER CB C 13 61.935 0.200 . 1 . . . . . 658 SER CB . 52237 1 603 . 1 . 1 70 70 SER N N 15 114.115 0.200 . 1 . . . . . 658 SER N . 52237 1 604 . 1 . 1 71 71 PRO HA H 1 4.180 0.020 . 1 . . . . . 659 PRO HA . 52237 1 605 . 1 . 1 71 71 PRO HB2 H 1 2.310 0.020 . 1 . . . . . 659 PRO HB2 . 52237 1 606 . 1 . 1 71 71 PRO HB3 H 1 2.290 0.020 . 1 . . . . . 659 PRO HB3 . 52237 1 607 . 1 . 1 71 71 PRO HG2 H 1 2.010 0.020 . 1 . . . . . 659 PRO HG2 . 52237 1 608 . 1 . 1 71 71 PRO HG3 H 1 2.040 0.020 . 1 . . . . . 659 PRO HG3 . 52237 1 609 . 1 . 1 71 71 PRO HD2 H 1 3.690 0.020 . 1 . . . . . 659 PRO HD2 . 52237 1 610 . 1 . 1 71 71 PRO HD3 H 1 3.690 0.020 . 1 . . . . . 659 PRO HD3 . 52237 1 611 . 1 . 1 71 71 PRO C C 13 177.440 0.200 . 1 . . . . . 659 PRO C . 52237 1 612 . 1 . 1 71 71 PRO CA C 13 63.900 0.200 . 1 . . . . . 659 PRO CA . 52237 1 613 . 1 . 1 71 71 PRO CB C 13 32.300 0.200 . 1 . . . . . 659 PRO CB . 52237 1 614 . 1 . 1 71 71 PRO CG C 13 27.600 0.200 . 1 . . . . . 659 PRO CG . 52237 1 615 . 1 . 1 71 71 PRO CD C 13 51.100 0.200 . 1 . . . . . 659 PRO CD . 52237 1 616 . 1 . 1 72 72 GLY H H 1 8.389 0.020 . 1 . . . . . 660 GLY H . 52237 1 617 . 1 . 1 72 72 GLY HA2 H 1 4.020 0.020 . 1 . . . . . 660 GLY HA2 . 52237 1 618 . 1 . 1 72 72 GLY HA3 H 1 4.000 0.020 . 1 . . . . . 660 GLY HA3 . 52237 1 619 . 1 . 1 72 72 GLY CA C 13 45.433 0.200 . 1 . . . . . 660 GLY CA . 52237 1 620 . 1 . 1 72 72 GLY N N 15 109.305 0.200 . 1 . . . . . 660 GLY N . 52237 1 621 . 1 . 1 73 73 SER H H 1 8.121 0.020 . 1 . . . . . 661 SER H . 52237 1 622 . 1 . 1 73 73 SER HA H 1 4.375 0.020 . 1 . . . . . 661 SER HA . 52237 1 623 . 1 . 1 73 73 SER HB2 H 1 4.031 0.020 . 1 . . . . . 661 SER HB2 . 52237 1 624 . 1 . 1 73 73 SER HB3 H 1 4.006 0.020 . 1 . . . . . 661 SER HB3 . 52237 1 625 . 1 . 1 73 73 SER C C 13 176.743 0.200 . 1 . . . . . 661 SER C . 52237 1 626 . 1 . 1 73 73 SER CA C 13 61.443 0.200 . 1 . . . . . 661 SER CA . 52237 1 627 . 1 . 1 73 73 SER CB C 13 63.132 0.200 . 1 . . . . . 661 SER CB . 52237 1 628 . 1 . 1 73 73 SER N N 15 115.409 0.200 . 1 . . . . . 661 SER N . 52237 1 629 . 1 . 1 74 74 LYS H H 1 8.606 0.020 . 1 . . . . . 662 LYS H . 52237 1 630 . 1 . 1 74 74 LYS HA H 1 4.090 0.020 . 1 . . . . . 662 LYS HA . 52237 1 631 . 1 . 1 74 74 LYS HB2 H 1 1.834 0.020 . 1 . . . . . 662 LYS HB2 . 52237 1 632 . 1 . 1 74 74 LYS HB3 H 1 1.603 0.020 . 1 . . . . . 662 LYS HB3 . 52237 1 633 . 1 . 1 74 74 LYS HG2 H 1 1.430 0.020 . 1 . . . . . 662 LYS HG2 . 52237 1 634 . 1 . 1 74 74 LYS HG3 H 1 1.450 0.020 . 1 . . . . . 662 LYS HG3 . 52237 1 635 . 1 . 1 74 74 LYS HD2 H 1 1.700 0.020 . 1 . . . . . 662 LYS HD2 . 52237 1 636 . 1 . 1 74 74 LYS HD3 H 1 1.680 0.020 . 1 . . . . . 662 LYS HD3 . 52237 1 637 . 1 . 1 74 74 LYS HE2 H 1 3.000 0.020 . 1 . . . . . 662 LYS HE2 . 52237 1 638 . 1 . 1 74 74 LYS HE3 H 1 3.020 0.020 . 1 . . . . . 662 LYS HE3 . 52237 1 639 . 1 . 1 74 74 LYS C C 13 178.314 0.200 . 1 . . . . . 662 LYS C . 52237 1 640 . 1 . 1 74 74 LYS CA C 13 60.454 0.200 . 1 . . . . . 662 LYS CA . 52237 1 641 . 1 . 1 74 74 LYS CB C 13 33.040 0.200 . 1 . . . . . 662 LYS CB . 52237 1 642 . 1 . 1 74 74 LYS CG C 13 24.800 0.200 . 1 . . . . . 662 LYS CG . 52237 1 643 . 1 . 1 74 74 LYS CD C 13 26.990 0.200 . 1 . . . . . 662 LYS CD . 52237 1 644 . 1 . 1 74 74 LYS CE C 13 42.150 0.200 . 1 . . . . . 662 LYS CE . 52237 1 645 . 1 . 1 74 74 LYS N N 15 122.404 0.200 . 1 . . . . . 662 LYS N . 52237 1 646 . 1 . 1 75 75 TYR H H 1 7.404 0.020 . 1 . . . . . 663 TYR H . 52237 1 647 . 1 . 1 75 75 TYR HA H 1 3.868 0.020 . 1 . . . . . 663 TYR HA . 52237 1 648 . 1 . 1 75 75 TYR HB2 H 1 3.304 0.020 . 1 . . . . . 663 TYR HB2 . 52237 1 649 . 1 . 1 75 75 TYR HB3 H 1 2.678 0.020 . 1 . . . . . 663 TYR HB3 . 