data_5836 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5836 _Entry.Title ; Backbone 1H, 13C, 15N chemical shifts and coupling constants of Yersinia pseudotuberculosis-derived mitogen ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-06-17 _Entry.Accession_date 2003-06-18 _Entry.Last_release_date 2003-06-18 _Entry.Original_release_date 2003-06-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 'Chu Wai' Liew . . . . 5836 2 Roberta Donadini . . . . 5836 3 Barry Fields . A. . . 5836 4 Joel Mackay . P. . . 5836 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5836 coupling_constants 1 5836 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 154 5836 '15N chemical shifts' 91 5836 '1H chemical shifts' 709 5836 'coupling constants' 28 5836 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 . . 2004-09-14 . original BMRB . 5836 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5836 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Backbone 1H, 13C, 15N chemical shifts and coupling constants of Yersinia pseudotuberculosis-derived mitogen ; _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _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 'Chu Wai' Liew . . . . 5836 1 2 Roberta Donadini . . . . 5836 1 3 Barry Fields . A. . . 5836 1 4 Joel Mackay . P. . . 5836 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_YPM _Assembly.Sf_category assembly _Assembly.Sf_framecode system_YPM _Assembly.Entry_ID 5836 _Assembly.ID 1 _Assembly.Name 'Yersinia pseudotuberculosis-derived mitogen' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5836 1 stop_ 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 YPM 1 $YPM . . . native . . . . . 5836 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 20 20 SG . 1 . 1 CYS 117 117 SG . . . . . . . . . . . . 5836 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID YPM abbreviation 5836 1 'Yersinia pseudotuberculosis-derived mitogen' system 5836 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'excessively activates T cells' 5836 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YPM _Entity.Sf_category entity _Entity.Sf_framecode YPM _Entity.Entry_ID 5836 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Yersinia pseudotuberculosis-derived mitogen' _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 ; LRIPNIATYTGTIQGKGEVC IIGNKEGKTRGGELYAVLHS TNVNADMTLILLRNVGGNGW GEIKRNDIDKPLKYEDYYTS GLSWIWKIKNNSSETSNYSL DATVHDDKEDSDVLTKCPV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Protein sequence corresponds to residue 33 of the precursor sequence.' _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . PDB 1PM4 . 'Crystal Structure Of Yersinia Pseudotuberculosis-Derived Mitogen (Ypm)' . . . . . 100.00 119 100.00 100.00 8.55e-63 . . . . 5836 1 . . PDB 1POQ . 'Solution Structure Of A Superantigen From Yersinia Pseudotuberculosis' . . . . . 99.16 118 100.00 100.00 3.02e-62 . . . . 5836 1 . . DBJ BAA07528 . 'YPM [Yersinia pseudotuberculosis]' . . . . . 100.00 151 100.00 100.00 1.80e-63 . . . . 5836 1 . . DBJ BAA07619 . 'Yersinia pseudotuberculosis-derived mitogen precursor' . . . . . 100.00 151 100.00 100.00 1.80e-63 . . . . 5836 1 . . GenBank AAK28542 . 'superantigen YPMa [Yersinia pseudotuberculosis]' . . . . . 100.00 151 100.00 100.00 1.80e-63 . . . . 5836 1 . . GenBank AAL02230 . 'superantigen YPMc [Yersinia pseudotuberculosis]' . . . . . 100.00 151 99.16 100.00 8.55e-63 . . . . 5836 1 . . GenBank ABS46381 . 'superantigen YpmA [Yersinia pseudotuberculosis IP 31758]' . . . . . 100.00 151 100.00 100.00 1.80e-63 . . . . 5836 1 . . REF YP_001400833 . 'superantigen YpmA [Yersinia pseudotuberculosis IP 31758]' . . . . . 100.00 151 100.00 100.00 1.80e-63 . . . . 5836 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID YPM abbreviation 5836 1 'Yersinia pseudotuberculosis-derived mitogen' common 5836 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 13 LEU . 5836 1 2 14 ARG . 5836 1 3 15 ILE . 5836 1 4 16 PRO . 5836 1 5 17 ASN . 5836 1 6 18 ILE . 5836 1 7 19 ALA . 5836 1 8 20 THR . 5836 1 9 21 TYR . 5836 1 10 22 THR . 5836 1 11 23 GLY . 5836 1 12 24 THR . 5836 1 13 25 ILE . 5836 1 14 26 GLN . 5836 1 15 27 GLY . 5836 1 16 28 LYS . 5836 1 17 29 GLY . 5836 1 18 30 GLU . 5836 1 19 31 VAL . 5836 1 20 32 CYS . 5836 1 21 33 ILE . 5836 1 22 34 ILE . 5836 1 23 35 GLY . 5836 1 24 36 ASN . 5836 1 25 37 LYS . 5836 1 26 38 GLU . 5836 1 27 39 GLY . 5836 1 28 40 LYS . 5836 1 29 41 THR . 5836 1 30 42 ARG . 5836 1 31 43 GLY . 5836 1 32 44 GLY . 5836 1 33 45 GLU . 5836 1 34 46 LEU . 5836 1 35 47 TYR . 5836 1 36 48 ALA . 5836 1 37 49 VAL . 5836 1 38 50 LEU . 5836 1 39 51 HIS . 5836 1 40 52 SER . 5836 1 41 53 THR . 5836 1 42 54 ASN . 5836 1 43 55 VAL . 5836 1 44 56 ASN . 5836 1 45 57 ALA . 5836 1 46 58 ASP . 5836 1 47 59 MET . 5836 1 48 60 THR . 5836 1 49 61 LEU . 5836 1 50 62 ILE . 5836 1 51 63 LEU . 5836 1 52 64 LEU . 5836 1 53 65 ARG . 5836 1 54 66 ASN . 5836 1 55 67 VAL . 5836 1 56 68 GLY . 5836 1 57 69 GLY . 5836 1 58 70 ASN . 5836 1 59 71 GLY . 5836 1 60 72 TRP . 5836 1 61 73 GLY . 5836 1 62 74 GLU . 5836 1 63 75 ILE . 5836 1 64 76 LYS . 5836 1 65 77 ARG . 5836 1 66 78 ASN . 5836 1 67 79 ASP . 5836 1 68 80 ILE . 5836 1 69 81 ASP . 5836 1 70 82 LYS . 5836 1 71 83 PRO . 5836 1 72 84 LEU . 5836 1 73 85 LYS . 5836 1 74 86 TYR . 5836 1 75 87 GLU . 5836 1 76 88 ASP . 5836 1 77 89 TYR . 5836 1 78 90 TYR . 5836 1 79 91 THR . 5836 1 80 92 SER . 5836 1 81 93 GLY . 5836 1 82 94 LEU . 5836 1 83 95 SER . 5836 1 84 96 TRP . 5836 1 85 97 ILE . 5836 1 86 98 TRP . 5836 1 87 99 LYS . 5836 1 88 100 ILE . 5836 1 89 101 LYS . 5836 1 90 102 ASN . 5836 1 91 103 ASN . 5836 1 92 104 SER . 5836 1 93 105 SER . 5836 1 94 106 GLU . 5836 1 95 107 THR . 5836 1 96 108 SER . 5836 1 97 109 ASN . 5836 1 98 110 TYR . 5836 1 99 111 SER . 5836 1 100 112 LEU . 5836 1 101 113 ASP . 5836 1 102 114 ALA . 5836 1 103 115 THR . 5836 1 104 116 VAL . 5836 1 105 117 HIS . 5836 1 106 118 ASP . 5836 1 107 119 ASP . 5836 1 108 120 LYS . 5836 1 109 121 GLU . 5836 1 110 122 ASP . 5836 1 111 123 SER . 5836 1 112 124 ASP . 5836 1 113 125 VAL . 5836 1 114 126 LEU . 5836 1 115 127 THR . 5836 1 116 128 LYS . 5836 1 117 129 CYS . 5836 1 118 130 PRO . 5836 1 119 131 VAL . 5836 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 . LEU 1 1 5836 1 . ARG 2 2 5836 1 . ILE 3 3 5836 1 . PRO 4 4 5836 1 . ASN 5 5 5836 1 . ILE 6 6 5836 1 . ALA 7 7 5836 1 . THR 8 8 5836 1 . TYR 9 9 5836 1 . THR 10 10 5836 1 . GLY 11 11 5836 1 . THR 12 12 5836 1 . ILE 13 13 5836 1 . GLN 14 14 5836 1 . GLY 15 15 5836 1 . LYS 16 16 5836 1 . GLY 17 17 5836 1 . GLU 18 18 5836 1 . VAL 19 19 5836 1 . CYS 20 20 5836 1 . ILE 21 21 5836 1 . ILE 22 22 5836 1 . GLY 23 23 5836 1 . ASN 24 24 5836 1 . LYS 25 25 5836 1 . GLU 26 26 5836 1 . GLY 27 27 5836 1 . LYS 28 28 5836 1 . THR 29 29 5836 1 . ARG 30 30 5836 1 . GLY 31 31 5836 1 . GLY 32 32 5836 1 . GLU 33 33 5836 1 . LEU 34 34 5836 1 . TYR 35 35 5836 1 . ALA 36 36 5836 1 . VAL 37 37 5836 1 . LEU 38 38 5836 1 . HIS 39 39 5836 1 . SER 40 40 5836 1 . THR 41 41 5836 1 . ASN 42 42 5836 1 . VAL 43 43 5836 1 . ASN 44 44 5836 1 . ALA 45 45 5836 1 . ASP 46 46 5836 1 . MET 47 47 5836 1 . THR 48 48 5836 1 . LEU 49 49 5836 1 . ILE 50 50 5836 1 . LEU 51 51 5836 1 . LEU 52 52 5836 1 . ARG 53 53 5836 1 . ASN 54 54 5836 1 . VAL 55 55 5836 1 . GLY 56 56 5836 1 . GLY 57 57 5836 1 . ASN 58 58 5836 1 . GLY 59 59 5836 1 . TRP 60 60 5836 1 . GLY 61 61 5836 1 . GLU 62 62 5836 1 . ILE 63 63 5836 1 . LYS 64 64 5836 1 . ARG 65 65 5836 1 . ASN 66 66 5836 1 . ASP 67 67 5836 1 . ILE 68 68 5836 1 . ASP 69 69 5836 1 . LYS 70 70 5836 1 . PRO 71 71 5836 1 . LEU 72 72 5836 1 . LYS 73 73 5836 1 . TYR 74 74 5836 1 . GLU 75 75 5836 1 . ASP 76 76 5836 1 . TYR 77 77 5836 1 . TYR 78 78 5836 1 . THR 79 79 5836 1 . SER 80 80 5836 1 . GLY 81 81 5836 1 . LEU 82 82 5836 1 . SER 83 83 5836 1 . TRP 84 84 5836 1 . ILE 85 85 5836 1 . TRP 86 86 5836 1 . LYS 87 87 5836 1 . ILE 88 88 5836 1 . LYS 89 89 5836 1 . ASN 90 90 5836 1 . ASN 91 91 5836 1 . SER 92 92 5836 1 . SER 93 93 5836 1 . GLU 94 94 5836 1 . THR 95 95 5836 1 . SER 96 96 5836 1 . ASN 97 97 5836 1 . TYR 98 98 5836 1 . SER 99 99 5836 1 . LEU 100 100 5836 1 . ASP 101 101 5836 1 . ALA 102 102 5836 1 . THR 103 103 5836 1 . VAL 104 104 5836 1 . HIS 105 105 5836 1 . ASP 106 106 5836 1 . ASP 107 107 5836 1 . LYS 108 108 5836 1 . GLU 109 109 5836 1 . ASP 110 110 5836 1 . SER 111 111 5836 1 . ASP 112 112 5836 1 . VAL 113 113 5836 1 . LEU 114 114 5836 1 . THR 115 115 5836 1 . LYS 116 116 5836 1 . CYS 117 117 5836 1 . PRO 118 118 5836 1 . VAL 119 119 5836 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5836 _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 $YPM . 633 . . 'Yersinia pseudotuberculosis' 'Yersinia pseudotuberculosis' . . Eubacteria . Yersinia pseudotuberculosis . . . . . . . . . . . ypmA . 5836 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 5836 _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 $YPM . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli Novablue . . plasmid . . pMAL-p2x . . . 5836 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5836 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Yersinia pseudotuberculosis-derived mitogen' '[U-95% 13C; U-90% 15N]' . . 1 $YPM . . 0.5 . . mM . . . . 5836 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5836 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Yersinia pseudotuberculosis-derived mitogen' . . . 1 $YPM . . 0.5 . . mM . . . . 5836 2 stop_ save_ ####################### # Sample conditions # ####################### save_Condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Condition_1 _Sample_condition_list.Entry_ID 5836 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 0 M 5836 1 pH 6.5 0.2 na 5836 1 temperature 298 0.1 K 5836 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5836 _Software.ID 1 _Software.Type . _Software.Name XWINNMR _Software.Version 2.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'raw spectral data processing' 5836 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5836 _Software.ID 2 _Software.Type . _Software.Name XEASY _Software.Version 1.3.13 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignments 5836 2 'data analysis' 5836 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 5836 _Software.ID 3 _Software.Type . _Software.Name DYANA _Software.Version 1.