data_6058 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6058 _Entry.Title ; 1H, 13C and 15N Assignments for the Hypothetical Archaeglobus fulgidis protein AF2095. Northeast Structural Genomics Consortium target GR4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-12-29 _Entry.Accession_date 2004-01-02 _Entry.Last_release_date 2004-10-01 _Entry.Original_release_date 2004-10-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Robert Powers . . . 6058 2 Tom Acton . . . 6058 3 Janet Huang . Y. . 6058 4 Jinfeng Liu . . . 6058 5 Lichung Ma . . . 6058 6 Gaetano Montelione . T. . 6058 7 Burkard Rost . . . 6058 8 Rong Xiao . . . 6058 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6058 coupling_constants 1 6058 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 832 6058 '13C chemical shifts' 495 6058 '15N chemical shifts' 111 6058 'coupling constants' 70 6058 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 . . 2004-10-01 2003-12-29 original author . 6058 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6058 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15452442 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N Assignments for the Archaeglobus fulgidis protein AF2095. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 1 _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 107 _Citation.Page_last 108 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Robert Powers . . . 6058 1 2 Tom Acton . B. . 6058 1 3 Yiwen Chiang . . . 6058 1 4 P. Rajan . K. . 6058 1 5 John Cort . R. . 6058 1 6 Michael Kennedy . A. . 6058 1 7 Jinfeng Liu . . . 6058 1 8 Lichung Ma . . . 6058 1 9 Burkard Rost . . . 6058 1 10 Gaetano Montelione . T. . 6058 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_GR4 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_GR4 _Assembly.Entry_ID 6058 _Assembly.ID 1 _Assembly.Name 'Hypothetical Archaeglobus fulgidis protein AF2095' _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 'not present' _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 6058 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 'GR4 monomer' 1 $GR4 . . . native . . . . . 6058 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Hypothetical Archaeglobus fulgidis protein AF2095' system 6058 1 GR4 abbreviation 6058 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GR4 _Entity.Sf_category entity _Entity.Sf_framecode GR4 _Entity.Entry_ID 6058 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Hypothetical Archaeglobus fulgidis protein AF2095' _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 ; MTLKQVIVVRDDLKLSRGKL AVQVAHAAIIGYLKSDSSLR RKWLDEGQKKVVLKVKSLEE LLGIKHKAESLGLVTGLVQD AGLTEVPPGTITAVVIGPDE ERKIDKVTGNLPLLKLEHHH HHH ; _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 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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 'Hex His Tag (C-terminal)' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1RZW . "The Solution Structure Of The Archaeglobus Fulgidis Protein Af2095. Northeast Structural Genomics Consortium Target Gr4" . . . . . 100.00 123 100.00 100.00 2.05e-78 . . . . 6058 1 2 no PDB 3ERJ . "Crystal Structure Of The Peptidyl-Trna Hydrolase Af2095 From Archaeglobus Fulgidis. Northeast Structural Genomics Consortium Ta" . . . . . 100.00 123 100.00 100.00 2.05e-78 . . . . 6058 1 3 no GB AAB89160 . "conserved hypothetical protein [Archaeoglobus fulgidus DSM 4304]" . . . . . 93.50 115 100.00 100.00 9.50e-72 . . . . 6058 1 4 no GB AIG99082 . "peptidyl-tRNA hydrolase [Archaeoglobus fulgidus DSM 8774]" . . . . . 93.50 115 100.00 100.00 9.50e-72 . . . . 6058 1 5 no REF NP_070920 . "peptidyl-tRNA hydrolase [Archaeoglobus fulgidus DSM 4304]" . . . . . 93.50 115 100.00 100.00 9.50e-72 . . . . 6058 1 6 no REF WP_010879586 . "peptidyl-tRNA hydrolase [Archaeoglobus fulgidus]" . . . . . 93.50 115 100.00 100.00 9.50e-72 . . . . 6058 1 7 no SP O28185 . "RecName: Full=Peptidyl-tRNA hydrolase; Short=PTH [Archaeoglobus fulgidus DSM 4304]" . . . . . 93.50 115 100.00 100.00 9.50e-72 . . . . 6058 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Hypothetical Archaeglobus fulgidis protein AF2095' common 6058 1 GR4 abbreviation 6058 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6058 1 2 . THR . 6058 1 3 . LEU . 6058 1 4 . LYS . 6058 1 5 . GLN . 6058 1 6 . VAL . 6058 1 7 . ILE . 6058 1 8 . VAL . 6058 1 9 . VAL . 6058 1 10 . ARG . 6058 1 11 . ASP . 6058 1 12 . ASP . 6058 1 13 . LEU . 6058 1 14 . LYS . 6058 1 15 . LEU . 6058 1 16 . SER . 6058 1 17 . ARG . 6058 1 18 . GLY . 6058 1 19 . LYS . 6058 1 20 . LEU . 6058 1 21 . ALA . 6058 1 22 . VAL . 6058 1 23 . GLN . 6058 1 24 . VAL . 6058 1 25 . ALA . 6058 1 26 . HIS . 6058 1 27 . ALA . 6058 1 28 . ALA . 6058 1 29 . ILE . 6058 1 30 . ILE . 6058 1 31 . GLY . 6058 1 32 . TYR . 6058 1 33 . LEU . 6058 1 34 . LYS . 6058 1 35 . SER . 6058 1 36 . ASP . 6058 1 37 . SER . 6058 1 38 . SER . 6058 1 39 . LEU . 6058 1 40 . ARG . 6058 1 41 . ARG . 6058 1 42 . LYS . 6058 1 43 . TRP . 6058 1 44 . LEU . 6058 1 45 . ASP . 6058 1 46 . GLU . 6058 1 47 . GLY . 6058 1 48 . GLN . 6058 1 49 . LYS . 6058 1 50 . LYS . 6058 1 51 . VAL . 6058 1 52 . VAL . 6058 1 53 . LEU . 6058 1 54 . LYS . 6058 1 55 . VAL . 6058 1 56 . LYS . 6058 1 57 . SER . 6058 1 58 . LEU . 6058 1 59 . GLU . 6058 1 60 . GLU . 6058 1 61 . LEU . 6058 1 62 . LEU . 6058 1 63 . GLY . 6058 1 64 . ILE . 6058 1 65 . LYS . 6058 1 66 . HIS . 6058 1 67 . LYS . 6058 1 68 . ALA . 6058 1 69 . GLU . 6058 1 70 . SER . 6058 1 71 . LEU . 6058 1 72 . GLY . 6058 1 73 . LEU . 6058 1 74 . VAL . 6058 1 75 . THR . 6058 1 76 . GLY . 6058 1 77 . LEU . 6058 1 78 . VAL . 6058 1 79 . GLN . 6058 1 80 . ASP . 6058 1 81 . ALA . 6058 1 82 . GLY . 6058 1 83 . LEU . 6058 1 84 . THR . 6058 1 85 . GLU . 6058 1 86 . VAL . 6058 1 87 . PRO . 6058 1 88 . PRO . 6058 1 89 . GLY . 6058 1 90 . THR . 6058 1 91 . ILE . 6058 1 92 . THR . 6058 1 93 . ALA . 6058 1 94 . VAL . 6058 1 95 . VAL . 6058 1 96 . ILE . 6058 1 97 . GLY . 6058 1 98 . PRO . 6058 1 99 . ASP . 6058 1 100 . GLU . 6058 1 101 . GLU . 6058 1 102 . ARG . 6058 1 103 . LYS . 6058 1 104 . ILE . 6058 1 105 . ASP . 6058 1 106 . LYS . 6058 1 107 . VAL . 6058 1 108 . THR . 6058 1 109 . GLY . 6058 1 110 . ASN . 6058 1 111 . LEU . 6058 1 112 . PRO . 6058 1 113 . LEU . 6058 1 114 . LEU . 6058 1 115 . LYS . 6058 1 116 . LEU . 6058 1 117 . GLU . 6058 1 118 . HIS . 6058 1 119 . HIS . 6058 1 120 . HIS . 6058 1 121 . HIS . 6058 1 122 . HIS . 6058 1 123 . HIS . 6058 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6058 1 . THR 2 2 6058 1 . LEU 3 3 6058 1 . LYS 4 4 6058 1 . GLN 5 5 6058 1 . VAL 6 6 6058 1 . ILE 7 7 6058 1 . VAL 8 8 6058 1 . VAL 9 9 6058 1 . ARG 10 10 6058 1 . ASP 11 11 6058 1 . ASP 12 12 6058 1 . LEU 13 13 6058 1 . LYS 14 14 6058 1 . LEU 15 15 6058 1 . SER 16 16 6058 1 . ARG 17 17 6058 1 . GLY 18 18 6058 1 . LYS 19 19 6058 1 . LEU 20 20 6058 1 . ALA 21 21 6058 1 . VAL 22 22 6058 1 . GLN 23 23 6058 1 . VAL 24 24 6058 1 . ALA 25 25 6058 1 . HIS 26 26 6058 1 . ALA 27 27 6058 1 . ALA 28 28 6058 1 . ILE 29 29 6058 1 . ILE 30 30 6058 1 . GLY 31 31 6058 1 . TYR 32 32 6058 1 . LEU 33 33 6058 1 . LYS 34 34 6058 1 . SER 35 35 6058 1 . ASP 36 36 6058 1 . SER 37 37 6058 1 . SER 38 38 6058 1 . LEU 39 39 6058 1 . ARG 40 40 6058 1 . ARG 41 41 6058 1 . LYS 42 42 6058 1 . TRP 43 43 6058 1 . LEU 44 44 6058 1 . ASP 45 45 6058 1 . GLU 46 46 6058 1 . GLY 47 47 6058 1 . GLN 48 48 6058 1 . LYS 49 49 6058 1 . LYS 50 50 6058 1 . VAL 51 51 6058 1 . VAL 52 52 6058 1 . LEU 53 53 6058 1 . LYS 54 54 6058 1 . VAL 55 55 6058 1 . LYS 56 56 6058 1 . SER 57 57 6058 1 . LEU 58 58 6058 1 . GLU 59 59 6058 1 . GLU 60 60 6058 1 . LEU 61 61 6058 1 . LEU 62 62 6058 1 . GLY 63 63 6058 1 . ILE 64 64 6058 1 . LYS 65 65 6058 1 . HIS 66 66 6058 1 . LYS 67 67 6058 1 . ALA 68 68 6058 1 . GLU 69 69 6058 1 . SER 70 70 6058 1 . LEU 71 71 6058 1 . GLY 72 72 6058 1 . LEU 73 73 6058 1 . VAL 74 74 6058 1 . THR 75 75 6058 1 . GLY 76 76 6058 1 . LEU 77 77 6058 1 . VAL 78 78 6058 1 . GLN 79 79 6058 1 . ASP 80 80 6058 1 . ALA 81 81 6058 1 . GLY 82 82 6058 1 . LEU 83 83 6058 1 . THR 84 84 6058 1 . GLU 85 85 6058 1 . VAL 86 86 6058 1 . PRO 87 87 6058 1 . PRO 88 88 6058 1 . GLY 89 89 6058 1 . THR 90 90 6058 1 . ILE 91 91 6058 1 . THR 92 92 6058 1 . ALA 93 93 6058 1 . VAL 94 94 6058 1 . VAL 95 95 6058 1 . ILE 96 96 6058 1 . GLY 97 97 6058 1 . PRO 98 98 6058 1 . ASP 99 99 6058 1 . GLU 100 100 6058 1 . GLU 101 101 6058 1 . ARG 102 102 6058 1 . LYS 103 103 6058 1 . ILE 104 104 6058 1 . ASP 105 105 6058 1 . LYS 106 106 6058 1 . VAL 107 107 6058 1 . THR 108 108 6058 1 . GLY 109 109 6058 1 . ASN 110 110 6058 1 . LEU 111 111 6058 1 . PRO 112 112 6058 1 . LEU 113 113 6058 1 . LEU 114 114 6058 1 . LYS 115 115 6058 1 . LEU 116 116 6058 1 . GLU 117 117 6058 1 . HIS 118 118 6058 1 . HIS 119 119 6058 1 . HIS 120 120 6058 1 . HIS 121 121 6058 1 . HIS 122 122 6058 1 . HIS 123 123 6058 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 6058 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $GR4 . 2234 . . 'Archaeoglobus fulgidus' 'Archaeoglobus fulgidus' . . Archaea . Archaeoglobus fulgidus . . . . . . . . . . . . . . . . . . . . . 6058 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 6058 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $GR4 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6058 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6058 _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 'Hypothetical Archaeglobus fulgidis protein AF2095' '[U-99% 13C; U-99% 15N]' . . 1 $GR4 . . 1.0 . . mM . . . . 6058 1 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 6058 _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 pH 6.5 0.1 na 6058 1 temperature 313 0.5 K 6058 1 pressure 1 . atm 6058 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 6058 _Software.ID 1 _Software.Name AutoAssign _Software.Version 1.11.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated assignment' 6058 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 6058 _Software.ID 2 _Software.Name PIPP _Software.Version 4.3.5 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6058 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6058 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6058 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6058 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6058 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6058 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6058 _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_1 Bruker AVANCE . 500 . . . 6058 1 2 NMR_spectrometer_2 Bruker AVANCE . 600 . . . 6058 1 3 NMR_spectrometer_3 Bruker AVANCE . 750 . . . 6058 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 6058 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6058 1 2 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6058 1 3 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6058 1 4 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6058 1 5 'N15-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6058 1 6 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6058 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6058 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6058 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6058 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6058 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6058 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 'N15-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6058 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6058 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 6058 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6058 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6058 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 6058 _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 HNCA 1 $sample_1 . 6058 1 2 HNHA 1 $sample_1 . 6058 1 3 CBCACONH 1 $sample_1 . 6058 1 4 CBCANH 1 $sample_1 . 6058 1 5 'N15-edited NOESY' 1 $sample_1 . 6058 1 6 HNCO 1 $sample_1 . 6058 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR CA C 13 61.70 0.1 . 1 . . . . . . . . 6058 1 2 . 1 1 2 2 THR HA H 1 4.15 0.01 . 1 . . . . . . . . 6058 1 3 . 1 1 2 2 THR C C 13 179.70 0.1 . 1 . . . . . . . . 6058 1 4 . 1 1 2 2 THR CB C 13 69.30 0.1 . 1 . . . . . . . . 6058 1 5 . 1 1 2 2 THR HB H 1 4.20 0.01 . 1 . . . . . . . . 6058 1 6 . 1 1 2 2 THR CG2 C 13 21.50 0.1 . 1 . . . . . . . . 6058 1 7 . 1 1 2 2 THR HG21 H 1 1.33 0.01 . 1 . . . . . . . . 6058 1 8 . 1 1 2 2 THR HG22 H 1 1.33 0.01 . 1 . . . . . . . . 6058 1 9 . 1 1 2 2 THR HG23 H 1 1.33 0.01 . 1 . . . . . . . . 6058 1 10 . 1 1 3 3 LEU H H 1 9.39 0.01 . 1 . . . . . . . . 6058 1 11 . 1 1 3 3 LEU N N 15 126.50 0.1 . 1 . . . . . . . . 6058 1 12 . 1 1 3 3 LEU CA C 13 54.20 0.1 . 1 . . . . . . . . 6058 1 13 . 1 1 3 3 LEU HA H 1 4.93 0.01 . 1 . . . . . . . . 6058 1 14 . 1 1 3 3 LEU C C 13 173.90 0.1 . 1 . . . . . . . . 6058 1 15 . 1 1 3 3 LEU CB C 13 44.70 0.1 . 1 . . . . . . . . 6058 1 16 . 1 1 3 3 LEU CG C 13 27.30 0.1 . 1 . . . . . . . . 6058 1 17 . 1 1 3 3 LEU CD1 C 13 27.10 0.1 . 2 . . . . . . . . 6058 1 18 . 1 1 3 3 LEU CD2 C 13 23.50 0.1 . 2 . . . . . . . . 6058 1 19 . 1 1 3 3 LEU HD11 H 1 0.88 0.01 . 2 . . . . . . . . 6058 1 20 . 1 1 3 3 LEU HD12 H 1 0.88 0.01 . 2 . . . . . . . . 6058 1 21 . 1 1 3 3 LEU HD13 H 1 0.88 0.01 . 2 . . . . . . . . 