52237 1 650 . 1 . 1 75 75 TYR C C 13 175.502 0.200 . 1 . . . . . 663 TYR C . 52237 1 651 . 1 . 1 75 75 TYR CA C 13 61.701 0.200 . 1 . . . . . 663 TYR CA . 52237 1 652 . 1 . 1 75 75 TYR CB C 13 39.374 0.200 . 1 . . . . . 663 TYR CB . 52237 1 653 . 1 . 1 75 75 TYR N N 15 117.836 0.200 . 1 . . . . . 663 TYR N . 52237 1 654 . 1 . 1 76 76 ASP H H 1 7.177 0.020 . 1 . . . . . 664 ASP H . 52237 1 655 . 1 . 1 76 76 ASP HA H 1 4.212 0.020 . 1 . . . . . 664 ASP HA . 52237 1 656 . 1 . 1 76 76 ASP HB2 H 1 2.756 0.020 . 1 . . . . . 664 ASP HB2 . 52237 1 657 . 1 . 1 76 76 ASP HB3 H 1 2.756 0.020 . 1 . . . . . 664 ASP HB3 . 52237 1 658 . 1 . 1 76 76 ASP C C 13 179.125 0.200 . 1 . . . . . 664 ASP C . 52237 1 659 . 1 . 1 76 76 ASP CA C 13 57.579 0.200 . 1 . . . . . 664 ASP CA . 52237 1 660 . 1 . 1 76 76 ASP CB C 13 40.245 0.200 . 1 . . . . . 664 ASP CB . 52237 1 661 . 1 . 1 76 76 ASP N N 15 118.196 0.200 . 1 . . . . . 664 ASP N . 52237 1 662 . 1 . 1 77 77 LYS H H 1 8.201 0.020 . 1 . . . . . 665 LYS H . 52237 1 663 . 1 . 1 77 77 LYS HA H 1 4.104 0.020 . 1 . . . . . 665 LYS HA . 52237 1 664 . 1 . 1 77 77 LYS HB2 H 1 1.895 0.020 . 1 . . . . . 665 LYS HB2 . 52237 1 665 . 1 . 1 77 77 LYS HB3 H 1 1.752 0.020 . 1 . . . . . 665 LYS HB3 . 52237 1 666 . 1 . 1 77 77 LYS HG2 H 1 1.400 0.020 . 1 . . . . . 665 LYS HG2 . 52237 1 667 . 1 . 1 77 77 LYS HG3 H 1 1.485 0.020 . 1 . . . . . 665 LYS HG3 . 52237 1 668 . 1 . 1 77 77 LYS HD2 H 1 1.708 0.020 . 1 . . . . . 665 LYS HD2 . 52237 1 669 . 1 . 1 77 77 LYS HD3 H 1 1.708 0.020 . 1 . . . . . 665 LYS HD3 . 52237 1 670 . 1 . 1 77 77 LYS HE2 H 1 3.000 0.020 . 1 . . . . . 665 LYS HE2 . 52237 1 671 . 1 . 1 77 77 LYS HE3 H 1 2.900 0.020 . 1 . . . . . 665 LYS HE3 . 52237 1 672 . 1 . 1 77 77 LYS C C 13 177.582 0.200 . 1 . . . . . 665 LYS C . 52237 1 673 . 1 . 1 77 77 LYS CA C 13 57.836 0.200 . 1 . . . . . 665 LYS CA . 52237 1 674 . 1 . 1 77 77 LYS CB C 13 31.585 0.200 . 1 . . . . . 665 LYS CB . 52237 1 675 . 1 . 1 77 77 LYS CG C 13 24.300 0.200 . 1 . . . . . 665 LYS CG . 52237 1 676 . 1 . 1 77 77 LYS CD C 13 28.201 0.200 . 1 . . . . . 665 LYS CD . 52237 1 677 . 1 . 1 77 77 LYS CE C 13 41.900 0.200 . 1 . . . . . 665 LYS CE . 52237 1 678 . 1 . 1 77 77 LYS N N 15 120.353 0.200 . 1 . . . . . 665 LYS N . 52237 1 679 . 1 . 1 78 78 ALA H H 1 7.691 0.020 . 1 . . . . . 666 ALA H . 52237 1 680 . 1 . 1 78 78 ALA HA H 1 3.707 0.020 . 1 . . . . . 666 ALA HA . 52237 1 681 . 1 . 1 78 78 ALA HB1 H 1 1.434 0.020 . 1 . . . . . 666 ALA HB . 52237 1 682 . 1 . 1 78 78 ALA HB2 H 1 1.434 0.020 . 1 . . . . . 666 ALA HB . 52237 1 683 . 1 . 1 78 78 ALA HB3 H 1 1.434 0.020 . 1 . . . . . 666 ALA HB . 52237 1 684 . 1 . 1 78 78 ALA C C 13 179.281 0.200 . 1 . . . . . 666 ALA C . 52237 1 685 . 1 . 1 78 78 ALA CA C 13 55.776 0.200 . 1 . . . . . 666 ALA CA . 52237 1 686 . 1 . 1 78 78 ALA CB C 13 18.305 0.200 . 1 . . . . . 666 ALA CB . 52237 1 687 . 1 . 1 78 78 ALA N N 15 121.492 0.200 . 1 . . . . . 666 ALA N . 52237 1 688 . 1 . 1 79 79 VAL H H 1 7.856 0.020 . 1 . . . . . 667 VAL H . 52237 1 689 . 1 . 1 79 79 VAL HA H 1 3.528 0.020 . 1 . . . . . 667 VAL HA . 52237 1 690 . 1 . 1 79 79 VAL HB H 1 2.041 0.020 . 1 . . . . . 667 VAL HB . 52237 1 691 . 1 . 1 79 79 VAL HG11 H 1 0.680 0.020 . 1 . . . . . 667 VAL HG1 . 52237 1 692 . 1 . 1 79 79 VAL HG12 H 1 0.680 0.020 . 1 . . . . . 667 VAL HG1 . 52237 1 693 . 1 . 1 79 79 VAL HG13 H 1 0.680 0.020 . 1 . . . . . 667 VAL HG1 . 52237 1 694 . 1 . 1 79 79 VAL HG21 H 1 0.861 0.020 . 1 . . . . . 667 VAL HG2 . 52237 1 695 . 1 . 1 79 79 VAL HG22 H 1 0.861 0.020 . 1 . . . . . 667 VAL HG2 . 52237 1 696 . 1 . 1 79 79 VAL HG23 H 1 0.861 0.020 . 1 . . . . . 667 VAL HG2 . 52237 1 697 . 1 . 1 79 79 VAL C C 13 180.140 0.200 . 