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure refinement' 5836 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 5836 _Software.ID 4 _Software.Type . _Software.Name ARIA _Software.Version 1.1.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure refinement' 5836 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5836 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5836 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 600 . . . 5836 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5836 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5836 1 2 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5836 1 3 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5836 1 4 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5836 1 5 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5836 1 6 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5836 1 7 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5836 1 8 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5836 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5836 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect . . . . . . 5836 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 5836 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect . . . . . . 5836 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5836 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 DQF-COSY . . . 5836 1 2 '2D TOCSY' . . . 5836 1 3 '2D NOESY' . . . 5836 1 4 HNHA . . . 5836 1 5 HN(CO)CA . . . 5836 1 6 HNCA . . . 5836 1 7 CBCA(CO)NH . . . 5836 1 8 HNCACB . . . 5836 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 3 3 ILE HA H 1 4.479 0.002 . 1 . . . . . . . . . 5836 1 2 . 1 1 3 3 ILE HB H 1 1.840 0.003 . 1 . . . . . . . . . 5836 1 3 . 1 1 3 3 ILE HG12 H 1 1.485 0.002 . 1 . . . . . . . . . 5836 1 4 . 1 1 3 3 ILE HG13 H 1 1.154 0.020 . 1 . . . . . . . . . 5836 1 5 . 1 1 3 3 ILE HD11 H 1 0.798 0.001 . 1 . . . . . . . . . 5836 1 6 . 1 1 3 3 ILE HD12 H 1 0.798 0.001 . 1 . . . . . . . . . 5836 1 7 . 1 1 3 3 ILE HD13 H 1 0.798 0.001 . 1 . . . . . . . . . 5836 1 8 . 1 1 3 3 ILE HG21 H 1 0.948 0.001 . 1 . . . . . . . . . 5836 1 9 . 1 1 3 3 ILE HG22 H 1 0.948 0.001 . 1 . . . . . . . . . 5836 1 10 . 1 1 3 3 ILE HG23 H 1 0.948 0.001 . 1 . . . . . . . . . 5836 1 11 . 1 1 4 4 PRO HA H 1 4.420 0.005 . 1 . . . . . . . . . 5836 1 12 . 1 1 4 4 PRO HB2 H 1 2.114 0.001 . 2 . . . . . . . . . 5836 1 13 . 1 1 4 4 PRO HG2 H 1 1.844 0.020 . 2 . . . . . . . . . 5836 1 14 . 1 1 4 4 PRO HD2 H 1 3.871 0.003 . 1 . . . . . . . . . 5836 1 15 . 1 1 4 4 PRO HD3 H 1 3.685 0.003 . 1 . . . . . . . . . 5836 1 16 . 1 1 5 5 ASN H H 1 8.461 0.001 . 1 . . . . . . . . . 5836 1 17 . 1 1 5 5 ASN HA H 1 4.726 0.020 . 1 . . . . . . . . . 5836 1 18 . 1 1 5 5 ASN HB2 H 1 2.933 0.001 . 1 . . . . . . . . . 5836 1 19 . 1 1 5 5 ASN HB3 H 1 2.857 0.003 . 1 . . . . . . . . . 5836 1 20 . 1 1 6 6 ILE H H 1 7.904 0.001 . 1 . . . . . . . . . 5836 1 21 . 1 1 6 6 ILE HA H 1 4.619 0.004 . 1 . . . . . . . . . 5836 1 22 . 1 1 6 6 ILE HB H 1 1.733 0.003 . 1 . . . . . . . . . 5836 1 23 . 1 1 6 6 ILE HG21 H 1 0.750 0.004 . 1 . . . . . . . . . 5836 1 24 . 1 1 6 6 ILE HG22 H 1 0.750 0.004 . 1 . . . . . . . . . 5836 1 25 . 1 1 6 6 ILE HG23 H 1 0.750 0.004 . 1 . . . . . . . . . 5836 1 26 . 1 1 6 6 ILE HG12 H 1 1.107 0.001 . 1 . . . . . . . . . 5836 1 27 . 1 1 6 6 ILE HG13 H 1 1.107 0.001 . 1 . . . . . . . . . 5836 1 28 . 1 1 7 7 ALA H H 1 9.142 0.001 . 1 . . . . . . . . . 5836 1 29 . 1 1 7 7 ALA HA H 1 4.651 0.002 . 1 . . . . . . . . . 5836 1 30 . 1 1 7 7 ALA HB1 H 1 1.274 0.007 . 1 . . . . . . . . . 5836 1 31 . 1 1 7 7 ALA HB2 H 1 1.274 0.007 . 1 . . . . . . . . . 5836 1 32 . 1 1 7 7 ALA HB3 H 1 1.274 0.007 . 1 . . . . . . . . . 5836 1 33 . 1 1 8 8 THR H H 1 8.121 0.002 . 1 . . . . . . . . . 5836 1 34 . 1 1 8 8 THR HA H 1 5.608 0.003 . 1 . . . . . . . . . 5836 1 35 . 1 1 8 8 THR HB H 1 3.562 0.002 . 1 . . . . . . . . . 5836 1 36 . 1 1 8 8 THR HG21 H 1 1.084 0.001 . 1 . . . . . . . . . 5836 1 37 . 1 1 8 8 THR HG22 H 1 1.084 0.001 . 1 . . . . . . . . . 5836 1 38 . 1 1 8 8 THR HG23 H 1 1.084 0.001 . 1 . . . . . . . . . 5836 1 39 . 1 1 9 9 TYR H H 1 9.577 0.001 . 1 . . . . . . . . . 5836 1 40 . 1 1 9 9 TYR HA H 1 4.752 0.001 . 1 . . . . . . . . . 5836 1 41 . 1 1 9 9 TYR HB2 H 1 3.259 0.002 . 1 . . . . . . . . . 5836 1 42 . 1 1 9 9 TYR HB3 H 1 2.880 0.002 . 1 . . . . . . . . . 5836 1 43 . 1 1 9 9 TYR HD1 H 1 7.137 0.001 . 2 . . . . . . . . . 5836 1 44 . 1 1 9 9 TYR HE1 H 1 6.807 0.001 . 2 . . . . . . . . . 5836 1 45 . 1 1 10 10 THR H H 1 8.605 0.002 . 1 . . . . . . . . . 5836 1 46 . 1 1 10 10 THR HA H 1 4.955 0.002 . 1 . . . . . . . . . 5836 1 47 . 1 1 10 10 THR HB H 1 3.984 0.002 . 1 . . . . . . . . . 5836 1 48 . 1 1 10 10 THR HG21 H 1 1.079 0.002 . 1 . . . . . . . . . 5836 1 49 . 1 1 10 10 THR HG22 H 1 1.079 0.002 . 1 . . . . . . . . . 5836 1 50 . 1 1 10 10 THR HG23 H 1 1.079 0.002 . 1 . . . . . . . . . 5836 1 51 . 1 1 11 11 GLY H H 1 7.051 0.003 . 1 . . . . . . . . . 5836 1 52 . 1 1 11 11 GLY HA3 H 1 3.794 0.003 . 1 . . . . . . . . . 5836 1 53 . 1 1 11 11 GLY HA2 H 1 3.974 0.001 . 1 . . . . . . . . . 5836 1 54 . 1 1 12 12 THR H H 1 8.394 0.001 . 1 . . . . . . . . . 5836 1 55 . 1 1 12 12 THR HA H 1 5.034 0.002 . 1 . . . . . . . . . 5836 1 56 . 1 1 12 12 THR HB H 1 3.816 0.001 . 1 . . . . . . . . . 5836 1 57 . 1 1 12 12 THR HG21 H 1 1.065 0.005 . 1 . . . . . . . . . 5836 1 58 . 1 1 12 12 THR HG22 H 1 1.065 0.005 . 1 . . . . . . . . . 5836 1 59 . 1 1 12 12 THR HG23 H 1 1.065 0.005 . 1 . . . . . . . . . 5836 1 60 . 1 1 13 13 ILE H H 1 9.253 0.002 . 1 . . . . . . . . . 5836 1 61 . 1 1 13 13 ILE HA H 1 4.675 0.003 . 1 . . . . . . . . . 5836 1 62 . 1 1 13 13 ILE HB H 1 1.568 0.004 . 1 . . . . . . . . . 5836 1 63 . 1 1 13 13 ILE HD11 H 1 0.577 0.002 . 1 . . . . . . . . . 5836 1 64 . 1 1 13 13 ILE HD12 H 1 0.577 0.002 . 1 . . . . . . . . . 5836 1 65 . 1 1 13 13 ILE HD13 H 1 0.577 0.002 . 1 . . . . . . . . . 5836 1 66 . 1 1 13 13 ILE HG21 H 1 1.066 0.005 . 1 . . . . . . . . . 5836 1 67 . 1 1 13 13 ILE HG22 H 1 1.066 0.005 . 1 . . . . . . . . . 5836 1 68 . 1 1 13 13 ILE HG23 H 1 1.066 0.005 . 1 . . . . . . . . . 5836 1 69 . 1 1 13 13 ILE HG12 H 1 1.156 0.007 . 1 . . . . . . . . . 5836 1 70 . 1 1 13 13 ILE HG13 H 1 1.156 0.007 . 1 . . . . . . . . . 5836 1 71 . 1 1 14 14 GLN H H 1 8.747 0.001 . 1 . . . . . . . . . 5836 1 72 . 1 1 14 14 GLN HA H 1 4.400 0.020 . 1 . . . . . . . . . 5836 1 73 . 1 1 14 14 GLN HB2 H 1 2.471 0.003 . 2 . . . . . . . . . 5836 1 74 . 1 1 14 14 GLN HG2 H 1 2.162 0.006 . 1 . . . . . . . . . 5836 1 75 . 1 1 14 14 GLN HG3 H 1 2.004 0.004 . 1 . . . . . . . . . 5836 1 76 . 1 1 15 15 GLY H H 1 8.537 0.001 . 1 . . . . . . . . . 5836 1 77 . 1 1 15 15 GLY HA3 H 1 3.411 0.001 . 1 . . . . . . . . . 5836 1 78 . 1 1 15 15 GLY HA2 H 1 3.635 0.003 . 1 . . . . . . . . . 5836 1 79 . 1 1 16 16 LYS H H 1 8.427 0.001 . 1 . . . . . . . . . 5836 1 80 . 1 1 16 16 LYS HA H 1 4.347 0.001 . 1 . . . . . . . . . 5836 1 81 . 1 1 16 16 LYS HB2 H 1 2.070 0.001 . 1 . . . . . . . . . 5836 1 82 . 1 1 16 16 LYS HB3 H 1 1.979 0.020 . 1 . . . . . . . . . 5836 1 83 . 1 1 16 16 LYS HG2 H 1 1.130 0.005 . 2 . . . . . . . . . 5836 1 84 . 1 1 16 16 LYS HD2 H 1 1.506 0.003 . 1 . . . . . . . . . 5836 1 85 . 1 1 16 16 LYS HD3 H 1 1.380 0.002 . 1 . . . . . . . . . 5836 1 86 . 1 1 16 16 LYS HE2 H 1 2.882 0.020 . 1 . . . . . . . . . 5836 1 87 . 1 1 17 17 GLY H H 1 8.213 0.002 . 1 . . . . . . . . . 5836 1 88 . 1 1 17 17 GLY HA3 H 1 3.556 0.004 . 1 . . . . . . . . . 5836 1 89 . 1 1 17 17 GLY HA2 H 1 4.336 0.020 . 1 . . . . . . . . . 5836 1 90 . 1 1 18 18 GLU H H 1 8.100 0.003 . 1 . . . . . . . . . 5836 1 91 . 1 1 18 18 GLU HA H 1 5.688 0.002 . 1 . . . . . . . . . 5836 1 92 . 1 1 18 18 GLU HB2 H 1 1.990 0.001 . 1 . . . . . . . . . 5836 1 93 . 1 1 18 18 GLU HB3 H 1 1.736 0.001 . 1 . . . . . . . . . 5836 1 94 . 1 1 18 18 GLU HG2 H 1 2.170 0.020 . 1 . . . . . . . . . 5836 1 95 . 1 1 18 18 GLU HG3 H 1 2.119 0.020 . 1 . . . . . . . . . 5836 1 96 . 1 1 19 19 VAL H H 1 8.862 0.001 . 1 . . . . . . . . . 5836 1 97 . 1 1 19 19 VAL HA H 1 4.300 0.003 . 1 . . . . . . . . . 5836 1 98 . 1 1 19 19 VAL HB H 1 1.565 0.020 . 1 . . . . . . . . . 5836 1 99 . 1 1 19 19 VAL HG11 H 1 0.902 0.002 . 1 . . . . . . . . . 5836 1 100 . 1 1 19 19 VAL HG12 H 1 0.902 0.002 . 1 . . . . . . . . . 5836 1 101 . 1 1 19 19 VAL HG13 H 1 0.902 0.002 . 1 . . . . . . . . . 5836 1 102 . 1 1 19 19 VAL HG21 H 1 0.703 0.001 . 1 . . . . . . . . . 5836 1 103 . 1 1 19 19 VAL HG22 H 1 0.703 0.001 . 1 . . . . . . . . . 5836 1 104 . 1 1 19 19 VAL HG23 H 1 0.703 0.001 . 1 . . . . . . . . . 5836 1 105 . 1 1 20 20 CYS H H 1 9.337 0.020 . 1 . . . . . . . . . 5836 1 106 . 1 1 20 20 CYS HA H 1 5.632 0.004 . 1 . . . . . . . . . 5836 1 107 . 1 1 20 20 CYS HB2 H 1 2.852 0.002 . 1 . . . . . . . . . 5836 1 108 . 1 1 20 20 CYS HB3 H 1 2.721 0.006 . 1 . . . . . . . . . 5836 1 109 . 1 1 21 21 ILE H H 1 9.072 0.001 . 1 . . . . . . . . . 5836 1 110 . 1 1 21 21 ILE HA H 1 4.707 0.020 . 1 . . . . . . . . . 5836 1 111 . 1 1 21 21 ILE HB H 1 1.418 0.003 . 1 . . . . . . . . . 5836 1 112 . 1 1 21 21 ILE HG12 H 1 1.299 0.007 . 1 . . . . . . . . . 5836 1 113 . 1 1 21 21 ILE HG13 H 1 0.710 0.004 . 1 . . . . . . . . . 5836 1 114 . 1 1 21 21 ILE HD11 H 1 0.509 0.006 . 1 . . . . . . . . . 5836 1 115 . 1 1 21 21 ILE HD12 H 1 0.509 0.006 . 1 . . . . . . . . . 5836 1 116 . 1 1 21 21 ILE HD13 H 1 0.509 0.006 . 1 . . . . . . . . . 5836 1 117 . 1 1 21 21 ILE HG21 H 1 0.185 0.004 . 1 . . . . . . . . . 5836 1 118 . 1 1 21 21 ILE HG22 H 1 0.185 0.004 . 1 . . . . . . . . . 5836 1 119 . 1 1 21 21 ILE HG23 H 1 0.185 0.004 . 1 . . . . . . . . . 5836 1 120 . 1 1 33 33 GLU H H 1 8.361 0.007 . 1 . . . . . . . . . 5836 1 121 . 1 1 33 33 GLU HA H 1 4.476 0.020 . 1 . . . . . . . . . 5836 1 122 . 1 1 33 33 GLU HB2 H 1 2.094 0.002 . 1 . . . . . . . . . 5836 1 123 . 1 1 33 33 GLU HB3 H 1 1.977 0.007 . 1 . . . . . . . . . 5836 1 124 . 1 1 34 34 LEU H H 1 9.162 0.001 . 1 . . . . . . . . . 5836 1 125 . 1 1 34 34 LEU HA H 1 4.551 0.020 . 