6058 1 22 . 1 1 3 3 LEU HD21 H 1 0.69 0.01 . 2 . . . . . . . . 6058 1 23 . 1 1 3 3 LEU HD22 H 1 0.69 0.01 . 2 . . . . . . . . 6058 1 24 . 1 1 3 3 LEU HD23 H 1 0.69 0.01 . 2 . . . . . . . . 6058 1 25 . 1 1 3 3 LEU HG H 1 1.83 0.01 . 1 . . . . . . . . 6058 1 26 . 1 1 3 3 LEU HB2 H 1 1.04 0.01 . 2 . . . . . . . . 6058 1 27 . 1 1 3 3 LEU HB3 H 1 1.94 0.01 . 2 . . . . . . . . 6058 1 28 . 1 1 4 4 LYS H H 1 8.95 0.01 . 1 . . . . . . . . 6058 1 29 . 1 1 4 4 LYS N N 15 117.10 0.1 . 1 . . . . . . . . 6058 1 30 . 1 1 4 4 LYS CA C 13 55.50 0.1 . 1 . . . . . . . . 6058 1 31 . 1 1 4 4 LYS HA H 1 4.91 0.01 . 1 . . . . . . . . 6058 1 32 . 1 1 4 4 LYS C C 13 178.70 0.1 . 1 . . . . . . . . 6058 1 33 . 1 1 4 4 LYS CB C 13 37.20 0.1 . 1 . . . . . . . . 6058 1 34 . 1 1 4 4 LYS CG C 13 24.10 0.1 . 1 . . . . . . . . 6058 1 35 . 1 1 4 4 LYS CD C 13 30.00 0.1 . 1 . . . . . . . . 6058 1 36 . 1 1 4 4 LYS CE C 13 41.10 0.1 . 1 . . . . . . . . 6058 1 37 . 1 1 4 4 LYS HB2 H 1 1.72 0.01 . 2 . . . . . . . . 6058 1 38 . 1 1 4 4 LYS HB3 H 1 1.56 0.01 . 2 . . . . . . . . 6058 1 39 . 1 1 4 4 LYS HG2 H 1 1.17 0.01 . 2 . . . . . . . . 6058 1 40 . 1 1 4 4 LYS HG3 H 1 1.06 0.01 . 2 . . . . . . . . 6058 1 41 . 1 1 4 4 LYS HD2 H 1 1.57 0.01 . 1 . . . . . . . . 6058 1 42 . 1 1 4 4 LYS HD3 H 1 1.57 0.01 . 1 . . . . . . . . 6058 1 43 . 1 1 4 4 LYS HE2 H 1 2.63 0.01 . 1 . . . . . . . . 6058 1 44 . 1 1 4 4 LYS HE3 H 1 2.63 0.01 . 1 . . . . . . . . 6058 1 45 . 1 1 5 5 GLN H H 1 8.42 0.01 . 1 . . . . . . . . 6058 1 46 . 1 1 5 5 GLN N N 15 123.10 0.1 . 1 . . . . . . . . 6058 1 47 . 1 1 5 5 GLN CA C 13 54.40 0.1 . 1 . . . . . . . . 6058 1 48 . 1 1 5 5 GLN HA H 1 4.68 0.01 . 1 . . . . . . . . 6058 1 49 . 1 1 5 5 GLN C C 13 176.40 0.1 . 1 . . . . . . . . 6058 1 50 . 1 1 5 5 GLN CB C 13 35.10 0.1 . 1 . . . . . . . . 6058 1 51 . 1 1 5 5 GLN CG C 13 35.50 0.1 . 1 . . . . . . . . 6058 1 52 . 1 1 5 5 GLN NE2 N 15 107.00 0.1 . 1 . . . . . . . . 6058 1 53 . 1 1 5 5 GLN HE21 H 1 7.36 0.01 . 2 . . . . . . . . 6058 1 54 . 1 1 5 5 GLN HE22 H 1 5.29 0.01 . 2 . . . . . . . . 6058 1 55 . 1 1 5 5 GLN HB2 H 1 1.82 0.01 . 2 . . . . . . . . 6058 1 56 . 1 1 5 5 GLN HB3 H 1 1.73 0.01 . 2 . . . . . . . . 6058 1 57 . 1 1 5 5 GLN HG2 H 1 1.58 0.01 . 1 . . . . . . . . 6058 1 58 . 1 1 5 5 GLN HG3 H 1 1.58 0.01 . 1 . . . . . . . . 6058 1 59 . 1 1 6 6 VAL H H 1 8.80 0.01 . 1 . . . . . . . . 6058 1 60 . 1 1 6 6 VAL N N 15 125.80 0.1 . 1 . . . . . . . . 6058 1 61 . 1 1 6 6 VAL CA C 13 60.60 0.1 . 1 . . . . . . . . 6058 1 62 . 1 1 6 6 VAL HA H 1 4.92 0.01 . 1 . . . . . . . . 6058 1 63 . 1 1 6 6 VAL C C 13 176.90 0.1 . 1 . . . . . . . . 6058 1 64 . 1 1 6 6 VAL CB C 13 34.70 0.1 . 1 . . . . . . . . 6058 1 65 . 1 1 6 6 VAL HB H 1 1.70 0.01 . 1 . . . . . . . . 6058 1 66 . 1 1 6 6 VAL CG1 C 13 21.50 0.1 . 2 . . . . . . . . 6058 1 67 . 1 1 6 6 VAL CG2 C 13 22.20 0.1 . 2 . . . . . . . . 6058 1 68 . 1 1 6 6 VAL HG11 H 1 0.73 0.01 . 2 . . . . . . . . 6058 1 69 . 1 1 6 6 VAL HG12 H 1 0.73 0.01 . 2 . . . . . . . . 6058 1 70 . 1 1 6 6 VAL HG13 H 1 0.73 0.01 . 2 . . . . . . . . 6058 1 71 . 1 1 6 6 VAL HG21 H 1 0.82 0.01 . 2 . . . . . . . . 6058 1 72 . 1 1 6 6 VAL HG22 H 1 0.82 0.01 . 2 . . . . . . . . 6058 1 73 . 1 1 6 6 VAL HG23 H 1 0.82 0.01 . 2 . . . . . . . . 6058 1 74 . 1 1 7 7 ILE H H 1 8.94 0.01 . 1 . . . . . . . . 6058 1 75 . 1 1 7 7 ILE N N 15 128.00 0.1 . 1 . . . . . . . . 6058 1 76 . 1 1 7 7 ILE CA C 13 60.90 0.1 . 1 . . . . . . . . 6058 1 77 . 1 1 7 7 ILE HA H 1 4.79 0.01 . 1 . . . . . . . . 6058 1 78 . 1 1 7 7 ILE C C 13 176.90 0.1 . 1 . . . . . . . . 6058 1 79 . 1 1 7 7 ILE CB C 13 40.70 0.1 . 1 . . . . . . . . 6058 1 80 . 1 1 7 7 ILE HB H 1 1.67 0.01 . 1 . . . . . . . . 6058 1 81 . 1 1 7 7 ILE CG2 C 13 20.90 0.1 . 1 . . . . . . . . 6058 1 82 . 1 1 7 7 ILE HG21 H 1 0.73 0.01 . 1 . . . . . . . . 6058 1 83 . 1 1 7 7 ILE HG22 H 1 0.73 0.01 . 1 . . . . . . . . 6058 1 84 . 1 1 7 7 ILE HG23 H 1 0.73 0.01 . 1 . . . . . . . . 6058 1 85 . 1 1 7 7 ILE CG1 C 13 30.30 0.1 . 1 . . . . . . . . 6058 1 86 . 1 1 7 7 ILE CD1 C 13 15.00 0.1 . 1 . . . . . . . . 6058 1 87 . 1 1 7 7 ILE HD11 H 1 0.83 0.01 . 1 . . . . . . . . 6058 1 88 . 1 1 7 7 ILE HD12 H 1 0.83 0.01 . 1 . . . . . . . . 6058 1 89 . 1 1 7 7 ILE HD13 H 1 0.83 0.01 . 1 . . . . . . . . 6058 1 90 . 1 1 7 7 ILE HG12 H 1 1.32 0.01 . 2 . . . . . . . . 6058 1 91 . 1 1 7 7 ILE HG13 H 1 1.13 0.01 . 2 . . . . . . . . 6058 1 92 . 1 1 8 8 VAL H H 1 9.16 0.01 . 1 . . . . . . . . 6058 1 93 . 1 1 8 8 VAL N N 15 127.50 0.1 . 1 . . . . . . . . 6058 1 94 . 1 1 8 8 VAL CA C 13 60.10 0.1 . 1 . . . . . . . . 6058 1 95 . 1 1 8 8 VAL HA H 1 4.68 0.01 . 1 . . . . . . . . 6058 1 96 . 1 1 8 8 VAL C C 13 175.40 0.1 . 1 . . . . . . . . 6058 1 97 . 1 1 8 8 VAL CB C 13 32.30 0.1 . 1 . . . . . . . . 6058 1 98 . 1 1 8 8 VAL HB H 1 1.92 0.01 . 1 . . . . . . . . 6058 1 99 . 1 1 8 8 VAL CG1 C 13 20.90 0.1 . 2 . . . . . . . . 6058 1 100 . 1 1 8 8 VAL CG2 C 13 23.80 0.1 . 2 . . . . . . . . 6058 1 101 . 1 1 8 8 VAL HG11 H 1 0.68 0.01 . 2 . . . . . . . . 6058 1 102 . 1 1 8 8 VAL HG12 H 1 0.68 0.01 . 2 . . . . . . . . 6058 1 103 . 1 1 8 8 VAL HG13 H 1 0.68 0.01 . 2 . . . . . . . . 6058 1 104 . 1 1 8 8 VAL HG21 H 1 0.76 0.01 . 2 . . . . . . . . 6058 1 105 . 1 1 8 8 VAL HG22 H 1 0.76 0.01 . 2 . . . . . . . . 6058 1 106 . 1 1 8 8 VAL HG23 H 1 0.76 0.01 . 2 . . . . . . . . 6058 1 107 . 1 1 9 9 VAL H H 1 8.79 0.01 . 1 . . . . . . . . 6058 1 108 . 1 1 9 9 VAL N N 15 119.70 0.1 . 1 . . . . . . . . 6058 1 109 . 1 1 9 9 VAL CA C 13 59.00 0.1 . 1 . . . . . . . . 6058 1 110 . 1 1 9 9 VAL HA H 1 4.94 0.01 . 1 . . . . . . . . 6058 1 111 . 1 1 9 9 VAL C C 13 175.30 0.1 . 1 . . . . . . . . 6058 1 112 . 1 1 9 9 VAL CB C 13 34.40 0.1 . 1 . . . . . . . . 6058 1 113 . 1 1 9 9 VAL HB H 1 2.10 0.01 . 1 . . . . . . . . 6058 1 114 . 1 1 9 9 VAL CG1 C 13 19.20 0.1 . 2 . . . . . . . . 6058 1 115 . 1 1 9 9 VAL CG2 C 13 21.20 0.1 . 2 . . . . . . . . 6058 1 116 . 1 1 9 9 VAL HG11 H 1 0.78 0.01 . 2 . . . . . . . . 6058 1 117 . 1 1 9 9 VAL HG12 H 1 0.78 0.01 . 2 . . . . . . . . 6058 1 118 . 1 1 9 9 VAL HG13 H 1 0.78 0.01 . 2 . . . . . . . . 6058 1 119 . 1 1 9 9 VAL HG21 H 1 0.83 0.01 . 2 . . . . . . . . 6058 1 120 . 1 1 9 9 VAL HG22 H 1 0.83 0.01 . 2 . . . . . . . . 6058 1 121 . 1 1 9 9 VAL HG23 H 1 0.83 0.01 . 2 . . . . . . . . 6058 1 122 . 1 1 10 10 ARG H H 1 7.68 0.01 . 1 . . . . . . . . 6058 1 123 . 1 1 10 10 ARG N N 15 119.50 0.1 . 1 . . . . . . . . 6058 1 124 . 1 1 10 10 ARG CA C 13 55.50 0.1 . 1 . . . . . . . . 6058 1 125 . 1 1 10 10 ARG HA H 1 4.36 0.01 . 1 . . . . . . . . 6058 1 126 . 1 1 10 10 ARG C C 13 174.70 0.1 . 1 . . . . . . . . 6058 1 127 . 1 1 10 10 ARG CB C 13 32.80 0.1 . 1 . . . . . . . . 6058 1 128 . 1 1 10 10 ARG CG C 13 26.40 0.1 . 1 . . . . . . . . 6058 1 129 . 1 1 10 10 ARG CD C 13 44.40 0.1 . 1 . . . . . . . . 6058 1 130 . 1 1 10 10 ARG HB2 H 1 1.62 0.01 . 1 . . . . . . . . 6058 1 131 . 1 1 10 10 ARG HB3 H 1 1.62 0.01 . 1 . . . . . . . . 6058 1 132 . 1 1 10 10 ARG HG2 H 1 1.74 0.01 . 1 . . . . . . . . 6058 1 133 . 1 1 10 10 ARG HG3 H 1 1.74 0.01 . 1 . . . . . . . . 6058 1 134 . 1 1 10 10 ARG HD2 H 1 3.26 0.01 . 1 . . . . . . . . 6058 1 135 . 1 1 10 10 ARG HD3 H 1 3.26 0.01 . 1 . . . . . . . . 6058 1 136 . 1 1 11 11 ASP H H 1 9.04 0.01 . 1 . . . . . . . . 6058 1 137 . 1 1 11 11 ASP N N 15 122.10 0.1 . 1 . . . . . . . . 6058 1 138 . 1 1 11 11 ASP CA C 13 54.30 0.1 . 1 . . . . . . . . 6058 1 139 . 1 1 11 11 ASP HA H 1 4.89 0.01 . 1 . . . . . . . . 6058 1 140 . 1 1 11 11 ASP C C 13 173.50 0.1 . 1 . . . . . . . . 6058 1 141 . 1 1 11 11 ASP CB C 13 43.40 0.1 . 1 . . . . . . . . 6058 1 142 . 1 1 11 11 ASP HB2 H 1 2.55 0.01 . 2 . . . . . . . . 6058 1 143 . 1 1 11 11 ASP HB3 H 1 2.48 0.01 . 2 . . . . . . . . 6058 1 144 . 1 1 12 12 ASP H H 1 8.88 0.01 . 1 . . . . . . . . 6058 1 145 . 1 1 12 12 ASP N N 15 115.40 0.1 . 1 . . . . . . . . 6058 1 146 . 1 1 12 12 ASP CA C 13 54.70 0.1 . 1 . . . . . . . . 6058 1 147 . 1 1 12 12 ASP HA H 1 4.40 0.01 . 1 . . . . . . . . 6058 1 148 . 1 1 12 12 ASP C C 13 174.20 0.1 . 1 . . . . . . . . 6058 1 149 . 1 1 12 12 ASP CB C 13 39.10 0.1 . 1 . . . . . . . . 6058 1 150 . 1 1 12 12 ASP HB2 H 1 2.81 0.01 . 1 . . . . . . . . 6058 1 151 . 1 1 12 12 ASP HB3 H 1 2.81 0.01 . 1 . . . . . . . . 6058 1 152 . 1 1 13 13 LEU H H 1 6.80 0.01 . 1 . . . . . . . . 6058 1 153 . 1 1 13 13 LEU N N 15 118.00 0.1 . 1 . . . . . . . . 6058 1 154 . 1 1 13 13 LEU CA C 13 54.20 0.1 . 1 . . . . . . . . 6058 1 155 . 1 1 13 13 LEU HA H 1 4.31 0.01 . 1 . . . . . . . . 6058 1 156 . 1 1 13 13 LEU CB C 13 43.00 0.1 . 1 . . . . . . . . 6058 1 157 . 1 1 13 13 LEU HD11 H 1 0.76 0.01 . 1 . . . . . . . . 6058 1 158 . 1 1 13 13 LEU HD12 H 1 0.76 0.01 . 1 . . . . . . . . 6058 1 159 . 1 1 13 13 LEU HD13 H 1 0.76 0.01 . 1 . . . . . . . . 6058 1 160 . 1 1 13 13 LEU HD21 H 1 0.76 0.01 . 1 . . . . . . . . 6058 1 161 . 1 1 13 13 LEU HD22 H 1 0.76 0.01 . 1 . . . . . . . . 6058 1 162 . 1 1 13 13 LEU HD23 H 1 0.76 0.01 . 1 . . . . . . . . 6058 1 163 . 1 1 13 13 LEU HG H 1 1.14 0.01 . 1 . . . . . . . . 6058 1 164 . 1 1 13 13 LEU HB2 H 1 1.31 0.01 . 2 . . . . . . . . 6058 1 165 . 1 1 13 13 LEU HB3 H 1 1.67 0.01 . 2 . . . . . . . . 6058 1 166 . 1 1 16 16 SER CA C 13 57.80 0.1 . 1 . . . . . . . . 6058 1 167 . 1 1 16 16 SER HA H 1 4.44 0.01 . 1 . . . . . . . . 6058 1 168 . 1 1 16 16 SER C C 13 175.80 0.1 . 1 . . . . . . . . 6058 1 169 . 1 1 16 16 SER CB C 13 64.30 0.1 . 1 . . . . . . . . 6058 1 170 . 1 1 16 16 SER HB2 H 1 3.22 0.01 . 2 . . . . . . . . 6058 1 171 . 1 1 16 16 SER HB3 H 1 3.13 0.01 . 2 . . . . . . . . 6058 1 172 . 1 1 17 17 ARG H H 1 8.83 0.01 . 1 . . . . . . . . 6058 1 173 . 1 1 17 17 ARG N N 15 120.50 0.1 . 1 . . . . . . . . 6058 1 174 . 1 1 17 17 ARG CA C 13 60.50 0.1 . 1 . . . . . . . . 6058 1 175 . 1 1 17 17 ARG HA H 1 3.91 0.01 . 1 . . . . . . . . 6058 1 176 . 1 1 17 17 ARG C C 13 171.90 0.1 . 1 . . . . . . . . 6058 1 177 . 1 1 17 17 ARG CB C 13 30.70 0.1 . 1 . . . . . . . . 6058 1 178 . 1 1 17 17 ARG CG C 13 27.40 0.1 . 1 . . . . . . . . 6058 1 179 . 1 1 17 17 ARG CD C 13 43.70 0.1 . 1 . . . . . . . . 6058 1 180 . 1 1 17 17 ARG HB2 H 1 1.84 0.01 . 1 . . . . . . . . 6058 1 181 . 1 1 17 17 ARG HB3 H 1 1.84 0.01 . 1 . . . . . . . . 6058 1 182 . 1 1 17 17 ARG HG2 H 1 1.61 0.01 . 1 . . . . . . . . 6058 1 183 . 1 1 17 17 ARG HG3 H 1 1.61 0.01 . 1 . . . . . . . . 6058 1 184 . 1 1 17 17 ARG HD2 H 1 3.23 0.01 . 1 . . . . . . . . 6058 1 185 . 1 1 17 17 ARG HD3 H 1 3.23 0.01 . 1 . . . . . . . . 6058 1 186 . 1 1 18 18 GLY H H 1 8.67 0.01 . 1 . . . . . . . . 6058 1 187 . 1 1 18 18 GLY N N 15 106.50 0.1 . 1 . . . . . . . . 6058 1 188 . 1 1 18 18 GLY CA C 13 47.00 0.1 . 1 . . . . . . . . 6058 1 189 . 1 1 18 18 GLY C C 13 175.10 0.1 . 1 . . . . . . . . 6058 1 190 . 1 1 18 18 GLY HA2 H 1 3.63 0.01 . 2 . . . . . . . . 6058 1 191 . 1 1 18 18 GLY HA3 H 1 4.03 0.01 . 2 . . . . . . . . 6058 1 192 . 1 1 19 19 LYS H H 1 7.37 0.01 . 1 . . . . . . . . 6058 1 193 . 1 1 19 19 LYS N N 15 120.80 0.1 . 1 . . . . . . . . 6058 1 194 . 1 1 19 19 LYS CA C 13 58.60 0.1 . 1 . . . . . . . . 6058 1 195 . 1 1 19 19 LYS HA H 1 4.10 0.01 . 1 . . . . . . . . 6058 1 196 . 1 1 19 19 LYS C C 13 170.70 0.1 . 1 . . . . . . . . 6058 1 197 . 1 1 19 19 LYS CB C 13 32.50 0.1 . 1 . . . . . . . . 6058 1 198 . 1 1 19 19 LYS CG C 13 25.80 0.1 . 1 . . . . . . . . 6058 1 199 . 1 1 19 19 LYS CD C 13 28.40 0.1 . 1 . . . . . . . . 6058 1 200 . 1 1 19 19 LYS CE C 13 42.40 0.1 . 1 . . . . . . . . 6058 1 201 . 1 1 19 19 LYS HB2 H 1 2.00 0.01 . 2 . . . . . . . . 6058 1 202 . 1 1 19 19 LYS HB3 H 1 1.81 0.01 . 2 . . . . . . . . 6058 1 203 . 1 1 19 19 LYS HG2 H 1 1.54 0.01 . 2 . . . . . . . . 6058 1 204 . 1 1 19 19 LYS HG3 H 1 1.48 0.01 . 2 . . . . . . . . 6058 1 205 . 1 1 19 19 LYS HD2 H 1 1.71 0.01 . 1 . . . . . . . . 6058 1 206 . 1 1 19 19 LYS HD3 H 1 1.71 0.01 . 1 . . . . . . . . 6058 1 207 . 1 1 19 19 LYS HE2 H 1 3.00 0.01 . 1 . . . . . . . . 6058 1 208 . 1 1 19 19 LYS HE3 H 1 3.00 0.01 . 1 . . . . . . . . 6058 1 209 . 1 1 20 20 LEU H H 1 8.81 0.01 . 1 . . . . . . . . 6058 1 210 . 1 1 20 20 LEU N N 15 121.50 0.1 . 1 . . . . . . . . 6058 1 211 . 1 1 20 20 LEU CA C 13 58.60 0.1 . 1 . . . . . . . . 6058 1 212 . 1 1 20 20 LEU HA H 1 3.86 0.01 . 1 . . . . . . . . 6058 1 213 . 1 1 20 20 LEU C C 13 172.00 0.1 . 1 . . . . . . . . 6058 1 214 . 1 1 20 20 LEU CB C 13 41.40 0.1 . 1 . . . . . . . . 6058 1 215 . 1 1 20 20 LEU CG C 13 27.10 0.1 . 1 . . . . . . . . 6058 1 216 . 1 1 20 20 LEU CD1 C 13 25.10 0.1 . 2 . . . . . . . . 6058 1 217 . 1 1 20 20 LEU CD2 C 13 24.10 0.1 . 2 . . . . . . . . 6058 1 218 . 1 1 20 20 LEU HD11 H 1 0.84 0.01 . 1 . . . . . . . . 6058 1 219 . 1 1 20 20 LEU HD12 H 1 0.84 0.01 . 1 . . . . . . . . 6058 1 220 . 1 1 20 20 LEU HD13 H 1 0.84 0.01 . 1 . . . . . . . . 6058 1 221 . 1 1 20 20 LEU HD21 H 1 0.84 0.01 . 1 . . . . . . . . 6058 1 222 . 1 1 20 20 LEU HD22 H 1 0.84 0.01 . 1 . . . . . . . . 6058 1 223 . 1 1 20 20 LEU HD23 H 1 0.84 0.01 . 1 . . . . . . . . 6058 1 224 . 1 1 20 20 LEU HG H 1 1.57 0.01 . 1 . . . . . . . . 6058 1 225 . 1 1 20 20 LEU HB2 H 1 1.84 0.01 . 2 . . . . . . . . 6058 1 226 . 1 1 20 20 LEU HB3 H 1 1.54 0.01 . 2 . . . . . . . . 6058 1 227 . 1 1 21 21 ALA H H 1 7.76 0.01 . 1 . . . . . . . . 6058 1 228 . 1 1 21 21 ALA N N 15 119.30 0.1 . 1 . . . . . . . . 6058 1 229 . 1 1 21 21 ALA CA C 13 55.50 0.1 . 1 . . . . . . . . 6058 1 230 . 1 1 21 21 ALA HA H 1 3.76 0.01 . 1 . . . . . . . . 6058 1 231 . 