1 . . . . . 667 VAL C . 52237 1 698 . 1 . 1 79 79 VAL CA C 13 66.367 0.200 . 1 . . . . . 667 VAL CA . 52237 1 699 . 1 . 1 79 79 VAL CB C 13 32.060 0.200 . 1 . . . . . 667 VAL CB . 52237 1 700 . 1 . 1 79 79 VAL CG1 C 13 22.684 0.200 . 1 . . . . . 667 VAL CG1 . 52237 1 701 . 1 . 1 79 79 VAL CG2 C 13 21.310 0.200 . 1 . . . . . 667 VAL CG2 . 52237 1 702 . 1 . 1 79 79 VAL N N 15 117.763 0.200 . 1 . . . . . 667 VAL N . 52237 1 703 . 1 . 1 80 80 GLU H H 1 7.981 0.020 . 1 . . . . . 668 GLU H . 52237 1 704 . 1 . 1 80 80 GLU HA H 1 4.014 0.020 . 1 . . . . . 668 GLU HA . 52237 1 705 . 1 . 1 80 80 GLU HB2 H 1 2.136 0.020 . 1 . . . . . 668 GLU HB2 . 52237 1 706 . 1 . 1 80 80 GLU HB3 H 1 2.136 0.020 . 1 . . . . . 668 GLU HB3 . 52237 1 707 . 1 . 1 80 80 GLU HG2 H 1 2.370 0.020 . 1 . . . . . 668 GLU HG2 . 52237 1 708 . 1 . 1 80 80 GLU HG3 H 1 2.127 0.020 . 1 . . . . . 668 GLU HG3 . 52237 1 709 . 1 . 1 80 80 GLU C C 13 177.222 0.200 . 1 . . . . . 668 GLU C . 52237 1 710 . 1 . 1 80 80 GLU CA C 13 59.479 0.200 . 1 . . . . . 668 GLU CA . 52237 1 711 . 1 . 1 80 80 GLU CB C 13 30.067 0.200 . 1 . . . . . 668 GLU CB . 52237 1 712 . 1 . 1 80 80 GLU CG C 13 36.111 0.200 . 1 . . . . . 668 GLU CG . 52237 1 713 . 1 . 1 80 80 GLU N N 15 121.295 0.200 . 1 . . . . . 668 GLU N . 52237 1 714 . 1 . 1 81 81 LEU H H 1 7.998 0.020 . 1 . . . . . 669 LEU H . 52237 1 715 . 1 . 1 81 81 LEU HA H 1 4.244 0.020 . 1 . . . . . 669 LEU HA . 52237 1 716 . 1 . 1 81 81 LEU HB2 H 1 1.653 0.020 . 1 . . . . . 669 LEU HB2 . 52237 1 717 . 1 . 1 81 81 LEU HB3 H 1 1.447 0.020 . 1 . . . . . 669 LEU HB3 . 52237 1 718 . 1 . 1 81 81 LEU HG H 1 1.780 0.020 . 1 . . . . . 669 LEU HG . 52237 1 719 . 1 . 1 81 81 LEU HD11 H 1 0.617 0.020 . 1 . . . . . 669 LEU HD1 . 52237 1 720 . 1 . 1 81 81 LEU HD12 H 1 0.617 0.020 . 1 . . . . . 669 LEU HD1 . 52237 1 721 . 1 . 1 81 81 LEU HD13 H 1 0.617 0.020 . 1 . . . . . 669 LEU HD1 . 52237 1 722 . 1 . 1 81 81 LEU HD21 H 1 0.803 0.020 . 1 . . . . . 669 LEU HD2 . 52237 1 723 . 1 . 1 81 81 LEU HD22 H 1 0.803 0.020 . 1 . . . . . 669 LEU HD2 . 52237 1 724 . 1 . 1 81 81 LEU HD23 H 1 0.803 0.020 . 1 . . . . . 669 LEU HD2 . 52237 1 725 . 1 . 1 81 81 LEU C C 13 177.051 0.200 . 1 . . . . . 669 LEU C . 52237 1 726 . 1 . 1 81 81 LEU CA C 13 55.270 0.200 . 1 . . . . . 669 LEU CA . 52237 1 727 . 1 . 1 81 81 LEU CB C 13 43.640 0.200 . 1 . . . . . 669 LEU CB . 52237 1 728 . 1 . 1 81 81 LEU CG C 13 27.033 0.200 . 1 . . . . . 669 LEU CG . 52237 1 729 . 1 . 1 81 81 LEU CD1 C 13 25.900 0.200 . 1 . . . . . 669 LEU CD1 . 52237 1 730 . 1 . 1 81 81 LEU CD2 C 13 22.576 0.200 . 1 . . . . . 669 LEU CD2 . 52237 1 731 . 1 . 1 81 81 LEU N N 15 115.637 0.200 . 1 . . . . . 669 LEU N . 52237 1 732 . 1 . 1 82 82 GLY H H 1 7.844 0.020 . 1 . . . . . 670 GLY H . 52237 1 733 . 1 . 1 82 82 GLY HA2 H 1 3.970 0.020 . 1 . . . . . 670 GLY HA2 . 52237 1 734 . 1 . 1 82 82 GLY HA3 H 1 3.812 0.020 . 1 . . . . . 670 GLY HA3 . 52237 1 735 . 1 . 1 82 82 GLY C C 13 174.893 0.200 . 1 . . . . . 670 GLY C . 52237 1 736 . 1 . 1 82 82 GLY CA C 13 46.447 0.200 . 1 . . . . . 670 GLY CA . 52237 1 737 . 1 . 1 82 82 GLY N N 15 109.835 0.200 . 1 . . . . . 670 GLY N . 52237 1 738 . 1 . 1 83 83 VAL H H 1 8.093 0.020 . 1 . . . . . 671 VAL H . 52237 1 739 . 1 . 1 83 83 VAL HA H 1 4.054 0.020 . 1 . . . . . 671 VAL HA . 52237 1 740 . 1 . 1 83 83 VAL HB H 1 1.650 0.020 . 1 . . . . . 671 VAL HB . 52237 1 741 . 1 . 1 83 83 VAL HG11 H 1 0.826 0.020 . 1 . . . . . 671 VAL HG1 . 52237 1 742 . 1 . 1 83 83 VAL HG12 H 1 0.826 0.020 . 1 . . . . . 671 VAL HG1 . 52237 1 743 . 1 . 1 83 83 VAL HG13 H 1 0.826 0.020 . 1 . . . . . 671 VAL HG1 . 52237 1 744 . 1 . 1 83 83 VAL HG21 H 1 0.737 0.020 . 1 . . . . . 671 VAL HG2 . 