1 . . . . . . . . . 5836 1 126 . 1 1 34 34 LEU HB2 H 1 1.510 0.001 . 1 . . . . . . . . . 5836 1 127 . 1 1 34 34 LEU HB3 H 1 1.382 0.001 . 1 . . . . . . . . . 5836 1 128 . 1 1 34 34 LEU HD11 H 1 -0.114 0.002 . 1 . . . . . . . . . 5836 1 129 . 1 1 34 34 LEU HD12 H 1 -0.114 0.002 . 1 . . . . . . . . . 5836 1 130 . 1 1 34 34 LEU HD13 H 1 -0.114 0.002 . 1 . . . . . . . . . 5836 1 131 . 1 1 34 34 LEU HD21 H 1 -0.314 0.002 . 1 . . . . . . . . . 5836 1 132 . 1 1 34 34 LEU HD22 H 1 -0.314 0.002 . 1 . . . . . . . . . 5836 1 133 . 1 1 34 34 LEU HD23 H 1 -0.314 0.002 . 1 . . . . . . . . . 5836 1 134 . 1 1 34 34 LEU HG H 1 0.847 0.020 . 1 . . . . . . . . . 5836 1 135 . 1 1 35 35 TYR H H 1 8.427 0.020 . 1 . . . . . . . . . 5836 1 136 . 1 1 35 35 TYR HA H 1 5.587 0.003 . 1 . . . . . . . . . 5836 1 137 . 1 1 35 35 TYR HB2 H 1 2.920 0.003 . 1 . . . . . . . . . 5836 1 138 . 1 1 35 35 TYR HB3 H 1 2.857 0.001 . 1 . . . . . . . . . 5836 1 139 . 1 1 35 35 TYR HD1 H 1 6.835 0.002 . 2 . . . . . . . . . 5836 1 140 . 1 1 35 35 TYR HE1 H 1 6.567 0.001 . 2 . . . . . . . . . 5836 1 141 . 1 1 36 36 ALA H H 1 8.015 0.004 . 1 . . . . . . . . . 5836 1 142 . 1 1 36 36 ALA HA H 1 4.773 0.002 . 1 . . . . . . . . . 5836 1 143 . 1 1 36 36 ALA HB1 H 1 -0.033 0.002 . 1 . . . . . . . . . 5836 1 144 . 1 1 36 36 ALA HB2 H 1 -0.033 0.002 . 1 . . . . . . . . . 5836 1 145 . 1 1 36 36 ALA HB3 H 1 -0.033 0.002 . 1 . . . . . . . . . 5836 1 146 . 1 1 37 37 VAL H H 1 8.356 0.001 . 1 . . . . . . . . . 5836 1 147 . 1 1 37 37 VAL HA H 1 3.768 0.005 . 1 . . . . . . . . . 5836 1 148 . 1 1 37 37 VAL HB H 1 1.582 0.003 . 1 . . . . . . . . . 5836 1 149 . 1 1 37 37 VAL HG11 H 1 0.751 0.003 . 1 . . . . . . . . . 5836 1 150 . 1 1 37 37 VAL HG12 H 1 0.751 0.003 . 1 . . . . . . . . . 5836 1 151 . 1 1 37 37 VAL HG13 H 1 0.751 0.003 . 1 . . . . . . . . . 5836 1 152 . 1 1 37 37 VAL HG21 H 1 0.471 0.002 . 1 . . . . . . . . . 5836 1 153 . 1 1 37 37 VAL HG22 H 1 0.471 0.002 . 1 . . . . . . . . . 5836 1 154 . 1 1 37 37 VAL HG23 H 1 0.471 0.002 . 1 . . . . . . . . . 5836 1 155 . 1 1 38 38 LEU H H 1 8.388 0.001 . 1 . . . . . . . . . 5836 1 156 . 1 1 38 38 LEU HA H 1 4.782 0.005 . 1 . . . . . . . . . 5836 1 157 . 1 1 38 38 LEU HB2 H 1 1.710 0.002 . 2 . . . . . . . . . 5836 1 158 . 1 1 38 38 LEU HD11 H 1 1.016 0.006 . 1 . . . . . . . . . 5836 1 159 . 1 1 38 38 LEU HD12 H 1 1.016 0.006 . 1 . . . . . . . . . 5836 1 160 . 1 1 38 38 LEU HD13 H 1 1.016 0.006 . 1 . . . . . . . . . 5836 1 161 . 1 1 38 38 LEU HD21 H 1 0.727 0.020 . 1 . . . . . . . . . 5836 1 162 . 1 1 38 38 LEU HD22 H 1 0.727 0.020 . 1 . . . . . . . . . 5836 1 163 . 1 1 38 38 LEU HD23 H 1 0.727 0.020 . 1 . . . . . . . . . 5836 1 164 . 1 1 38 38 LEU HG H 1 1.481 0.001 . 1 . . . . . . . . . 5836 1 165 . 1 1 39 39 HIS H H 1 9.271 0.001 . 1 . . . . . . . . . 5836 1 166 . 1 1 39 39 HIS HA H 1 5.261 0.001 . 1 . . . . . . . . . 5836 1 167 . 1 1 39 39 HIS HB2 H 1 3.333 0.001 . 1 . . . . . . . . . 5836 1 168 . 1 1 39 39 HIS HB3 H 1 3.086 0.002 . 1 . . . . . . . . . 5836 1 169 . 1 1 39 39 HIS HD2 H 1 7.289 0.001 . 1 . . . . . . . . . 5836 1 170 . 1 1 39 39 HIS HE1 H 1 8.614 0.020 . 1 . . . . . . . . . 5836 1 171 . 1 1 40 40 SER H H 1 9.134 0.020 . 1 . . . . . . . . . 5836 1 172 . 1 1 40 40 SER HA H 1 4.768 0.005 . 1 . . . . . . . . . 5836 1 173 . 1 1 40 40 SER HB2 H 1 3.969 0.004 . 1 . . . . . . . . . 5836 1 174 . 1 1 40 40 SER HB3 H 1 3.414 0.001 . 1 . . . . . . . . . 5836 1 175 . 1 1 41 41 THR H H 1 8.146 0.002 . 1 . . . . . . . . . 5836 1 176 . 1 1 41 41 THR HA H 1 4.247 0.020 . 1 . . . . . . . . . 5836 1 177 . 1 1 41 41 THR HG21 H 1 1.181 0.001 . 1 . . . . . . . . . 5836 1 178 . 1 1 41 41 THR HG22 H 1 1.181 0.001 . 1 . . . . . . . . . 5836 1 179 . 1 1 41 41 THR HG23 H 1 1.181 0.001 . 1 . . . . . . . . . 5836 1 180 . 1 1 42 42 ASN H H 1 8.600 0.001 . 1 . . . . . . . . . 5836 1 181 . 1 1 42 42 ASN HA H 1 4.776 0.001 . 1 . . . . . . . . . 5836 1 182 . 1 1 42 42 ASN HB2 H 1 3.007 0.001 . 1 . . . . . . . . . 5836 1 183 . 1 1 42 42 ASN HB3 H 1 2.891 0.020 . 1 . . . . . . . . . 5836 1 184 . 1 1 42 42 ASN HD21 H 1 7.455 0.001 . 1 . . . . . . . . . 5836 1 185 . 1 1 42 42 ASN HD22 H 1 7.002 0.001 . 1 . . . . . . . . . 5836 1 186 . 1 1 43 43 VAL H H 1 8.663 0.001 . 1 . . . . . . . . . 5836 1 187 . 1 1 43 43 VAL HA H 1 4.017 0.002 . 1 . . . . . . . . . 5836 1 188 . 1 1 43 43 VAL HB H 1 2.194 0.001 . 1 . . . . . . . . . 5836 1 189 . 1 1 43 43 VAL HG11 H 1 1.025 0.001 . 1 . . . . . . . . . 5836 1 190 . 1 1 43 43 VAL HG12 H 1 1.025 0.001 . 1 . . . . . . . . . 5836 1 191 . 1 1 43 43 VAL HG13 H 1 1.025 0.001 . 1 . . . . . . . . . 5836 1 192 . 1 1 43 43 VAL HG21 H 1 1.025 0.001 . 1 . . . . . . . . . 5836 1 193 . 1 1 43 43 VAL HG22 H 1 1.025 0.001 . 1 . . . . . . . . . 5836 1 194 . 1 1 43 43 VAL HG23 H 1 1.025 0.001 . 1 . . . . . . . . . 5836 1 195 . 1 1 44 44 ASN H H 1 8.282 0.001 . 1 . . . . . . . . . 5836 1 196 . 1 1 44 44 ASN HA H 1 4.879 0.001 . 1 . . . . . . . . . 5836 1 197 . 1 1 44 44 ASN HB2 H 1 3.003 0.001 . 1 . . . . . . . . . 5836 1 198 . 1 1 44 44 ASN HB3 H 1 2.740 0.002 . 1 . . . . . . . . . 5836 1 199 . 1 1 44 44 ASN HD21 H 1 7.705 0.001 . 1 . . . . . . . . . 5836 1 200 . 1 1 44 44 ASN HD22 H 1 6.909 0.001 . 1 . . . . . . . . . 5836 1 201 . 1 1 45 45 ALA H H 1 7.332 0.002 . 1 . . . . . . . . . 5836 1 202 . 1 1 45 45 ALA HA H 1 4.031 0.004 . 1 . . . . . . . . . 5836 1 203 . 1 1 45 45 ALA HB1 H 1 1.518 0.002 . 1 . . . . . . . . . 5836 1 204 . 1 1 45 45 ALA HB2 H 1 1.518 0.002 . 1 . . . . . . . . . 5836 1 205 . 1 1 45 45 ALA HB3 H 1 1.518 0.002 . 1 . . . . . . . . . 5836 1 206 . 1 1 46 46 ASP H H 1 9.080 0.003 . 1 . . . . . . . . . 5836 1 207 . 1 1 46 46 ASP HA H 1 4.755 0.001 . 1 . . . . . . . . . 5836 1 208 . 1 1 46 46 ASP HB2 H 1 2.783 0.006 . 1 . . . . . . . . . 5836 1 209 . 1 1 46 46 ASP HB3 H 1 2.521 0.003 . 1 . . . . . . . . . 5836 1 210 . 1 1 47 47 MET H H 1 7.263 0.002 . 1 . . . . . . . . . 5836 1 211 . 1 1 47 47 MET HA H 1 5.441 0.002 . 1 . . . . . . . . . 5836 1 212 . 1 1 47 47 MET HB2 H 1 2.701 0.004 . 1 . . . . . . . . . 5836 1 213 . 1 1 47 47 MET HB3 H 1 2.515 0.006 . 1 . . . . . . . . . 5836 1 214 . 1 1 47 47 MET HG2 H 1 1.963 0.001 . 1 . . . . . . . . . 5836 1 215 . 1 1 47 47 MET HG3 H 1 1.679 0.005 . 1 . . . . . . . . . 5836 1 216 . 1 1 47 47 MET HE1 H 1 2.071 0.001 . 1 . . . . . . . . . 5836 1 217 . 1 1 47 47 MET HE2 H 1 2.071 0.001 . 1 . . . . . . . . . 5836 1 218 . 1 1 47 47 MET HE3 H 1 2.071 0.001 . 1 . . . . . . . . . 5836 1 219 . 1 1 48 48 THR H H 1 8.843 0.001 . 1 . . . . . . . . . 5836 1 220 . 1 1 48 48 THR HA H 1 4.673 0.003 . 1 . . . . . . . . . 5836 1 221 . 1 1 48 48 THR HB H 1 3.614 0.002 . 1 . . . . . . . . . 5836 1 222 . 1 1 48 48 THR HG1 H 1 5.846 0.020 . 1 . . . . . . . . . 5836 1 223 . 1 1 48 48 THR HG21 H 1 1.249 0.003 . 1 . . . . . . . . . 5836 1 224 . 1 1 48 48 THR HG22 H 1 1.249 0.003 . 1 . . . . . . . . . 5836 1 225 . 1 1 48 48 THR HG23 H 1 1.249 0.003 . 1 . . . . . . . . . 5836 1 226 . 1 1 49 49 LEU H H 1 9.064 0.001 . 1 . . . . . . . . . 5836 1 227 . 1 1 49 49 LEU HA H 1 5.029 0.001 . 1 . . . . . . . . . 5836 1 228 . 1 1 49 49 LEU HB2 H 1 1.861 0.001 . 2 . . . . . . . . . 5836 1 229 . 1 1 49 49 LEU HD11 H 1 0.904 0.002 . 1 . . . . . . . . . 5836 1 230 . 1 1 49 49 LEU HD12 H 1 0.904 0.002 . 1 . . . . . . . . . 5836 1 231 . 1 1 49 49 LEU HD13 H 1 0.904 0.002 . 1 . . . . . . . . . 5836 1 232 . 1 1 49 49 LEU HD21 H 1 0.593 0.003 . 1 . . . . . . . . . 5836 1 233 . 1 1 49 49 LEU HD22 H 1 0.593 0.003 . 1 . . . . . . . . . 5836 1 234 . 1 1 49 49 LEU HD23 H 1 0.593 0.003 . 1 . . . . . . . . . 5836 1 235 . 1 1 49 49 LEU HG H 1 1.103 0.002 . 1 . . . . . . . . . 5836 1 236 . 1 1 50 50 ILE H H 1 9.903 0.001 . 1 . . . . . . . . . 5836 1 237 . 1 1 50 50 ILE HA H 1 4.591 0.003 . 1 . . . . . . . . . 5836 1 238 . 1 1 50 50 ILE HB H 1 1.737 0.004 . 1 . . . . . . . . . 5836 1 239 . 1 1 50 50 ILE HD11 H 1 0.908 0.002 . 1 . . . . . . . . . 5836 1 240 . 1 1 50 50 ILE HD12 H 1 0.908 0.002 . 1 . . . . . . . . . 5836 1 241 . 1 1 50 50 ILE HD13 H 1 0.908 0.002 . 1 . . . . . . . . . 5836 1 242 . 1 1 50 50 ILE HG21 H 1 0.697 0.007 . 1 . . . . . . . . . 5836 1 243 . 1 1 50 50 ILE HG22 H 1 0.697 0.007 . 1 . . . . . . . . . 5836 1 244 . 1 1 50 50 ILE HG23 H 1 0.697 0.007 . 1 . . . . . . . . . 5836 1 245 . 1 1 50 50 ILE HG12 H 1 0.859 0.005 . 1 . . . . . . . . . 5836 1 246 . 1 1 50 50 ILE HG13 H 1 0.859 0.005 . 1 . . . . . . . . . 5836 1 247 . 1 1 51 51 LEU H H 1 8.745 0.001 . 1 . . . . . . . . . 5836 1 248 . 1 1 51 51 LEU HA H 1 4.965 0.005 . 1 . . . . . . . . . 5836 1 249 . 1 1 51 51 LEU HB2 H 1 1.648 0.006 . 1 . . . . . . . . . 5836 1 250 . 1 1 51 51 LEU HB3 H 1 1.329 0.005 . 1 . . . . . . . . . 5836 1 251 . 1 1 51 51 LEU HD11 H 1 0.266 0.002 . 1 . . . . . . . . . 5836 1 252 . 1 1 51 51 LEU HD12 H 1 0.266 0.002 . 1 . . . . . . . . . 5836 1 253 . 1 1 51 51 LEU HD13 H 1 0.266 0.002 . 1 . . . . . . . . . 5836 1 254 . 1 1 51 51 LEU HD21 H 1 -0.191 0.002 . 1 . . . . . . . . . 5836 1 255 . 1 1 51 51 LEU HD22 H 1 -0.191 0.002 . 1 . . . . . . . . . 5836 1 256 . 1 1 51 51 LEU HD23 H 1 -0.191 0.002 . 1 . . . . . . . . . 5836 1 257 . 1 1 51 51 LEU HG H 1 1.048 0.003 . 1 . . . . . . . . . 5836 1 258 . 1 1 52 52 LEU H H 1 9.503 0.003 . 1 . . . . . . . . . 5836 1 259 . 1 1 52 52 LEU HA H 1 5.263 0.004 . 1 . . . . . . . . . 5836 1 260 . 1 1 52 52 LEU HB2 H 1 1.909 0.004 . 1 . . . . . . . . . 5836 1 261 . 1 1 52 52 LEU HB3 H 1 1.533 0.003 . 1 . . . . . . . . . 5836 1 262 . 1 1 52 52 LEU HD11 H 1 0.664 0.003 . 1 . . . . . . . . . 5836 1 263 . 1 1 52 52 LEU HD12 H 1 0.664 0.003 . 1 . . . . . . . . . 5836 1 264 . 1 1 52 52 LEU HD13 H 1 0.664 0.003 . 1 . . . . . . . . . 5836 1 265 . 1 1 52 52 LEU HD21 H 1 0.552 0.002 . 1 . . . . . . . . . 5836 1 266 . 1 1 52 52 LEU HD22 H 1 0.552 0.002 . 1 . . . . . . . . . 5836 1 267 . 1 1 52 52 LEU HD23 H 1 0.552 0.002 . 1 . . . . . . . . . 5836 1 268 . 1 1 52 52 LEU HG H 1 1.423 0.005 . 1 . . . . . . . . . 5836 1 269 . 1 1 53 53 ARG H H 1 8.933 0.002 . 1 . . . . . . . . . 5836 1 270 . 1 1 53 53 ARG HA H 1 4.982 0.004 . 1 . . . . . . . . . 5836 1 271 . 1 1 53 53 ARG HB2 H 1 1.658 0.001 . 1 . . . . . . . . . 5836 1 272 . 1 1 53 53 ARG HB3 H 1 1.463 0.020 . 1 . . . . . . . . . 