1 1 21 21 ALA C C 13 171.90 0.1 . 1 . . . . . . . . 6058 1 232 . 1 1 21 21 ALA CB C 13 17.50 0.1 . 1 . . . . . . . . 6058 1 233 . 1 1 21 21 ALA HB1 H 1 1.45 0.01 . 1 . . . . . . . . 6058 1 234 . 1 1 21 21 ALA HB2 H 1 1.45 0.01 . 1 . . . . . . . . 6058 1 235 . 1 1 21 21 ALA HB3 H 1 1.45 0.01 . 1 . . . . . . . . 6058 1 236 . 1 1 22 22 VAL H H 1 7.41 0.01 . 1 . . . . . . . . 6058 1 237 . 1 1 22 22 VAL N N 15 115.30 0.1 . 1 . . . . . . . . 6058 1 238 . 1 1 22 22 VAL CA C 13 67.50 0.1 . 1 . . . . . . . . 6058 1 239 . 1 1 22 22 VAL HA H 1 3.08 0.01 . 1 . . . . . . . . 6058 1 240 . 1 1 22 22 VAL C C 13 174.10 0.1 . 1 . . . . . . . . 6058 1 241 . 1 1 22 22 VAL CB C 13 31.20 0.1 . 1 . . . . . . . . 6058 1 242 . 1 1 22 22 VAL HB H 1 2.16 0.01 . 1 . . . . . . . . 6058 1 243 . 1 1 22 22 VAL CG1 C 13 22.40 0.1 . 2 . . . . . . . . 6058 1 244 . 1 1 22 22 VAL CG2 C 13 24.20 0.1 . 2 . . . . . . . . 6058 1 245 . 1 1 22 22 VAL HG11 H 1 0.57 0.01 . 2 . . . . . . . . 6058 1 246 . 1 1 22 22 VAL HG12 H 1 0.57 0.01 . 2 . . . . . . . . 6058 1 247 . 1 1 22 22 VAL HG13 H 1 0.57 0.01 . 2 . . . . . . . . 6058 1 248 . 1 1 22 22 VAL HG21 H 1 0.98 0.01 . 2 . . . . . . . . 6058 1 249 . 1 1 22 22 VAL HG22 H 1 0.98 0.01 . 2 . . . . . . . . 6058 1 250 . 1 1 22 22 VAL HG23 H 1 0.98 0.01 . 2 . . . . . . . . 6058 1 251 . 1 1 23 23 GLN H H 1 7.62 0.01 . 1 . . . . . . . . 6058 1 252 . 1 1 23 23 GLN N N 15 116.00 0.1 . 1 . . . . . . . . 6058 1 253 . 1 1 23 23 GLN CA C 13 58.10 0.1 . 1 . . . . . . . . 6058 1 254 . 1 1 23 23 GLN HA H 1 3.76 0.01 . 1 . . . . . . . . 6058 1 255 . 1 1 23 23 GLN C C 13 172.00 0.1 . 1 . . . . . . . . 6058 1 256 . 1 1 23 23 GLN CB C 13 27.60 0.1 . 1 . . . . . . . . 6058 1 257 . 1 1 23 23 GLN CG C 13 33.60 0.1 . 1 . . . . . . . . 6058 1 258 . 1 1 23 23 GLN NE2 N 15 106.40 0.1 . 1 . . . . . . . . 6058 1 259 . 1 1 23 23 GLN HE21 H 1 6.43 0.01 . 2 . . . . . . . . 6058 1 260 . 1 1 23 23 GLN HE22 H 1 5.51 0.01 . 2 . . . . . . . . 6058 1 261 . 1 1 23 23 GLN HB2 H 1 2.08 0.01 . 1 . . . . . . . . 6058 1 262 . 1 1 23 23 GLN HB3 H 1 2.08 0.01 . 1 . . . . . . . . 6058 1 263 . 1 1 23 23 GLN HG2 H 1 2.34 0.01 . 1 . . . . . . . . 6058 1 264 . 1 1 23 23 GLN HG3 H 1 2.34 0.01 . 1 . . . . . . . . 6058 1 265 . 1 1 24 24 VAL H H 1 7.80 0.01 . 1 . . . . . . . . 6058 1 266 . 1 1 24 24 VAL N N 15 117.60 0.1 . 1 . . . . . . . . 6058 1 267 . 1 1 24 24 VAL CA C 13 65.90 0.1 . 1 . . . . . . . . 6058 1 268 . 1 1 24 24 VAL HA H 1 3.38 0.01 . 1 . . . . . . . . 6058 1 269 . 1 1 24 24 VAL C C 13 173.70 0.1 . 1 . . . . . . . . 6058 1 270 . 1 1 24 24 VAL CB C 13 31.00 0.1 . 1 . . . . . . . . 6058 1 271 . 1 1 24 24 VAL HB H 1 2.16 0.01 . 1 . . . . . . . . 6058 1 272 . 1 1 24 24 VAL CG1 C 13 20.90 0.1 . 2 . . . . . . . . 6058 1 273 . 1 1 24 24 VAL CG2 C 13 22.80 0.1 . 2 . . . . . . . . 6058 1 274 . 1 1 24 24 VAL HG11 H 1 0.69 0.01 . 2 . . . . . . . . 6058 1 275 . 1 1 24 24 VAL HG12 H 1 0.69 0.01 . 2 . . . . . . . . 6058 1 276 . 1 1 24 24 VAL HG13 H 1 0.69 0.01 . 2 . . . . . . . . 6058 1 277 . 1 1 24 24 VAL HG21 H 1 0.85 0.01 . 2 . . . . . . . . 6058 1 278 . 1 1 24 24 VAL HG22 H 1 0.85 0.01 . 2 . . . . . . . . 6058 1 279 . 1 1 24 24 VAL HG23 H 1 0.85 0.01 . 2 . . . . . . . . 6058 1 280 . 1 1 25 25 ALA H H 1 7.97 0.01 . 1 . . . . . . . . 6058 1 281 . 1 1 25 25 ALA N N 15 122.60 0.1 . 1 . . . . . . . . 6058 1 282 . 1 1 25 25 ALA CA C 13 55.40 0.1 . 1 . . . . . . . . 6058 1 283 . 1 1 25 25 ALA HA H 1 3.96 0.01 . 1 . . . . . . . . 6058 1 284 . 1 1 25 25 ALA C C 13 171.40 0.1 . 1 . . . . . . . . 6058 1 285 . 1 1 25 25 ALA CB C 13 18.60 0.1 . 1 . . . . . . . . 6058 1 286 . 1 1 25 25 ALA HB1 H 1 1.27 0.01 . 1 . . . . . . . . 6058 1 287 . 1 1 25 25 ALA HB2 H 1 1.27 0.01 . 1 . . . . . . . . 6058 1 288 . 1 1 25 25 ALA HB3 H 1 1.27 0.01 . 1 . . . . . . . . 6058 1 289 . 1 1 26 26 HIS H H 1 8.68 0.01 . 1 . . . . . . . . 6058 1 290 . 1 1 26 26 HIS N N 15 116.30 0.1 . 1 . . . . . . . . 6058 1 291 . 1 1 26 26 HIS CA C 13 56.90 0.1 . 1 . . . . . . . . 6058 1 292 . 1 1 26 26 HIS HA H 1 4.35 0.01 . 1 . . . . . . . . 6058 1 293 . 1 1 26 26 HIS C C 13 171.80 0.1 . 1 . . . . . . . . 6058 1 294 . 1 1 26 26 HIS CB C 13 31.50 0.1 . 1 . . . . . . . . 6058 1 295 . 1 1 26 26 HIS CD2 C 13 116.70 0.1 . 1 . . . . . . . . 6058 1 296 . 1 1 26 26 HIS HD2 H 1 6.69 0.01 . 1 . . . . . . . . 6058 1 297 . 1 1 26 26 HIS HB2 H 1 3.40 0.01 . 2 . . . . . . . . 6058 1 298 . 1 1 26 26 HIS HB3 H 1 2.77 0.01 . 2 . . . . . . . . 6058 1 299 . 1 1 27 27 ALA H H 1 7.85 0.01 . 1 . . . . . . . . 6058 1 300 . 1 1 27 27 ALA N N 15 119.50 0.1 . 1 . . . . . . . . 6058 1 301 . 1 1 27 27 ALA CA C 13 54.70 0.1 . 1 . . . . . . . . 6058 1 302 . 1 1 27 27 ALA HA H 1 3.46 0.01 . 1 . . . . . . . . 6058 1 303 . 1 1 27 27 ALA C C 13 172.50 0.1 . 1 . . . . . . . . 6058 1 304 . 1 1 27 27 ALA CB C 13 19.90 0.1 . 1 . . . . . . . . 6058 1 305 . 1 1 27 27 ALA HB1 H 1 1.35 0.01 . 1 . . . . . . . . 6058 1 306 . 1 1 27 27 ALA HB2 H 1 1.35 0.01 . 1 . . . . . . . . 6058 1 307 . 1 1 27 27 ALA HB3 H 1 1.35 0.01 . 1 . . . . . . . . 6058 1 308 . 1 1 28 28 ALA H H 1 8.31 0.01 . 1 . . . . . . . . 6058 1 309 . 1 1 28 28 ALA N N 15 119.40 0.1 . 1 . . . . . . . . 6058 1 310 . 1 1 28 28 ALA CA C 13 54.60 0.1 . 1 . . . . . . . . 6058 1 311 . 1 1 28 28 ALA HA H 1 4.10 0.01 . 1 . . . . . . . . 6058 1 312 . 1 1 28 28 ALA C C 13 169.70 0.1 . 1 . . . . . . . . 6058 1 313 . 1 1 28 28 ALA CB C 13 19.40 0.1 . 1 . . . . . . . . 6058 1 314 . 1 1 28 28 ALA HB1 H 1 1.53 0.01 . 1 . . . . . . . . 6058 1 315 . 1 1 28 28 ALA HB2 H 1 1.53 0.01 . 1 . . . . . . . . 6058 1 316 . 1 1 28 28 ALA HB3 H 1 1.53 0.01 . 1 . . . . . . . . 6058 1 317 . 1 1 29 29 ILE H H 1 7.53 0.01 . 1 . . . . . . . . 6058 1 318 . 1 1 29 29 ILE N N 15 117.60 0.1 . 1 . . . . . . . . 6058 1 319 . 1 1 29 29 ILE CA C 13 63.80 0.1 . 1 . . . . . . . . 6058 1 320 . 1 1 29 29 ILE HA H 1 3.55 0.01 . 1 . . . . . . . . 6058 1 321 . 1 1 29 29 ILE C C 13 173.00 0.1 . 1 . . . . . . . . 6058 1 322 . 1 1 29 29 ILE CB C 13 36.10 0.1 . 1 . . . . . . . . 6058 1 323 . 1 1 29 29 ILE HB H 1 2.47 0.01 . 1 . . . . . . . . 6058 1 324 . 1 1 29 29 ILE CG2 C 13 16.60 0.1 . 1 . . . . . . . . 6058 1 325 . 1 1 29 29 ILE HG21 H 1 0.52 0.01 . 1 . . . . . . . . 6058 1 326 . 1 1 29 29 ILE HG22 H 1 0.52 0.01 . 1 . . . . . . . . 6058 1 327 . 1 1 29 29 ILE HG23 H 1 0.52 0.01 . 1 . . . . . . . . 6058 1 328 . 1 1 29 29 ILE CG1 C 13 28.40 0.1 . 1 . . . . . . . . 6058 1 329 . 1 1 29 29 ILE CD1 C 13 11.20 0.1 . 1 . . . . . . . . 6058 1 330 . 1 1 29 29 ILE HD11 H 1 0.83 0.01 . 1 . . . . . . . . 6058 1 331 . 1 1 29 29 ILE HD12 H 1 0.83 0.01 . 1 . . . . . . . . 6058 1 332 . 1 1 29 29 ILE HD13 H 1 0.83 0.01 . 1 . . . . . . . . 6058 1 333 . 1 1 29 29 ILE HG12 H 1 1.70 0.01 . 2 . . . . . . . . 6058 1 334 . 1 1 29 29 ILE HG13 H 1 1.39 0.01 . 2 . . . . . . . . 6058 1 335 . 1 1 30 30 ILE H H 1 7.94 0.01 . 1 . . . . . . . . 6058 1 336 . 1 1 30 30 ILE N N 15 119.40 0.1 . 1 . . . . . . . . 6058 1 337 . 1 1 30 30 ILE CA C 13 65.70 0.1 . 1 . . . . . . . . 6058 1 338 . 1 1 30 30 ILE HA H 1 3.54 0.01 . 1 . . . . . . . . 6058 1 339 . 1 1 30 30 ILE C C 13 172.20 0.1 . 1 . . . . . . . . 6058 1 340 . 1 1 30 30 ILE CB C 13 37.80 0.1 . 1 . . . . . . . . 6058 1 341 . 1 1 30 30 ILE HB H 1 1.76 0.01 . 1 . . . . . . . . 6058 1 342 . 1 1 30 30 ILE CG2 C 13 16.60 0.1 . 1 . . . . . . . . 6058 1 343 . 1 1 30 30 ILE HG21 H 1 0.69 0.01 . 1 . . . . . . . . 6058 1 344 . 1 1 30 30 ILE HG22 H 1 0.69 0.01 . 1 . . . . . . . . 6058 1 345 . 1 1 30 30 ILE HG23 H 1 0.69 0.01 . 1 . . . . . . . . 6058 1 346 . 1 1 30 30 ILE CG1 C 13 29.30 0.1 . 1 . . . . . . . . 6058 1 347 . 1 1 30 30 ILE CD1 C 13 13.00 0.1 . 1 . . . . . . . . 6058 1 348 . 1 1 30 30 ILE HD11 H 1 0.78 0.01 . 1 . . . . . . . . 6058 1 349 . 1 1 30 30 ILE HD12 H 1 0.78 0.01 . 1 . . . . . . . . 6058 1 350 . 1 1 30 30 ILE HD13 H 1 0.78 0.01 . 1 . . . . . . . . 6058 1 351 . 1 1 30 30 ILE HG12 H 1 1.50 0.01 . 2 . . . . . . . . 6058 1 352 . 1 1 30 30 ILE HG13 H 1 1.09 0.01 . 2 . . . . . . . . 6058 1 353 . 1 1 31 31 GLY H H 1 8.47 0.01 . 1 . . . . . . . . 6058 1 354 . 1 1 31 31 GLY N N 15 104.50 0.1 . 1 . . . . . . . . 6058 1 355 . 1 1 31 31 GLY CA C 13 47.30 0.1 . 1 . . . . . . . . 6058 1 356 . 1 1 31 31 GLY C C 13 174.70 0.1 . 1 . . . . . . . . 6058 1 357 . 1 1 31 31 GLY HA2 H 1 3.48 0.01 . 1 . . . . . . . . 6058 1 358 . 1 1 31 31 GLY HA3 H 1 3.48 0.01 . 1 . . . . . . . . 6058 1 359 . 1 1 32 32 TYR H H 1 7.98 0.01 . 1 . . . . . . . . 6058 1 360 . 1 1 32 32 TYR N N 15 122.60 0.1 . 1 . . . . . . . . 6058 1 361 . 1 1 32 32 TYR CA C 13 63.40 0.1 . 1 . . . . . . . . 6058 1 362 . 1 1 32 32 TYR HA H 1 3.50 0.01 . 1 . . . . . . . . 6058 1 363 . 1 1 32 32 TYR C C 13 172.90 0.1 . 1 . . . . . . . . 6058 1 364 . 1 1 32 32 TYR CB C 13 38.70 0.1 . 1 . . . . . . . . 6058 1 365 . 1 1 32 32 TYR CD1 C 13 132.60 0.1 . 1 . . . . . . . . 6058 1 366 . 1 1 32 32 TYR CD2 C 13 132.60 0.1 . 1 . . . . . . . . 6058 1 367 . 1 1 32 32 TYR HD1 H 1 7.05 0.01 . 1 . . . . . . . . 6058 1 368 . 1 1 32 32 TYR HD2 H 1 7.05 0.01 . 1 . . . . . . . . 6058 1 369 . 1 1 32 32 TYR CE1 C 13 118.10 0.1 . 1 . . . . . . . . 6058 1 370 . 1 1 32 32 TYR CE2 C 13 118.10 0.1 . 1 . . . . . . . . 6058 1 371 . 1 1 32 32 TYR HE1 H 1 6.86 0.01 . 1 . . . . . . . . 6058 1 372 . 1 1 32 32 TYR HE2 H 1 6.86 0.01 . 1 . . . . . . . . 6058 1 373 . 1 1 32 32 TYR HB2 H 1 3.37 0.01 . 2 . . . . . . . . 6058 1 374 . 1 1 32 32 TYR HB3 H 1 3.03 0.01 . 2 . . . . . . . . 6058 1 375 . 1 1 33 33 LEU H H 1 8.63 0.01 . 1 . . . . . . . . 6058 1 376 . 1 1 33 33 LEU N N 15 118.70 0.1 . 1 . . . . . . . . 6058 1 377 . 1 1 33 33 LEU CA C 13 57.50 0.1 . 1 . . . . . . . . 6058 1 378 . 1 1 33 33 LEU HA H 1 3.76 0.01 . 1 . . . . . . . . 6058 1 379 . 1 1 33 33 LEU C C 13 171.40 0.1 . 1 . . . . . . . . 6058 1 380 . 1 1 33 33 LEU CB C 13 42.20 0.1 . 1 . . . . . . . . 6058 1 381 . 1 1 33 33 LEU CG C 13 26.90 0.1 . 1 . . . . . . . . 6058 1 382 . 1 1 33 33 LEU CD1 C 13 26.40 0.1 . 2 . . . . . . . . 6058 1 383 . 1 1 33 33 LEU CD2 C 13 22.50 0.1 . 2 . . . . . . . . 6058 1 384 . 1 1 33 33 LEU HD11 H 1 0.80 0.01 . 2 . . . . . . . . 6058 1 385 . 1 1 33 33 LEU HD12 H 1 0.80 0.01 . 2 . . . . . . . . 6058 1 386 . 1 1 33 33 LEU HD13 H 1 0.80 0.01 . 2 . . . . . . . . 6058 1 387 . 1 1 33 33 LEU HD21 H 1 0.90 0.01 . 2 . . . . . . . . 6058 1 388 . 1 1 33 33 LEU HD22 H 1 0.90 0.01 . 2 . . . . . . . . 6058 1 389 . 1 1 33 33 LEU HD23 H 1 0.90 0.01 . 2 . . . . . . . . 6058 1 390 . 1 1 33 33 LEU HG H 1 1.89 0.01 . 1 . . . . . . . . 6058 1 391 . 1 1 33 33 LEU HB2 H 1 1.88 0.01 . 2 . . . . . . . . 6058 1 392 . 1 1 33 33 LEU HB3 H 1 1.46 0.01 . 2 . . . . . . . . 6058 1 393 . 1 1 34 34 LYS H H 1 7.39 0.01 . 1 . . . . . . . . 6058 1 394 . 1 1 34 34 LYS N N 15 115.10 0.1 . 1 . . . . . . . . 6058 1 395 . 1 1 34 34 LYS CA C 13 56.90 0.1 . 1 . . . . . . . . 6058 1 396 . 1 1 34 34 LYS HA H 1 4.14 0.01 . 1 . . . . . . . . 6058 1 397 . 1 1 34 34 LYS C C 13 174.00 0.1 . 1 . . . . . . . . 6058 1 398 . 1 1 34 34 LYS CB C 13 33.80 0.1 . 1 . . . . . . . . 6058 1 399 . 1 1 34 34 LYS CG C 13 25.10 0.1 . 1 . . . . . . . . 6058 1 400 . 1 1 34 34 LYS CD C 13 28.70 0.1 . 1 . . . . . . . . 6058 1 401 . 1 1 34 34 LYS CE C 13 42.10 0.1 . 1 . . . . . . . . 6058 1 402 . 1 1 34 34 LYS HB2 H 1 1.88 0.01 . 2 . . . . . . . . 6058 1 403 . 1 1 34 34 LYS HB3 H 1 1.49 0.01 . 2 . . . . . . . . 6058 1 404 . 1 1 34 34 LYS HG2 H 1 1.40 0.01 . 1 . . . . . . . . 6058 1 405 . 1 1 34 34 LYS HG3 H 1 1.40 0.01 . 1 . . . . . . . . 6058 1 406 . 1 1 34 34 LYS HD2 H 1 1.70 0.01 . 1 . . . . . . . . 6058 1 407 . 1 1 34 34 LYS HD3 H 1 1.70 0.01 . 1 . . . . . . . . 6058 1 408 . 1 1 34 34 LYS HE2 H 1 3.02 0.01 . 1 . . . . . . . . 6058 1 409 . 1 1 34 34 LYS HE3 H 1 3.02 0.01 . 1 . . . . . . . . 6058 1 410 . 1 1 35 35 SER H H 1 7.08 0.01 . 1 . . . . . . . . 6058 1 411 . 1 1 35 35 SER N N 15 114.80 0.1 . 1 . . . . . . . . 6058 1 412 . 1 1 35 35 SER CA C 13 59.90 0.1 . 1 . . . . . . . . 6058 1 413 . 1 1 35 35 SER HA H 1 4.35 0.01 . 1 . . . . . . . . 6058 1 414 . 1 1 35 35 SER C C 13 178.10 0.1 . 1 . . . . . . . . 6058 1 415 . 1 1 35 35 SER CB C 13 64.80 0.1 . 1 . . . . . . . . 6058 1 416 . 1 1 35 35 SER HG H 1 5.19 0.01 . 1 . . . . . . . . 6058 1 417 . 1 1 35 35 SER HB2 H 1 3.73 0.01 . 2 . . . . . . . . 6058 1 418 . 1 1 35 35 SER HB3 H 1 3.54 0.01 . 2 . . . . . . . . 6058 1 419 . 1 1 36 36 ASP H H 1 9.01 0.01 . 1 . . . . . . . . 6058 1 420 . 1 1 36 36 ASP N N 15 122.90 0.1 . 1 . . . . . . . . 6058 1 421 . 1 1 36 36 ASP CA C 13 54.90 0.1 . 1 . . . . . . . . 6058 1 422 . 1 1 36 36 ASP HA H 1 4.35 0.01 . 1 . . . . . . . . 6058 1 423 . 1 1 36 36 ASP C C 13 173.30 0.1 . 1 . . . . . . . . 6058 1 424 . 1 1 36 36 ASP CB C 13 43.40 0.1 . 1 . . . . . . . . 6058 1 425 . 1 1 36 36 ASP HB2 H 1 2.80 0.01 . 2 . . . . . . . . 6058 1 426 . 1 1 36 36 ASP HB3 H 1 2.58 0.01 . 2 . . . . . . . . 6058 1 427 . 1 1 37 37 SER H H 1 8.59 0.01 . 1 . . . . . . . . 6058 1 428 . 1 1 37 37 SER N N 15 119.90 0.1 . 1 . . . . . . . . 6058 1 429 . 1 1 37 37 SER CA C 13 61.80 0.1 . 1 . . . . . . . . 6058 1 430 . 1 1 37 37 SER HA H 1 3.85 0.01 . 1 . . . . . . . . 6058 1 431 . 1 1 37 37 SER C C 13 173.80 0.1 . 1 . . . . . . . . 6058 1 432 . 1 1 37 37 SER CB C 13 62.80 0.1 . 1 . . . . . . . . 6058 1 433 . 1 1 37 37 SER HB2 H 1 3.96 0.01 . 1 . . . . . . . . 6058 1 434 . 1 1 37 37 SER HB3 H 1 3.96 0.01 . 1 . . . . . . . . 6058 1 435 . 1 1 38 38 SER H H 1 8.32 0.01 . 1 . . . . . . . . 6058 1 436 . 1 1 38 38 SER N N 15 118.60 0.1 . 