52237 1 745 . 1 . 1 83 83 VAL HG22 H 1 0.737 0.020 . 1 . . . . . 671 VAL HG2 . 52237 1 746 . 1 . 1 83 83 VAL HG23 H 1 0.737 0.020 . 1 . . . . . 671 VAL HG2 . 52237 1 747 . 1 . 1 83 83 VAL CA C 13 60.170 0.200 . 1 . . . . . 671 VAL CA . 52237 1 748 . 1 . 1 83 83 VAL CB C 13 33.792 0.200 . 1 . . . . . 671 VAL CB . 52237 1 749 . 1 . 1 83 83 VAL CG1 C 13 22.013 0.200 . 1 . . . . . 671 VAL CG1 . 52237 1 750 . 1 . 1 83 83 VAL CG2 C 13 21.107 0.200 . 1 . . . . . 671 VAL CG2 . 52237 1 751 . 1 . 1 83 83 VAL N N 15 124.550 0.200 . 1 . . . . . 671 VAL N . 52237 1 752 . 1 . 1 84 84 PRO HA H 1 4.236 0.020 . 1 . . . . . 672 PRO HA . 52237 1 753 . 1 . 1 84 84 PRO HB2 H 1 2.060 0.020 . 1 . . . . . 672 PRO HB2 . 52237 1 754 . 1 . 1 84 84 PRO HB3 H 1 2.232 0.020 . 1 . . . . . 672 PRO HB3 . 52237 1 755 . 1 . 1 84 84 PRO HG2 H 1 2.049 0.020 . 1 . . . . . 672 PRO HG2 . 52237 1 756 . 1 . 1 84 84 PRO HG3 H 1 2.049 0.020 . 1 . . . . . 672 PRO HG3 . 52237 1 757 . 1 . 1 84 84 PRO HD2 H 1 3.819 0.020 . 1 . . . . . 672 PRO HD2 . 52237 1 758 . 1 . 1 84 84 PRO HD3 H 1 3.457 0.020 . 1 . . . . . 672 PRO HD3 . 52237 1 759 . 1 . 1 84 84 PRO C C 13 174.966 0.200 . 1 . . . . . 672 PRO C . 52237 1 760 . 1 . 1 84 84 PRO CA C 13 63.748 0.200 . 1 . . . . . 672 PRO CA . 52237 1 761 . 1 . 1 84 84 PRO CB C 13 32.631 0.200 . 1 . . . . . 672 PRO CB . 52237 1 762 . 1 . 1 84 84 PRO CG C 13 27.886 0.200 . 1 . . . . . 672 PRO CG . 52237 1 763 . 1 . 1 84 84 PRO CD C 13 49.840 0.200 . 1 . . . . . 672 PRO CD . 52237 1 764 . 1 . 1 85 85 ILE H H 1 8.055 0.020 . 1 . . . . . 673 ILE H . 52237 1 765 . 1 . 1 85 85 ILE HA H 1 5.035 0.020 . 1 . . . . . 673 ILE HA . 52237 1 766 . 1 . 1 85 85 ILE HB H 1 1.638 0.020 . 1 . . . . . 673 ILE HB . 52237 1 767 . 1 . 1 85 85 ILE HG12 H 1 1.765 0.020 . 1 . . . . . 673 ILE HG12 . 52237 1 768 . 1 . 1 85 85 ILE HG13 H 1 0.655 0.020 . 1 . . . . . 673 ILE HG13 . 52237 1 769 . 1 . 1 85 85 ILE HG21 H 1 0.909 0.020 . 1 . . . . . 673 ILE HG2 . 52237 1 770 . 1 . 1 85 85 ILE HG22 H 1 0.909 0.020 . 1 . . . . . 673 ILE HG2 . 52237 1 771 . 1 . 1 85 85 ILE HG23 H 1 0.909 0.020 . 1 . . . . . 673 ILE HG2 . 52237 1 772 . 1 . 1 85 85 ILE HD11 H 1 0.429 0.020 . 1 . . . . . 673 ILE HD1 . 52237 1 773 . 1 . 1 85 85 ILE HD12 H 1 0.429 0.020 . 1 . . . . . 673 ILE HD1 . 52237 1 774 . 1 . 1 85 85 ILE HD13 H 1 0.429 0.020 . 1 . . . . . 673 ILE HD1 . 52237 1 775 . 1 . 1 85 85 ILE C C 13 176.970 0.200 . 1 . . . . . 673 ILE C . 52237 1 776 . 1 . 1 85 85 ILE CA C 13 59.535 0.200 . 1 . . . . . 673 ILE CA . 52237 1 777 . 1 . 1 85 85 ILE CB C 13 40.580 0.200 . 1 . . . . . 673 ILE CB . 52237 1 778 . 1 . 1 85 85 ILE CG1 C 13 27.905 0.200 . 1 . . . . . 673 ILE CG1 . 52237 1 779 . 1 . 1 85 85 ILE CG2 C 13 19.264 0.200 . 1 . . . . . 673 ILE CG2 . 52237 1 780 . 1 . 1 85 85 ILE CD1 C 13 14.142 0.200 . 1 . . . . . 673 ILE CD1 . 52237 1 781 . 1 . 1 85 85 ILE N N 15 122.315 0.200 . 1 . . . . . 673 ILE N . 52237 1 782 . 1 . 1 86 86 LEU H H 1 9.557 0.020 . 1 . . . . . 674 LEU H . 52237 1 783 . 1 . 1 86 86 LEU HA H 1 4.979 0.020 . 1 . . . . . 674 LEU HA . 52237 1 784 . 1 . 1 86 86 LEU HB2 H 1 1.639 0.020 . 1 . . . . . 674 LEU HB2 . 52237 1 785 . 1 . 1 86 86 LEU HB3 H 1 1.639 0.020 . 1 . . . . . 674 LEU HB3 . 52237 1 786 . 1 . 1 86 86 LEU HG H 1 0.461 0.020 . 1 . . . . . 674 LEU HG . 52237 1 787 . 1 . 1 86 86 LEU HD11 H 1 0.835 0.020 . 1 . . . . . 674 LEU HD1 . 52237 1 788 . 1 . 1 86 86 LEU HD12 H 1 0.835 0.020 . 1 . . . . . 674 LEU HD1 . 52237 1 789 . 1 . 1 86 86 LEU HD13 H 1 0.835 0.020 . 1 . . . . . 674 LEU HD1 . 52237 1 790 . 1 . 1 86 86 LEU HD21 H 1 0.835 0.020 . 1 . . . . . 674 LEU HD2 . 52237 1 791 . 1 . 1 86 86 LEU HD22 H 1 0.835 0.020 . 1 . . . . . 674 LEU HD2 . 52237 1 792 . 