5836 1 273 . 1 1 54 54 ASN HD22 H 1 6.197 0.001 . 1 . . . . . . . . . 5836 1 274 . 1 1 55 55 VAL H H 1 8.271 0.020 . 1 . . . . . . . . . 5836 1 275 . 1 1 55 55 VAL HA H 1 4.337 0.020 . 1 . . . . . . . . . 5836 1 276 . 1 1 55 55 VAL HB H 1 1.613 0.020 . 1 . . . . . . . . . 5836 1 277 . 1 1 55 55 VAL HG11 H 1 0.043 0.020 . 1 . . . . . . . . . 5836 1 278 . 1 1 55 55 VAL HG12 H 1 0.043 0.020 . 1 . . . . . . . . . 5836 1 279 . 1 1 55 55 VAL HG13 H 1 0.043 0.020 . 1 . . . . . . . . . 5836 1 280 . 1 1 55 55 VAL HG21 H 1 -0.020 0.001 . 1 . . . . . . . . . 5836 1 281 . 1 1 55 55 VAL HG22 H 1 -0.020 0.001 . 1 . . . . . . . . . 5836 1 282 . 1 1 55 55 VAL HG23 H 1 -0.020 0.001 . 1 . . . . . . . . . 5836 1 283 . 1 1 57 57 GLY H H 1 7.857 0.001 . 1 . . . . . . . . . 5836 1 284 . 1 1 57 57 GLY HA3 H 1 3.503 0.002 . 1 . . . . . . . . . 5836 1 285 . 1 1 57 57 GLY HA2 H 1 3.944 0.001 . 1 . . . . . . . . . 5836 1 286 . 1 1 58 58 ASN H H 1 7.929 0.001 . 1 . . . . . . . . . 5836 1 287 . 1 1 58 58 ASN HA H 1 4.588 0.003 . 1 . . . . . . . . . 5836 1 288 . 1 1 58 58 ASN HB2 H 1 2.811 0.001 . 2 . . . . . . . . . 5836 1 289 . 1 1 58 58 ASN HD21 H 1 7.420 0.020 . 1 . . . . . . . . . 5836 1 290 . 1 1 58 58 ASN HD22 H 1 6.832 0.020 . 1 . . . . . . . . . 5836 1 291 . 1 1 59 59 GLY H H 1 7.727 0.002 . 1 . . . . . . . . . 5836 1 292 . 1 1 59 59 GLY HA3 H 1 3.608 0.003 . 1 . . . . . . . . . 5836 1 293 . 1 1 59 59 GLY HA2 H 1 4.219 0.002 . 1 . . . . . . . . . 5836 1 294 . 1 1 60 60 TRP H H 1 8.166 0.003 . 1 . . . . . . . . . 5836 1 295 . 1 1 60 60 TRP HA H 1 4.545 0.002 . 1 . . . . . . . . . 5836 1 296 . 1 1 60 60 TRP HB2 H 1 2.904 0.003 . 1 . . . . . . . . . 5836 1 297 . 1 1 60 60 TRP HB3 H 1 2.831 0.002 . 1 . . . . . . . . . 5836 1 298 . 1 1 60 60 TRP HD1 H 1 7.235 0.002 . 1 . . . . . . . . . 5836 1 299 . 1 1 60 60 TRP HE1 H 1 10.290 0.002 . 1 . . . . . . . . . 5836 1 300 . 1 1 60 60 TRP HE3 H 1 7.005 0.003 . 1 . . . . . . . . . 5836 1 301 . 1 1 60 60 TRP HZ2 H 1 7.446 0.002 . 1 . . . . . . . . . 5836 1 302 . 1 1 60 60 TRP HZ3 H 1 6.705 0.001 . 1 . . . . . . . . . 5836 1 303 . 1 1 60 60 TRP HH2 H 1 6.946 0.001 . 1 . . . . . . . . . 5836 1 304 . 1 1 61 61 GLY H H 1 8.683 0.001 . 1 . . . . . . . . . 5836 1 305 . 1 1 61 61 GLY HA3 H 1 3.806 0.020 . 1 . . . . . . . . . 5836 1 306 . 1 1 61 61 GLY HA2 H 1 4.495 0.002 . 1 . . . . . . . . . 5836 1 307 . 1 1 62 62 GLU H H 1 8.749 0.001 . 1 . . . . . . . . . 5836 1 308 . 1 1 62 62 GLU HA H 1 4.419 0.002 . 1 . . . . . . . . . 5836 1 309 . 1 1 62 62 GLU HB2 H 1 2.173 0.001 . 2 . . . . . . . . . 5836 1 310 . 1 1 62 62 GLU HG2 H 1 1.840 0.020 . 2 . . . . . . . . . 5836 1 311 . 1 1 63 63 ILE H H 1 9.147 0.002 . 1 . . . . . . . . . 5836 1 312 . 1 1 63 63 ILE HA H 1 4.559 0.001 . 1 . . . . . . . . . 5836 1 313 . 1 1 63 63 ILE HB H 1 1.579 0.004 . 1 . . . . . . . . . 5836 1 314 . 1 1 63 63 ILE HG12 H 1 1.389 0.020 . 1 . . . . . . . . . 5836 1 315 . 1 1 63 63 ILE HG13 H 1 1.389 0.020 . 1 . . . . . . . . . 5836 1 316 . 1 1 63 63 ILE HG21 H 1 0.534 0.003 . 1 . . . . . . . . . 5836 1 317 . 1 1 63 63 ILE HG22 H 1 0.534 0.003 . 1 . . . . . . . . . 5836 1 318 . 1 1 63 63 ILE HG23 H 1 0.534 0.003 . 1 . . . . . . . . . 5836 1 319 . 1 1 64 64 LYS H H 1 7.464 0.001 . 1 . . . . . . . . . 5836 1 320 . 1 1 64 64 LYS HA H 1 4.705 0.001 . 1 . . . . . . . . . 5836 1 321 . 1 1 64 64 LYS HB2 H 1 1.876 0.013 . 1 . . . . . . . . . 5836 1 322 . 1 1 64 64 LYS HB3 H 1 1.789 0.002 . 1 . . . . . . . . . 5836 1 323 . 1 1 64 64 LYS HG2 H 1 1.519 0.007 . 2 . . . . . . . . . 5836 1 324 . 1 1 64 64 LYS HD2 H 1 1.627 0.005 . 2 . . . . . . . . . 5836 1 325 . 1 1 64 64 LYS HE2 H 1 3.256 0.001 . 1 . . . . . . . . . 5836 1 326 . 1 1 65 65 ARG H H 1 8.246 0.001 . 1 . . . . . . . . . 5836 1 327 . 1 1 65 65 ARG HA H 1 5.672 0.004 . 1 . . . . . . . . . 5836 1 328 . 1 1 65 65 ARG HB2 H 1 2.048 0.004 . 1 . . . . . . . . . 5836 1 329 . 1 1 65 65 ARG HB3 H 1 1.990 0.001 . 1 . . . . . . . . . 5836 1 330 . 1 1 65 65 ARG HG2 H 1 1.452 0.004 . 2 . . . . . . . . . 5836 1 331 . 1 1 66 66 ASN H H 1 9.782 0.001 . 1 . . . . . . . . . 5836 1 332 . 1 1 66 66 ASN HA H 1 5.037 0.001 . 1 . . . . . . . . . 5836 1 333 . 1 1 66 66 ASN HB2 H 1 3.134 0.002 . 1 . . . . . . . . . 5836 1 334 . 1 1 66 66 ASN HB3 H 1 2.436 0.007 . 1 . . . . . . . . . 5836 1 335 . 1 1 66 66 ASN HD21 H 1 6.655 0.001 . 1 . . . . . . . . . 5836 1 336 . 1 1 66 66 ASN HD22 H 1 6.605 0.001 . 1 . . . . . . . . . 5836 1 337 . 1 1 67 67 ASP H H 1 8.032 0.002 . 1 . . . . . . . . . 5836 1 338 . 1 1 67 67 ASP HA H 1 5.020 0.005 . 1 . . . . . . . . . 5836 1 339 . 1 1 67 67 ASP HB2 H 1 3.130 0.005 . 1 . . . . . . . . . 5836 1 340 . 1 1 67 67 ASP HB3 H 1 2.442 0.020 . 1 . . . . . . . . . 5836 1 341 . 1 1 68 68 ILE H H 1 7.818 0.001 . 1 . . . . . . . . . 5836 1 342 . 1 1 68 68 ILE HA H 1 3.587 0.002 . 1 . . . . . . . . . 5836 1 343 . 1 1 68 68 ILE HB H 1 1.762 0.004 . 1 . . . . . . . . . 5836 1 344 . 1 1 68 68 ILE HD11 H 1 1.459 0.020 . 1 . . . . . . . . . 5836 1 345 . 1 1 68 68 ILE HD12 H 1 1.459 0.020 . 1 . . . . . . . . . 5836 1 346 . 1 1 68 68 ILE HD13 H 1 1.459 0.020 . 1 . . . . . . . . . 5836 1 347 . 1 1 68 68 ILE HG21 H 1 0.888 0.001 . 1 . . . . . . . . . 5836 1 348 . 1 1 68 68 ILE HG22 H 1 0.888 0.001 . 1 . . . . . . . . . 5836 1 349 . 1 1 68 68 ILE HG23 H 1 0.888 0.001 . 1 . . . . . . . . . 5836 1 350 . 1 1 68 68 ILE HG12 H 1 1.057 0.004 . 1 . . . . . . . . . 5836 1 351 . 1 1 68 68 ILE HG13 H 1 1.057 0.004 . 1 . . . . . . . . . 5836 1 352 . 1 1 69 69 ASP H H 1 9.073 0.002 . 1 . . . . . . . . . 5836 1 353 . 1 1 69 69 ASP HA H 1 4.096 0.002 . 1 . . . . . . . . . 5836 1 354 . 1 1 69 69 ASP HB2 H 1 3.237 0.002 . 1 . . . . . . . . . 5836 1 355 . 1 1 69 69 ASP HB3 H 1 3.034 0.020 . 1 . . . . . . . . . 5836 1 356 . 1 1 70 70 LYS H H 1 7.617 0.002 . 1 . . . . . . . . . 5836 1 357 . 1 1 70 70 LYS HA H 1 4.977 0.001 . 1 . . . . . . . . . 5836 1 358 . 1 1 70 70 LYS HB2 H 1 1.908 0.001 . 2 . . . . . . . . . 5836 1 359 . 1 1 70 70 LYS HG2 H 1 1.511 0.002 . 1 . . . . . . . . . 5836 1 360 . 1 1 70 70 LYS HG3 H 1 1.375 0.004 . 1 . . . . . . . . . 5836 1 361 . 1 1 70 70 LYS HD2 H 1 1.789 0.020 . 1 . . . . . . . . . 5836 1 362 . 1 1 70 70 LYS HD3 H 1 1.721 0.001 . 1 . . . . . . . . . 5836 1 363 . 1 1 70 70 LYS HE2 H 1 3.118 0.020 . 1 . . . . . . . . . 5836 1 364 . 1 1 71 71 PRO HA H 1 4.128 0.003 . 1 . . . . . . . . . 5836 1 365 . 1 1 71 71 PRO HB2 H 1 2.196 0.001 . 1 . . . . . . . . . 5836 1 366 . 1 1 71 71 PRO HB3 H 1 2.028 0.001 . 1 . . . . . . . . . 5836 1 367 . 1 1 71 71 PRO HG2 H 1 1.916 0.001 . 1 . . . . . . . . . 5836 1 368 . 1 1 71 71 PRO HG3 H 1 1.722 0.003 . 1 . . . . . . . . . 5836 1 369 . 1 1 71 71 PRO HD2 H 1 3.993 0.001 . 1 . . . . . . . . . 5836 1 370 . 1 1 71 71 PRO HD3 H 1 3.767 0.001 . 1 . . . . . . . . . 5836 1 371 . 1 1 72 72 LEU H H 1 9.298 0.001 . 1 . . . . . . . . . 5836 1 372 . 1 1 72 72 LEU HA H 1 4.496 0.003 . 1 . . . . . . . . . 5836 1 373 . 1 1 72 72 LEU HB2 H 1 1.899 0.001 . 2 . . . . . . . . . 5836 1 374 . 1 1 72 72 LEU HD11 H 1 1.378 0.002 . 1 . . . . . . . . . 5836 1 375 . 1 1 72 72 LEU HD12 H 1 1.378 0.002 . 1 . . . . . . . . . 5836 1 376 . 1 1 72 72 LEU HD13 H 1 1.378 0.002 . 1 . . . . . . . . . 5836 1 377 . 1 1 72 72 LEU HD21 H 1 0.907 0.002 . 1 . . . . . . . . . 5836 1 378 . 1 1 72 72 LEU HD22 H 1 0.907 0.002 . 1 . . . . . . . . . 5836 1 379 . 1 1 72 72 LEU HD23 H 1 0.907 0.002 . 1 . . . . . . . . . 5836 1 380 . 1 1 72 72 LEU HG H 1 1.626 0.001 . 1 . . . . . . . . . 5836 1 381 . 1 1 73 73 LYS H H 1 8.193 0.003 . 1 . . . . . . . . . 5836 1 382 . 1 1 73 73 LYS HA H 1 5.438 0.002 . 1 . . . . . . . . . 5836 1 383 . 1 1 73 73 LYS HB2 H 1 1.878 0.012 . 2 . . . . . . . . . 5836 1 384 . 1 1 73 73 LYS HG2 H 1 1.459 0.001 . 2 . . . . . . . . . 5836 1 385 . 1 1 73 73 LYS HD2 H 1 1.700 0.012 . 2 . . . . . . . . . 5836 1 386 . 1 1 73 73 LYS HE2 H 1 2.924 0.001 . 1 . . . . . . . . . 5836 1 387 . 1 1 74 74 TYR H H 1 8.868 0.001 . 1 . . . . . . . . . 5836 1 388 . 1 1 74 74 TYR HA H 1 4.647 0.005 . 1 . . . . . . . . . 5836 1 389 . 1 1 74 74 TYR HB2 H 1 2.644 0.002 . 1 . . . . . . . . . 5836 1 390 . 1 1 74 74 TYR HB3 H 1 2.325 0.003 . 1 . . . . . . . . . 5836 1 391 . 1 1 74 74 TYR HD1 H 1 6.841 0.020 . 2 . . . . . . . . . 5836 1 392 . 1 1 74 74 TYR HE1 H 1 6.658 0.020 . 2 . . . . . . . . . 5836 1 393 . 1 1 77 77 TYR H H 1 8.524 0.001 . 1 . . . . . . . . . 5836 1 394 . 1 1 77 77 TYR HA H 1 4.366 0.002 . 1 . . . . . . . . . 5836 1 395 . 1 1 77 77 TYR HB2 H 1 2.906 0.001 . 1 . . . . . . . . . 5836 1 396 . 1 1 77 77 TYR HB3 H 1 2.523 0.020 . 1 . . . . . . . . . 5836 1 397 . 1 1 77 77 TYR HD1 H 1 6.967 0.002 . 2 . . . . . . . . . 5836 1 398 . 1 1 77 77 TYR HE1 H 1 6.730 0.002 . 2 . . . . . . . . . 5836 1 399 . 1 1 78 78 TYR H H 1 8.356 0.020 . 1 . . . . . . . . . 5836 1 400 . 1 1 78 78 TYR HA H 1 4.664 0.001 . 1 . . . . . . . . . 5836 1 401 . 1 1 78 78 TYR HB2 H 1 3.165 0.002 . 1 . . . . . . . . . 5836 1 402 . 1 1 78 78 TYR HB3 H 1 2.967 0.001 . 1 . . . . . . . . . 5836 1 403 . 1 1 78 78 TYR HD1 H 1 7.197 0.020 . 2 . . . . . . . . . 5836 1 404 . 1 1 78 78 TYR HE1 H 1 6.868 0.020 . 2 . . . . . . . . . 5836 1 405 . 1 1 79 79 THR H H 1 8.296 0.001 . 1 . . . . . . . . . 5836 1 406 . 1 1 79 79 THR HA H 1 4.259 0.020 . 1 . . . . . . . . . 5836 1 407 . 1 1 79 79 THR HB H 1 4.154 0.020 . 1 . . . . . . . . . 5836 1 408 . 1 1 79 79 THR HG21 H 1 1.212 0.003 . 1 . . . . . . . . . 5836 1 409 . 1 1 79 79 THR HG22 H 1 1.212 0.003 . 1 . . . . . . . . . 5836 1 410 . 1 1 79 79 THR HG23 H 1 1.212 0.003 . 1 . . . . . . . . . 5836 1 411 . 1 1 84 84 TRP H H 1 8.273 0.001 . 1 . . . . . . . . . 5836 1 412 . 1 1 84 84 TRP HA H 1 5.742 0.002 . 1 . . . . . . . . . 5836 1 413 . 1 1 84 84 TRP HB2 H 1 2.900 0.003 . 1 . . . . . . . . . 5836 1 414 . 1 1 84 84 TRP HB3 H 1 2.650 0.001 . 1 . . . . . . . . . 5836 1 415 . 1 1 84 84 TRP HE1 H 1 10.416 0.020 . 1 . . . . . . . . . 5836 1 416 . 1 1 84 84 TRP HE3 H 1 7.320 0.001 . 1 . . . . . . . . . 5836 1 417 . 1 1 84 84 TRP HZ2 H 1 7.420 0.002 . 1 . . . . . . . . . 5836 1 418 . 1 1 84 84 TRP HZ3 H 1 6.796 0.020 . 1 . . . . . . . . . 5836 1 419 . 1 1 84 84 TRP HH2 H 1 7.037 0.001 . 1 . . . . . . . . . 5836 1 420 . 1 1 85 85 ILE H H 1 8.740 0.006 . 