1 . . . . . . . . 6058 1 437 . 1 1 38 38 SER CA C 13 61.40 0.1 . 1 . . . . . . . . 6058 1 438 . 1 1 38 38 SER HA H 1 4.36 0.01 . 1 . . . . . . . . 6058 1 439 . 1 1 38 38 SER C C 13 173.60 0.1 . 1 . . . . . . . . 6058 1 440 . 1 1 38 38 SER CB C 13 62.40 0.1 . 1 . . . . . . . . 6058 1 441 . 1 1 38 38 SER HB2 H 1 4.01 0.01 . 2 . . . . . . . . 6058 1 442 . 1 1 38 38 SER HB3 H 1 3.93 0.01 . 2 . . . . . . . . 6058 1 443 . 1 1 39 39 LEU H H 1 8.20 0.01 . 1 . . . . . . . . 6058 1 444 . 1 1 39 39 LEU N N 15 125.60 0.1 . 1 . . . . . . . . 6058 1 445 . 1 1 39 39 LEU CA C 13 58.60 0.1 . 1 . . . . . . . . 6058 1 446 . 1 1 39 39 LEU HA H 1 4.09 0.01 . 1 . . . . . . . . 6058 1 447 . 1 1 39 39 LEU C C 13 170.90 0.1 . 1 . . . . . . . . 6058 1 448 . 1 1 39 39 LEU CB C 13 42.90 0.1 . 1 . . . . . . . . 6058 1 449 . 1 1 39 39 LEU CG C 13 27.90 0.1 . 1 . . . . . . . . 6058 1 450 . 1 1 39 39 LEU CD1 C 13 25.40 0.1 . 2 . . . . . . . . 6058 1 451 . 1 1 39 39 LEU CD2 C 13 25.70 0.1 . 2 . . . . . . . . 6058 1 452 . 1 1 39 39 LEU HD11 H 1 0.82 0.01 . 2 . . . . . . . . 6058 1 453 . 1 1 39 39 LEU HD12 H 1 0.82 0.01 . 2 . . . . . . . . 6058 1 454 . 1 1 39 39 LEU HD13 H 1 0.82 0.01 . 2 . . . . . . . . 6058 1 455 . 1 1 39 39 LEU HD21 H 1 0.98 0.01 . 2 . . . . . . . . 6058 1 456 . 1 1 39 39 LEU HD22 H 1 0.98 0.01 . 2 . . . . . . . . 6058 1 457 . 1 1 39 39 LEU HD23 H 1 0.98 0.01 . 2 . . . . . . . . 6058 1 458 . 1 1 39 39 LEU HG H 1 1.65 0.01 . 1 . . . . . . . . 6058 1 459 . 1 1 39 39 LEU HB2 H 1 1.81 0.01 . 2 . . . . . . . . 6058 1 460 . 1 1 39 39 LEU HB3 H 1 1.52 0.01 . 2 . . . . . . . . 6058 1 461 . 1 1 40 40 ARG H H 1 8.56 0.01 . 1 . . . . . . . . 6058 1 462 . 1 1 40 40 ARG N N 15 116.20 0.1 . 1 . . . . . . . . 6058 1 463 . 1 1 40 40 ARG CA C 13 59.10 0.1 . 1 . . . . . . . . 6058 1 464 . 1 1 40 40 ARG HA H 1 4.15 0.01 . 1 . . . . . . . . 6058 1 465 . 1 1 40 40 ARG C C 13 173.40 0.1 . 1 . . . . . . . . 6058 1 466 . 1 1 40 40 ARG CB C 13 28.50 0.1 . 1 . . . . . . . . 6058 1 467 . 1 1 40 40 ARG CG C 13 25.40 0.1 . 1 . . . . . . . . 6058 1 468 . 1 1 40 40 ARG CD C 13 43.40 0.1 . 1 . . . . . . . . 6058 1 469 . 1 1 40 40 ARG HB2 H 1 2.00 0.01 . 2 . . . . . . . . 6058 1 470 . 1 1 40 40 ARG HB3 H 1 1.37 0.01 . 2 . . . . . . . . 6058 1 471 . 1 1 40 40 ARG HG2 H 1 1.69 0.01 . 1 . . . . . . . . 6058 1 472 . 1 1 40 40 ARG HG3 H 1 1.69 0.01 . 1 . . . . . . . . 6058 1 473 . 1 1 40 40 ARG HD2 H 1 3.00 0.01 . 1 . . . . . . . . 6058 1 474 . 1 1 40 40 ARG HD3 H 1 3.00 0.01 . 1 . . . . . . . . 6058 1 475 . 1 1 41 41 ARG H H 1 7.25 0.01 . 1 . . . . . . . . 6058 1 476 . 1 1 41 41 ARG N N 15 121.80 0.1 . 1 . . . . . . . . 6058 1 477 . 1 1 41 41 ARG CA C 13 59.10 0.1 . 1 . . . . . . . . 6058 1 478 . 1 1 41 41 ARG HA H 1 4.34 0.01 . 1 . . . . . . . . 6058 1 479 . 1 1 41 41 ARG C C 13 172.40 0.1 . 1 . . . . . . . . 6058 1 480 . 1 1 41 41 ARG CB C 13 30.20 0.1 . 1 . . . . . . . . 6058 1 481 . 1 1 41 41 ARG CG C 13 26.70 0.1 . 1 . . . . . . . . 6058 1 482 . 1 1 41 41 ARG CD C 13 43.00 0.1 . 1 . . . . . . . . 6058 1 483 . 1 1 41 41 ARG HB2 H 1 2.08 0.01 . 1 . . . . . . . . 6058 1 484 . 1 1 41 41 ARG HB3 H 1 2.08 0.01 . 1 . . . . . . . . 6058 1 485 . 1 1 41 41 ARG HG2 H 1 1.84 0.01 . 2 . . . . . . . . 6058 1 486 . 1 1 41 41 ARG HG3 H 1 1.79 0.01 . 2 . . . . . . . . 6058 1 487 . 1 1 41 41 ARG HD2 H 1 3.32 0.01 . 1 . . . . . . . . 6058 1 488 . 1 1 41 41 ARG HD3 H 1 3.32 0.01 . 1 . . . . . . . . 6058 1 489 . 1 1 42 42 LYS H H 1 7.64 0.01 . 1 . . . . . . . . 6058 1 490 . 1 1 42 42 LYS N N 15 121.10 0.1 . 1 . . . . . . . . 6058 1 491 . 1 1 42 42 LYS CA C 13 59.40 0.1 . 1 . . . . . . . . 6058 1 492 . 1 1 42 42 LYS HA H 1 4.15 0.01 . 1 . . . . . . . . 6058 1 493 . 1 1 42 42 LYS C C 13 172.00 0.1 . 1 . . . . . . . . 6058 1 494 . 1 1 42 42 LYS CB C 13 32.00 0.1 . 1 . . . . . . . . 6058 1 495 . 1 1 42 42 LYS CG C 13 24.80 0.1 . 1 . . . . . . . . 6058 1 496 . 1 1 42 42 LYS CD C 13 29.00 0.1 . 1 . . . . . . . . 6058 1 497 . 1 1 42 42 LYS CE C 13 42.10 0.1 . 1 . . . . . . . . 6058 1 498 . 1 1 42 42 LYS HB2 H 1 1.96 0.01 . 1 . . . . . . . . 6058 1 499 . 1 1 42 42 LYS HB3 H 1 1.96 0.01 . 1 . . . . . . . . 6058 1 500 . 1 1 42 42 LYS HG2 H 1 1.51 0.01 . 1 . . . . . . . . 6058 1 501 . 1 1 42 42 LYS HG3 H 1 1.51 0.01 . 1 . . . . . . . . 6058 1 502 . 1 1 42 42 LYS HD2 H 1 1.72 0.01 . 1 . . . . . . . . 6058 1 503 . 1 1 42 42 LYS HD3 H 1 1.72 0.01 . 1 . . . . . . . . 6058 1 504 . 1 1 42 42 LYS HE2 H 1 3.00 0.01 . 1 . . . . . . . . 6058 1 505 . 1 1 42 42 LYS HE3 H 1 3.00 0.01 . 1 . . . . . . . . 6058 1 506 . 1 1 43 43 TRP H H 1 8.44 0.01 . 1 . . . . . . . . 6058 1 507 . 1 1 43 43 TRP N N 15 118.60 0.1 . 1 . . . . . . . . 6058 1 508 . 1 1 43 43 TRP CA C 13 60.80 0.1 . 1 . . . . . . . . 6058 1 509 . 1 1 43 43 TRP HA H 1 4.19 0.01 . 1 . . . . . . . . 6058 1 510 . 1 1 43 43 TRP C C 13 171.00 0.1 . 1 . . . . . . . . 6058 1 511 . 1 1 43 43 TRP CB C 13 27.60 0.1 . 1 . . . . . . . . 6058 1 512 . 1 1 43 43 TRP CD1 C 13 126.70 0.1 . 1 . . . . . . . . 6058 1 513 . 1 1 43 43 TRP HD1 H 1 6.99 0.01 . 1 . . . . . . . . 6058 1 514 . 1 1 43 43 TRP NE1 N 15 132.60 0.1 . 1 . . . . . . . . 6058 1 515 . 1 1 43 43 TRP HE1 H 1 10.80 0.01 . 1 . . . . . . . . 6058 1 516 . 1 1 43 43 TRP CZ2 C 13 114.90 0.1 . 1 . . . . . . . . 6058 1 517 . 1 1 43 43 TRP HZ2 H 1 7.08 0.01 . 1 . . . . . . . . 6058 1 518 . 1 1 43 43 TRP CZ3 C 13 120.60 0.1 . 1 . . . . . . . . 6058 1 519 . 1 1 43 43 TRP HZ3 H 1 7.90 0.01 . 1 . . . . . . . . 6058 1 520 . 1 1 43 43 TRP CH2 C 13 122.50 0.1 . 1 . . . . . . . . 6058 1 521 . 1 1 43 43 TRP HH2 H 1 7.14 0.01 . 1 . . . . . . . . 6058 1 522 . 1 1 43 43 TRP HB2 H 1 3.85 0.01 . 2 . . . . . . . . 6058 1 523 . 1 1 43 43 TRP HB3 H 1 2.93 0.01 . 2 . . . . . . . . 6058 1 524 . 1 1 44 44 LEU H H 1 8.16 0.01 . 1 . . . . . . . . 6058 1 525 . 1 1 44 44 LEU N N 15 121.20 0.1 . 1 . . . . . . . . 6058 1 526 . 1 1 44 44 LEU CA C 13 58.90 0.1 . 1 . . . . . . . . 6058 1 527 . 1 1 44 44 LEU HA H 1 3.44 0.01 . 1 . . . . . . . . 6058 1 528 . 1 1 44 44 LEU C C 13 170.00 0.1 . 1 . . . . . . . . 6058 1 529 . 1 1 44 44 LEU CB C 13 41.90 0.1 . 1 . . . . . . . . 6058 1 530 . 1 1 44 44 LEU CG C 13 27.00 0.1 . 1 . . . . . . . . 6058 1 531 . 1 1 44 44 LEU CD1 C 13 23.50 0.1 . 2 . . . . . . . . 6058 1 532 . 1 1 44 44 LEU CD2 C 13 26.40 0.1 . 2 . . . . . . . . 6058 1 533 . 1 1 44 44 LEU HD11 H 1 0.58 0.01 . 2 . . . . . . . . 6058 1 534 . 1 1 44 44 LEU HD12 H 1 0.58 0.01 . 2 . . . . . . . . 6058 1 535 . 1 1 44 44 LEU HD13 H 1 0.58 0.01 . 2 . . . . . . . . 6058 1 536 . 1 1 44 44 LEU HD21 H 1 0.98 0.01 . 2 . . . . . . . . 6058 1 537 . 1 1 44 44 LEU HD22 H 1 0.98 0.01 . 2 . . . . . . . . 6058 1 538 . 1 1 44 44 LEU HD23 H 1 0.98 0.01 . 2 . . . . . . . . 6058 1 539 . 1 1 44 44 LEU HG H 1 2.06 0.01 . 1 . . . . . . . . 6058 1 540 . 1 1 44 44 LEU HB2 H 1 2.14 0.01 . 2 . . . . . . . . 6058 1 541 . 1 1 44 44 LEU HB3 H 1 1.57 0.01 . 2 . . . . . . . . 6058 1 542 . 1 1 45 45 ASP H H 1 8.41 0.01 . 1 . . . . . . . . 6058 1 543 . 1 1 45 45 ASP N N 15 121.80 0.1 . 1 . . . . . . . . 6058 1 544 . 1 1 45 45 ASP CA C 13 57.30 0.1 . 1 . . . . . . . . 6058 1 545 . 1 1 45 45 ASP HA H 1 4.35 0.01 . 1 . . . . . . . . 6058 1 546 . 1 1 45 45 ASP C C 13 172.50 0.1 . 1 . . . . . . . . 6058 1 547 . 1 1 45 45 ASP CB C 13 40.20 0.1 . 1 . . . . . . . . 6058 1 548 . 1 1 45 45 ASP HB2 H 1 2.97 0.01 . 2 . . . . . . . . 6058 1 549 . 1 1 45 45 ASP HB3 H 1 2.77 0.01 . 2 . . . . . . . . 6058 1 550 . 1 1 46 46 GLU H H 1 7.62 0.01 . 1 . . . . . . . . 6058 1 551 . 1 1 46 46 GLU N N 15 116.80 0.1 . 1 . . . . . . . . 6058 1 552 . 1 1 46 46 GLU CA C 13 56.10 0.1 . 1 . . . . . . . . 6058 1 553 . 1 1 46 46 GLU HA H 1 4.32 0.01 . 1 . . . . . . . . 6058 1 554 . 1 1 46 46 GLU C C 13 174.10 0.1 . 1 . . . . . . . . 6058 1 555 . 1 1 46 46 GLU CB C 13 30.40 0.1 . 1 . . . . . . . . 6058 1 556 . 1 1 46 46 GLU CG C 13 35.50 0.1 . 1 . . . . . . . . 6058 1 557 . 1 1 46 46 GLU HB2 H 1 2.44 0.01 . 2 . . . . . . . . 6058 1 558 . 1 1 46 46 GLU HB3 H 1 2.11 0.01 . 2 . . . . . . . . 6058 1 559 . 1 1 46 46 GLU HG2 H 1 2.74 0.01 . 2 . . . . . . . . 6058 1 560 . 1 1 46 46 GLU HG3 H 1 2.41 0.01 . 2 . . . . . . . . 6058 1 561 . 1 1 47 47 GLY H H 1 7.59 0.01 . 1 . . . . . . . . 6058 1 562 . 1 1 47 47 GLY N N 15 106.70 0.1 . 1 . . . . . . . . 6058 1 563 . 1 1 47 47 GLY CA C 13 45.00 0.1 . 1 . . . . . . . . 6058 1 564 . 1 1 47 47 GLY C C 13 176.60 0.1 . 1 . . . . . . . . 6058 1 565 . 1 1 47 47 GLY HA2 H 1 3.53 0.01 . 2 . . . . . . . . 6058 1 566 . 1 1 47 47 GLY HA3 H 1 4.21 0.01 . 2 . . . . . . . . 6058 1 567 . 1 1 48 48 GLN H H 1 8.30 0.01 . 1 . . . . . . . . 6058 1 568 . 1 1 48 48 GLN N N 15 119.70 0.1 . 1 . . . . . . . . 6058 1 569 . 1 1 48 48 GLN CA C 13 52.40 0.1 . 1 . . . . . . . . 6058 1 570 . 1 1 48 48 GLN C C 13 176.10 0.1 . 1 . . . . . . . . 6058 1 571 . 1 1 48 48 GLN CB C 13 28.80 0.1 . 1 . . . . . . . . 6058 1 572 . 1 1 48 48 GLN CG C 13 31.00 0.1 . 1 . . . . . . . . 6058 1 573 . 1 1 48 48 GLN HG2 H 1 1.03 0.01 . 1 . . . . . . . . 6058 1 574 . 1 1 48 48 GLN HG3 H 1 1.03 0.01 . 1 . . . . . . . . 6058 1 575 . 1 1 49 49 LYS H H 1 8.38 0.01 . 1 . . . . . . . . 6058 1 576 . 1 1 49 49 LYS N N 15 118.00 0.1 . 1 . . . . . . . . 6058 1 577 . 1 1 49 49 LYS CA C 13 58.80 0.1 . 1 . . . . . . . . 6058 1 578 . 1 1 49 49 LYS HA H 1 4.09 0.01 . 1 . . . . . . . . 6058 1 579 . 1 1 49 49 LYS C C 13 171.70 0.1 . 1 . . . . . . . . 6058 1 580 . 1 1 49 49 LYS CB C 13 33.00 0.1 . 1 . . . . . . . . 6058 1 581 . 1 1 49 49 LYS CG C 13 25.40 0.1 . 1 . . . . . . . . 6058 1 582 . 1 1 49 49 LYS CD C 13 29.30 0.1 . 1 . . . . . . . . 6058 1 583 . 1 1 49 49 LYS CE C 13 42.10 0.1 . 1 . . . . . . . . 6058 1 584 . 1 1 49 49 LYS HB2 H 1 2.00 0.01 . 1 . . . . . . . . 6058 1 585 . 1 1 49 49 LYS HB3 H 1 2.00 0.01 . 1 . . . . . . . . 6058 1 586 . 1 1 49 49 LYS HG2 H 1 -0.34 0.01 . 2 . . . . . . . . 6058 1 587 . 1 1 49 49 LYS HG3 H 1 0.20 0.01 . 2 . . . . . . . . 6058 1 588 . 1 1 49 49 LYS HD2 H 1 1.73 0.01 . 1 . . . . . . . . 6058 1 589 . 1 1 49 49 LYS HD3 H 1 1.73 0.01 . 1 . . . . . . . . 6058 1 590 . 1 1 49 49 LYS HE2 H 1 2.39 0.01 . 1 . . . . . . . . 6058 1 591 . 1 1 49 49 LYS HE3 H 1 2.39 0.01 . 1 . . . . . . . . 6058 1 592 . 1 1 50 50 LYS H H 1 9.05 0.01 . 1 . . . . . . . . 6058 1 593 . 1 1 50 50 LYS N N 15 125.10 0.1 . 1 . . . . . . . . 6058 1 594 . 1 1 50 50 LYS CA C 13 54.70 0.1 . 1 . . . . . . . . 6058 1 595 . 1 1 50 50 LYS HA H 1 6.01 0.01 . 1 . . . . . . . . 6058 1 596 . 1 1 50 50 LYS C C 13 175.60 0.1 . 1 . . . . . . . . 6058 1 597 . 1 1 50 50 LYS CB C 13 39.50 0.1 . 1 . . . . . . . . 6058 1 598 . 1 1 50 50 LYS CG C 13 23.80 0.1 . 1 . . . . . . . . 6058 1 599 . 1 1 50 50 LYS CD C 13 30.60 0.1 . 1 . . . . . . . . 6058 1 600 . 1 1 50 50 LYS CE C 13 41.40 0.1 . 1 . . . . . . . . 6058 1 601 . 1 1 50 50 LYS HB2 H 1 1.52 0.01 . 2 . . . . . . . . 6058 1 602 . 1 1 50 50 LYS HB3 H 1 1.73 0.01 . 2 . . . . . . . . 6058 1 603 . 1 1 50 50 LYS HG2 H 1 1.24 0.01 . 1 . . . . . . . . 6058 1 604 . 1 1 50 50 LYS HG3 H 1 1.24 0.01 . 1 . . . . . . . . 6058 1 605 . 1 1 50 50 LYS HD2 H 1 1.57 0.01 . 1 . . . . . . . . 6058 1 606 . 1 1 50 50 LYS HD3 H 1 1.57 0.01 . 1 . . . . . . . . 6058 1 607 . 1 1 50 50 LYS HE2 H 1 2.63 0.01 . 1 . . . . . . . . 6058 1 608 . 1 1 50 50 LYS HE3 H 1 2.63 0.01 . 1 . . . . . . . . 6058 1 609 . 1 1 51 51 VAL H H 1 8.25 0.01 . 1 . . . . . . . . 6058 1 610 . 1 1 51 51 VAL N N 15 119.00 0.1 . 1 . . . . . . . . 6058 1 611 . 1 1 51 51 VAL CA C 13 61.10 0.1 . 1 . . . . . . . . 6058 1 612 . 1 1 51 51 VAL HA H 1 4.29 0.01 . 1 . . . . . . . . 6058 1 613 . 1 1 51 51 VAL C C 13 177.00 0.1 . 1 . . . . . . . . 6058 1 614 . 1 1 51 51 VAL CB C 13 36.10 0.1 . 1 . . . . . . . . 6058 1 615 . 1 1 51 51 VAL HB H 1 1.92 0.01 . 1 . . . . . . . . 6058 1 616 . 1 1 51 51 VAL CG1 C 13 20.90 0.1 . 1 . . . . . . . . 6058 1 617 . 1 1 51 51 VAL CG2 C 13 20.90 0.1 . 1 . . . . . . . . 6058 1 618 . 1 1 51 51 VAL HG11 H 1 0.95 0.01 . 1 . . . . . . . . 6058 1 619 . 1 1 51 51 VAL HG12 H 1 0.95 0.01 . 1 . . . . . . . . 6058 1 620 . 1 1 51 51 VAL HG13 H 1 0.95 0.01 . 1 . . . . . . . . 6058 1 621 . 1 1 51 51 VAL HG21 H 1 0.95 0.01 . 1 . . . . . . . . 6058 1 622 . 1 1 51 51 VAL HG22 H 1 0.95 0.01 . 1 . . . . . . . . 6058 1 623 . 1 1 51 51 VAL HG23 H 1 0.95 0.01 . 1 . . . . . . . . 6058 1 624 . 1 1 52 52 VAL H H 1 8.13 0.01 . 1 . . . . . . . . 6058 1 625 . 1 1 52 52 VAL N N 15 125.60 0.1 . 1 . . . . . . . . 6058 1 626 . 1 1 52 52 VAL CA C 13 60.80 0.1 . 1 . . . . . . . . 6058 1 627 . 1 1 52 52 VAL HA H 1 5.33 0.01 . 1 . . . . . . . . 6058 1 628 . 1 1 52 52 VAL C C 13 175.60 0.1 . 1 . . . . . . . . 6058 1 629 . 1 1 52 52 VAL CB C 13 32.90 0.1 . 1 . . . . . . . . 6058 1 630 . 1 1 52 52 VAL HB H 1 1.90 0.01 . 1 . . . . . . . . 6058 1 631 . 1 1 52 52 VAL CG1 C 13 22.50 0.1 . 1 . . . . . . . . 6058 1 632 . 1 1 52 52 VAL CG2 C 13 22.50 0.1 . 1 . . . . . . . . 6058 1 633 . 1 1 52 52 VAL HG11 H 1 0.85 0.01 . 1 . . . . . . . . 6058 1 634 . 1 1 52 52 VAL HG12 H 1 0.85 0.01 . 1 . . . . . . . . 6058 1 635 . 1 1 52 52 VAL HG13 H 1 0.85 0.01 . 1 . . . . . . . . 6058 1 636 . 1 1 52 52 VAL HG21 H 1 0.85 0.01 . 1 . . . . . . . . 6058 1 637 . 1 1 52 52 VAL HG22 H 1 0.85 0.01 . 1 . . . . . . . . 6058 1 638 . 1 1 52 52 VAL HG23 H 1 0.85 0.01 . 1 . . . . . . . . 6058 1 639 . 1 1 53 53 LEU H H 1 8.99 0.01 . 1 . . . . . . . . 6058 1 640 . 1 1 53 53 LEU N N 15 128.60 0.1 . 1 . . . . . . . . 6058 1 641 . 1 1 53 53 LEU CA C 13 53.00 0.1 . 