1 . 1 86 86 LEU HD23 H 1 0.835 0.020 . 1 . . . . . 674 LEU HD2 . 52237 1 793 . 1 . 1 86 86 LEU C C 13 176.188 0.200 . 1 . . . . . 674 LEU C . 52237 1 794 . 1 . 1 86 86 LEU CA C 13 52.920 0.200 . 1 . . . . . 674 LEU CA . 52237 1 795 . 1 . 1 86 86 LEU CB C 13 45.845 0.200 . 1 . . . . . 674 LEU CB . 52237 1 796 . 1 . 1 86 86 LEU CG C 13 26.573 0.200 . 1 . . . . . 674 LEU CG . 52237 1 797 . 1 . 1 86 86 LEU CD1 C 13 22.964 0.200 . 1 . . . . . 674 LEU CD1 . 52237 1 798 . 1 . 1 86 86 LEU CD2 C 13 22.964 0.200 . 1 . . . . . 674 LEU CD2 . 52237 1 799 . 1 . 1 86 86 LEU N N 15 128.367 0.200 . 1 . . . . . 674 LEU N . 52237 1 800 . 1 . 1 87 87 ASP H H 1 7.936 0.020 . 1 . . . . . 675 ASP H . 52237 1 801 . 1 . 1 87 87 ASP HA H 1 4.993 0.020 . 1 . . . . . 675 ASP HA . 52237 1 802 . 1 . 1 87 87 ASP HB2 H 1 3.390 0.020 . 1 . . . . . 675 ASP HB2 . 52237 1 803 . 1 . 1 87 87 ASP HB3 H 1 2.882 0.020 . 1 . . . . . 675 ASP HB3 . 52237 1 804 . 1 . 1 87 87 ASP C C 13 176.379 0.200 . 1 . . . . . 675 ASP C . 52237 1 805 . 1 . 1 87 87 ASP CA C 13 51.459 0.200 . 1 . . . . . 675 ASP CA . 52237 1 806 . 1 . 1 87 87 ASP CB C 13 41.479 0.200 . 1 . . . . . 675 ASP CB . 52237 1 807 . 1 . 1 87 87 ASP N N 15 119.169 0.200 . 1 . . . . . 675 ASP N . 52237 1 808 . 1 . 1 88 88 GLU H H 1 8.920 0.020 . 1 . . . . . 676 GLU H . 52237 1 809 . 1 . 1 88 88 GLU HA H 1 3.794 0.020 . 1 . . . . . 676 GLU HA . 52237 1 810 . 1 . 1 88 88 GLU HB2 H 1 2.283 0.020 . 1 . . . . . 676 GLU HB2 . 52237 1 811 . 1 . 1 88 88 GLU HB3 H 1 2.154 0.020 . 1 . . . . . 676 GLU HB3 . 52237 1 812 . 1 . 1 88 88 GLU HG2 H 1 2.392 0.020 . 1 . . . . . 676 GLU HG2 . 52237 1 813 . 1 . 1 88 88 GLU HG3 H 1 2.666 0.020 . 1 . . . . . 676 GLU HG3 . 52237 1 814 . 1 . 1 88 88 GLU C C 13 178.229 0.200 . 1 . . . . . 676 GLU C . 52237 1 815 . 1 . 1 88 88 GLU CA C 13 61.712 0.200 . 1 . . . . . 676 GLU CA . 52237 1 816 . 1 . 1 88 88 GLU CB C 13 29.434 0.200 . 1 . . . . . 676 GLU CB . 52237 1 817 . 1 . 1 88 88 GLU CG C 13 37.396 0.200 . 1 . . . . . 676 GLU CG . 52237 1 818 . 1 . 1 88 88 GLU N N 15 120.357 0.200 . 1 . . . . . 676 GLU N . 52237 1 819 . 1 . 1 89 89 ASP H H 1 8.284 0.020 . 1 . . . . . 677 ASP H . 52237 1 820 . 1 . 1 89 89 ASP HA H 1 4.459 0.020 . 1 . . . . . 677 ASP HA . 52237 1 821 . 1 . 1 89 89 ASP HB2 H 1 2.805 0.020 . 1 . . . . . 677 ASP HB2 . 52237 1 822 . 1 . 1 89 89 ASP HB3 H 1 2.788 0.020 . 1 . . . . . 677 ASP HB3 . 52237 1 823 . 1 . 1 89 89 ASP C C 13 179.108 0.200 . 1 . . . . . 677 ASP C . 52237 1 824 . 1 . 1 89 89 ASP CA C 13 58.108 0.200 . 1 . . . . . 677 ASP CA . 52237 1 825 . 1 . 1 89 89 ASP CB C 13 41.098 0.200 . 1 . . . . . 677 ASP CB . 52237 1 826 . 1 . 1 89 89 ASP N N 15 118.834 0.200 . 1 . . . . . 677 ASP N . 52237 1 827 . 1 . 1 90 90 GLY H H 1 8.805 0.020 . 1 . . . . . 678 GLY H . 52237 1 828 . 1 . 1 90 90 GLY HA2 H 1 3.849 0.020 . 1 . . . . . 678 GLY HA2 . 52237 1 829 . 1 . 1 90 90 GLY HA3 H 1 4.023 0.020 . 1 . . . . . 678 GLY HA3 . 52237 1 830 . 1 . 1 90 90 GLY C C 13 176.933 0.200 . 1 . . . . . 678 GLY C . 52237 1 831 . 1 . 1 90 90 GLY CA C 13 47.425 0.200 . 1 . . . . . 678 GLY CA . 52237 1 832 . 1 . 1 90 90 GLY N N 15 109.882 0.200 . 1 . . . . . 678 GLY N . 52237 1 833 . 1 . 1 91 91 PHE H H 1 9.073 0.020 . 1 . . . . . 679 PHE H . 52237 1 834 . 1 . 1 91 91 PHE HA H 1 4.378 0.020 . 1 . . . . . 679 PHE HA . 52237 1 835 . 1 . 1 91 91 PHE HB2 H 1 3.421 0.020 . 1 . . . . . 679 PHE HB2 . 52237 1 836 . 1 . 1 91 91 PHE HB3 H 1 3.033 0.020 . 1 . . . . . 679 PHE HB3 . 52237 1 837 . 1 . 1 91 91 PHE C C 13 176.029 0.200 . 1 . . . . . 679 PHE C . 52237 1 838 . 1 . 1 91 91 PHE CA C 13 58.782 0.200 . 1 . . . . . 679 PHE CA . 52237 1 839 . 1 . 1 91 91 PHE CB C 13 39.570 0.200 . 