1 . . . . . . . . . 5836 1 421 . 1 1 85 85 ILE HA H 1 4.425 0.005 . 1 . . . . . . . . . 5836 1 422 . 1 1 85 85 ILE HB H 1 1.255 0.003 . 1 . . . . . . . . . 5836 1 423 . 1 1 85 85 ILE HD11 H 1 1.016 0.001 . 1 . . . . . . . . . 5836 1 424 . 1 1 85 85 ILE HD12 H 1 1.016 0.001 . 1 . . . . . . . . . 5836 1 425 . 1 1 85 85 ILE HD13 H 1 1.016 0.001 . 1 . . . . . . . . . 5836 1 426 . 1 1 85 85 ILE HG21 H 1 -0.534 0.003 . 1 . . . . . . . . . 5836 1 427 . 1 1 85 85 ILE HG22 H 1 -0.534 0.003 . 1 . . . . . . . . . 5836 1 428 . 1 1 85 85 ILE HG23 H 1 -0.534 0.003 . 1 . . . . . . . . . 5836 1 429 . 1 1 85 85 ILE HG12 H 1 0.418 0.003 . 1 . . . . . . . . . 5836 1 430 . 1 1 85 85 ILE HG13 H 1 0.418 0.003 . 1 . . . . . . . . . 5836 1 431 . 1 1 86 86 TRP H H 1 9.212 0.003 . 1 . . . . . . . . . 5836 1 432 . 1 1 86 86 TRP HA H 1 5.213 0.003 . 1 . . . . . . . . . 5836 1 433 . 1 1 86 86 TRP HB2 H 1 2.975 0.004 . 1 . . . . . . . . . 5836 1 434 . 1 1 86 86 TRP HB3 H 1 2.844 0.003 . 1 . . . . . . . . . 5836 1 435 . 1 1 86 86 TRP HD1 H 1 6.723 0.002 . 1 . . . . . . . . . 5836 1 436 . 1 1 86 86 TRP HE1 H 1 10.600 0.002 . 1 . . . . . . . . . 5836 1 437 . 1 1 86 86 TRP HE3 H 1 7.268 0.002 . 1 . . . . . . . . . 5836 1 438 . 1 1 86 86 TRP HZ2 H 1 7.192 0.001 . 1 . . . . . . . . . 5836 1 439 . 1 1 86 86 TRP HZ3 H 1 6.838 0.001 . 1 . . . . . . . . . 5836 1 440 . 1 1 86 86 TRP HH2 H 1 6.658 0.001 . 1 . . . . . . . . . 5836 1 441 . 1 1 87 87 LYS H H 1 9.979 0.002 . 1 . . . . . . . . . 5836 1 442 . 1 1 87 87 LYS HA H 1 5.243 0.003 . 1 . . . . . . . . . 5836 1 443 . 1 1 87 87 LYS HB2 H 1 1.763 0.001 . 1 . . . . . . . . . 5836 1 444 . 1 1 87 87 LYS HB3 H 1 1.428 0.020 . 1 . . . . . . . . . 5836 1 445 . 1 1 87 87 LYS HG2 H 1 0.951 0.002 . 2 . . . . . . . . . 5836 1 446 . 1 1 87 87 LYS HD2 H 1 1.259 0.002 . 2 . . . . . . . . . 5836 1 447 . 1 1 88 88 ILE H H 1 9.376 0.002 . 1 . . . . . . . . . 5836 1 448 . 1 1 88 88 ILE HA H 1 4.478 0.002 . 1 . . . . . . . . . 5836 1 449 . 1 1 88 88 ILE HB H 1 1.344 0.002 . 1 . . . . . . . . . 5836 1 450 . 1 1 88 88 ILE HD11 H 1 0.122 0.001 . 1 . . . . . . . . . 5836 1 451 . 1 1 88 88 ILE HD12 H 1 0.122 0.001 . 1 . . . . . . . . . 5836 1 452 . 1 1 88 88 ILE HD13 H 1 0.122 0.001 . 1 . . . . . . . . . 5836 1 453 . 1 1 88 88 ILE HG21 H 1 0.456 0.004 . 1 . . . . . . . . . 5836 1 454 . 1 1 88 88 ILE HG22 H 1 0.456 0.004 . 1 . . . . . . . . . 5836 1 455 . 1 1 88 88 ILE HG23 H 1 0.456 0.004 . 1 . . . . . . . . . 5836 1 456 . 1 1 88 88 ILE HG12 H 1 0.580 0.002 . 1 . . . . . . . . . 5836 1 457 . 1 1 88 88 ILE HG13 H 1 0.580 0.002 . 1 . . . . . . . . . 5836 1 458 . 1 1 89 89 LYS H H 1 8.897 0.001 . 1 . . . . . . . . . 5836 1 459 . 1 1 89 89 LYS HA H 1 4.884 0.003 . 1 . . . . . . . . . 5836 1 460 . 1 1 89 89 LYS HB2 H 1 1.860 0.007 . 1 . . . . . . . . . 5836 1 461 . 1 1 89 89 LYS HB3 H 1 1.691 0.001 . 1 . . . . . . . . . 5836 1 462 . 1 1 89 89 LYS HG2 H 1 1.301 0.020 . 2 . . . . . . . . . 5836 1 463 . 1 1 89 89 LYS HD2 H 1 1.541 0.020 . 2 . . . . . . . . . 5836 1 464 . 1 1 90 90 ASN H H 1 8.839 0.001 . 1 . . . . . . . . . 5836 1 465 . 1 1 90 90 ASN HA H 1 4.983 0.001 . 1 . . . . . . . . . 5836 1 466 . 1 1 90 90 ASN HB2 H 1 3.309 0.003 . 1 . . . . . . . . . 5836 1 467 . 1 1 90 90 ASN HB3 H 1 2.423 0.002 . 1 . . . . . . . . . 5836 1 468 . 1 1 90 90 ASN HD21 H 1 7.083 0.002 . 1 . . . . . . . . . 5836 1 469 . 1 1 90 90 ASN HD22 H 1 6.573 0.003 . 1 . . . . . . . . . 5836 1 470 . 1 1 91 91 ASN H H 1 9.067 0.001 . 1 . . . . . . . . . 5836 1 471 . 1 1 91 91 ASN HA H 1 4.653 0.001 . 1 . . . . . . . . . 5836 1 472 . 1 1 91 91 ASN HB2 H 1 2.735 0.020 . 1 . . . . . . . . . 5836 1 473 . 1 1 91 91 ASN HB3 H 1 2.296 0.001 . 1 . . . . . . . . . 5836 1 474 . 1 1 91 91 ASN HD21 H 1 7.106 0.003 . 1 . . . . . . . . . 5836 1 475 . 1 1 92 92 SER H H 1 7.916 0.001 . 1 . . . . . . . . . 5836 1 476 . 1 1 92 92 SER HA H 1 4.726 0.002 . 1 . . . . . . . . . 5836 1 477 . 1 1 92 92 SER HB2 H 1 4.170 0.003 . 2 . . . . . . . . . 5836 1 478 . 1 1 93 93 SER H H 1 8.560 0.002 . 1 . . . . . . . . . 5836 1 479 . 1 1 93 93 SER HA H 1 4.197 0.004 . 1 . . . . . . . . . 5836 1 480 . 1 1 93 93 SER HB2 H 1 4.003 0.008 . 1 . . . . . . . . . 5836 1 481 . 1 1 93 93 SER HB3 H 1 3.907 0.005 . 1 . . . . . . . . . 5836 1 482 . 1 1 94 94 GLU H H 1 8.458 0.002 . 1 . . . . . . . . . 5836 1 483 . 1 1 94 94 GLU HA H 1 4.511 0.003 . 1 . . . . . . . . . 5836 1 484 . 1 1 94 94 GLU HB2 H 1 2.247 0.001 . 1 . . . . . . . . . 5836 1 485 . 1 1 94 94 GLU HB3 H 1 2.217 0.004 . 1 . . . . . . . . . 5836 1 486 . 1 1 94 94 GLU HG2 H 1 2.022 0.001 . 1 . . . . . . . . . 5836 1 487 . 1 1 94 94 GLU HG3 H 1 1.837 0.020 . 1 . . . . . . . . . 5836 1 488 . 1 1 95 95 THR H H 1 8.656 0.004 . 1 . . . . . . . . . 5836 1 489 . 1 1 95 95 THR HA H 1 4.368 0.006 . 1 . . . . . . . . . 5836 1 490 . 1 1 95 95 THR HB H 1 3.988 0.001 . 1 . . . . . . . . . 5836 1 491 . 1 1 95 95 THR HG21 H 1 1.108 0.020 . 1 . . . . . . . . . 5836 1 492 . 1 1 95 95 THR HG22 H 1 1.108 0.020 . 1 . . . . . . . . . 5836 1 493 . 1 1 95 95 THR HG23 H 1 1.108 0.020 . 1 . . . . . . . . . 5836 1 494 . 1 1 96 96 SER H H 1 8.648 0.020 . 1 . . . . . . . . . 5836 1 495 . 1 1 96 96 SER HA H 1 4.906 0.002 . 1 . . . . . . . . . 5836 1 496 . 1 1 96 96 SER HB2 H 1 3.707 0.002 . 1 . . . . . . . . . 5836 1 497 . 1 1 96 96 SER HB3 H 1 3.562 0.003 . 1 . . . . . . . . . 5836 1 498 . 1 1 96 96 SER HG H 1 4.248 0.001 . 1 . . . . . . . . . 5836 1 499 . 1 1 97 97 ASN H H 1 8.622 0.001 . 1 . . . . . . . . . 5836 1 500 . 1 1 97 97 ASN HA H 1 5.287 0.002 . 1 . . . . . . . . . 5836 1 501 . 1 1 97 97 ASN HB2 H 1 2.839 0.002 . 1 . . . . . . . . . 5836 1 502 . 1 1 97 97 ASN HB3 H 1 2.606 0.003 . 1 . . . . . . . . . 5836 1 503 . 1 1 97 97 ASN HD21 H 1 7.524 0.001 . 1 . . . . . . . . . 5836 1 504 . 1 1 97 97 ASN HD22 H 1 6.607 0.001 . 1 . . . . . . . . . 5836 1 505 . 1 1 98 98 TYR H H 1 8.640 0.002 . 1 . . . . . . . . . 5836 1 506 . 1 1 98 98 TYR HA H 1 5.463 0.003 . 1 . . . . . . . . . 5836 1 507 . 1 1 98 98 TYR HB2 H 1 3.013 0.004 . 1 . . . . . . . . . 5836 1 508 . 1 1 98 98 TYR HB3 H 1 2.563 0.005 . 1 . . . . . . . . . 5836 1 509 . 1 1 98 98 TYR HD1 H 1 6.499 0.003 . 2 . . . . . . . . . 5836 1 510 . 1 1 98 98 TYR HE1 H 1 6.313 0.003 . 2 . . . . . . . . . 5836 1 511 . 1 1 99 99 SER H H 1 8.652 0.003 . 1 . . . . . . . . . 5836 1 512 . 1 1 99 99 SER HA H 1 5.133 0.004 . 1 . . . . . . . . . 5836 1 513 . 1 1 99 99 SER HB2 H 1 3.659 0.004 . 1 . . . . . . . . . 5836 1 514 . 1 1 99 99 SER HB3 H 1 3.551 0.005 . 1 . . . . . . . . . 5836 1 515 . 1 1 100 100 LEU H H 1 9.826 0.001 . 1 . . . . . . . . . 5836 1 516 . 1 1 100 100 LEU HA H 1 5.110 0.002 . 1 . . . . . . . . . 5836 1 517 . 1 1 100 100 LEU HB2 H 1 2.114 0.004 . 1 . . . . . . . . . 5836 1 518 . 1 1 100 100 LEU HB3 H 1 1.143 0.004 . 1 . . . . . . . . . 5836 1 519 . 1 1 100 100 LEU HD11 H 1 0.496 0.002 . 1 . . . . . . . . . 5836 1 520 . 1 1 100 100 LEU HD12 H 1 0.496 0.002 . 1 . . . . . . . . . 5836 1 521 . 1 1 100 100 LEU HD13 H 1 0.496 0.002 . 1 . . . . . . . . . 5836 1 522 . 1 1 100 100 LEU HD21 H 1 0.446 0.002 . 1 . . . . . . . . . 5836 1 523 . 1 1 100 100 LEU HD22 H 1 0.446 0.002 . 1 . . . . . . . . . 5836 1 524 . 1 1 100 100 LEU HD23 H 1 0.446 0.002 . 1 . . . . . . . . . 5836 1 525 . 1 1 100 100 LEU HG H 1 1.081 0.001 . 1 . . . . . . . . . 5836 1 526 . 1 1 101 101 ASP H H 1 8.494 0.002 . 1 . . . . . . . . . 5836 1 527 . 1 1 101 101 ASP HA H 1 5.617 0.004 . 1 . . . . . . . . . 5836 1 528 . 1 1 101 101 ASP HB2 H 1 2.685 0.004 . 1 . . . . . . . . . 5836 1 529 . 1 1 101 101 ASP HB3 H 1 2.391 0.001 . 1 . . . . . . . . . 5836 1 530 . 1 1 102 102 ALA H H 1 9.305 0.002 . 1 . . . . . . . . . 5836 1 531 . 1 1 102 102 ALA HA H 1 5.280 0.004 . 1 . . . . . . . . . 5836 1 532 . 1 1 102 102 ALA HB1 H 1 1.140 0.002 . 1 . . . . . . . . . 5836 1 533 . 1 1 102 102 ALA HB2 H 1 1.140 0.002 . 1 . . . . . . . . . 5836 1 534 . 1 1 102 102 ALA HB3 H 1 1.140 0.002 . 1 . . . . . . . . . 5836 1 535 . 1 1 103 103 THR H H 1 8.770 0.020 . 1 . . . . . . . . . 5836 1 536 . 1 1 103 103 THR HA H 1 4.863 0.020 . 1 . . . . . . . . . 5836 1 537 . 1 1 103 103 THR HB H 1 4.285 0.020 . 1 . . . . . . . . . 5836 1 538 . 1 1 103 103 THR HG21 H 1 1.332 0.003 . 1 . . . . . . . . . 5836 1 539 . 1 1 103 103 THR HG22 H 1 1.332 0.003 . 1 . . . . . . . . . 5836 1 540 . 1 1 103 103 THR HG23 H 1 1.332 0.003 . 1 . . . . . . . . . 5836 1 541 . 1 1 104 104 VAL HA H 1 4.879 0.002 . 1 . . . . . . . . . 5836 1 542 . 1 1 104 104 VAL HB H 1 2.500 0.001 . 1 . . . . . . . . . 5836 1 543 . 1 1 104 104 VAL HG11 H 1 1.184 0.004 . 1 . . . . . . . . . 5836 1 544 . 1 1 104 104 VAL HG12 H 1 1.184 0.004 . 1 . . . . . . . . . 5836 1 545 . 1 1 104 104 VAL HG13 H 1 1.184 0.004 . 1 . . . . . . . . . 5836 1 546 . 1 1 104 104 VAL HG21 H 1 0.869 0.004 . 1 . . . . . . . . . 5836 1 547 . 1 1 104 104 VAL HG22 H 1 0.869 0.004 . 1 . . . . . . . . . 5836 1 548 . 1 1 104 104 VAL HG23 H 1 0.869 0.004 . 1 . . . . . . . . . 5836 1 549 . 1 1 105 105 HIS H H 1 9.135 0.001 . 1 . . . . . . . . . 5836 1 550 . 1 1 105 105 HIS HA H 1 4.777 0.002 . 1 . . . . . . . . . 5836 1 551 . 1 1 105 105 HIS HB2 H 1 3.301 0.020 . 1 . . . . . . . . . 5836 1 552 . 1 1 105 105 HIS HB3 H 1 3.030 0.001 . 1 . . . . . . . . . 5836 1 553 . 1 1 105 105 HIS HD2 H 1 7.034 0.001 . 1 . . . . . . . . . 5836 1 554 . 1 1 105 105 HIS HE1 H 1 8.003 0.020 . 1 . . . . . . . . . 5836 1 555 . 1 1 106 106 ASP H H 1 8.011 0.001 . 1 . . . . . . . . . 5836 1 556 . 1 1 106 106 ASP HA H 1 4.752 0.003 . 1 . . . . . . . . . 5836 1 557 . 1 1 106 106 ASP HB2 H 1 2.765 0.001 . 1 . . . . . . . . . 5836 1 558 . 1 1 106 106 ASP HB3 H 1 2.510 0.001 . 1 . . . . . . . . . 5836 1 559 . 1 1 107 107 ASP H H 1 8.392 0.001 . 1 . . . . . . . . . 5836 1 560 . 1 1 107 107 ASP HA H 1 4.533 0.002 . 1 . . . . . . . . . 5836 1 561 . 1 1 107 107 ASP HB2 H 1 2.678 0.001 . 1 . . . . . . . . . 5836 1 562 . 1 1 107 107 ASP HB3 H 1 2.582 0.004 . 1 . . . . . . . . . 5836 1 563 . 1 1 108 108 LYS H H 1 8.536 0.001 . 1 . . . . . . . . . 5836 1 564 . 1 1 108 108 LYS HA H 1 4.346 0.001 . 1 . . . . . . . . . 5836 1 565 . 1 1 108 108 LYS HB2 H 1 1.680 0.020 . 1 . . . . . . . . . 5836 1 566 . 1 1 108 108 LYS HB3 H 1 1.610 0.020 . 1 . . . . . . . . . 5836 1 567 . 