1 . . . . . . . . 6058 1 642 . 1 1 53 53 LEU HA H 1 4.95 0.01 . 1 . . . . . . . . 6058 1 643 . 1 1 53 53 LEU C C 13 175.40 0.1 . 1 . . . . . . . . 6058 1 644 . 1 1 53 53 LEU CB C 13 45.70 0.1 . 1 . . . . . . . . 6058 1 645 . 1 1 53 53 LEU CG C 13 27.40 0.1 . 1 . . . . . . . . 6058 1 646 . 1 1 53 53 LEU CD1 C 13 26.40 0.1 . 2 . . . . . . . . 6058 1 647 . 1 1 53 53 LEU CD2 C 13 23.10 0.1 . 2 . . . . . . . . 6058 1 648 . 1 1 53 53 LEU HD11 H 1 0.83 0.01 . 2 . . . . . . . . 6058 1 649 . 1 1 53 53 LEU HD12 H 1 0.83 0.01 . 2 . . . . . . . . 6058 1 650 . 1 1 53 53 LEU HD13 H 1 0.83 0.01 . 2 . . . . . . . . 6058 1 651 . 1 1 53 53 LEU HD21 H 1 0.75 0.01 . 2 . . . . . . . . 6058 1 652 . 1 1 53 53 LEU HD22 H 1 0.75 0.01 . 2 . . . . . . . . 6058 1 653 . 1 1 53 53 LEU HD23 H 1 0.75 0.01 . 2 . . . . . . . . 6058 1 654 . 1 1 53 53 LEU HG H 1 1.48 0.01 . 1 . . . . . . . . 6058 1 655 . 1 1 53 53 LEU HB2 H 1 1.59 0.01 . 2 . . . . . . . . 6058 1 656 . 1 1 53 53 LEU HB3 H 1 1.37 0.01 . 2 . . . . . . . . 6058 1 657 . 1 1 54 54 LYS H H 1 8.22 0.01 . 1 . . . . . . . . 6058 1 658 . 1 1 54 54 LYS N N 15 117.40 0.1 . 1 . . . . . . . . 6058 1 659 . 1 1 54 54 LYS CA C 13 54.50 0.1 . 1 . . . . . . . . 6058 1 660 . 1 1 54 54 LYS HA H 1 5.51 0.01 . 1 . . . . . . . . 6058 1 661 . 1 1 54 54 LYS C C 13 174.90 0.1 . 1 . . . . . . . . 6058 1 662 . 1 1 54 54 LYS CB C 13 36.30 0.1 . 1 . . . . . . . . 6058 1 663 . 1 1 54 54 LYS CG C 13 23.80 0.1 . 1 . . . . . . . . 6058 1 664 . 1 1 54 54 LYS CD C 13 29.70 0.1 . 1 . . . . . . . . 6058 1 665 . 1 1 54 54 LYS CE C 13 41.70 0.1 . 1 . . . . . . . . 6058 1 666 . 1 1 54 54 LYS HB2 H 1 1.59 0.01 . 1 . . . . . . . . 6058 1 667 . 1 1 54 54 LYS HB3 H 1 1.59 0.01 . 1 . . . . . . . . 6058 1 668 . 1 1 54 54 LYS HG2 H 1 1.24 0.01 . 1 . . . . . . . . 6058 1 669 . 1 1 54 54 LYS HG3 H 1 1.24 0.01 . 1 . . . . . . . . 6058 1 670 . 1 1 54 54 LYS HD2 H 1 1.57 0.01 . 1 . . . . . . . . 6058 1 671 . 1 1 54 54 LYS HD3 H 1 1.57 0.01 . 1 . . . . . . . . 6058 1 672 . 1 1 54 54 LYS HE2 H 1 2.85 0.01 . 2 . . . . . . . . 6058 1 673 . 1 1 54 54 LYS HE3 H 1 2.96 0.01 . 2 . . . . . . . . 6058 1 674 . 1 1 55 55 VAL H H 1 8.12 0.01 . 1 . . . . . . . . 6058 1 675 . 1 1 55 55 VAL N N 15 111.70 0.1 . 1 . . . . . . . . 6058 1 676 . 1 1 55 55 VAL CA C 13 58.90 0.1 . 1 . . . . . . . . 6058 1 677 . 1 1 55 55 VAL HA H 1 4.79 0.01 . 1 . . . . . . . . 6058 1 678 . 1 1 55 55 VAL C C 13 174.20 0.1 . 1 . . . . . . . . 6058 1 679 . 1 1 55 55 VAL CB C 13 34.90 0.1 . 1 . . . . . . . . 6058 1 680 . 1 1 55 55 VAL HB H 1 2.43 0.01 . 1 . . . . . . . . 6058 1 681 . 1 1 55 55 VAL CG1 C 13 18.90 0.1 . 2 . . . . . . . . 6058 1 682 . 1 1 55 55 VAL CG2 C 13 22.50 0.1 . 2 . . . . . . . . 6058 1 683 . 1 1 55 55 VAL HG11 H 1 0.68 0.01 . 2 . . . . . . . . 6058 1 684 . 1 1 55 55 VAL HG12 H 1 0.68 0.01 . 2 . . . . . . . . 6058 1 685 . 1 1 55 55 VAL HG13 H 1 0.68 0.01 . 2 . . . . . . . . 6058 1 686 . 1 1 55 55 VAL HG21 H 1 0.80 0.01 . 2 . . . . . . . . 6058 1 687 . 1 1 55 55 VAL HG22 H 1 0.80 0.01 . 2 . . . . . . . . 6058 1 688 . 1 1 55 55 VAL HG23 H 1 0.80 0.01 . 2 . . . . . . . . 6058 1 689 . 1 1 56 56 LYS H H 1 8.50 0.01 . 1 . . . . . . . . 6058 1 690 . 1 1 56 56 LYS N N 15 117.80 0.1 . 1 . . . . . . . . 6058 1 691 . 1 1 56 56 LYS CA C 13 57.80 0.1 . 1 . . . . . . . . 6058 1 692 . 1 1 56 56 LYS HA H 1 4.35 0.01 . 1 . . . . . . . . 6058 1 693 . 1 1 56 56 LYS C C 13 174.90 0.1 . 1 . . . . . . . . 6058 1 694 . 1 1 56 56 LYS CB C 13 33.60 0.1 . 1 . . . . . . . . 6058 1 695 . 1 1 56 56 LYS CG C 13 24.40 0.1 . 1 . . . . . . . . 6058 1 696 . 1 1 56 56 LYS CD C 13 29.00 0.1 . 1 . . . . . . . . 6058 1 697 . 1 1 56 56 LYS CE C 13 41.70 0.1 . 1 . . . . . . . . 6058 1 698 . 1 1 56 56 LYS HB2 H 1 1.90 0.01 . 1 . . . . . . . . 6058 1 699 . 1 1 56 56 LYS HB3 H 1 1.90 0.01 . 1 . . . . . . . . 6058 1 700 . 1 1 56 56 LYS HG2 H 1 1.50 0.01 . 1 . . . . . . . . 6058 1 701 . 1 1 56 56 LYS HG3 H 1 1.50 0.01 . 1 . . . . . . . . 6058 1 702 . 1 1 56 56 LYS HD2 H 1 1.70 0.01 . 1 . . . . . . . . 6058 1 703 . 1 1 56 56 LYS HD3 H 1 1.70 0.01 . 1 . . . . . . . . 6058 1 704 . 1 1 56 56 LYS HE2 H 1 3.00 0.01 . 1 . . . . . . . . 6058 1 705 . 1 1 56 56 LYS HE3 H 1 3.00 0.01 . 1 . . . . . . . . 6058 1 706 . 1 1 57 57 SER H H 1 7.14 0.01 . 1 . . . . . . . . 6058 1 707 . 1 1 57 57 SER N N 15 107.60 0.1 . 1 . . . . . . . . 6058 1 708 . 1 1 57 57 SER CA C 13 56.70 0.1 . 1 . . . . . . . . 6058 1 709 . 1 1 57 57 SER HA H 1 4.84 0.01 . 1 . . . . . . . . 6058 1 710 . 1 1 57 57 SER C C 13 176.30 0.1 . 1 . . . . . . . . 6058 1 711 . 1 1 57 57 SER CB C 13 67.00 0.1 . 1 . . . . . . . . 6058 1 712 . 1 1 57 57 SER HB2 H 1 4.25 0.01 . 2 . . . . . . . . 6058 1 713 . 1 1 57 57 SER HB3 H 1 3.92 0.01 . 2 . . . . . . . . 6058 1 714 . 1 1 58 58 LEU H H 1 8.98 0.01 . 1 . . . . . . . . 6058 1 715 . 1 1 58 58 LEU N N 15 122.30 0.1 . 1 . . . . . . . . 6058 1 716 . 1 1 58 58 LEU CA C 13 57.70 0.1 . 1 . . . . . . . . 6058 1 717 . 1 1 58 58 LEU HA H 1 3.96 0.01 . 1 . . . . . . . . 6058 1 718 . 1 1 58 58 LEU C C 13 172.60 0.1 . 1 . . . . . . . . 6058 1 719 . 1 1 58 58 LEU CB C 13 41.30 0.1 . 1 . . . . . . . . 6058 1 720 . 1 1 58 58 LEU CG C 13 26.70 0.1 . 1 . . . . . . . . 6058 1 721 . 1 1 58 58 LEU CD1 C 13 25.40 0.1 . 2 . . . . . . . . 6058 1 722 . 1 1 58 58 LEU CD2 C 13 23.10 0.1 . 2 . . . . . . . . 6058 1 723 . 1 1 58 58 LEU HD11 H 1 0.99 0.01 . 2 . . . . . . . . 6058 1 724 . 1 1 58 58 LEU HD12 H 1 0.99 0.01 . 2 . . . . . . . . 6058 1 725 . 1 1 58 58 LEU HD13 H 1 0.99 0.01 . 2 . . . . . . . . 6058 1 726 . 1 1 58 58 LEU HD21 H 1 0.84 0.01 . 2 . . . . . . . . 6058 1 727 . 1 1 58 58 LEU HD22 H 1 0.84 0.01 . 2 . . . . . . . . 6058 1 728 . 1 1 58 58 LEU HD23 H 1 0.84 0.01 . 2 . . . . . . . . 6058 1 729 . 1 1 58 58 LEU HG H 1 1.54 0.01 . 1 . . . . . . . . 6058 1 730 . 1 1 58 58 LEU HB2 H 1 1.87 0.01 . 2 . . . . . . . . 6058 1 731 . 1 1 58 58 LEU HB3 H 1 1.43 0.01 . 2 . . . . . . . . 6058 1 732 . 1 1 59 59 GLU H H 1 8.77 0.01 . 1 . . . . . . . . 6058 1 733 . 1 1 59 59 GLU N N 15 118.30 0.1 . 1 . . . . . . . . 6058 1 734 . 1 1 59 59 GLU CA C 13 60.50 0.1 . 1 . . . . . . . . 6058 1 735 . 1 1 59 59 GLU HA H 1 3.87 0.01 . 1 . . . . . . . . 6058 1 736 . 1 1 59 59 GLU C C 13 170.30 0.1 . 1 . . . . . . . . 6058 1 737 . 1 1 59 59 GLU CB C 13 28.70 0.1 . 1 . . . . . . . . 6058 1 738 . 1 1 59 59 GLU CG C 13 36.20 0.1 . 1 . . . . . . . . 6058 1 739 . 1 1 59 59 GLU HB2 H 1 2.08 0.01 . 2 . . . . . . . . 6058 1 740 . 1 1 59 59 GLU HB3 H 1 1.92 0.01 . 2 . . . . . . . . 6058 1 741 . 1 1 59 59 GLU HG2 H 1 2.37 0.01 . 2 . . . . . . . . 6058 1 742 . 1 1 59 59 GLU HG3 H 1 2.27 0.01 . 2 . . . . . . . . 6058 1 743 . 1 1 60 60 GLU H H 1 7.91 0.01 . 1 . . . . . . . . 6058 1 744 . 1 1 60 60 GLU N N 15 119.50 0.1 . 1 . . . . . . . . 6058 1 745 . 1 1 60 60 GLU CA C 13 59.40 0.1 . 1 . . . . . . . . 6058 1 746 . 1 1 60 60 GLU HA H 1 4.06 0.01 . 1 . . . . . . . . 6058 1 747 . 1 1 60 60 GLU C C 13 171.40 0.1 . 1 . . . . . . . . 6058 1 748 . 1 1 60 60 GLU CB C 13 30.60 0.1 . 1 . . . . . . . . 6058 1 749 . 1 1 60 60 GLU CG C 13 36.80 0.1 . 1 . . . . . . . . 6058 1 750 . 1 1 60 60 GLU HB2 H 1 2.00 0.01 . 1 . . . . . . . . 6058 1 751 . 1 1 60 60 GLU HB3 H 1 2.00 0.01 . 1 . . . . . . . . 6058 1 752 . 1 1 60 60 GLU HG2 H 1 2.34 0.01 . 2 . . . . . . . . 6058 1 753 . 1 1 60 60 GLU HG3 H 1 2.27 0.01 . 2 . . . . . . . . 6058 1 754 . 1 1 61 61 LEU H H 1 7.62 0.01 . 1 . . . . . . . . 6058 1 755 . 1 1 61 61 LEU N N 15 121.40 0.1 . 1 . . . . . . . . 6058 1 756 . 1 1 61 61 LEU CA C 13 59.00 0.1 . 1 . . . . . . . . 6058 1 757 . 1 1 61 61 LEU HA H 1 3.74 0.01 . 1 . . . . . . . . 6058 1 758 . 1 1 61 61 LEU C C 13 172.00 0.1 . 1 . . . . . . . . 6058 1 759 . 1 1 61 61 LEU CB C 13 42.40 0.1 . 1 . . . . . . . . 6058 1 760 . 1 1 61 61 LEU CG C 13 26.50 0.1 . 1 . . . . . . . . 6058 1 761 . 1 1 61 61 LEU CD1 C 13 25.80 0.1 . 2 . . . . . . . . 6058 1 762 . 1 1 61 61 LEU CD2 C 13 26.40 0.1 . 2 . . . . . . . . 6058 1 763 . 1 1 61 61 LEU HD11 H 1 0.66 0.01 . 2 . . . . . . . . 6058 1 764 . 1 1 61 61 LEU HD12 H 1 0.66 0.01 . 2 . . . . . . . . 6058 1 765 . 1 1 61 61 LEU HD13 H 1 0.66 0.01 . 2 . . . . . . . . 6058 1 766 . 1 1 61 61 LEU HD21 H 1 0.59 0.01 . 2 . . . . . . . . 6058 1 767 . 1 1 61 61 LEU HD22 H 1 0.59 0.01 . 2 . . . . . . . . 6058 1 768 . 1 1 61 61 LEU HD23 H 1 0.59 0.01 . 2 . . . . . . . . 6058 1 769 . 1 1 61 61 LEU HG H 1 1.44 0.01 . 1 . . . . . . . . 6058 1 770 . 1 1 61 61 LEU HB2 H 1 2.09 0.01 . 2 . . . . . . . . 6058 1 771 . 1 1 61 61 LEU HB3 H 1 1.54 0.01 . 2 . . . . . . . . 6058 1 772 . 1 1 62 62 LEU H H 1 8.63 0.01 . 1 . . . . . . . . 6058 1 773 . 1 1 62 62 LEU N N 15 117.10 0.1 . 1 . . . . . . . . 6058 1 774 . 1 1 62 62 LEU CA C 13 57.10 0.1 . 1 . . . . . . . . 6058 1 775 . 1 1 62 62 LEU HA H 1 3.91 0.01 . 1 . . . . . . . . 6058 1 776 . 1 1 62 62 LEU C C 13 170.40 0.1 . 1 . . . . . . . . 6058 1 777 . 1 1 62 62 LEU CB C 13 40.60 0.1 . 1 . . . . . . . . 6058 1 778 . 1 1 62 62 LEU CG C 13 26.40 0.1 . 1 . . . . . . . . 6058 1 779 . 1 1 62 62 LEU CD1 C 13 25.10 0.1 . 2 . . . . . . . . 6058 1 780 . 1 1 62 62 LEU CD2 C 13 21.20 0.1 . 2 . . . . . . . . 6058 1 781 . 1 1 62 62 LEU HD11 H 1 0.85 0.01 . 2 . . . . . . . . 6058 1 782 . 1 1 62 62 LEU HD12 H 1 0.85 0.01 . 2 . . . . . . . . 6058 1 783 . 1 1 62 62 LEU HD13 H 1 0.85 0.01 . 2 . . . . . . . . 6058 1 784 . 1 1 62 62 LEU HD21 H 1 0.71 0.01 . 2 . . . . . . . . 6058 1 785 . 1 1 62 62 LEU HD22 H 1 0.71 0.01 . 2 . . . . . . . . 6058 1 786 . 1 1 62 62 LEU HD23 H 1 0.71 0.01 . 2 . . . . . . . . 6058 1 787 . 1 1 62 62 LEU HG H 1 1.76 0.01 . 1 . . . . . . . . 6058 1 788 . 1 1 62 62 LEU HB2 H 1 1.82 0.01 . 2 . . . . . . . . 6058 1 789 . 1 1 62 62 LEU HB3 H 1 1.29 0.01 . 2 . . . . . . . . 6058 1 790 . 1 1 63 63 GLY H H 1 8.14 0.01 . 1 . . . . . . . . 6058 1 791 . 1 1 63 63 GLY N N 15 109.20 0.1 . 1 . . . . . . . . 6058 1 792 . 1 1 63 63 GLY CA C 13 47.40 0.1 . 1 . . . . . . . . 6058 1 793 . 1 1 63 63 GLY C C 13 173.50 0.1 . 1 . . . . . . . . 6058 1 794 . 1 1 63 63 GLY HA2 H 1 3.95 0.01 . 1 . . . . . . . . 6058 1 795 . 1 1 63 63 GLY HA3 H 1 3.95 0.01 . 1 . . . . . . . . 6058 1 796 . 1 1 64 64 ILE H H 1 7.77 0.01 . 1 . . . . . . . . 6058 1 797 . 1 1 64 64 ILE N N 15 123.60 0.1 . 1 . . . . . . . . 6058 1 798 . 1 1 64 64 ILE CA C 13 63.50 0.1 . 1 . . . . . . . . 6058 1 799 . 1 1 64 64 ILE HA H 1 3.76 0.01 . 1 . . . . . . . . 6058 1 800 . 1 1 64 64 ILE C C 13 173.20 0.1 . 1 . . . . . . . . 6058 1 801 . 1 1 64 64 ILE CB C 13 36.60 0.1 . 1 . . . . . . . . 6058 1 802 . 1 1 64 64 ILE HB H 1 2.09 0.01 . 1 . . . . . . . . 6058 1 803 . 1 1 64 64 ILE CG2 C 13 17.60 0.1 . 1 . . . . . . . . 6058 1 804 . 1 1 64 64 ILE HG21 H 1 0.73 0.01 . 1 . . . . . . . . 6058 1 805 . 1 1 64 64 ILE HG22 H 1 0.73 0.01 . 1 . . . . . . . . 6058 1 806 . 1 1 64 64 ILE HG23 H 1 0.73 0.01 . 1 . . . . . . . . 6058 1 807 . 1 1 64 64 ILE CG1 C 13 28.70 0.1 . 1 . . . . . . . . 6058 1 808 . 1 1 64 64 ILE CD1 C 13 13.10 0.1 . 1 . . . . . . . . 6058 1 809 . 1 1 64 64 ILE HD11 H 1 0.78 0.01 . 1 . . . . . . . . 6058 1 810 . 1 1 64 64 ILE HD12 H 1 0.78 0.01 . 1 . . . . . . . . 6058 1 811 . 1 1 64 64 ILE HD13 H 1 0.78 0.01 . 1 . . . . . . . . 6058 1 812 . 1 1 64 64 ILE HG12 H 1 1.51 0.01 . 2 . . . . . . . . 6058 1 813 . 1 1 64 64 ILE HG13 H 1 1.39 0.01 . 2 . . . . . . . . 6058 1 814 . 1 1 65 65 LYS H H 1 7.75 0.01 . 1 . . . . . . . . 6058 1 815 . 1 1 65 65 LYS N N 15 120.70 0.1 . 1 . . . . . . . . 6058 1 816 . 1 1 65 65 LYS CA C 13 60.50 0.1 . 1 . . . . . . . . 6058 1 817 . 1 1 65 65 LYS HA H 1 3.69 0.01 . 1 . . . . . . . . 6058 1 818 . 1 1 65 65 LYS C C 13 172.70 0.1 . 1 . . . . . . . . 6058 1 819 . 1 1 65 65 LYS CB C 13 33.40 0.1 . 1 . . . . . . . . 6058 1 820 . 1 1 65 65 LYS CG C 13 24.80 0.1 . 1 . . . . . . . . 6058 1 821 . 1 1 65 65 LYS CD C 13 30.00 0.1 . 1 . . . . . . . . 6058 1 822 . 1 1 65 65 LYS CE C 13 41.70 0.1 . 1 . . . . . . . . 6058 1 823 . 1 1 65 65 LYS HB2 H 1 2.00 0.01 . 2 . . . . . . . . 6058 1 824 . 1 1 65 65 LYS HB3 H 1 1.71 0.01 . 2 . . . . . . . . 6058 1 825 . 1 1 65 65 LYS HG2 H 1 1.22 0.01 . 1 . . . . . . . . 6058 1 826 . 1 1 65 65 LYS HG3 H 1 1.22 0.01 . 1 . . . . . . . . 6058 1 827 . 1 1 65 65 LYS HD2 H 1 1.57 0.01 . 1 . . . . . . . . 6058 1 828 . 1 1 65 65 LYS HD3 H 1 1.57 0.01 . 1 . . . . . . . . 6058 1 829 . 1 1 65 65 LYS HE2 H 1 2.90 0.01 . 1 . . . . . . . . 6058 1 830 . 1 1 65 65 LYS HE3 H 1 2.90 0.01 . 1 . . . . . . . . 6058 1 831 . 1 1 66 66 HIS H H 1 8.33 0.01 . 1 . . . . . . . . 6058 1 832 . 1 1 66 66 HIS N N 15 115.30 0.1 . 1 . . . . . . . . 6058 1 833 . 1 1 66 66 HIS CA C 13 58.30 0.1 . 1 . . . . . . . . 6058 1 834 . 1 1 66 66 HIS HA H 1 4.54 0.01 . 1 . . . . . . . . 6058 1 835 . 1 1 66 66 HIS C C 13 172.70 0.1 . 1 . . . . . . . . 6058 1 836 . 1 1 66 66 HIS CB C 13 28.30 0.1 . 1 . . . . . . . . 6058 1 837 . 1 1 66 66 HIS HB2 H 1 3.36 0.01 . 1 . . . . . . . . 6058 1 838 . 1 1 66 66 HIS HB3 H 1 3.36 0.01 . 1 . . . . . . . . 6058 1 839 . 1 1 67 67 LYS H H 1 8.26 0.01 . 1 . . . . . . . . 6058 1 840 . 1 1 67 67 LYS N N 15 121.60 0.1 . 1 . . . . . . . . 6058 1 841 . 1 1 67 67 LYS CA C 13 59.40 0.1 . 1 . . . . . . . . 6058 1 842 . 1 1 67 67 LYS HA H 1 4.03 0.01 . 1 . . . . . . . . 6058 1 843 . 1 1 67 67 LYS C C 13 171.10 0.1 . 1 . . . . . . . . 6058 1 844 . 1 1 67 67 LYS CB C 13 32.40 0.1 . 1 . . . . . . . . 6058 1 845 . 1 1 67 67 LYS CG C 13 25.10 0.1 . 1 . . . . . . . . 6058 1 846 . 1 1 67 67 LYS CD C 13 29.00 0.1 . 1 . . . . . . . . 