1 . . . . . 679 PHE CB . 52237 1 840 . 1 . 1 91 91 PHE N N 15 124.831 0.200 . 1 . . . . . 679 PHE N . 52237 1 841 . 1 . 1 92 92 ARG H H 1 8.557 0.020 . 1 . . . . . 680 ARG H . 52237 1 842 . 1 . 1 92 92 ARG HA H 1 3.637 0.020 . 1 . . . . . 680 ARG HA . 52237 1 843 . 1 . 1 92 92 ARG HB2 H 1 2.146 0.020 . 1 . . . . . 680 ARG HB2 . 52237 1 844 . 1 . 1 92 92 ARG HB3 H 1 1.865 0.020 . 1 . . . . . 680 ARG HB3 . 52237 1 845 . 1 . 1 92 92 ARG HG2 H 1 2.150 0.020 . 1 . . . . . 680 ARG HG2 . 52237 1 846 . 1 . 1 92 92 ARG HG3 H 1 2.150 0.020 . 1 . . . . . 680 ARG HG3 . 52237 1 847 . 1 . 1 92 92 ARG HD2 H 1 3.300 0.020 . 1 . . . . . 680 ARG HD2 . 52237 1 848 . 1 . 1 92 92 ARG HD3 H 1 3.380 0.020 . 1 . . . . . 680 ARG HD3 . 52237 1 849 . 1 . 1 92 92 ARG C C 13 179.899 0.200 . 1 . . . . . 680 ARG C . 52237 1 850 . 1 . 1 92 92 ARG CA C 13 60.961 0.200 . 1 . . . . . 680 ARG CA . 52237 1 851 . 1 . 1 92 92 ARG CB C 13 30.350 0.200 . 1 . . . . . 680 ARG CB . 52237 1 852 . 1 . 1 92 92 ARG CG C 13 29.370 0.200 . 1 . . . . . 680 ARG CG . 52237 1 853 . 1 . 1 92 92 ARG CD C 13 43.395 0.200 . 1 . . . . . 680 ARG CD . 52237 1 854 . 1 . 1 92 92 ARG N N 15 118.636 0.200 . 1 . . . . . 680 ARG N . 52237 1 855 . 1 . 1 93 93 ARG H H 1 7.904 0.020 . 1 . . . . . 681 ARG H . 52237 1 856 . 1 . 1 93 93 ARG HA H 1 4.025 0.020 . 1 . . . . . 681 ARG HA . 52237 1 857 . 1 . 1 93 93 ARG HB2 H 1 1.912 0.020 . 1 . . . . . 681 ARG HB2 . 52237 1 858 . 1 . 1 93 93 ARG HB3 H 1 1.912 0.020 . 1 . . . . . 681 ARG HB3 . 52237 1 859 . 1 . 1 93 93 ARG HG2 H 1 1.656 0.020 . 1 . . . . . 681 ARG HG2 . 52237 1 860 . 1 . 1 93 93 ARG HG3 H 1 1.660 0.020 . 1 . . . . . 681 ARG HG3 . 52237 1 861 . 1 . 1 93 93 ARG HD2 H 1 3.280 0.020 . 1 . . . . . 681 ARG HD2 . 52237 1 862 . 1 . 1 93 93 ARG HD3 H 1 3.260 0.020 . 1 . . . . . 681 ARG HD3 . 52237 1 863 . 1 . 1 93 93 ARG C C 13 177.381 0.200 . 1 . . . . . 681 ARG C . 52237 1 864 . 1 . 1 93 93 ARG CA C 13 59.645 0.200 . 1 . . . . . 681 ARG CA . 52237 1 865 . 1 . 1 93 93 ARG CB C 13 30.134 0.200 . 1 . . . . . 681 ARG CB . 52237 1 866 . 1 . 1 93 93 ARG CG C 13 27.672 0.200 . 1 . . . . . 681 ARG CG . 52237 1 867 . 1 . 1 93 93 ARG CD C 13 43.501 0.200 . 1 . . . . . 681 ARG CD . 52237 1 868 . 1 . 1 93 93 ARG N N 15 119.052 0.200 . 1 . . . . . 681 ARG N . 52237 1 869 . 1 . 1 94 94 LEU H H 1 7.878 0.020 . 1 . . . . . 682 LEU H . 52237 1 870 . 1 . 1 94 94 LEU HA H 1 3.734 0.020 . 1 . . . . . 682 LEU HA . 52237 1 871 . 1 . 1 94 94 LEU HB2 H 1 1.288 0.020 . 1 . . . . . 682 LEU HB2 . 52237 1 872 . 1 . 1 94 94 LEU HB3 H 1 1.853 0.020 . 1 . . . . . 682 LEU HB3 . 52237 1 873 . 1 . 1 94 94 LEU HG H 1 0.304 0.020 . 1 . . . . . 682 LEU HG . 52237 1 874 . 1 . 1 94 94 LEU HD11 H 1 1.250 0.020 . 1 . . . . . 682 LEU HD1 . 52237 1 875 . 1 . 1 94 94 LEU HD12 H 1 1.250 0.020 . 1 . . . . . 682 LEU HD1 . 52237 1 876 . 1 . 1 94 94 LEU HD13 H 1 1.250 0.020 . 1 . . . . . 682 LEU HD1 . 52237 1 877 . 1 . 1 94 94 LEU HD21 H 1 0.283 0.020 . 1 . . . . . 682 LEU HD2 . 52237 1 878 . 1 . 1 94 94 LEU HD22 H 1 0.283 0.020 . 1 . . . . . 682 LEU HD2 . 52237 1 879 . 1 . 1 94 94 LEU HD23 H 1 0.283 0.020 . 1 . . . . . 682 LEU HD2 . 52237 1 880 . 1 . 1 94 94 LEU C C 13 179.083 0.200 . 1 . . . . . 682 LEU C . 52237 1 881 . 1 . 1 94 94 LEU CA C 13 58.043 0.200 . 1 . . . . . 682 LEU CA . 52237 1 882 . 1 . 1 94 94 LEU CB C 13 42.075 0.200 . 1 . . . . . 682 LEU CB . 52237 1 883 . 1 . 1 94 94 LEU CG C 13 26.485 0.200 . 1 . . . . . 682 LEU CG . 52237 1 884 . 1 . 1 94 94 LEU CD1 C 13 26.106 0.200 . 1 . . . . . 682 LEU CD1 . 52237 1 885 . 1 . 1 94 94 LEU CD2 C 13 22.758 0.200 . 1 . . . . . 682 LEU CD2 . 52237 1 886 . 1 . 1 94 94 LEU N N 15 122.243 0.200 . 1 . . . . . 682 LEU N . 52237 1 887 . 