1 1 108 108 LYS HG2 H 1 1.265 0.001 . 2 . . . . . . . . . 5836 1 568 . 1 1 108 108 LYS HD2 H 1 1.198 0.020 . 2 . . . . . . . . . 5836 1 569 . 1 1 108 108 LYS HE2 H 1 2.805 0.001 . 1 . . . . . . . . . 5836 1 570 . 1 1 109 109 GLU H H 1 8.377 0.001 . 1 . . . . . . . . . 5836 1 571 . 1 1 109 109 GLU HA H 1 4.292 0.001 . 1 . . . . . . . . . 5836 1 572 . 1 1 109 109 GLU HB2 H 1 2.293 0.001 . 2 . . . . . . . . . 5836 1 573 . 1 1 109 109 GLU HG2 H 1 1.898 0.020 . 2 . . . . . . . . . 5836 1 574 . 1 1 112 112 ASP H H 1 8.140 0.001 . 1 . . . . . . . . . 5836 1 575 . 1 1 112 112 ASP HA H 1 4.510 0.005 . 1 . . . . . . . . . 5836 1 576 . 1 1 112 112 ASP HB2 H 1 3.022 0.020 . 2 . . . . . . . . . 5836 1 577 . 1 1 113 113 VAL H H 1 7.376 0.001 . 1 . . . . . . . . . 5836 1 578 . 1 1 113 113 VAL HA H 1 4.083 0.005 . 1 . . . . . . . . . 5836 1 579 . 1 1 113 113 VAL HB H 1 2.246 0.001 . 1 . . . . . . . . . 5836 1 580 . 1 1 113 113 VAL HG11 H 1 1.043 0.006 . 1 . . . . . . . . . 5836 1 581 . 1 1 113 113 VAL HG12 H 1 1.043 0.006 . 1 . . . . . . . . . 5836 1 582 . 1 1 113 113 VAL HG13 H 1 1.043 0.006 . 1 . . . . . . . . . 5836 1 583 . 1 1 113 113 VAL HG21 H 1 0.928 0.005 . 1 . . . . . . . . . 5836 1 584 . 1 1 113 113 VAL HG22 H 1 0.928 0.005 . 1 . . . . . . . . . 5836 1 585 . 1 1 113 113 VAL HG23 H 1 0.928 0.005 . 1 . . . . . . . . . 5836 1 586 . 1 1 115 115 THR H H 1 8.724 0.001 . 1 . . . . . . . . . 5836 1 587 . 1 1 115 115 THR HB H 1 4.170 0.020 . 1 . . . . . . . . . 5836 1 588 . 1 1 115 115 THR HG21 H 1 1.248 0.001 . 1 . . . . . . . . . 5836 1 589 . 1 1 115 115 THR HG22 H 1 1.248 0.001 . 1 . . . . . . . . . 5836 1 590 . 1 1 115 115 THR HG23 H 1 1.248 0.001 . 1 . . . . . . . . . 5836 1 591 . 1 1 116 116 LYS H H 1 7.369 0.001 . 1 . . . . . . . . . 5836 1 592 . 1 1 116 116 LYS HA H 1 4.478 0.020 . 1 . . . . . . . . . 5836 1 593 . 1 1 116 116 LYS HB2 H 1 1.733 0.001 . 2 . . . . . . . . . 5836 1 594 . 1 1 116 116 LYS HG2 H 1 1.249 0.020 . 2 . . . . . . . . . 5836 1 595 . 1 1 116 116 LYS HD2 H 1 1.357 0.020 . 2 . . . . . . . . . 5836 1 596 . 1 1 117 117 CYS H H 1 8.991 0.020 . 1 . . . . . . . . . 5836 1 597 . 1 1 117 117 CYS HA H 1 4.489 0.020 . 1 . . . . . . . . . 5836 1 598 . 1 1 117 117 CYS HB2 H 1 2.917 0.001 . 1 . . . . . . . . . 5836 1 599 . 1 1 117 117 CYS HB3 H 1 2.842 0.001 . 1 . . . . . . . . . 5836 1 600 . 1 1 118 118 PRO HB2 H 1 2.294 0.020 . 2 . . . . . . . . . 5836 1 601 . 1 1 118 118 PRO HG2 H 1 1.995 0.020 . 1 . . . . . . . . . 5836 1 602 . 1 1 118 118 PRO HG3 H 1 1.918 0.001 . 1 . . . . . . . . . 5836 1 603 . 1 1 118 118 PRO HD2 H 1 3.871 0.001 . 1 . . . . . . . . . 5836 1 604 . 1 1 118 118 PRO HD3 H 1 3.686 0.001 . 1 . . . . . . . . . 5836 1 605 . 1 1 119 119 VAL H H 1 6.864 0.001 . 1 . . . . . . . . . 5836 1 606 . 1 1 119 119 VAL HA H 1 3.942 0.020 . 1 . . . . . . . . . 5836 1 607 . 1 1 119 119 VAL HB H 1 2.046 0.001 . 1 . . . . . . . . . 5836 1 608 . 1 1 119 119 VAL HG11 H 1 0.845 0.006 . 1 . . . . . . . . . 5836 1 609 . 1 1 119 119 VAL HG12 H 1 0.845 0.006 . 1 . . . . . . . . . 5836 1 610 . 1 1 119 119 VAL HG13 H 1 0.845 0.006 . 1 . . . . . . . . . 5836 1 611 . 1 1 119 119 VAL HG21 H 1 0.744 0.004 . 1 . . . . . . . . . 5836 1 612 . 1 1 119 119 VAL HG22 H 1 0.744 0.004 . 1 . . . . . . . . . 5836 1 613 . 1 1 119 119 VAL HG23 H 1 0.744 0.004 . 1 . . . . . . . . . 5836 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 5836 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 DQF-COSY . . . 5836 2 2 '2D TOCSY' . . . 5836 2 3 '2D NOESY' . . . 5836 2 4 HNHA . . . 5836 2 5 HN(CO)CA . . . 5836 2 6 HNCA . . . 5836 2 7 CBCA(CO)NH . . . 5836 2 8 HNCACB . . . 5836 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 5 5 ASN H H 1 8.517 0.020 . 1 . . . . . . . . . 5836 2 2 . 1 1 5 5 ASN N N 15 117.532 0.020 . 1 . . . . . . . . . 5836 2 3 . 1 1 5 5 ASN CA C 13 50.796 0.020 . 1 . . . . . . . . . 5836 2 4 . 1 1 5 5 ASN CB C 13 36.797 0.020 . 1 . . . . . . . . . 5836 2 5 . 1 1 6 6 ILE H H 1 7.969 0.002 . 1 . . . . . . . . . 5836 2 6 . 1 1 6 6 ILE N N 15 119.920 0.020 . 1 . . . . . . . . . 5836 2 7 . 1 1 6 6 ILE CA C 13 57.355 0.020 . 1 . . . . . . . . . 5836 2 8 . 1 1 6 6 ILE CB C 13 36.860 0.020 . 1 . . . . . . . . . 5836 2 9 . 1 1 7 7 ALA H H 1 9.200 0.020 . 1 . . . . . . . . . 5836 2 10 . 1 1 7 7 ALA N N 15 131.156 0.020 . 1 . . . . . . . . . 5836 2 11 . 1 1 7 7 ALA CA C 13 48.007 0.064 . 1 . . . . . . . . . 5836 2 12 . 1 1 7 7 ALA CB C 13 20.738 0.036 . 1 . . . . . . . . . 5836 2 13 . 1 1 8 8 THR H H 1 8.180 0.020 . 1 . . . . . . . . . 5836 2 14 . 1 1 8 8 THR N N 15 115.141 0.020 . 1 . . . . . . . . . 5836 2 15 . 1 1 8 8 THR CA C 13 59.165 0.020 . 1 . . . . . . . . . 5836 2 16 . 1 1 8 8 THR CB C 13 68.764 0.020 . 1 . . . . . . . . . 5836 2 17 . 1 1 9 9 TYR H H 1 9.636 0.020 . 1 . . . . . . . . . 5836 2 18 . 1 1 9 9 TYR N N 15 128.337 0.020 . 1 . . . . . . . . . 5836 2 19 . 1 1 9 9 TYR CA C 13 54.744 0.023 . 1 . . . . . . . . . 5836 2 20 . 1 1 9 9 TYR CB C 13 37.944 0.015 . 1 . . . . . . . . . 5836 2 21 . 1 1 10 10 THR H H 1 8.663 0.020 . 1 . . . . . . . . . 5836 2 22 . 1 1 10 10 THR N N 15 114.423 0.020 . 1 . . . . . . . . . 5836 2 23 . 1 1 10 10 THR CA C 13 57.068 0.159 . 1 . . . . . . . . . 5836 2 24 . 1 1 10 10 THR CB C 13 69.311 0.050 . 1 . . . . . . . . . 5836 2 25 . 1 1 11 11 GLY H H 1 7.112 0.020 . 1 . . . . . . . . . 5836 2 26 . 1 1 11 11 GLY N N 15 108.925 0.020 . 1 . . . . . . . . . 5836 2 27 . 1 1 11 11 GLY CA C 13 43.368 0.039 . 1 . . . . . . . . . 5836 2 28 . 1 1 12 12 THR H H 1 8.455 0.020 . 1 . . . . . . . . . 5836 2 29 . 1 1 12 12 THR N N 15 114.689 0.037 . 1 . . . . . . . . . 5836 2 30 . 1 1 12 12 THR CA C 13 58.820 0.014 . 1 . . . . . . . . . 5836 2 31 . 1 1 12 12 THR CB C 13 69.392 0.020 . 1 . . . . . . . . . 5836 2 32 . 1 1 13 13 ILE H H 1 9.304 0.020 . 1 . . . . . . . . . 5836 2 33 . 1 1 13 13 ILE N N 15 123.983 0.020 . 1 . . . . . . . . . 5836 2 34 . 1 1 13 13 ILE CA C 13 56.850 0.038 . 1 . . . . . . . . . 5836 2 35 . 1 1 13 13 ILE CB C 13 39.493 0.017 . 1 . . . . . . . . . 5836 2 36 . 1 1 14 14 GLN H H 1 8.804 0.020 . 1 . . . . . . . . . 5836 2 37 . 1 1 14 14 GLN N N 15 125.524 0.020 . 1 . . . . . . . . . 5836 2 38 . 1 1 14 14 GLN CA C 13 53.319 0.032 . 1 . . . . . . . . . 5836 2 39 . 1 1 14 14 GLN CB C 13 27.183 0.020 . 1 . . . . . . . . . 5836 2 40 . 1 1 15 15 GLY H H 1 8.585 0.020 . 1 . . . . . . . . . 5836 2 41 . 1 1 15 15 GLY N N 15 111.316 0.020 . 1 . . . . . . . . . 5836 2 42 . 1 1 15 15 GLY CA C 13 44.598 0.020 . 1 . . . . . . . . . 5836 2 43 . 1 1 16 16 LYS H H 1 8.481 0.020 . 1 . . . . . . . . . 5836 2 44 . 1 1 16 16 LYS N N 15 118.963 0.002 . 1 . . . . . . . . . 5836 2 45 . 1 1 16 16 LYS CA C 13 54.745 0.024 . 1 . . . . . . . . . 5836 2 46 . 1 1 16 16 LYS CB C 13 26.723 0.099 . 1 . . . . . . . . . 5836 2 47 . 1 1 17 17 GLY H H 1 8.269 0.020 . 1 . . . . . . . . . 5836 2 48 . 1 1 17 17 GLY N N 15 106.774 0.020 . 1 . . . . . . . . . 5836 2 49 . 1 1 17 17 GLY CA C 13 42.174 0.020 . 1 . . . . . . . . . 5836 2 50 . 1 1 18 18 GLU H H 1 8.153 0.020 . 1 . . . . . . . . . 5836 2 51 . 1 1 18 18 GLU N N 15 113.707 0.020 . 1 . . . . . . . . . 5836 2 52 . 1 1 18 18 GLU CA C 13 51.798 0.020 . 1 . . . . . . . . . 5836 2 53 . 1 1 18 18 GLU CB C 13 31.035 0.020 . 1 . . . . . . . . . 5836 2 54 . 1 1 19 19 VAL H H 1 8.916 0.020 . 1 . . . . . . . . . 5836 2 55 . 1 1 19 19 VAL N N 15 122.711 0.020 . 1 . . . . . . . . . 5836 2 56 . 1 1 19 19 VAL CA C 13 58.918 0.020 . 1 . . . . . . . . . 5836 2 57 . 1 1 19 19 VAL CB C 13 33.950 0.020 . 1 . . . . . . . . . 5836 2 58 . 1 1 24 24 ASN H H 1 7.788 0.020 . 1 . . . . . . . . . 5836 2 59 . 1 1 24 24 ASN N N 15 122.073 0.020 . 1 . . . . . . . . . 5836 2 60 . 1 1 24 24 ASN CA C 13 52.299 0.020 . 1 . . . . . . . . . 5836 2 61 . 1 1 24 24 ASN CB C 13 39.041 0.020 . 1 . . . . . . . . . 5836 2 62 . 1 1 25 25 LYS H H 1 8.601 0.020 . 1 . . . . . . . . . 5836 2 63 . 1 1 25 25 LYS N N 15 121.773 0.020 . 1 . . . . . . . . . 5836 2 64 . 1 1 25 25 LYS CA C 13 54.591 0.020 . 1 . . . . . . . . . 5836 2 65 . 1 1 25 25 LYS CB C 13 31.007 0.020 . 1 . . . . . . . . . 5836 2 66 . 1 1 26 26 GLU H H 1 8.439 0.020 . 1 . . . . . . . . . 5836 2 67 . 1 1 26 26 GLU N N 15 122.476 0.020 . 1 . . . . . . . . . 5836 2 68 . 1 1 26 26 GLU CA C 13 53.015 0.020 . 1 . . . . . . . . . 5836 2 69 . 1 1 26 26 GLU CB C 13 31.171 0.020 . 1 . . . . . . . . . 5836 2 70 . 1 1 31 31 GLY H H 1 7.875 0.020 . 1 . . . . . . . . . 5836 2 71 . 1 1 31 31 GLY N N 15 109.881 0.020 . 1 . . . . . . . . . 5836 2 72 . 1 1 31 31 GLY CA C 13 41.965 0.020 . 1 . . . . . . . . . 5836 2 73 . 1 1 32 32 GLY H H 1 8.108 0.020 . 1 . . . . . . . . . 5836 2 74 . 1 1 32 32 GLY N N 15 107.474 0.020 . 1 . . . . . . . . . 5836 2 75 . 1 1 32 32 GLY CA C 13 42.328 0.020 . 1 . . . . . . . . . 5836 2 76 . 1 1 33 33 GLU H H 1 8.430 0.020 . 1 . . . . . . . . . 5836 2 77 . 1 1 33 33 GLU N N 15 120.639 0.020 . 1 . . . . . . . . . 5836 2 78 . 1 1 33 33 GLU CA C 13 53.894 0.020 . 1 . . . . . . . . . 5836 2 79 . 1 1 33 33 GLU CB C 13 29.094 0.020 . 1 . . . . . . . . . 5836 2 80 . 1 1 36 36 ALA H H 1 8.070 0.002 . 1 . . . . . . . . . 5836 2 81 . 1 1 36 36 ALA N N 15 126.696 0.020 . 1 . . . . . . . . . 5836 2 82 . 1 1 36 36 ALA CA C 13 48.873 0.052 . 1 . . . . . . . . . 5836 2 83 . 1 1 36 36 ALA CB C 13 19.020 0.078 . 1 . . . . . . . . . 5836 2 84 . 1 1 37 37 VAL H H 1 8.401 0.020 . 1 . . . . . . . . . 5836 2 85 . 1 1 37 37 VAL N N 15 113.944 0.020 . 1 . . . . . . . . . 5836 2 86 . 1 1 37 37 VAL CA C 13 58.646 0.002 . 1 . . . . . . . . . 5836 2 87 . 1 1 37 37 VAL CB C 13 31.998 0.016 . 1 . . . . . . . . . 5836 2 88 . 1 1 38 38 LEU H H 1 8.437 0.020 . 1 . . . . . . . . . 5836 2 89 . 1 1 38 38 LEU N N 15 129.746 0.020 . 1 . . . . . . . . . 5836 2 90 . 1 1 38 38 LEU CA C 13 50.812 0.020 . 1 . . . . . . . . . 5836 2 91 . 1 1 38 38 LEU CB C 13 43.617 0.020 . 1 . . . . . . . . . 5836 2 92 . 1 1 39 39 HIS H H 1 9.322 0.020 . 1 . . . . . . . . . 5836 2 93 . 1 1 39 39 HIS N N 15 122.008 0.020 . 1 . . . . . . . . . 5836 2 94 . 1 1 39 39 HIS CA C 13 50.662 0.020 . 1 . . . . . . . . . 5836 2 95 . 1 1 39 39 HIS CB C 13 30.152 0.020 . 1 . . . . . . . . . 5836 2 96 . 1 1 40 40 SER H H 1 9.192 0.020 . 1 . . . . . . . . . 5836 2 97 . 