6058 1 847 . 1 1 67 67 LYS CE C 13 42.10 0.1 . 1 . . . . . . . . 6058 1 848 . 1 1 67 67 LYS HB2 H 1 1.92 0.01 . 1 . . . . . . . . 6058 1 849 . 1 1 67 67 LYS HB3 H 1 1.92 0.01 . 1 . . . . . . . . 6058 1 850 . 1 1 67 67 LYS HG2 H 1 1.46 0.01 . 1 . . . . . . . . 6058 1 851 . 1 1 67 67 LYS HG3 H 1 1.46 0.01 . 1 . . . . . . . . 6058 1 852 . 1 1 67 67 LYS HD2 H 1 1.74 0.01 . 1 . . . . . . . . 6058 1 853 . 1 1 67 67 LYS HD3 H 1 1.74 0.01 . 1 . . . . . . . . 6058 1 854 . 1 1 67 67 LYS HE2 H 1 2.95 0.01 . 1 . . . . . . . . 6058 1 855 . 1 1 67 67 LYS HE3 H 1 2.95 0.01 . 1 . . . . . . . . 6058 1 856 . 1 1 68 68 ALA H H 1 8.43 0.01 . 1 . . . . . . . . 6058 1 857 . 1 1 68 68 ALA N N 15 120.80 0.1 . 1 . . . . . . . . 6058 1 858 . 1 1 68 68 ALA CA C 13 55.50 0.1 . 1 . . . . . . . . 6058 1 859 . 1 1 68 68 ALA HA H 1 3.96 0.01 . 1 . . . . . . . . 6058 1 860 . 1 1 68 68 ALA C C 13 170.90 0.1 . 1 . . . . . . . . 6058 1 861 . 1 1 68 68 ALA CB C 13 18.30 0.1 . 1 . . . . . . . . 6058 1 862 . 1 1 68 68 ALA HB1 H 1 1.37 0.01 . 1 . . . . . . . . 6058 1 863 . 1 1 68 68 ALA HB2 H 1 1.37 0.01 . 1 . . . . . . . . 6058 1 864 . 1 1 68 68 ALA HB3 H 1 1.37 0.01 . 1 . . . . . . . . 6058 1 865 . 1 1 69 69 GLU H H 1 8.32 0.01 . 1 . . . . . . . . 6058 1 866 . 1 1 69 69 GLU N N 15 118.60 0.1 . 1 . . . . . . . . 6058 1 867 . 1 1 69 69 GLU CA C 13 59.40 0.1 . 1 . . . . . . . . 6058 1 868 . 1 1 69 69 GLU HA H 1 4.15 0.01 . 1 . . . . . . . . 6058 1 869 . 1 1 69 69 GLU C C 13 169.30 0.1 . 1 . . . . . . . . 6058 1 870 . 1 1 69 69 GLU CB C 13 28.90 0.1 . 1 . . . . . . . . 6058 1 871 . 1 1 69 69 GLU CG C 13 36.50 0.1 . 1 . . . . . . . . 6058 1 872 . 1 1 69 69 GLU HB2 H 1 2.25 0.01 . 2 . . . . . . . . 6058 1 873 . 1 1 69 69 GLU HB3 H 1 2.05 0.01 . 2 . . . . . . . . 6058 1 874 . 1 1 69 69 GLU HG2 H 1 2.55 0.01 . 2 . . . . . . . . 6058 1 875 . 1 1 69 69 GLU HG3 H 1 2.44 0.01 . 2 . . . . . . . . 6058 1 876 . 1 1 70 70 SER H H 1 8.09 0.01 . 1 . . . . . . . . 6058 1 877 . 1 1 70 70 SER N N 15 117.60 0.1 . 1 . . . . . . . . 6058 1 878 . 1 1 70 70 SER CA C 13 61.50 0.1 . 1 . . . . . . . . 6058 1 879 . 1 1 70 70 SER HA H 1 4.28 0.01 . 1 . . . . . . . . 6058 1 880 . 1 1 70 70 SER C C 13 175.40 0.1 . 1 . . . . . . . . 6058 1 881 . 1 1 70 70 SER CB C 13 62.80 0.1 . 1 . . . . . . . . 6058 1 882 . 1 1 70 70 SER HB2 H 1 4.01 0.01 . 2 . . . . . . . . 6058 1 883 . 1 1 70 70 SER HB3 H 1 3.92 0.01 . 2 . . . . . . . . 6058 1 884 . 1 1 71 71 LEU H H 1 7.18 0.01 . 1 . . . . . . . . 6058 1 885 . 1 1 71 71 LEU N N 15 120.90 0.1 . 1 . . . . . . . . 6058 1 886 . 1 1 71 71 LEU CA C 13 54.60 0.1 . 1 . . . . . . . . 6058 1 887 . 1 1 71 71 LEU HA H 1 4.43 0.01 . 1 . . . . . . . . 6058 1 888 . 1 1 71 71 LEU C C 13 173.40 0.1 . 1 . . . . . . . . 6058 1 889 . 1 1 71 71 LEU CB C 13 42.90 0.1 . 1 . . . . . . . . 6058 1 890 . 1 1 71 71 LEU CG C 13 27.10 0.1 . 1 . . . . . . . . 6058 1 891 . 1 1 71 71 LEU CD1 C 13 23.10 0.1 . 2 . . . . . . . . 6058 1 892 . 1 1 71 71 LEU CD2 C 13 25.80 0.1 . 2 . . . . . . . . 6058 1 893 . 1 1 71 71 LEU HD11 H 1 0.79 0.01 . 1 . . . . . . . . 6058 1 894 . 1 1 71 71 LEU HD12 H 1 0.79 0.01 . 1 . . . . . . . . 6058 1 895 . 1 1 71 71 LEU HD13 H 1 0.79 0.01 . 1 . . . . . . . . 6058 1 896 . 1 1 71 71 LEU HD21 H 1 0.79 0.01 . 1 . . . . . . . . 6058 1 897 . 1 1 71 71 LEU HD22 H 1 0.79 0.01 . 1 . . . . . . . . 6058 1 898 . 1 1 71 71 LEU HD23 H 1 0.79 0.01 . 1 . . . . . . . . 6058 1 899 . 1 1 71 71 LEU HG H 1 1.70 0.01 . 1 . . . . . . . . 6058 1 900 . 1 1 71 71 LEU HB2 H 1 1.66 0.01 . 2 . . . . . . . . 6058 1 901 . 1 1 72 72 GLY H H 1 7.86 0.01 . 1 . . . . . . . . 6058 1 902 . 1 1 72 72 GLY N N 15 107.40 0.1 . 1 . . . . . . . . 6058 1 903 . 1 1 72 72 GLY CA C 13 45.80 0.1 . 1 . . . . . . . . 6058 1 904 . 1 1 72 72 GLY C C 13 175.80 0.1 . 1 . . . . . . . . 6058 1 905 . 1 1 72 72 GLY HA2 H 1 4.08 0.01 . 2 . . . . . . . . 6058 1 906 . 1 1 72 72 GLY HA3 H 1 3.76 0.01 . 2 . . . . . . . . 6058 1 907 . 1 1 73 73 LEU H H 1 7.43 0.01 . 1 . . . . . . . . 6058 1 908 . 1 1 73 73 LEU N N 15 119.90 0.1 . 1 . . . . . . . . 6058 1 909 . 1 1 73 73 LEU CA C 13 53.80 0.1 . 1 . . . . . . . . 6058 1 910 . 1 1 73 73 LEU HA H 1 4.25 0.01 . 1 . . . . . . . . 6058 1 911 . 1 1 73 73 LEU C C 13 174.00 0.1 . 1 . . . . . . . . 6058 1 912 . 1 1 73 73 LEU CB C 13 42.80 0.1 . 1 . . . . . . . . 6058 1 913 . 1 1 73 73 LEU CG C 13 27.30 0.1 . 1 . . . . . . . . 6058 1 914 . 1 1 73 73 LEU CD1 C 13 26.40 0.1 . 2 . . . . . . . . 6058 1 915 . 1 1 73 73 LEU CD2 C 13 24.10 0.1 . 2 . . . . . . . . 6058 1 916 . 1 1 73 73 LEU HD11 H 1 0.76 0.01 . 2 . . . . . . . . 6058 1 917 . 1 1 73 73 LEU HD12 H 1 0.76 0.01 . 2 . . . . . . . . 6058 1 918 . 1 1 73 73 LEU HD13 H 1 0.76 0.01 . 2 . . . . . . . . 6058 1 919 . 1 1 73 73 LEU HD21 H 1 0.84 0.01 . 2 . . . . . . . . 6058 1 920 . 1 1 73 73 LEU HD22 H 1 0.84 0.01 . 2 . . . . . . . . 6058 1 921 . 1 1 73 73 LEU HD23 H 1 0.84 0.01 . 2 . . . . . . . . 6058 1 922 . 1 1 73 73 LEU HG H 1 1.48 0.01 . 1 . . . . . . . . 6058 1 923 . 1 1 73 73 LEU HB2 H 1 1.43 0.01 . 2 . . . . . . . . 6058 1 924 . 1 1 73 73 LEU HB3 H 1 1.13 0.01 . 2 . . . . . . . . 6058 1 925 . 1 1 74 74 VAL H H 1 9.06 0.01 . 1 . . . . . . . . 6058 1 926 . 1 1 74 74 VAL N N 15 123.80 0.1 . 1 . . . . . . . . 6058 1 927 . 1 1 74 74 VAL CA C 13 64.10 0.1 . 1 . . . . . . . . 6058 1 928 . 1 1 74 74 VAL HA H 1 3.75 0.01 . 1 . . . . . . . . 6058 1 929 . 1 1 74 74 VAL C C 13 174.80 0.1 . 1 . . . . . . . . 6058 1 930 . 1 1 74 74 VAL CB C 13 32.00 0.1 . 1 . . . . . . . . 6058 1 931 . 1 1 74 74 VAL HB H 1 1.67 0.01 . 1 . . . . . . . . 6058 1 932 . 1 1 74 74 VAL CG1 C 13 21.50 0.1 . 2 . . . . . . . . 6058 1 933 . 1 1 74 74 VAL CG2 C 13 22.80 0.1 . 2 . . . . . . . . 6058 1 934 . 1 1 74 74 VAL HG11 H 1 1.00 0.01 . 2 . . . . . . . . 6058 1 935 . 1 1 74 74 VAL HG12 H 1 1.00 0.01 . 2 . . . . . . . . 6058 1 936 . 1 1 74 74 VAL HG13 H 1 1.00 0.01 . 2 . . . . . . . . 6058 1 937 . 1 1 74 74 VAL HG21 H 1 0.72 0.01 . 2 . . . . . . . . 6058 1 938 . 1 1 74 74 VAL HG22 H 1 0.72 0.01 . 2 . . . . . . . . 6058 1 939 . 1 1 74 74 VAL HG23 H 1 0.72 0.01 . 2 . . . . . . . . 6058 1 940 . 1 1 75 75 THR H H 1 7.78 0.01 . 1 . . . . . . . . 6058 1 941 . 1 1 75 75 THR N N 15 116.60 0.1 . 1 . . . . . . . . 6058 1 942 . 1 1 75 75 THR CA C 13 58.80 0.1 . 1 . . . . . . . . 6058 1 943 . 1 1 75 75 THR HA H 1 5.70 0.01 . 1 . . . . . . . . 6058 1 944 . 1 1 75 75 THR C C 13 176.40 0.1 . 1 . . . . . . . . 6058 1 945 . 1 1 75 75 THR CB C 13 73.40 0.1 . 1 . . . . . . . . 6058 1 946 . 1 1 75 75 THR HB H 1 3.96 0.01 . 1 . . . . . . . . 6058 1 947 . 1 1 75 75 THR CG2 C 13 22.20 0.1 . 1 . . . . . . . . 6058 1 948 . 1 1 75 75 THR HG21 H 1 1.20 0.01 . 1 . . . . . . . . 6058 1 949 . 1 1 75 75 THR HG22 H 1 1.20 0.01 . 1 . . . . . . . . 6058 1 950 . 1 1 75 75 THR HG23 H 1 1.20 0.01 . 1 . . . . . . . . 6058 1 951 . 1 1 76 76 GLY H H 1 8.02 0.01 . 1 . . . . . . . . 6058 1 952 . 1 1 76 76 GLY N N 15 105.20 0.1 . 1 . . . . . . . . 6058 1 953 . 1 1 76 76 GLY CA C 13 44.60 0.1 . 1 . . . . . . . . 6058 1 954 . 1 1 76 76 GLY C C 13 179.30 0.1 . 1 . . . . . . . . 6058 1 955 . 1 1 76 76 GLY HA2 H 1 4.41 0.01 . 2 . . . . . . . . 6058 1 956 . 1 1 76 76 GLY HA3 H 1 3.30 0.01 . 2 . . . . . . . . 6058 1 957 . 1 1 77 77 LEU H H 1 8.47 0.01 . 1 . . . . . . . . 6058 1 958 . 1 1 77 77 LEU N N 15 121.70 0.1 . 1 . . . . . . . . 6058 1 959 . 1 1 77 77 LEU CA C 13 54.00 0.1 . 1 . . . . . . . . 6058 1 960 . 1 1 77 77 LEU HA H 1 4.98 0.01 . 1 . . . . . . . . 6058 1 961 . 1 1 77 77 LEU C C 13 173.50 0.1 . 1 . . . . . . . . 6058 1 962 . 1 1 77 77 LEU CB C 13 45.10 0.1 . 1 . . . . . . . . 6058 1 963 . 1 1 77 77 LEU CG C 13 27.40 0.1 . 1 . . . . . . . . 6058 1 964 . 1 1 77 77 LEU CD1 C 13 24.80 0.1 . 2 . . . . . . . . 6058 1 965 . 1 1 77 77 LEU CD2 C 13 26.40 0.1 . 2 . . . . . . . . 6058 1 966 . 1 1 77 77 LEU HD11 H 1 0.80 0.01 . 1 . . . . . . . . 6058 1 967 . 1 1 77 77 LEU HD12 H 1 0.80 0.01 . 1 . . . . . . . . 6058 1 968 . 1 1 77 77 LEU HD13 H 1 0.80 0.01 . 1 . . . . . . . . 6058 1 969 . 1 1 77 77 LEU HD21 H 1 0.80 0.01 . 1 . . . . . . . . 6058 1 970 . 1 1 77 77 LEU HD22 H 1 0.80 0.01 . 1 . . . . . . . . 6058 1 971 . 1 1 77 77 LEU HD23 H 1 0.80 0.01 . 1 . . . . . . . . 6058 1 972 . 1 1 77 77 LEU HG H 1 1.71 0.01 . 1 . . . . . . . . 6058 1 973 . 1 1 77 77 LEU HB2 H 1 1.95 0.01 . 2 . . . . . . . . 6058 1 974 . 1 1 77 77 LEU HB3 H 1 1.40 0.01 . 2 . . . . . . . . 6058 1 975 . 1 1 78 78 VAL H H 1 8.15 0.01 . 1 . . . . . . . . 6058 1 976 . 1 1 78 78 VAL N N 15 121.20 0.1 . 1 . . . . . . . . 6058 1 977 . 1 1 78 78 VAL CA C 13 62.50 0.1 . 1 . . . . . . . . 6058 1 978 . 1 1 78 78 VAL HA H 1 3.96 0.01 . 1 . . . . . . . . 6058 1 979 . 1 1 78 78 VAL C C 13 176.30 0.1 . 1 . . . . . . . . 6058 1 980 . 1 1 78 78 VAL CB C 13 33.00 0.1 . 1 . . . . . . . . 6058 1 981 . 1 1 78 78 VAL HB H 1 2.05 0.01 . 1 . . . . . . . . 6058 1 982 . 1 1 78 78 VAL CG1 C 13 21.20 0.1 . 2 . . . . . . . . 6058 1 983 . 1 1 78 78 VAL CG2 C 13 22.50 0.1 . 2 . . . . . . . . 6058 1 984 . 1 1 78 78 VAL HG11 H 1 0.71 0.01 . 2 . . . . . . . . 6058 1 985 . 1 1 78 78 VAL HG12 H 1 0.71 0.01 . 2 . . . . . . . . 6058 1 986 . 1 1 78 78 VAL HG13 H 1 0.71 0.01 . 2 . . . . . . . . 6058 1 987 . 1 1 78 78 VAL HG21 H 1 0.90 0.01 . 2 . . . . . . . . 6058 1 988 . 1 1 78 78 VAL HG22 H 1 0.90 0.01 . 2 . . . . . . . . 6058 1 989 . 1 1 78 78 VAL HG23 H 1 0.90 0.01 . 2 . . . . . . . . 6058 1 990 . 1 1 79 79 GLN H H 1 7.83 0.01 . 1 . . . . . . . . 6058 1 991 . 1 1 79 79 GLN N N 15 124.80 0.1 . 1 . . . . . . . . 6058 1 992 . 1 1 79 79 GLN CA C 13 54.50 0.1 . 1 . . . . . . . . 6058 1 993 . 1 1 79 79 GLN HA H 1 4.68 0.01 . 1 . . . . . . . . 6058 1 994 . 1 1 79 79 GLN C C 13 176.10 0.1 . 1 . . . . . . . . 6058 1 995 . 1 1 79 79 GLN CB C 13 32.50 0.1 . 1 . . . . . . . . 6058 1 996 . 1 1 79 79 GLN CG C 13 34.20 0.1 . 1 . . . . . . . . 6058 1 997 . 1 1 79 79 GLN NE2 N 15 111.60 0.1 . 1 . . . . . . . . 6058 1 998 . 1 1 79 79 GLN HE21 H 1 6.73 0.01 . 2 . . . . . . . . 6058 1 999 . 1 1 79 79 GLN HE22 H 1 7.31 0.01 . 2 . . . . . . . . 6058 1 1000 . 1 1 79 79 GLN HB2 H 1 1.82 0.01 . 2 . . . . . . . . 6058 1 1001 . 1 1 79 79 GLN HB3 H 1 1.73 0.01 . 2 . . . . . . . . 6058 1 1002 . 1 1 79 79 GLN HG2 H 1 2.09 0.01 . 2 . . . . . . . . 6058 1 1003 . 1 1 79 79 GLN HG3 H 1 1.91 0.01 . 2 . . . . . . . . 6058 1 1004 . 1 1 80 80 ASP H H 1 9.19 0.01 . 1 . . . . . . . . 6058 1 1005 . 1 1 80 80 ASP N N 15 123.50 0.1 . 1 . . . . . . . . 6058 1 1006 . 1 1 80 80 ASP CA C 13 53.40 0.1 . 1 . . . . . . . . 6058 1 1007 . 1 1 80 80 ASP HA H 1 4.74 0.01 . 1 . . . . . . . . 6058 1 1008 . 1 1 80 80 ASP C C 13 174.20 0.1 . 1 . . . . . . . . 6058 1 1009 . 1 1 80 80 ASP CB C 13 43.30 0.1 . 1 . . . . . . . . 6058 1 1010 . 1 1 80 80 ASP HB2 H 1 2.88 0.01 . 2 . . . . . . . . 6058 1 1011 . 1 1 80 80 ASP HB3 H 1 2.74 0.01 . 2 . . . . . . . . 6058 1 1012 . 1 1 81 81 ALA H H 1 8.69 0.01 . 1 . . . . . . . . 6058 1 1013 . 1 1 81 81 ALA N N 15 128.60 0.1 . 1 . . . . . . . . 6058 1 1014 . 1 1 81 81 ALA CA C 13 53.70 0.1 . 1 . . . . . . . . 6058 1 1015 . 1 1 81 81 ALA HA H 1 4.25 0.01 . 1 . . . . . . . . 6058 1 1016 . 1 1 81 81 ALA C C 13 171.80 0.1 . 1 . . . . . . . . 6058 1 1017 . 1 1 81 81 ALA CB C 13 18.60 0.1 . 1 . . . . . . . . 6058 1 1018 . 1 1 81 81 ALA HB1 H 1 1.43 0.01 . 1 . . . . . . . . 6058 1 1019 . 1 1 81 81 ALA HB2 H 1 1.43 0.01 . 1 . . . . . . . . 6058 1 1020 . 1 1 81 81 ALA HB3 H 1 1.43 0.01 . 1 . . . . . . . . 6058 1 1021 . 1 1 82 82 GLY H H 1 8.79 0.01 . 1 . . . . . . . . 6058 1 1022 . 1 1 82 82 GLY N N 15 105.40 0.1 . 1 . . . . . . . . 6058 1 1023 . 1 1 82 82 GLY CA C 13 45.70 0.1 . 1 . . . . . . . . 6058 1 1024 . 1 1 82 82 GLY C C 13 176.70 0.1 . 1 . . . . . . . . 6058 1 1025 . 1 1 82 82 GLY HA2 H 1 4.14 0.01 . 2 . . . . . . . . 6058 1 1026 . 1 1 82 82 GLY HA3 H 1 3.71 0.01 . 2 . . . . . . . . 6058 1 1027 . 1 1 87 87 PRO CA C 13 57.80 0.1 . 1 . . . . . . . . 6058 1 1028 . 1 1 87 87 PRO HA H 1 4.85 0.01 . 1 . . . . . . . . 6058 1 1029 . 1 1 87 87 PRO CB C 13 32.30 0.1 . 1 . . . . . . . . 6058 1 1030 . 1 1 87 87 PRO CG C 13 27.80 0.1 . 1 . . . . . . . . 6058 1 1031 . 1 1 87 87 PRO CD C 13 50.60 0.1 . 1 . . . . . . . . 6058 1 1032 . 1 1 87 87 PRO HB2 H 1 2.29 0.01 . 1 . . . . . . . . 6058 1 1033 . 1 1 87 87 PRO HB3 H 1 2.29 0.01 . 1 . . . . . . . . 6058 1 1034 . 1 1 87 87 PRO HG2 H 1 1.99 0.01 . 1 . . . . . . . . 6058 1 1035 . 1 1 87 87 PRO HG3 H 1 1.99 0.01 . 1 . . . . . . . . 6058 1 1036 . 1 1 87 87 PRO HD2 H 1 3.56 0.01 . 2 . . . . . . . . 6058 1 1037 . 1 1 87 87 PRO HD3 H 1 3.84 0.01 . 2 . . . . . . . . 6058 1 1038 . 1 1 88 88 PRO CA C 13 64.00 0.1 . 1 . . . . . . . . 6058 1 1039 . 1 1 88 88 PRO HA H 1 4.28 0.01 . 1 . . . . . . . . 6058 1 1040 . 1 1 88 88 PRO C C 13 172.90 0.1 . 1 . . . . . . . . 6058 1 1041 . 1 1 88 88 PRO CB C 13 31.70 0.1 . 1 . . . . . . . . 6058 1 1042 . 1 1 88 88 PRO CG C 13 27.40 0.1 . 1 . . . . . . . . 6058 1 1043 . 1 1 88 88 PRO CD C 13 50.90 0.1 . 1 . . . . . . . . 6058 1 1044 . 1 1 88 88 PRO HB2 H 1 2.33 0.01 . 2 . . . . . . . . 6058 1 1045 . 1 1 88 88 PRO HB3 H 1 1.88 0.01 . 2 . . . . . . . . 6058 1 1046 . 1 1 88 88 PRO HG2 H 1 2.10 0.01 . 1 . . . . . . . . 6058 1 1047 . 1 1 88 88 PRO HG3 H 1 2.10 0.01 . 1 . . . . . . . . 6058 1 1048 . 1 1 88 88 PRO HD2 H 1 3.62 0.01 . 2 . . . . . . . . 6058 1 1049 . 1 1 88 88 PRO HD3 H 1 3.96 0.01 . 2 . . . . . . . . 6058 1 1050 . 1 1 89 89 GLY H H 1 8.89 0.01 . 1 . . . . . . . . 6058 1 1051 . 