1 . 1 95 95 LEU H H 1 8.064 0.020 . 1 . . . . . 683 LEU H . 52237 1 888 . 1 . 1 95 95 LEU HA H 1 3.512 0.020 . 1 . . . . . 683 LEU HA . 52237 1 889 . 1 . 1 95 95 LEU HB2 H 1 0.989 0.020 . 1 . . . . . 683 LEU HB2 . 52237 1 890 . 1 . 1 95 95 LEU HB3 H 1 1.668 0.020 . 1 . . . . . 683 LEU HB3 . 52237 1 891 . 1 . 1 95 95 LEU HG H 1 0.056 0.020 . 1 . . . . . 683 LEU HG . 52237 1 892 . 1 . 1 95 95 LEU HD11 H 1 1.010 0.020 . 1 . . . . . 683 LEU HD1 . 52237 1 893 . 1 . 1 95 95 LEU HD12 H 1 1.010 0.020 . 1 . . . . . 683 LEU HD1 . 52237 1 894 . 1 . 1 95 95 LEU HD13 H 1 1.010 0.020 . 1 . . . . . 683 LEU HD1 . 52237 1 895 . 1 . 1 95 95 LEU HD21 H 1 0.330 0.020 . 1 . . . . . 683 LEU HD2 . 52237 1 896 . 1 . 1 95 95 LEU HD22 H 1 0.330 0.020 . 1 . . . . . 683 LEU HD2 . 52237 1 897 . 1 . 1 95 95 LEU HD23 H 1 0.330 0.020 . 1 . . . . . 683 LEU HD2 . 52237 1 898 . 1 . 1 95 95 LEU C C 13 178.663 0.200 . 1 . . . . . 683 LEU C . 52237 1 899 . 1 . 1 95 95 LEU CA C 13 57.878 0.200 . 1 . . . . . 683 LEU CA . 52237 1 900 . 1 . 1 95 95 LEU CB C 13 42.238 0.200 . 1 . . . . . 683 LEU CB . 52237 1 901 . 1 . 1 95 95 LEU CG C 13 25.510 0.200 . 1 . . . . . 683 LEU CG . 52237 1 902 . 1 . 1 95 95 LEU CD1 C 13 26.280 0.200 . 1 . . . . . 683 LEU CD1 . 52237 1 903 . 1 . 1 95 95 LEU CD2 C 13 23.300 0.200 . 1 . . . . . 683 LEU CD2 . 52237 1 904 . 1 . 1 95 95 LEU N N 15 115.498 0.200 . 1 . . . . . 683 LEU N . 52237 1 905 . 1 . 1 96 96 ALA H H 1 7.271 0.020 . 1 . . . . . 684 ALA H . 52237 1 906 . 1 . 1 96 96 ALA HA H 1 4.163 0.020 . 1 . . . . . 684 ALA HA . 52237 1 907 . 1 . 1 96 96 ALA HB1 H 1 1.401 0.020 . 1 . . . . . 684 ALA HB . 52237 1 908 . 1 . 1 96 96 ALA HB2 H 1 1.401 0.020 . 1 . . . . . 684 ALA HB . 52237 1 909 . 1 . 1 96 96 ALA HB3 H 1 1.401 0.020 . 1 . . . . . 684 ALA HB . 52237 1 910 . 1 . 1 96 96 ALA C C 13 179.013 0.200 . 1 . . . . . 684 ALA C . 52237 1 911 . 1 . 1 96 96 ALA CA C 13 54.778 0.200 . 1 . . . . . 684 ALA CA . 52237 1 912 . 1 . 1 96 96 ALA CB C 13 19.615 0.200 . 1 . . . . . 684 ALA CB . 52237 1 913 . 1 . 1 96 96 ALA N N 15 118.659 0.200 . 1 . . . . . 684 ALA N . 52237 1 914 . 1 . 1 97 97 ASP H H 1 8.519 0.020 . 1 . . . . . 685 ASP H . 52237 1 915 . 1 . 1 97 97 ASP HA H 1 4.827 0.020 . 1 . . . . . 685 ASP HA . 52237 1 916 . 1 . 1 97 97 ASP HB2 H 1 2.694 0.020 . 1 . . . . . 685 ASP HB2 . 52237 1 917 . 1 . 1 97 97 ASP HB3 H 1 2.694 0.020 . 1 . . . . . 685 ASP HB3 . 52237 1 918 . 1 . 1 97 97 ASP C C 13 178.171 0.200 . 1 . . . . . 685 ASP C . 52237 1 919 . 1 . 1 97 97 ASP CA C 13 55.142 0.200 . 1 . . . . . 685 ASP CA . 52237 1 920 . 1 . 1 97 97 ASP CB C 13 43.264 0.200 . 1 . . . . . 685 ASP CB . 52237 1 921 . 1 . 1 97 97 ASP N N 15 114.829 0.200 . 1 . . . . . 685 ASP N . 52237 1 922 . 1 . 1 98 98 GLY H H 1 8.386 0.020 . 1 . . . . . 686 GLY H . 52237 1 923 . 1 . 1 98 98 GLY HA2 H 1 4.395 0.020 . 1 . . . . . 686 GLY HA2 . 52237 1 924 . 1 . 1 98 98 GLY HA3 H 1 3.779 0.020 . 1 . . . . . 686 GLY HA3 . 52237 1 925 . 1 . 1 98 98 GLY CA C 13 45.345 0.200 . 1 . . . . . 686 GLY CA . 52237 1 926 . 1 . 1 98 98 GLY N N 15 110.091 0.200 . 1 . . . . . 686 GLY N . 52237 1 927 . 1 . 1 99 99 PRO HA H 1 4.242 0.020 . 1 . . . . . 687 PRO HA . 52237 1 928 . 1 . 1 99 99 PRO HB2 H 1 2.332 0.020 . 1 . . . . . 687 PRO HB2 . 52237 1 929 . 1 . 1 99 99 PRO HB3 H 1 2.332 0.020 . 1 . . . . . 687 PRO HB3 . 52237 1 930 . 1 . 1 99 99 PRO HG2 H 1 2.067 0.020 . 1 . . . . . 687 PRO HG2 . 52237 1 931 . 1 . 1 99 99 PRO HG3 H 1 2.067 0.020 . 1 . . . . . 687 PRO HG3 . 52237 1 932 . 1 . 1 99 99 PRO HD2 H 1 3.820 0.020 . 1 . . . . . 687 PRO HD2 . 52237 1 933 . 1 . 1 99 99 PRO HD3 H 1 3.470 0.020 . 1 . . . . . 687 PRO HD3 . 52237 1 934 . 1 . 1 99 99 PRO C C 13 176.883 0.200 . 