1 1 40 40 SER N N 15 111.794 0.020 . 1 . . . . . . . . . 5836 2 98 . 1 1 40 40 SER CA C 13 55.603 0.037 . 1 . . . . . . . . . 5836 2 99 . 1 1 40 40 SER CB C 13 63.392 0.059 . 1 . . . . . . . . . 5836 2 100 . 1 1 41 41 THR H H 1 8.207 0.020 . 1 . . . . . . . . . 5836 2 101 . 1 1 41 41 THR N N 15 115.209 0.020 . 1 . . . . . . . . . 5836 2 102 . 1 1 41 41 THR CA C 13 60.502 0.004 . 1 . . . . . . . . . 5836 2 103 . 1 1 41 41 THR CB C 13 66.386 0.008 . 1 . . . . . . . . . 5836 2 104 . 1 1 42 42 ASN H H 1 8.645 0.020 . 1 . . . . . . . . . 5836 2 105 . 1 1 42 42 ASN N N 15 121.595 0.020 . 1 . . . . . . . . . 5836 2 106 . 1 1 42 42 ASN CA C 13 50.702 0.007 . 1 . . . . . . . . . 5836 2 107 . 1 1 42 42 ASN CB C 13 35.825 0.006 . 1 . . . . . . . . . 5836 2 108 . 1 1 42 42 ASN ND2 N 15 111.338 0.020 . 1 . . . . . . . . . 5836 2 109 . 1 1 42 42 ASN HD21 H 1 7.525 0.020 . 1 . . . . . . . . . 5836 2 110 . 1 1 42 42 ASN HD22 H 1 7.072 0.020 . 1 . . . . . . . . . 5836 2 111 . 1 1 43 43 VAL H H 1 8.724 0.020 . 1 . . . . . . . . . 5836 2 112 . 1 1 43 43 VAL N N 15 124.940 0.020 . 1 . . . . . . . . . 5836 2 113 . 1 1 43 43 VAL CA C 13 61.909 0.007 . 1 . . . . . . . . . 5836 2 114 . 1 1 43 43 VAL CB C 13 29.088 0.071 . 1 . . . . . . . . . 5836 2 115 . 1 1 44 44 ASN H H 1 8.327 0.020 . 1 . . . . . . . . . 5836 2 116 . 1 1 44 44 ASN N N 15 117.532 0.020 . 1 . . . . . . . . . 5836 2 117 . 1 1 44 44 ASN CA C 13 50.327 0.020 . 1 . . . . . . . . . 5836 2 118 . 1 1 44 44 ASN CB C 13 36.009 0.020 . 1 . . . . . . . . . 5836 2 119 . 1 1 44 44 ASN ND2 N 15 113.400 0.020 . 1 . . . . . . . . . 5836 2 120 . 1 1 44 44 ASN HD21 H 1 7.771 0.020 . 1 . . . . . . . . . 5836 2 121 . 1 1 44 44 ASN HD22 H 1 6.975 0.020 . 1 . . . . . . . . . 5836 2 122 . 1 1 45 45 ALA H H 1 7.403 0.020 . 1 . . . . . . . . . 5836 2 123 . 1 1 45 45 ALA N N 15 122.008 0.020 . 1 . . . . . . . . . 5836 2 124 . 1 1 45 45 ALA CA C 13 50.702 0.020 . 1 . . . . . . . . . 5836 2 125 . 1 1 45 45 ALA CB C 13 17.486 0.020 . 1 . . . . . . . . . 5836 2 126 . 1 1 46 46 ASP H H 1 9.155 0.020 . 1 . . . . . . . . . 5836 2 127 . 1 1 46 46 ASP N N 15 121.304 0.020 . 1 . . . . . . . . . 5836 2 128 . 1 1 46 46 ASP CA C 13 51.295 0.186 . 1 . . . . . . . . . 5836 2 129 . 1 1 46 46 ASP CB C 13 38.045 1.341 . 1 . . . . . . . . . 5836 2 130 . 1 1 47 47 MET H H 1 7.315 0.002 . 1 . . . . . . . . . 5836 2 131 . 1 1 47 47 MET N N 15 118.022 0.020 . 1 . . . . . . . . . 5836 2 132 . 1 1 47 47 MET CA C 13 51.923 0.020 . 1 . . . . . . . . . 5836 2 133 . 1 1 47 47 MET CB C 13 37.685 0.020 . 1 . . . . . . . . . 5836 2 134 . 1 1 48 48 THR H H 1 8.891 0.020 . 1 . . . . . . . . . 5836 2 135 . 1 1 48 48 THR N N 15 116.813 0.020 . 1 . . . . . . . . . 5836 2 136 . 1 1 48 48 THR CA C 13 59.648 0.020 . 1 . . . . . . . . . 5836 2 137 . 1 1 48 48 THR CB C 13 70.518 0.020 . 1 . . . . . . . . . 5836 2 138 . 1 1 49 49 LEU H H 1 9.122 0.020 . 1 . . . . . . . . . 5836 2 139 . 1 1 49 49 LEU N N 15 127.634 0.020 . 1 . . . . . . . . . 5836 2 140 . 1 1 49 49 LEU CA C 13 50.983 0.020 . 1 . . . . . . . . . 5836 2 141 . 1 1 49 49 LEU CB C 13 42.102 0.020 . 1 . . . . . . . . . 5836 2 142 . 1 1 50 50 ILE H H 1 9.963 0.020 . 1 . . . . . . . . . 5836 2 143 . 1 1 50 50 ILE N N 15 127.399 0.020 . 1 . . . . . . . . . 5836 2 144 . 1 1 50 50 ILE CA C 13 58.400 0.020 . 1 . . . . . . . . . 5836 2 145 . 1 1 50 50 ILE CB C 13 39.706 0.020 . 1 . . . . . . . . . 5836 2 146 . 1 1 51 51 LEU H H 1 8.793 0.020 . 1 . . . . . . . . . 5836 2 147 . 1 1 51 51 LEU N N 15 127.399 0.020 . 1 . . . . . . . . . 5836 2 148 . 1 1 51 51 LEU CA C 13 51.393 0.020 . 1 . . . . . . . . . 5836 2 149 . 1 1 51 51 LEU CB C 13 41.067 0.020 . 1 . . . . . . . . . 5836 2 150 . 1 1 52 52 LEU H H 1 9.566 0.020 . 1 . . . . . . . . . 5836 2 151 . 1 1 52 52 LEU N N 15 126.696 0.020 . 1 . . . . . . . . . 5836 2 152 . 1 1 52 52 LEU CA C 13 51.012 0.020 . 1 . . . . . . . . . 5836 2 153 . 1 1 52 52 LEU CB C 13 43.226 0.020 . 1 . . . . . . . . . 5836 2 154 . 1 1 53 53 ARG H H 1 9.001 0.020 . 1 . . . . . . . . . 5836 2 155 . 1 1 53 53 ARG N N 15 119.663 0.020 . 1 . . . . . . . . . 5836 2 156 . 1 1 53 53 ARG CA C 13 51.767 0.020 . 1 . . . . . . . . . 5836 2 157 . 1 1 53 53 ARG CB C 13 33.243 0.020 . 1 . . . . . . . . . 5836 2 158 . 1 1 56 56 GLY H H 1 8.593 0.020 . 1 . . . . . . . . . 5836 2 159 . 1 1 56 56 GLY N N 15 114.663 0.020 . 1 . . . . . . . . . 5836 2 160 . 1 1 56 56 GLY CA C 13 43.774 0.020 . 1 . . . . . . . . . 5836 2 161 . 1 1 57 57 GLY H H 1 7.897 0.020 . 1 . . . . . . . . . 5836 2 162 . 1 1 57 57 GLY N N 15 108.177 0.020 . 1 . . . . . . . . . 5836 2 163 . 1 1 57 57 GLY CA C 13 43.578 0.020 . 1 . . . . . . . . . 5836 2 164 . 1 1 58 58 ASN H H 1 7.974 0.020 . 1 . . . . . . . . . 5836 2 165 . 1 1 58 58 ASN N N 15 118.248 0.020 . 1 . . . . . . . . . 5836 2 166 . 1 1 58 58 ASN CA C 13 51.984 0.020 . 1 . . . . . . . . . 5836 2 167 . 1 1 58 58 ASN ND2 N 15 112.710 0.010 . 1 . . . . . . . . . 5836 2 168 . 1 1 58 58 ASN HD21 H 1 7.490 0.020 . 1 . . . . . . . . . 5836 2 169 . 1 1 58 58 ASN HD22 H 1 6.897 0.020 . 1 . . . . . . . . . 5836 2 170 . 1 1 59 59 GLY H H 1 7.783 0.020 . 1 . . . . . . . . . 5836 2 171 . 1 1 59 59 GLY N N 15 107.731 0.020 . 1 . . . . . . . . . 5836 2 172 . 1 1 59 59 GLY CA C 13 42.445 0.020 . 1 . . . . . . . . . 5836 2 173 . 1 1 60 60 TRP H H 1 8.222 0.020 . 1 . . . . . . . . . 5836 2 174 . 1 1 60 60 TRP N N 15 121.117 0.020 . 1 . . . . . . . . . 5836 2 175 . 1 1 60 60 TRP CA C 13 54.852 0.020 . 1 . . . . . . . . . 5836 2 176 . 1 1 60 60 TRP CB C 13 29.141 0.020 . 1 . . . . . . . . . 5836 2 177 . 1 1 61 61 GLY H H 1 8.733 0.020 . 1 . . . . . . . . . 5836 2 178 . 1 1 61 61 GLY N N 15 107.971 0.020 . 1 . . . . . . . . . 5836 2 179 . 1 1 61 61 GLY CA C 13 42.079 0.020 . 1 . . . . . . . . . 5836 2 180 . 1 1 62 62 GLU H H 1 8.813 0.020 . 1 . . . . . . . . . 5836 2 181 . 1 1 62 62 GLU N N 15 123.180 0.020 . 1 . . . . . . . . . 5836 2 182 . 1 1 62 62 GLU CA C 13 54.655 0.056 . 1 . . . . . . . . . 5836 2 183 . 1 1 62 62 GLU CB C 13 27.375 0.056 . 1 . . . . . . . . . 5836 2 184 . 1 1 63 63 ILE H H 1 9.200 0.020 . 1 . . . . . . . . . 5836 2 185 . 1 1 63 63 ILE N N 15 124.462 0.020 . 1 . . . . . . . . . 5836 2 186 . 1 1 63 63 ILE CA C 13 56.932 0.020 . 1 . . . . . . . . . 5836 2 187 . 1 1 63 63 ILE CB C 13 37.374 0.020 . 1 . . . . . . . . . 5836 2 188 . 1 1 64 64 LYS H H 1 7.518 0.020 . 1 . . . . . . . . . 5836 2 189 . 1 1 64 64 LYS N N 15 118.486 0.020 . 1 . . . . . . . . . 5836 2 190 . 1 1 64 64 LYS CA C 13 53.410 0.020 . 1 . . . . . . . . . 5836 2 191 . 1 1 64 64 LYS CB C 13 34.138 0.020 . 1 . . . . . . . . . 5836 2 192 . 1 1 65 65 ARG H H 1 8.301 0.001 . 1 . . . . . . . . . 5836 2 193 . 1 1 65 65 ARG N N 15 117.319 0.020 . 1 . . . . . . . . . 5836 2 194 . 1 1 65 65 ARG CA C 13 52.696 0.020 . 1 . . . . . . . . . 5836 2 195 . 1 1 65 65 ARG CB C 13 32.503 0.020 . 1 . . . . . . . . . 5836 2 196 . 1 1 66 66 ASN H H 1 9.838 0.020 . 1 . . . . . . . . . 5836 2 197 . 1 1 66 66 ASN N N 15 119.442 0.020 . 1 . . . . . . . . . 5836 2 198 . 1 1 66 66 ASN CA C 13 49.298 0.020 . 1 . . . . . . . . . 5836 2 199 . 1 1 66 66 ASN CB C 13 40.745 0.020 . 1 . . . . . . . . . 5836 2 200 . 1 1 66 66 ASN ND2 N 15 110.079 0.018 . 1 . . . . . . . . . 5836 2 201 . 1 1 66 66 ASN HD21 H 1 6.721 0.020 . 1 . . . . . . . . . 5836 2 202 . 1 1 66 66 ASN HD22 H 1 6.673 0.020 . 1 . . . . . . . . . 5836 2 203 . 1 1 67 67 ASP H H 1 8.091 0.020 . 1 . . . . . . . . . 5836 2 204 . 1 1 67 67 ASP N N 15 116.832 0.018 . 1 . . . . . . . . . 5836 2 205 . 1 1 67 67 ASP CA C 13 51.098 0.020 . 1 . . . . . . . . . 5836 2 206 . 1 1 67 67 ASP CB C 13 40.280 0.020 . 1 . . . . . . . . . 5836 2 207 . 1 1 68 68 ILE H H 1 7.865 0.020 . 1 . . . . . . . . . 5836 2 208 . 1 1 68 68 ILE N N 15 118.486 0.020 . 1 . . . . . . . . . 5836 2 209 . 1 1 68 68 ILE CA C 13 61.427 0.014 . 1 . . . . . . . . . 5836 2 210 . 1 1 68 68 ILE CB C 13 36.935 0.156 . 1 . . . . . . . . . 5836 2 211 . 1 1 69 69 ASP H H 1 9.123 0.020 . 1 . . . . . . . . . 5836 2 212 . 1 1 69 69 ASP N N 15 118.008 0.020 . 1 . . . . . . . . . 5836 2 213 . 1 1 69 69 ASP CA C 13 54.964 0.020 . 1 . . . . . . . . . 5836 2 214 . 1 1 70 70 LYS H H 1 7.670 0.020 . 1 . . . . . . . . . 5836 2 215 . 1 1 70 70 LYS N N 15 120.398 0.020 . 1 . . . . . . . . . 5836 2 216 . 1 1 70 70 LYS CA C 13 50.459 0.003 . 1 . . . . . . . . . 5836 2 217 . 1 1 70 70 LYS CB C 13 30.392 0.101 . 1 . . . . . . . . . 5836 2 218 . 1 1 72 72 LEU H H 1 9.345 0.020 . 1 . . . . . . . . . 5836 2 219 . 1 1 72 72 LEU N N 15 128.806 0.020 . 1 . . . . . . . . . 5836 2 220 . 1 1 72 72 LEU CA C 13 52.933 0.020 . 1 . . . . . . . . . 5836 2 221 . 1 1 72 72 LEU CB C 13 42.550 0.020 . 1 . . . . . . . . . 5836 2 222 . 1 1 73 73 LYS H H 1 8.262 0.020 . 1 . . . . . . . . . 5836 2 223 . 1 1 73 73 LYS N N 15 123.180 0.020 . 1 . . . . . . . . . 5836 2 224 . 1 1 73 73 LYS CA C 13 52.274 0.020 . 1 . . . . . . . . . 5836 2 225 . 1 1 73 73 LYS CB C 13 33.407 0.020 . 1 . . . . . . . . . 5836 2 226 . 1 1 74 74 TYR H H 1 8.918 0.020 . 1 . . . . . . . . . 5836 2 227 . 1 1 74 74 TYR N N 15 125.055 0.020 . 1 . . . . . . . . . 5836 2 228 . 1 1 74 74 TYR CA C 13 55.724 0.020 . 1 . . . . . . . . . 5836 2 229 . 1 1 74 74 TYR CB C 13 40.433 0.020 . 1 . . . . . . . . . 5836 2 230 . 1 1 81 81 GLY H H 1 8.590 0.020 . 1 . . . . . . . . . 5836 2 231 . 1 1 81 81 GLY N N 15 109.818 0.020 . 1 . . . . . . . . . 5836 2 232 . 1 1 81 81 GLY CA C 13 43.507 0.020 . 1 . . . . . . . . . 5836 2 233 . 1 1 86 86 TRP H H 1 9.255 0.020 . 1 . . . . . . . . . 5836 2 234 . 1 1 86 86 TRP N N 15 126.136 0.020 . 1 . . . . . . . . . 5836 2 235 . 1 1 86 86 TRP CA C 13 52.216 0.020 . 1 . . . . . . . . . 5836 2 236 . 1 1 86 86 TRP CB C 13 28.061 0.020 . 1 . . . . . . . . . 5836 2 237 . 1 1 87 87 LYS H H 1 10.037 0.020 . 1 . . . . . . . . . 5836 2 238 . 1 1 87 87 LYS N N 15 126.930 0.020 . 1 . . . . . . . . . 5836 2 239 . 1 1 87 87 LYS CA C 13 51.923 0.020 . 1 . . . . . . . . . 5836 2 240 . 1 1 87 87 LYS CB C 13 32.706 0.020 . 1 . . . . . . . . . 5836 2 241 . 1 1 88 88 ILE H H 1 9.429 0.020 . 1 . . . . . . . . . 5836 2 242 . 1 1 88 88 ILE N N 15 127.634 0.020 . 1 . . . . . . . . . 5836 2 243 . 1 1 88 88 ILE CA C 13 57.997 0.020 . 