1 1 89 89 GLY N N 15 112.10 0.1 . 1 . . . . . . . . 6058 1 1052 . 1 1 89 89 GLY CA C 13 45.00 0.1 . 1 . . . . . . . . 6058 1 1053 . 1 1 89 89 GLY C C 13 175.70 0.1 . 1 . . . . . . . . 6058 1 1054 . 1 1 89 89 GLY HA2 H 1 3.50 0.01 . 2 . . . . . . . . 6058 1 1055 . 1 1 89 89 GLY HA3 H 1 4.10 0.01 . 2 . . . . . . . . 6058 1 1056 . 1 1 90 90 THR H H 1 7.40 0.01 . 1 . . . . . . . . 6058 1 1057 . 1 1 90 90 THR N N 15 118.00 0.1 . 1 . . . . . . . . 6058 1 1058 . 1 1 90 90 THR CA C 13 64.90 0.1 . 1 . . . . . . . . 6058 1 1059 . 1 1 90 90 THR HA H 1 3.98 0.01 . 1 . . . . . . . . 6058 1 1060 . 1 1 90 90 THR C C 13 176.90 0.1 . 1 . . . . . . . . 6058 1 1061 . 1 1 90 90 THR CB C 13 69.60 0.1 . 1 . . . . . . . . 6058 1 1062 . 1 1 90 90 THR HB H 1 3.82 0.01 . 1 . . . . . . . . 6058 1 1063 . 1 1 90 90 THR CG2 C 13 21.80 0.1 . 1 . . . . . . . . 6058 1 1064 . 1 1 90 90 THR HG21 H 1 1.02 0.01 . 1 . . . . . . . . 6058 1 1065 . 1 1 90 90 THR HG22 H 1 1.02 0.01 . 1 . . . . . . . . 6058 1 1066 . 1 1 90 90 THR HG23 H 1 1.02 0.01 . 1 . . . . . . . . 6058 1 1067 . 1 1 91 91 ILE H H 1 8.59 0.01 . 1 . . . . . . . . 6058 1 1068 . 1 1 91 91 ILE N N 15 129.50 0.1 . 1 . . . . . . . . 6058 1 1069 . 1 1 91 91 ILE CA C 13 60.60 0.1 . 1 . . . . . . . . 6058 1 1070 . 1 1 91 91 ILE HA H 1 4.57 0.01 . 1 . . . . . . . . 6058 1 1071 . 1 1 91 91 ILE C C 13 174.20 0.1 . 1 . . . . . . . . 6058 1 1072 . 1 1 91 91 ILE CB C 13 38.60 0.1 . 1 . . . . . . . . 6058 1 1073 . 1 1 91 91 ILE HB H 1 1.68 0.01 . 1 . . . . . . . . 6058 1 1074 . 1 1 91 91 ILE CG2 C 13 18.90 0.1 . 1 . . . . . . . . 6058 1 1075 . 1 1 91 91 ILE HG21 H 1 0.83 0.01 . 1 . . . . . . . . 6058 1 1076 . 1 1 91 91 ILE HG22 H 1 0.83 0.01 . 1 . . . . . . . . 6058 1 1077 . 1 1 91 91 ILE HG23 H 1 0.83 0.01 . 1 . . . . . . . . 6058 1 1078 . 1 1 91 91 ILE CG1 C 13 27.40 0.1 . 1 . . . . . . . . 6058 1 1079 . 1 1 91 91 ILE CD1 C 13 13.40 0.1 . 1 . . . . . . . . 6058 1 1080 . 1 1 91 91 ILE HD11 H 1 0.91 0.01 . 1 . . . . . . . . 6058 1 1081 . 1 1 91 91 ILE HD12 H 1 0.91 0.01 . 1 . . . . . . . . 6058 1 1082 . 1 1 91 91 ILE HD13 H 1 0.91 0.01 . 1 . . . . . . . . 6058 1 1083 . 1 1 91 91 ILE HG12 H 1 1.80 0.01 . 2 . . . . . . . . 6058 1 1084 . 1 1 91 91 ILE HG13 H 1 1.55 0.01 . 2 . . . . . . . . 6058 1 1085 . 1 1 92 92 THR H H 1 8.56 0.01 . 1 . . . . . . . . 6058 1 1086 . 1 1 92 92 THR N N 15 116.40 0.1 . 1 . . . . . . . . 6058 1 1087 . 1 1 92 92 THR CA C 13 62.20 0.1 . 1 . . . . . . . . 6058 1 1088 . 1 1 92 92 THR HA H 1 4.20 0.01 . 1 . . . . . . . . 6058 1 1089 . 1 1 92 92 THR C C 13 175.90 0.1 . 1 . . . . . . . . 6058 1 1090 . 1 1 92 92 THR CB C 13 69.50 0.1 . 1 . . . . . . . . 6058 1 1091 . 1 1 92 92 THR HB H 1 3.99 0.01 . 1 . . . . . . . . 6058 1 1092 . 1 1 92 92 THR CG2 C 13 22.20 0.1 . 1 . . . . . . . . 6058 1 1093 . 1 1 92 92 THR HG21 H 1 0.98 0.01 . 1 . . . . . . . . 6058 1 1094 . 1 1 92 92 THR HG22 H 1 0.98 0.01 . 1 . . . . . . . . 6058 1 1095 . 1 1 92 92 THR HG23 H 1 0.98 0.01 . 1 . . . . . . . . 6058 1 1096 . 1 1 93 93 ALA H H 1 7.12 0.01 . 1 . . . . . . . . 6058 1 1097 . 1 1 93 93 ALA N N 15 118.60 0.1 . 1 . . . . . . . . 6058 1 1098 . 1 1 93 93 ALA CA C 13 51.40 0.1 . 1 . . . . . . . . 6058 1 1099 . 1 1 93 93 ALA HA H 1 5.28 0.01 . 1 . . . . . . . . 6058 1 1100 . 1 1 93 93 ALA C C 13 175.30 0.1 . 1 . . . . . . . . 6058 1 1101 . 1 1 93 93 ALA CB C 13 21.30 0.1 . 1 . . . . . . . . 6058 1 1102 . 1 1 93 93 ALA HB1 H 1 1.08 0.01 . 1 . . . . . . . . 6058 1 1103 . 1 1 93 93 ALA HB2 H 1 1.08 0.01 . 1 . . . . . . . . 6058 1 1104 . 1 1 93 93 ALA HB3 H 1 1.08 0.01 . 1 . . . . . . . . 6058 1 1105 . 1 1 94 94 VAL H H 1 8.81 0.01 . 1 . . . . . . . . 6058 1 1106 . 1 1 94 94 VAL N N 15 117.30 0.1 . 1 . . . . . . . . 6058 1 1107 . 1 1 94 94 VAL CA C 13 59.20 0.1 . 1 . . . . . . . . 6058 1 1108 . 1 1 94 94 VAL HA H 1 5.13 0.01 . 1 . . . . . . . . 6058 1 1109 . 1 1 94 94 VAL C C 13 177.90 0.1 . 1 . . . . . . . . 6058 1 1110 . 1 1 94 94 VAL CB C 13 36.60 0.1 . 1 . . . . . . . . 6058 1 1111 . 1 1 94 94 VAL HB H 1 1.76 0.01 . 1 . . . . . . . . 6058 1 1112 . 1 1 94 94 VAL CG1 C 13 20.50 0.1 . 2 . . . . . . . . 6058 1 1113 . 1 1 94 94 VAL CG2 C 13 21.80 0.1 . 2 . . . . . . . . 6058 1 1114 . 1 1 94 94 VAL HG11 H 1 0.83 0.01 . 2 . . . . . . . . 6058 1 1115 . 1 1 94 94 VAL HG12 H 1 0.83 0.01 . 2 . . . . . . . . 6058 1 1116 . 1 1 94 94 VAL HG13 H 1 0.83 0.01 . 2 . . . . . . . . 6058 1 1117 . 1 1 94 94 VAL HG21 H 1 0.82 0.01 . 2 . . . . . . . . 6058 1 1118 . 1 1 94 94 VAL HG22 H 1 0.82 0.01 . 2 . . . . . . . . 6058 1 1119 . 1 1 94 94 VAL HG23 H 1 0.82 0.01 . 2 . . . . . . . . 6058 1 1120 . 1 1 95 95 VAL H H 1 8.58 0.01 . 1 . . . . . . . . 6058 1 1121 . 1 1 95 95 VAL N N 15 124.30 0.1 . 1 . . . . . . . . 6058 1 1122 . 1 1 95 95 VAL CA C 13 58.00 0.1 . 1 . . . . . . . . 6058 1 1123 . 1 1 95 95 VAL HA H 1 5.18 0.01 . 1 . . . . . . . . 6058 1 1124 . 1 1 95 95 VAL C C 13 178.40 0.1 . 1 . . . . . . . . 6058 1 1125 . 1 1 95 95 VAL CB C 13 35.20 0.1 . 1 . . . . . . . . 6058 1 1126 . 1 1 95 95 VAL HB H 1 1.65 0.01 . 1 . . . . . . . . 6058 1 1127 . 1 1 95 95 VAL CG1 C 13 16.00 0.1 . 2 . . . . . . . . 6058 1 1128 . 1 1 95 95 VAL CG2 C 13 22.20 0.1 . 2 . . . . . . . . 6058 1 1129 . 1 1 95 95 VAL HG11 H 1 0.80 0.01 . 1 . . . . . . . . 6058 1 1130 . 1 1 95 95 VAL HG12 H 1 0.80 0.01 . 1 . . . . . . . . 6058 1 1131 . 1 1 95 95 VAL HG13 H 1 0.80 0.01 . 1 . . . . . . . . 6058 1 1132 . 1 1 95 95 VAL HG21 H 1 0.80 0.01 . 1 . . . . . . . . 6058 1 1133 . 1 1 95 95 VAL HG22 H 1 0.80 0.01 . 1 . . . . . . . . 6058 1 1134 . 1 1 95 95 VAL HG23 H 1 0.80 0.01 . 1 . . . . . . . . 6058 1 1135 . 1 1 96 96 ILE H H 1 9.02 0.01 . 1 . . . . . . . . 6058 1 1136 . 1 1 96 96 ILE N N 15 125.50 0.1 . 1 . . . . . . . . 6058 1 1137 . 1 1 96 96 ILE CA C 13 59.70 0.1 . 1 . . . . . . . . 6058 1 1138 . 1 1 96 96 ILE HA H 1 4.84 0.01 . 1 . . . . . . . . 6058 1 1139 . 1 1 96 96 ILE C C 13 174.70 0.1 . 1 . . . . . . . . 6058 1 1140 . 1 1 96 96 ILE CB C 13 41.20 0.1 . 1 . . . . . . . . 6058 1 1141 . 1 1 96 96 ILE HB H 1 1.54 0.01 . 1 . . . . . . . . 6058 1 1142 . 1 1 96 96 ILE CG2 C 13 19.90 0.1 . 1 . . . . . . . . 6058 1 1143 . 1 1 96 96 ILE HG21 H 1 0.72 0.01 . 1 . . . . . . . . 6058 1 1144 . 1 1 96 96 ILE HG22 H 1 0.72 0.01 . 1 . . . . . . . . 6058 1 1145 . 1 1 96 96 ILE HG23 H 1 0.72 0.01 . 1 . . . . . . . . 6058 1 1146 . 1 1 96 96 ILE CG1 C 13 27.10 0.1 . 1 . . . . . . . . 6058 1 1147 . 1 1 96 96 ILE CD1 C 13 14.30 0.1 . 1 . . . . . . . . 6058 1 1148 . 1 1 96 96 ILE HD11 H 1 0.56 0.01 . 1 . . . . . . . . 6058 1 1149 . 1 1 96 96 ILE HD12 H 1 0.56 0.01 . 1 . . . . . . . . 6058 1 1150 . 1 1 96 96 ILE HD13 H 1 0.56 0.01 . 1 . . . . . . . . 6058 1 1151 . 1 1 96 96 ILE HG12 H 1 1.39 0.01 . 2 . . . . . . . . 6058 1 1152 . 1 1 97 97 GLY H H 1 8.31 0.01 . 1 . . . . . . . . 6058 1 1153 . 1 1 97 97 GLY N N 15 111.70 0.1 . 1 . . . . . . . . 6058 1 1154 . 1 1 97 97 GLY CA C 13 43.40 0.1 . 1 . . . . . . . . 6058 1 1155 . 1 1 97 97 GLY HA2 H 1 4.15 0.01 . 2 . . . . . . . . 6058 1 1156 . 1 1 97 97 GLY HA3 H 1 3.35 0.01 . 2 . . . . . . . . 6058 1 1157 . 1 1 98 98 PRO CA C 13 60.20 0.1 . 1 . . . . . . . . 6058 1 1158 . 1 1 98 98 PRO HA H 1 4.26 0.01 . 1 . . . . . . . . 6058 1 1159 . 1 1 98 98 PRO C C 13 175.70 0.1 . 1 . . . . . . . . 6058 1 1160 . 1 1 98 98 PRO CB C 13 35.00 0.1 . 1 . . . . . . . . 6058 1 1161 . 1 1 98 98 PRO CG C 13 24.10 0.1 . 1 . . . . . . . . 6058 1 1162 . 1 1 98 98 PRO CD C 13 49.20 0.1 . 1 . . . . . . . . 6058 1 1163 . 1 1 98 98 PRO HB2 H 1 0.90 0.01 . 2 . . . . . . . . 6058 1 1164 . 1 1 98 98 PRO HB3 H 1 -0.04 0.01 . 2 . . . . . . . . 6058 1 1165 . 1 1 98 98 PRO HG2 H 1 1.07 0.01 . 2 . . . . . . . . 6058 1 1166 . 1 1 98 98 PRO HG3 H 1 0.42 0.01 . 2 . . . . . . . . 6058 1 1167 . 1 1 98 98 PRO HD2 H 1 3.11 0.01 . 2 . . . . . . . . 6058 1 1168 . 1 1 98 98 PRO HD3 H 1 1.81 0.01 . 2 . . . . . . . . 6058 1 1169 . 1 1 99 99 ASP H H 1 8.44 0.01 . 1 . . . . . . . . 6058 1 1170 . 1 1 99 99 ASP N N 15 118.20 0.1 . 1 . . . . . . . . 6058 1 1171 . 1 1 99 99 ASP CA C 13 52.70 0.1 . 1 . . . . . . . . 6058 1 1172 . 1 1 99 99 ASP HA H 1 4.40 0.01 . 1 . . . . . . . . 6058 1 1173 . 1 1 99 99 ASP C C 13 175.90 0.1 . 1 . . . . . . . . 6058 1 1174 . 1 1 99 99 ASP CB C 13 44.70 0.1 . 1 . . . . . . . . 6058 1 1175 . 1 1 99 99 ASP HB2 H 1 2.55 0.01 . 2 . . . . . . . . 6058 1 1176 . 1 1 99 99 ASP HB3 H 1 2.45 0.01 . 2 . . . . . . . . 6058 1 1177 . 1 1 100 100 GLU H H 1 11.15 0.01 . 1 . . . . . . . . 6058 1 1178 . 1 1 100 100 GLU N N 15 123.00 0.1 . 1 . . . . . . . . 6058 1 1179 . 1 1 100 100 GLU CA C 13 57.40 0.1 . 1 . . . . . . . . 6058 1 1180 . 1 1 100 100 GLU HA H 1 4.29 0.01 . 1 . . . . . . . . 6058 1 1181 . 1 1 100 100 GLU C C 13 171.70 0.1 . 1 . . . . . . . . 6058 1 1182 . 1 1 100 100 GLU CB C 13 30.20 0.1 . 1 . . . . . . . . 6058 1 1183 . 1 1 100 100 GLU CG C 13 35.90 0.1 . 1 . . . . . . . . 6058 1 1184 . 1 1 100 100 GLU HB2 H 1 2.17 0.01 . 2 . . . . . . . . 6058 1 1185 . 1 1 100 100 GLU HB3 H 1 1.84 0.01 . 2 . . . . . . . . 6058 1 1186 . 1 1 100 100 GLU HG2 H 1 2.45 0.01 . 2 . . . . . . . . 6058 1 1187 . 1 1 100 100 GLU HG3 H 1 2.38 0.01 . 2 . . . . . . . . 6058 1 1188 . 1 1 101 101 GLU H H 1 8.64 0.01 . 1 . . . . . . . . 6058 1 1189 . 1 1 101 101 GLU N N 15 125.80 0.1 . 1 . . . . . . . . 6058 1 1190 . 1 1 101 101 GLU CA C 13 60.90 0.1 . 1 . . . . . . . . 6058 1 1191 . 1 1 101 101 GLU HA H 1 3.71 0.01 . 1 . . . . . . . . 6058 1 1192 . 1 1 101 101 GLU CB C 13 29.80 0.1 . 1 . . . . . . . . 6058 1 1193 . 1 1 101 101 GLU CG C 13 36.20 0.1 . 1 . . . . . . . . 6058 1 1194 . 1 1 101 101 GLU HB2 H 1 2.09 0.01 . 2 . . . . . . . . 6058 1 1195 . 1 1 101 101 GLU HB3 H 1 2.03 0.01 . 2 . . . . . . . . 6058 1 1196 . 1 1 101 101 GLU HG2 H 1 2.21 0.01 . 1 . . . . . . . . 6058 1 1197 . 1 1 101 101 GLU HG3 H 1 2.21 0.01 . 1 . . . . . . . . 6058 1 1198 . 1 1 102 102 ARG H H 1 8.85 0.01 . 1 . . . . . . . . 6058 1 1199 . 1 1 102 102 ARG N N 15 116.20 0.1 . 1 . . . . . . . . 6058 1 1200 . 1 1 102 102 ARG CA C 13 59.00 0.1 . 1 . . . . . . . . 6058 1 1201 . 1 1 102 102 ARG HA H 1 4.10 0.01 . 1 . . . . . . . . 6058 1 1202 . 1 1 102 102 ARG C C 13 172.00 0.1 . 1 . . . . . . . . 6058 1 1203 . 1 1 102 102 ARG CB C 13 29.90 0.1 . 1 . . . . . . . . 6058 1 1204 . 1 1 102 102 ARG CG C 13 27.10 0.1 . 1 . . . . . . . . 6058 1 1205 . 1 1 102 102 ARG CD C 13 43.40 0.1 . 1 . . . . . . . . 6058 1 1206 . 1 1 102 102 ARG HB2 H 1 1.86 0.01 . 2 . . . . . . . . 6058 1 1207 . 1 1 102 102 ARG HB3 H 1 1.93 0.01 . 2 . . . . . . . . 6058 1 1208 . 1 1 102 102 ARG HG2 H 1 1.69 0.01 . 1 . . . . . . . . 6058 1 1209 . 1 1 102 102 ARG HG3 H 1 1.69 0.01 . 1 . . . . . . . . 6058 1 1210 . 1 1 102 102 ARG HD2 H 1 3.21 0.01 . 1 . . . . . . . . 6058 1 1211 . 1 1 102 102 ARG HD3 H 1 3.21 0.01 . 1 . . . . . . . . 6058 1 1212 . 1 1 103 103 LYS H H 1 7.12 0.01 . 1 . . . . . . . . 6058 1 1213 . 1 1 103 103 LYS N N 15 117.50 0.1 . 1 . . . . . . . . 6058 1 1214 . 1 1 103 103 LYS CA C 13 59.10 0.1 . 1 . . . . . . . . 6058 1 1215 . 1 1 103 103 LYS HA H 1 4.06 0.01 . 1 . . . . . . . . 6058 1 1216 . 1 1 103 103 LYS C C 13 172.60 0.1 . 1 . . . . . . . . 6058 1 1217 . 1 1 103 103 LYS CB C 13 33.80 0.1 . 1 . . . . . . . . 6058 1 1218 . 1 1 103 103 LYS CG C 13 25.40 0.1 . 1 . . . . . . . . 6058 1 1219 . 1 1 103 103 LYS CD C 13 29.70 0.1 . 1 . . . . . . . . 6058 1 1220 . 1 1 103 103 LYS CE C 13 42.10 0.1 . 1 . . . . . . . . 6058 1 1221 . 1 1 103 103 LYS HB2 H 1 1.81 0.01 . 1 . . . . . . . . 6058 1 1222 . 1 1 103 103 LYS HB3 H 1 1.81 0.01 . 1 . . . . . . . . 6058 1 1223 . 1 1 103 103 LYS HG2 H 1 1.47 0.01 . 1 . . . . . . . . 6058 1 1224 . 1 1 103 103 LYS HG3 H 1 1.47 0.01 . 1 . . . . . . . . 6058 1 1225 . 1 1 103 103 LYS HD2 H 1 1.65 0.01 . 1 . . . . . . . . 6058 1 1226 . 1 1 103 103 LYS HD3 H 1 1.65 0.01 . 1 . . . . . . . . 6058 1 1227 . 1 1 103 103 LYS HE2 H 1 3.00 0.01 . 1 . . . . . . . . 6058 1 1228 . 1 1 103 103 LYS HE3 H 1 3.00 0.01 . 1 . . . . . . . . 6058 1 1229 . 1 1 104 104 ILE H H 1 7.64 0.01 . 1 . . . . . . . . 6058 1 1230 . 1 1 104 104 ILE N N 15 117.70 0.1 . 1 . . . . . . . . 6058 1 1231 . 1 1 104 104 ILE CA C 13 64.70 0.1 . 1 . . . . . . . . 6058 1 1232 . 1 1 104 104 ILE HA H 1 3.47 0.01 . 1 . . . . . . . . 6058 1 1233 . 1 1 104 104 ILE C C 13 171.70 0.1 . 1 . . . . . . . . 6058 1 1234 . 1 1 104 104 ILE CB C 13 37.90 0.1 . 1 . . . . . . . . 6058 1 1235 . 1 1 104 104 ILE HB H 1 1.62 0.01 . 1 . . . . . . . . 6058 1 1236 . 1 1 104 104 ILE CG2 C 13 18.20 0.1 . 1 . . . . . . . . 6058 1 1237 . 1 1 104 104 ILE HG21 H 1 0.77 0.01 . 1 . . . . . . . . 6058 1 1238 . 1 1 104 104 ILE HG22 H 1 0.77 0.01 . 1 . . . . . . . . 6058 1 1239 . 1 1 104 104 ILE HG23 H 1 0.77 0.01 . 1 . . . . . . . . 6058 1 1240 . 1 1 104 104 ILE CG1 C 13 29.30 0.1 . 1 . . . . . . . . 6058 1 1241 . 1 1 104 104 ILE CD1 C 13 13.70 0.1 . 1 . . . . . . . . 6058 1 1242 . 1 1 104 104 ILE HD11 H 1 0.65 0.01 . 1 . . . . . . . . 6058 1 1243 . 1 1 104 104 ILE HD12 H 1 0.65 0.01 . 1 . . . . . . . . 6058 1 1244 . 1 1 104 104 ILE HD13 H 1 0.65 0.01 . 1 . . . . . . . . 6058 1 1245 . 1 1 104 104 ILE HG12 H 1 1.59 0.01 . 2 . . . . . . . . 6058 1 1246 . 1 1 104 104 ILE HG13 H 1 0.91 0.01 . 2 . . . . . . . . 6058 1 1247 . 1 1 105 105 ASP H H 1 8.71 0.01 . 1 . . . . . . . . 6058 1 1248 . 1 1 105 105 ASP N N 15 119.70 0.1 . 1 . . . . . . . . 6058 1 1249 . 1 1 105 105 ASP CA C 13 56.60 0.1 . 1 . . . . . . . . 6058 1 1250 . 1 1 105 105 ASP HA H 1 4.34 0.01 . 1 . . . . . . . . 6058 1 1251 . 