1 . . . . . 687 PRO C . 52237 1 935 . 1 . 1 99 99 PRO CA C 13 63.570 0.200 . 1 . . . . . 687 PRO CA . 52237 1 936 . 1 . 1 99 99 PRO CB C 13 32.480 0.200 . 1 . . . . . 687 PRO CB . 52237 1 937 . 1 . 1 99 99 PRO CG C 13 27.910 0.200 . 1 . . . . . 687 PRO CG . 52237 1 938 . 1 . 1 99 99 PRO CD C 13 49.707 0.200 . 1 . . . . . 687 PRO CD . 52237 1 939 . 1 . 1 100 100 ALA H H 1 8.521 0.020 . 1 . . . . . 688 ALA H . 52237 1 940 . 1 . 1 100 100 ALA HA H 1 4.311 0.020 . 1 . . . . . 688 ALA HA . 52237 1 941 . 1 . 1 100 100 ALA HB1 H 1 1.444 0.020 . 1 . . . . . 688 ALA HB . 52237 1 942 . 1 . 1 100 100 ALA HB2 H 1 1.444 0.020 . 1 . . . . . 688 ALA HB . 52237 1 943 . 1 . 1 100 100 ALA HB3 H 1 1.444 0.020 . 1 . . . . . 688 ALA HB . 52237 1 944 . 1 . 1 100 100 ALA C C 13 178.117 0.200 . 1 . . . . . 688 ALA C . 52237 1 945 . 1 . 1 100 100 ALA CA C 13 53.277 0.200 . 1 . . . . . 688 ALA CA . 52237 1 946 . 1 . 1 100 100 ALA CB C 13 19.114 0.200 . 1 . . . . . 688 ALA CB . 52237 1 947 . 1 . 1 100 100 ALA N N 15 125.139 0.200 . 1 . . . . . 688 ALA N . 52237 1 948 . 1 . 1 101 101 SER H H 1 8.239 0.020 . 1 . . . . . 689 SER H . 52237 1 949 . 1 . 1 101 101 SER HA H 1 4.403 0.020 . 1 . . . . . 689 SER HA . 52237 1 950 . 1 . 1 101 101 SER HB2 H 1 3.904 0.020 . 1 . . . . . 689 SER HB2 . 52237 1 951 . 1 . 1 101 101 SER HB3 H 1 3.870 0.020 . 1 . . . . . 689 SER HB3 . 52237 1 952 . 1 . 1 101 101 SER C C 13 174.778 0.200 . 1 . . . . . 689 SER C . 52237 1 953 . 1 . 1 101 101 SER CA C 13 58.674 0.200 . 1 . . . . . 689 SER CA . 52237 1 954 . 1 . 1 101 101 SER CB C 13 63.904 0.200 . 1 . . . . . 689 SER CB . 52237 1 955 . 1 . 1 101 101 SER N N 15 113.973 0.200 . 1 . . . . . 689 SER N . 52237 1 956 . 1 . 1 102 102 ARG H H 1 8.356 0.020 . 1 . . . . . 690 ARG H . 52237 1 957 . 1 . 1 102 102 ARG HA H 1 4.364 0.020 . 1 . . . . . 690 ARG HA . 52237 1 958 . 1 . 1 102 102 ARG HB2 H 1 1.920 0.020 . 1 . . . . . 690 ARG HB2 . 52237 1 959 . 1 . 1 102 102 ARG HB3 H 1 1.967 0.020 . 1 . . . . . 690 ARG HB3 . 52237 1 960 . 1 . 1 102 102 ARG HG2 H 1 1.644 0.020 . 1 . . . . . 690 ARG HG2 . 52237 1 961 . 1 . 1 102 102 ARG HG3 H 1 1.644 0.020 . 1 . . . . . 690 ARG HG3 . 52237 1 962 . 1 . 1 102 102 ARG HD2 H 1 3.241 0.020 . 1 . . . . . 690 ARG HD2 . 52237 1 963 . 1 . 1 102 102 ARG HD3 H 1 3.209 0.020 . 1 . . . . . 690 ARG HD3 . 52237 1 964 . 1 . 1 102 102 ARG C C 13 176.436 0.200 . 1 . . . . . 690 ARG C . 52237 1 965 . 1 . 1 102 102 ARG CA C 13 56.396 0.200 . 1 . . . . . 690 ARG CA . 52237 1 966 . 1 . 1 102 102 ARG CB C 13 30.752 0.200 . 1 . . . . . 690 ARG CB . 52237 1 967 . 1 . 1 102 102 ARG CG C 13 27.114 0.200 . 1 . . . . . 690 ARG CG . 52237 1 968 . 1 . 1 102 102 ARG CD C 13 43.520 0.200 . 1 . . . . . 690 ARG CD . 52237 1 969 . 1 . 1 102 102 ARG N N 15 122.906 0.200 . 1 . . . . . 690 ARG N . 52237 1 970 . 1 . 1 103 103 THR H H 1 8.149 0.020 . 1 . . . . . 691 THR H . 52237 1 971 . 1 . 1 103 103 THR HA H 1 4.301 0.020 . 1 . . . . . 691 THR HA . 52237 1 972 . 1 . 1 103 103 THR HB H 1 4.193 0.020 . 1 . . . . . 691 THR HB . 52237 1 973 . 1 . 1 103 103 THR HG21 H 1 1.237 0.020 . 1 . . . . . 691 THR HG2 . 52237 1 974 . 1 . 1 103 103 THR HG22 H 1 1.237 0.020 . 1 . . . . . 691 THR HG2 . 52237 1 975 . 1 . 1 103 103 THR HG23 H 1 1.237 0.020 . 1 . . . . . 691 THR HG2 . 52237 1 976 . 1 . 1 103 103 THR C C 13 174.227 0.200 . 1 . . . . . 691 THR C . 52237 1 977 . 1 . 1 103 103 THR CA C 13 62.380 0.200 . 1 . . . . . 691 THR CA . 52237 1 978 . 1 . 1 103 103 THR CB C 13 69.911 0.200 . 1 . . . . . 691 THR CB . 52237 1 979 . 1 . 1 103 103 THR CG2 C 13 21.937 0.200 . 1 . . . . . 691 THR CG2 . 52237 1 980 . 1 . 1 103 103 THR N N 15 115.630 0.200 . 1 . . . . . 691 THR N . 52237 1 stop_ save_