1 . . . . . . . . . 5836 2 244 . 1 1 88 88 ILE CB C 13 37.261 0.020 . 1 . . . . . . . . . 5836 2 245 . 1 1 89 89 LYS H H 1 8.950 0.020 . 1 . . . . . . . . . 5836 2 246 . 1 1 89 89 LYS N N 15 125.524 0.020 . 1 . . . . . . . . . 5836 2 247 . 1 1 89 89 LYS CA C 13 51.531 0.020 . 1 . . . . . . . . . 5836 2 248 . 1 1 89 89 LYS CB C 13 33.473 0.020 . 1 . . . . . . . . . 5836 2 249 . 1 1 90 90 ASN H H 1 8.884 0.020 . 1 . . . . . . . . . 5836 2 250 . 1 1 90 90 ASN N N 15 121.539 0.020 . 1 . . . . . . . . . 5836 2 251 . 1 1 90 90 ASN CA C 13 49.378 0.000 . 1 . . . . . . . . . 5836 2 252 . 1 1 90 90 ASN ND2 N 15 110.556 0.009 . 1 . . . . . . . . . 5836 2 253 . 1 1 90 90 ASN HD21 H 1 7.153 0.020 . 1 . . . . . . . . . 5836 2 254 . 1 1 90 90 ASN HD22 H 1 6.648 0.020 . 1 . . . . . . . . . 5836 2 255 . 1 1 91 91 ASN H H 1 9.123 0.020 . 1 . . . . . . . . . 5836 2 256 . 1 1 91 91 ASN N N 15 122.549 0.020 . 1 . . . . . . . . . 5836 2 257 . 1 1 91 91 ASN CA C 13 51.489 0.020 . 1 . . . . . . . . . 5836 2 258 . 1 1 91 91 ASN CB C 13 36.391 0.020 . 1 . . . . . . . . . 5836 2 259 . 1 1 91 91 ASN ND2 N 15 114.072 0.020 . 1 . . . . . . . . . 5836 2 260 . 1 1 91 91 ASN HD21 H 1 7.176 0.020 . 1 . . . . . . . . . 5836 2 261 . 1 1 91 91 ASN HD22 H 1 7.176 0.020 . 1 . . . . . . . . . 5836 2 262 . 1 1 92 92 SER H H 1 7.969 0.020 . 1 . . . . . . . . . 5836 2 263 . 1 1 92 92 SER N N 15 114.741 0.020 . 1 . . . . . . . . . 5836 2 264 . 1 1 92 92 SER CA C 13 54.185 0.049 . 1 . . . . . . . . . 5836 2 265 . 1 1 92 92 SER CB C 13 62.410 0.013 . 1 . . . . . . . . . 5836 2 266 . 1 1 93 93 SER H H 1 8.614 0.020 . 1 . . . . . . . . . 5836 2 267 . 1 1 93 93 SER N N 15 117.085 0.020 . 1 . . . . . . . . . 5836 2 268 . 1 1 93 93 SER CA C 13 57.668 0.059 . 1 . . . . . . . . . 5836 2 269 . 1 1 93 93 SER CB C 13 60.986 0.049 . 1 . . . . . . . . . 5836 2 270 . 1 1 94 94 GLU H H 1 8.518 0.020 . 1 . . . . . . . . . 5836 2 271 . 1 1 94 94 GLU N N 15 121.595 0.020 . 1 . . . . . . . . . 5836 2 272 . 1 1 94 94 GLU CA C 13 52.790 0.087 . 1 . . . . . . . . . 5836 2 273 . 1 1 94 94 GLU CB C 13 28.673 0.071 . 1 . . . . . . . . . 5836 2 274 . 1 1 95 95 THR H H 1 8.722 0.020 . 1 . . . . . . . . . 5836 2 275 . 1 1 95 95 THR N N 15 122.242 0.020 . 1 . . . . . . . . . 5836 2 276 . 1 1 95 95 THR CA C 13 61.256 0.020 . 1 . . . . . . . . . 5836 2 277 . 1 1 95 95 THR CB C 13 66.887 0.020 . 1 . . . . . . . . . 5836 2 278 . 1 1 96 96 SER H H 1 8.705 0.020 . 1 . . . . . . . . . 5836 2 279 . 1 1 96 96 SER N N 15 119.663 0.020 . 1 . . . . . . . . . 5836 2 280 . 1 1 96 96 SER CA C 13 54.464 0.020 . 1 . . . . . . . . . 5836 2 281 . 1 1 96 96 SER CB C 13 65.110 0.020 . 1 . . . . . . . . . 5836 2 282 . 1 1 97 97 ASN H H 1 8.677 0.020 . 1 . . . . . . . . . 5836 2 283 . 1 1 97 97 ASN N N 15 122.549 0.020 . 1 . . . . . . . . . 5836 2 284 . 1 1 97 97 ASN CA C 13 51.276 0.020 . 1 . . . . . . . . . 5836 2 285 . 1 1 97 97 ASN CB C 13 38.381 0.020 . 1 . . . . . . . . . 5836 2 286 . 1 1 97 97 ASN ND2 N 15 113.363 0.020 . 1 . . . . . . . . . 5836 2 287 . 1 1 98 98 TYR H H 1 8.709 0.002 . 1 . . . . . . . . . 5836 2 288 . 1 1 98 98 TYR N N 15 119.663 0.020 . 1 . . . . . . . . . 5836 2 289 . 1 1 98 98 TYR CA C 13 54.703 0.020 . 1 . . . . . . . . . 5836 2 290 . 1 1 98 98 TYR CB C 13 40.766 0.020 . 1 . . . . . . . . . 5836 2 291 . 1 1 99 99 SER H H 1 8.717 0.003 . 1 . . . . . . . . . 5836 2 292 . 1 1 99 99 SER N N 15 114.741 0.020 . 1 . . . . . . . . . 5836 2 293 . 1 1 99 99 SER CA C 13 55.079 0.020 . 1 . . . . . . . . . 5836 2 294 . 1 1 99 99 SER CB C 13 62.859 0.020 . 1 . . . . . . . . . 5836 2 295 . 1 1 100 100 LEU H H 1 9.882 0.020 . 1 . . . . . . . . . 5836 2 296 . 1 1 100 100 LEU N N 15 128.103 0.020 . 1 . . . . . . . . . 5836 2 297 . 1 1 100 100 LEU CA C 13 50.840 0.020 . 1 . . . . . . . . . 5836 2 298 . 1 1 100 100 LEU CB C 13 43.908 0.020 . 1 . . . . . . . . . 5836 2 299 . 1 1 101 101 ASP H H 1 8.550 0.020 . 1 . . . . . . . . . 5836 2 300 . 1 1 101 101 ASP N N 15 128.806 0.020 . 1 . . . . . . . . . 5836 2 301 . 1 1 101 101 ASP CA C 13 50.612 0.020 . 1 . . . . . . . . . 5836 2 302 . 1 1 101 101 ASP CB C 13 39.104 0.020 . 1 . . . . . . . . . 5836 2 303 . 1 1 102 102 ALA H H 1 9.355 0.020 . 1 . . . . . . . . . 5836 2 304 . 1 1 102 102 ALA N N 15 123.883 0.020 . 1 . . . . . . . . . 5836 2 305 . 1 1 102 102 ALA CA C 13 48.473 0.020 . 1 . . . . . . . . . 5836 2 306 . 1 1 102 102 ALA CB C 13 20.338 0.020 . 1 . . . . . . . . . 5836 2 307 . 1 1 103 103 THR H H 1 8.823 0.020 . 1 . . . . . . . . . 5836 2 308 . 1 1 103 103 THR N N 15 114.037 0.020 . 1 . . . . . . . . . 5836 2 309 . 1 1 103 103 THR CA C 13 60.199 0.020 . 1 . . . . . . . . . 5836 2 310 . 1 1 106 106 ASP H H 1 8.073 0.020 . 1 . . . . . . . . . 5836 2 311 . 1 1 106 106 ASP N N 15 119.195 0.020 . 1 . . . . . . . . . 5836 2 312 . 1 1 106 106 ASP CA C 13 51.674 0.020 . 1 . . . . . . . . . 5836 2 313 . 1 1 106 106 ASP CB C 13 41.455 0.020 . 1 . . . . . . . . . 5836 2 314 . 1 1 107 107 ASP H H 1 8.453 0.020 . 1 . . . . . . . . . 5836 2 315 . 1 1 107 107 ASP N N 15 118.491 0.020 . 1 . . . . . . . . . 5836 2 316 . 1 1 107 107 ASP CA C 13 52.316 0.020 . 1 . . . . . . . . . 5836 2 317 . 1 1 107 107 ASP CB C 13 39.210 0.020 . 1 . . . . . . . . . 5836 2 318 . 1 1 108 108 LYS H H 1 8.324 0.020 . 1 . . . . . . . . . 5836 2 319 . 1 1 108 108 LYS N N 15 120.835 0.020 . 1 . . . . . . . . . 5836 2 320 . 1 1 108 108 LYS CA C 13 53.986 0.020 . 1 . . . . . . . . . 5836 2 321 . 1 1 108 108 LYS CB C 13 30.722 0.020 . 1 . . . . . . . . . 5836 2 322 . 1 1 109 109 GLU H H 1 8.038 0.020 . 1 . . . . . . . . . 5836 2 323 . 1 1 109 109 GLU N N 15 126.696 0.020 . 1 . . . . . . . . . 5836 2 324 . 1 1 109 109 GLU CA C 13 55.835 0.020 . 1 . . . . . . . . . 5836 2 325 . 1 1 109 109 GLU CB C 13 28.667 0.020 . 1 . . . . . . . . . 5836 2 326 . 1 1 112 112 ASP H H 1 8.188 0.020 . 1 . . . . . . . . . 5836 2 327 . 1 1 112 112 ASP N N 15 122.242 0.020 . 1 . . . . . . . . . 5836 2 328 . 1 1 112 112 ASP CA C 13 53.316 0.020 . 1 . . . . . . . . . 5836 2 329 . 1 1 112 112 ASP CB C 13 38.507 0.020 . 1 . . . . . . . . . 5836 2 330 . 1 1 113 113 VAL H H 1 7.414 0.001 . 1 . . . . . . . . . 5836 2 331 . 1 1 113 113 VAL N N 15 116.576 0.020 . 1 . . . . . . . . . 5836 2 332 . 1 1 113 113 VAL CA C 13 60.393 0.020 . 1 . . . . . . . . . 5836 2 333 . 1 1 113 113 VAL CB C 13 28.694 0.020 . 1 . . . . . . . . . 5836 2 334 . 1 1 116 116 LYS H H 1 8.584 0.020 . 1 . . . . . . . . . 5836 2 335 . 1 1 116 116 LYS N N 15 122.789 0.020 . 1 . . . . . . . . . 5836 2 336 . 1 1 116 116 LYS CA C 13 53.371 0.020 . 1 . . . . . . . . . 5836 2 337 . 1 1 116 116 LYS CB C 13 29.155 0.020 . 1 . . . . . . . . . 5836 2 338 . 1 1 119 119 VAL H H 1 6.921 0.020 . 1 . . . . . . . . . 5836 2 339 . 1 1 119 119 VAL N N 15 118.726 0.020 . 1 . . . . . . . . . 5836 2 340 . 1 1 119 119 VAL CA C 13 59.545 0.020 . 1 . . . . . . . . . 5836 2 341 . 1 1 119 119 VAL CB C 13 31.628 0.020 . 1 . . . . . . . . . 5836 2 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_1 _Coupling_constant_list.Entry_ID 5836 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $Condition_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 4 HNHA 1 $sample_1 . 5836 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_asym_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_asym_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 5 5 ASN H H 1 . . 1 1 5 5 ASN HA H 1 . 8.4 . . . . . . . . . . . . . . . . 5836 1 2 3JHNHA . 1 1 7 7 ALA H H 1 . . 1 1 7 7 ALA HA H 1 . 6.4 . . . . . . . . . . . . . . . . 5836 1 3 3JHNHA . 1 1 9 9 TYR H H 1 . . 1 1 9 9 TYR HA H 1 . 7.6 . . . . . . . . . . . . . . . . 5836 1 4 3JHNHA . 1 1 18 18 GLU H H 1 . . 1 1 18 18 GLU HA H 1 . 9.0 . . . . . . . . . . . . . . . . 5836 1 5 3JHNHA . 1 1 24 24 ASN H H 1 . . 1 1 24 24 ASN HA H 1 . 9.6 . . . . . . . . . . . . . . . . 5836 1 6 3JHNHA . 1 1 39 39 HIS H H 1 . . 1 1 39 39 HIS HA H 1 . 9.3 . . . . . . . . . . . . . . . . 5836 1 7 3JHNHA . 1 1 40 40 SER H H 1 . . 1 1 40 40 SER HA H 1 . 6.7 . . . . . . . . . . . . . . . . 5836 1 8 3JHNHA . 1 1 42 42 ASN H H 1 . . 1 1 42 42 ASN HA H 1 . 7.7 . . . . . . . . . . . . . . . . 5836 1 9 3JHNHA . 1 1 43 43 VAL H H 1 . . 1 1 43 43 VAL HA H 1 . 3.3 . . . . . . . . . . . . . . . . 5836 1 10 3JHNHA . 1 1 45 45 ALA H H 1 . . 1 1 45 45 ALA HA H 1 . 3.3 . . . . . . . . . . . . . . . . 5836 1 11 3JHNHA . 1 1 47 47 MET H H 1 . . 1 1 47 47 MET HA H 1 . 7.5 . . . . . . . . . . . . . . . . 5836 1 12 3JHNHA . 1 1 48 48 THR H H 1 . . 1 1 48 48 THR HA H 1 . 8.3 . . . . . . . . . . . . . . . . 5836 1 13 3JHNHA . 1 1 49 49 LEU H H 1 . . 1 1 49 49 LEU HA H 1 . 8.7 . . . . . . . . . . . . . . . . 5836 1 14 3JHNHA . 1 1 51 51 LEU H H 1 . . 1 1 51 51 LEU HA H 1 . 9.3 . . . . . . . . . . . . . . . . 5836 1 15 3JHNHA . 1 1 62 62 GLU H H 1 . . 1 1 62 62 GLU HA H 1 . 3.7 . . . . . . . . . . . . . . . . 5836 1 16 3JHNHA . 1 1 64 64 LYS H H 1 . . 1 1 64 64 LYS HA H 1 . 5.0 . . . . . . . . . . . . . . . . 5836 1 17 3JHNHA . 1 1 66 66 ASN H H 1 . . 1 1 66 66 ASN HA H 1 . 6.1 . . . . . . . . . . . . . . . . 5836 1 18 3JHNHA . 1 1 67 67 ASP H H 1 . . 1 1 67 67 ASP HA H 1 . 6.3 . . . . . . . . . . . . . . . . 5836 1 19 3JHNHA . 1 1 68 68 ILE H H 1 . . 1 1 68 68 ILE HA H 1 . 8.0 . . . . . . . . . . . . . . . . 5836 1 20 3JHNHA . 1 1 69 69 ASP H H 1 . . 1 1 69 69 ASP HA H 1 . 7.6 . . . . . . . . . . . . . . . . 5836 1 21 3JHNHA . 1 1 70 70 LYS H H 1 . . 1 1 70 70 LYS HA H 1 . 9.9 . . . . . . . . . . . . . . . . 5836 1 22 3JHNHA . 1 1 72 72 LEU H H 1 . . 1 1 72 72 LEU HA H 1 . 8.7 . . . . . . . . . . . . . . . . 5836 1 23 3JHNHA . 1 1 73 73 LYS H H 1 . . 1 1 73 73 LYS HA H 1 . 7.9 . . . . . . . . . . . . . . . . 5836 1 24 3JHNHA . 1 1 92 92 SER H H 1 . . 1 1 92 92 SER HA H 1 . 7.9 . . . . . . . . . . . . . . . . 5836 1 25 3JHNHA . 1 1 94 94 GLU H H 1 . . 1 1 94 94 GLU HA H 1 . 8.4 . . . . . . . . . . . . . . . . 5836 1 26 3JHNHA . 1 1 100 100 LEU H H 1 . . 1 1 100 100 LEU HA H 1 . 7.4 . . . . . . . . . . . . . . . . 5836 1 27 3JHNHA . 1 1 101 101 ASP H H 1 . . 1 1 101 101 ASP HA H 1 . 9.1 . . . . . . . . . . . . . . . . 5836 1 28 3JHNHA . 1 1 119 119 VAL H H 1 . . 1 1 119 119 VAL HA H 1 . 6.3 . . . . . . . . . . . . . . . . 5836 1 stop_ save_