1 1 105 105 ASP C C 13 172.00 0.1 . 1 . . . . . . . . 6058 1 1252 . 1 1 105 105 ASP CB C 13 39.40 0.1 . 1 . . . . . . . . 6058 1 1253 . 1 1 105 105 ASP HB2 H 1 2.61 0.01 . 1 . . . . . . . . 6058 1 1254 . 1 1 105 105 ASP HB3 H 1 2.61 0.01 . 1 . . . . . . . . 6058 1 1255 . 1 1 106 106 LYS H H 1 7.16 0.01 . 1 . . . . . . . . 6058 1 1256 . 1 1 106 106 LYS N N 15 118.60 0.1 . 1 . . . . . . . . 6058 1 1257 . 1 1 106 106 LYS CA C 13 58.80 0.1 . 1 . . . . . . . . 6058 1 1258 . 1 1 106 106 LYS HA H 1 4.04 0.01 . 1 . . . . . . . . 6058 1 1259 . 1 1 106 106 LYS C C 13 172.70 0.1 . 1 . . . . . . . . 6058 1 1260 . 1 1 106 106 LYS CB C 13 32.50 0.1 . 1 . . . . . . . . 6058 1 1261 . 1 1 106 106 LYS CG C 13 25.10 0.1 . 1 . . . . . . . . 6058 1 1262 . 1 1 106 106 LYS CD C 13 29.00 0.1 . 1 . . . . . . . . 6058 1 1263 . 1 1 106 106 LYS CE C 13 42.10 0.1 . 1 . . . . . . . . 6058 1 1264 . 1 1 106 106 LYS HB2 H 1 1.96 0.01 . 1 . . . . . . . . 6058 1 1265 . 1 1 106 106 LYS HB3 H 1 1.96 0.01 . 1 . . . . . . . . 6058 1 1266 . 1 1 106 106 LYS HG2 H 1 1.50 0.01 . 1 . . . . . . . . 6058 1 1267 . 1 1 106 106 LYS HG3 H 1 1.50 0.01 . 1 . . . . . . . . 6058 1 1268 . 1 1 106 106 LYS HD2 H 1 1.71 0.01 . 1 . . . . . . . . 6058 1 1269 . 1 1 106 106 LYS HD3 H 1 1.71 0.01 . 1 . . . . . . . . 6058 1 1270 . 1 1 106 106 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 6058 1 1271 . 1 1 106 106 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 6058 1 1272 . 1 1 107 107 VAL H H 1 7.89 0.01 . 1 . . . . . . . . 6058 1 1273 . 1 1 107 107 VAL N N 15 115.20 0.1 . 1 . . . . . . . . 6058 1 1274 . 1 1 107 107 VAL CA C 13 64.00 0.1 . 1 . . . . . . . . 6058 1 1275 . 1 1 107 107 VAL HA H 1 3.90 0.01 . 1 . . . . . . . . 6058 1 1276 . 1 1 107 107 VAL C C 13 173.40 0.1 . 1 . . . . . . . . 6058 1 1277 . 1 1 107 107 VAL CB C 13 32.50 0.1 . 1 . . . . . . . . 6058 1 1278 . 1 1 107 107 VAL HB H 1 2.25 0.01 . 1 . . . . . . . . 6058 1 1279 . 1 1 107 107 VAL CG1 C 13 22.50 0.1 . 2 . . . . . . . . 6058 1 1280 . 1 1 107 107 VAL CG2 C 13 19.60 0.1 . 2 . . . . . . . . 6058 1 1281 . 1 1 107 107 VAL HG11 H 1 0.89 0.01 . 2 . . . . . . . . 6058 1 1282 . 1 1 107 107 VAL HG12 H 1 0.89 0.01 . 2 . . . . . . . . 6058 1 1283 . 1 1 107 107 VAL HG13 H 1 0.89 0.01 . 2 . . . . . . . . 6058 1 1284 . 1 1 107 107 VAL HG21 H 1 0.79 0.01 . 2 . . . . . . . . 6058 1 1285 . 1 1 107 107 VAL HG22 H 1 0.79 0.01 . 2 . . . . . . . . 6058 1 1286 . 1 1 107 107 VAL HG23 H 1 0.79 0.01 . 2 . . . . . . . . 6058 1 1287 . 1 1 108 108 THR H H 1 7.77 0.01 . 1 . . . . . . . . 6058 1 1288 . 1 1 108 108 THR N N 15 106.40 0.1 . 1 . . . . . . . . 6058 1 1289 . 1 1 108 108 THR CA C 13 62.50 0.1 . 1 . . . . . . . . 6058 1 1290 . 1 1 108 108 THR HA H 1 4.14 0.01 . 1 . . . . . . . . 6058 1 1291 . 1 1 108 108 THR C C 13 174.20 0.1 . 1 . . . . . . . . 6058 1 1292 . 1 1 108 108 THR CB C 13 68.40 0.1 . 1 . . . . . . . . 6058 1 1293 . 1 1 108 108 THR HB H 1 4.39 0.01 . 1 . . . . . . . . 6058 1 1294 . 1 1 108 108 THR CG2 C 13 22.20 0.1 . 1 . . . . . . . . 6058 1 1295 . 1 1 108 108 THR HG21 H 1 0.89 0.01 . 1 . . . . . . . . 6058 1 1296 . 1 1 108 108 THR HG22 H 1 0.89 0.01 . 1 . . . . . . . . 6058 1 1297 . 1 1 108 108 THR HG23 H 1 0.89 0.01 . 1 . . . . . . . . 6058 1 1298 . 1 1 109 109 GLY H H 1 7.93 0.01 . 1 . . . . . . . . 6058 1 1299 . 1 1 109 109 GLY N N 15 109.60 0.1 . 1 . . . . . . . . 6058 1 1300 . 1 1 109 109 GLY CA C 13 46.80 0.1 . 1 . . . . . . . . 6058 1 1301 . 1 1 109 109 GLY C C 13 176.40 0.1 . 1 . . . . . . . . 6058 1 1302 . 1 1 109 109 GLY HA2 H 1 3.88 0.01 . 1 . . . . . . . . 6058 1 1303 . 1 1 109 109 GLY HA3 H 1 3.88 0.01 . 1 . . . . . . . . 6058 1 1304 . 1 1 110 110 ASN H H 1 8.16 0.01 . 1 . . . . . . . . 6058 1 1305 . 1 1 110 110 ASN N N 15 116.90 0.1 . 1 . . . . . . . . 6058 1 1306 . 1 1 110 110 ASN CA C 13 52.80 0.1 . 1 . . . . . . . . 6058 1 1307 . 1 1 110 110 ASN HA H 1 4.84 0.01 . 1 . . . . . . . . 6058 1 1308 . 1 1 110 110 ASN C C 13 175.10 0.1 . 1 . . . . . . . . 6058 1 1309 . 1 1 110 110 ASN CB C 13 38.80 0.1 . 1 . . . . . . . . 6058 1 1310 . 1 1 110 110 ASN ND2 N 15 112.2 0.1 . 1 . . . . . . . . 6058 1 1311 . 1 1 110 110 ASN HD21 H 1 7.41 0.01 . 2 . . . . . . . . 6058 1 1312 . 1 1 110 110 ASN HD22 H 1 6.74 0.01 . 2 . . . . . . . . 6058 1 1313 . 1 1 110 110 ASN HB2 H 1 2.82 0.01 . 2 . . . . . . . . 6058 1 1314 . 1 1 110 110 ASN HB3 H 1 2.69 0.01 . 2 . . . . . . . . 6058 1 1315 . 1 1 111 111 LEU H H 1 7.72 0.01 . 1 . . . . . . . . 6058 1 1316 . 1 1 111 111 LEU N N 15 122.10 0.1 . 1 . . . . . . . . 6058 1 1317 . 1 1 111 111 LEU CA C 13 53.80 0.1 . 1 . . . . . . . . 6058 1 1318 . 1 1 111 111 LEU HA H 1 4.59 0.01 . 1 . . . . . . . . 6058 1 1319 . 1 1 111 111 LEU CB C 13 41.60 0.1 . 1 . . . . . . . . 6058 1 1320 . 1 1 111 111 LEU HD11 H 1 0.88 0.01 . 1 . . . . . . . . 6058 1 1321 . 1 1 111 111 LEU HD12 H 1 0.88 0.01 . 1 . . . . . . . . 6058 1 1322 . 1 1 111 111 LEU HD13 H 1 0.88 0.01 . 1 . . . . . . . . 6058 1 1323 . 1 1 111 111 LEU HD21 H 1 0.88 0.01 . 1 . . . . . . . . 6058 1 1324 . 1 1 111 111 LEU HD22 H 1 0.88 0.01 . 1 . . . . . . . . 6058 1 1325 . 1 1 111 111 LEU HD23 H 1 0.88 0.01 . 1 . . . . . . . . 6058 1 1326 . 1 1 111 111 LEU HG H 1 1.71 0.01 . 1 . . . . . . . . 6058 1 1327 . 1 1 111 111 LEU HB2 H 1 1.84 0.01 . 2 . . . . . . . . 6058 1 1328 . 1 1 111 111 LEU HB3 H 1 1.49 0.01 . 2 . . . . . . . . 6058 1 1329 . 1 1 112 112 PRO CA C 13 62.40 0.1 . 1 . . . . . . . . 6058 1 1330 . 1 1 112 112 PRO HA H 1 4.87 0.01 . 1 . . . . . . . . 6058 1 1331 . 1 1 112 112 PRO C C 13 174.60 0.1 . 1 . . . . . . . . 6058 1 1332 . 1 1 112 112 PRO CB C 13 34.80 0.1 . 1 . . . . . . . . 6058 1 1333 . 1 1 112 112 PRO CG C 13 24.40 0.1 . 1 . . . . . . . . 6058 1 1334 . 1 1 112 112 PRO CD C 13 50.20 0.1 . 1 . . . . . . . . 6058 1 1335 . 1 1 112 112 PRO HB2 H 1 1.71 0.01 . 1 . . . . . . . . 6058 1 1336 . 1 1 112 112 PRO HB3 H 1 1.71 0.01 . 1 . . . . . . . . 6058 1 1337 . 1 1 112 112 PRO HG2 H 1 1.96 0.01 . 2 . . . . . . . . 6058 1 1338 . 1 1 112 112 PRO HG3 H 1 1.78 0.01 . 2 . . . . . . . . 6058 1 1339 . 1 1 112 112 PRO HD2 H 1 3.58 0.01 . 2 . . . . . . . . 6058 1 1340 . 1 1 112 112 PRO HD3 H 1 3.47 0.01 . 2 . . . . . . . . 6058 1 1341 . 1 1 113 113 LEU H H 1 8.64 0.01 . 1 . . . . . . . . 6058 1 1342 . 1 1 113 113 LEU N N 15 122.70 0.1 . 1 . . . . . . . . 6058 1 1343 . 1 1 113 113 LEU CA C 13 55.90 0.1 . 1 . . . . . . . . 6058 1 1344 . 1 1 113 113 LEU HA H 1 4.26 0.01 . 1 . . . . . . . . 6058 1 1345 . 1 1 113 113 LEU C C 13 173.20 0.1 . 1 . . . . . . . . 6058 1 1346 . 1 1 113 113 LEU CB C 13 42.00 0.1 . 1 . . . . . . . . 6058 1 1347 . 1 1 113 113 LEU CG C 13 27.10 0.1 . 1 . . . . . . . . 6058 1 1348 . 1 1 113 113 LEU CD1 C 13 23.80 0.1 . 2 . . . . . . . . 6058 1 1349 . 1 1 113 113 LEU CD2 C 13 25.10 0.1 . 2 . . . . . . . . 6058 1 1350 . 1 1 113 113 LEU HD11 H 1 0.84 0.01 . 1 . . . . . . . . 6058 1 1351 . 1 1 113 113 LEU HD12 H 1 0.84 0.01 . 1 . . . . . . . . 6058 1 1352 . 1 1 113 113 LEU HD13 H 1 0.84 0.01 . 1 . . . . . . . . 6058 1 1353 . 1 1 113 113 LEU HD21 H 1 0.84 0.01 . 1 . . . . . . . . 6058 1 1354 . 1 1 113 113 LEU HD22 H 1 0.84 0.01 . 1 . . . . . . . . 6058 1 1355 . 1 1 113 113 LEU HD23 H 1 0.84 0.01 . 1 . . . . . . . . 6058 1 1356 . 1 1 113 113 LEU HG H 1 1.59 0.01 . 1 . . . . . . . . 6058 1 1357 . 1 1 113 113 LEU HB2 H 1 1.61 0.01 . 2 . . . . . . . . 6058 1 1358 . 1 1 113 113 LEU HB3 H 1 1.44 0.01 . 2 . . . . . . . . 6058 1 1359 . 1 1 114 114 LEU H H 1 8.15 0.01 . 1 . . . . . . . . 6058 1 1360 . 1 1 114 114 LEU N N 15 122.70 0.1 . 1 . . . . . . . . 6058 1 1361 . 1 1 114 114 LEU CA C 13 54.90 0.1 . 1 . . . . . . . . 6058 1 1362 . 1 1 114 114 LEU HA H 1 4.30 0.01 . 1 . . . . . . . . 6058 1 1363 . 1 1 114 114 LEU C C 13 173.70 0.1 . 1 . . . . . . . . 6058 1 1364 . 1 1 114 114 LEU CB C 13 42.70 0.1 . 1 . . . . . . . . 6058 1 1365 . 1 1 114 114 LEU CG C 13 26.70 0.1 . 1 . . . . . . . . 6058 1 1366 . 1 1 114 114 LEU CD1 C 13 23.50 0.1 . 2 . . . . . . . . 6058 1 1367 . 1 1 114 114 LEU CD2 C 13 24.80 0.1 . 2 . . . . . . . . 6058 1 1368 . 1 1 114 114 LEU HD11 H 1 0.85 0.01 . 2 . . . . . . . . 6058 1 1369 . 1 1 114 114 LEU HD12 H 1 0.85 0.01 . 2 . . . . . . . . 6058 1 1370 . 1 1 114 114 LEU HD13 H 1 0.85 0.01 . 2 . . . . . . . . 6058 1 1371 . 1 1 114 114 LEU HD21 H 1 0.90 0.01 . 2 . . . . . . . . 6058 1 1372 . 1 1 114 114 LEU HD22 H 1 0.90 0.01 . 2 . . . . . . . . 6058 1 1373 . 1 1 114 114 LEU HD23 H 1 0.90 0.01 . 2 . . . . . . . . 6058 1 1374 . 1 1 114 114 LEU HG H 1 1.59 0.01 . 1 . . . . . . . . 6058 1 1375 . 1 1 114 114 LEU HB2 H 1 1.52 0.01 . 1 . . . . . . . . 6058 1 1376 . 1 1 114 114 LEU HB3 H 1 1.52 0.01 . 1 . . . . . . . . 6058 1 1377 . 1 1 115 115 LYS H H 1 8.12 0.01 . 1 . . . . . . . . 6058 1 1378 . 1 1 115 115 LYS N N 15 122.30 0.1 . 1 . . . . . . . . 6058 1 1379 . 1 1 115 115 LYS CA C 13 56.10 0.1 . 1 . . . . . . . . 6058 1 1380 . 1 1 115 115 LYS HA H 1 4.27 0.01 . 1 . . . . . . . . 6058 1 1381 . 1 1 115 115 LYS C C 13 174.60 0.1 . 1 . . . . . . . . 6058 1 1382 . 1 1 115 115 LYS CB C 13 32.90 0.1 . 1 . . . . . . . . 6058 1 1383 . 1 1 115 115 LYS CG C 13 24.10 0.1 . 1 . . . . . . . . 6058 1 1384 . 1 1 115 115 LYS CD C 13 29.00 0.1 . 1 . . . . . . . . 6058 1 1385 . 1 1 115 115 LYS CE C 13 42.10 0.1 . 1 . . . . . . . . 6058 1 1386 . 1 1 115 115 LYS HB2 H 1 1.76 0.01 . 1 . . . . . . . . 6058 1 1387 . 1 1 115 115 LYS HB3 H 1 1.76 0.01 . 1 . . . . . . . . 6058 1 1388 . 1 1 115 115 LYS HG2 H 1 1.38 0.01 . 1 . . . . . . . . 6058 1 1389 . 1 1 115 115 LYS HG3 H 1 1.38 0.01 . 1 . . . . . . . . 6058 1 1390 . 1 1 115 115 LYS HD2 H 1 1.69 0.01 . 1 . . . . . . . . 6058 1 1391 . 1 1 115 115 LYS HD3 H 1 1.69 0.01 . 1 . . . . . . . . 6058 1 1392 . 1 1 115 115 LYS HE2 H 1 2.98 0.01 . 1 . . . . . . . . 6058 1 1393 . 1 1 115 115 LYS HE3 H 1 2.98 0.01 . 1 . . . . . . . . 6058 1 1394 . 1 1 116 116 LEU H H 1 8.11 0.01 . 1 . . . . . . . . 6058 1 1395 . 1 1 116 116 LEU N N 15 123.70 0.1 . 1 . . . . . . . . 6058 1 1396 . 1 1 116 116 LEU CA C 13 55.30 0.1 . 1 . . . . . . . . 6058 1 1397 . 1 1 116 116 LEU HA H 1 4.29 0.01 . 1 . . . . . . . . 6058 1 1398 . 1 1 116 116 LEU C C 13 173.50 0.1 . 1 . . . . . . . . 6058 1 1399 . 1 1 116 116 LEU CB C 13 42.50 0.1 . 1 . . . . . . . . 6058 1 1400 . 1 1 116 116 LEU CD1 C 13 23.50 0.1 . 2 . . . . . . . . 6058 1 1401 . 1 1 116 116 LEU CD2 C 13 24.80 0.1 . 2 . . . . . . . . 6058 1 1402 . 1 1 116 116 LEU HD11 H 1 0.99 0.01 . 2 . . . . . . . . 6058 1 1403 . 1 1 116 116 LEU HD12 H 1 0.99 0.01 . 2 . . . . . . . . 6058 1 1404 . 1 1 116 116 LEU HD13 H 1 0.99 0.01 . 2 . . . . . . . . 6058 1 1405 . 1 1 116 116 LEU HD21 H 1 0.81 0.01 . 2 . . . . . . . . 6058 1 1406 . 1 1 116 116 LEU HD22 H 1 0.81 0.01 . 2 . . . . . . . . 6058 1 1407 . 1 1 116 116 LEU HD23 H 1 0.81 0.01 . 2 . . . . . . . . 6058 1 1408 . 1 1 116 116 LEU HG H 1 1.56 0.01 . 1 . . . . . . . . 6058 1 1409 . 1 1 116 116 LEU HB2 H 1 1.56 0.01 . 1 . . . . . . . . 6058 1 1410 . 1 1 116 116 LEU HB3 H 1 1.56 0.01 . 1 . . . . . . . . 6058 1 1411 . 1 1 116 116 LEU CG C 13 26.70 0.01 . 2 . . . . . . . . 6058 1 1412 . 1 1 117 117 GLU H H 1 8.20 0.01 . 1 . . . . . . . . 6058 1 1413 . 1 1 117 117 GLU N N 15 121.50 0.1 . 1 . . . . . . . . 6058 1 1414 . 1 1 117 117 GLU CA C 13 56.20 0.1 . 1 . . . . . . . . 6058 1 1415 . 1 1 117 117 GLU HA H 1 4.26 0.01 . 1 . . . . . . . . 6058 1 1416 . 1 1 117 117 GLU C C 13 174.40 0.1 . 1 . . . . . . . . 6058 1 1417 . 1 1 117 117 GLU CB C 13 30.70 0.1 . 1 . . . . . . . . 6058 1 1418 . 1 1 117 117 GLU CG C 13 35.90 0.1 . 1 . . . . . . . . 6058 1 1419 . 1 1 117 117 GLU HB2 H 1 1.86 0.01 . 1 . . . . . . . . 6058 1 1420 . 1 1 117 117 GLU HB3 H 1 1.86 0.01 . 1 . . . . . . . . 6058 1 1421 . 1 1 117 117 GLU HG2 H 1 2.20 0.01 . 1 . . . . . . . . 6058 1 1422 . 1 1 117 117 GLU HG3 H 1 2.20 0.01 . 1 . . . . . . . . 6058 1 1423 . 1 1 118 118 HIS H H 1 8.40 0.01 . 1 . . . . . . . . 6058 1 1424 . 1 1 118 118 HIS N N 15 119.60 0.1 . 1 . . . . . . . . 6058 1 1425 . 1 1 118 118 HIS CA C 13 55.30 0.1 . 1 . . . . . . . . 6058 1 1426 . 1 1 118 118 HIS HA H 1 4.67 0.01 . 1 . . . . . . . . 6058 1 1427 . 1 1 118 118 HIS C C 13 176.90 0.1 . 1 . . . . . . . . 6058 1 1428 . 1 1 118 118 HIS CB C 13 29.50 0.1 . 1 . . . . . . . . 6058 1 1429 . 1 1 118 118 HIS HB2 H 1 3.19 0.01 . 2 . . . . . . . . 6058 1 1430 . 1 1 118 118 HIS HB3 H 1 3.07 0.01 . 2 . . . . . . . . 6058 1 1431 . 1 1 119 119 HIS H H 1 8.24 0.01 . 1 . . . . . . . . 6058 1 1432 . 1 1 119 119 HIS N N 15 125.40 0.1 . 1 . . . . . . . . 6058 1 1433 . 1 1 119 119 HIS CA C 13 57.20 0.1 . 1 . . . . . . . . 6058 1 1434 . 1 1 119 119 HIS HA H 1 4.45 0.01 . 1 . . . . . . . . 6058 1 1435 . 1 1 119 119 HIS C C 13 171.70 0.1 . 1 . . . . . . . . 6058 1 1436 . 1 1 119 119 HIS CB C 13 29.70 0.1 . 1 . . . . . . . . 6058 1 1437 . 1 1 119 119 HIS HB2 H 1 3.22 0.01 . 2 . . . . . . . . 6058 1 1438 . 1 1 119 119 HIS HB3 H 1 3.13 0.01 . 2 . . . . . . . . 6058 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_set_1 _Coupling_constant_list.Entry_ID 6058 _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 . . 1 $sample_1 . 6058 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_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_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 4 4 LYS H . . . . 1 1 4 4 LYS HA . . . 7.93 . . 0.5 . . . . . . . . . . . 6058 1 2 3JHNHA . 1 1 5 5 GLN H . . . . 1 1 5 5 GLN HA . . . 9.79 . . 0.5 . . . . . . . . . . . 6058 1 3 3JHNHA . 1 1 6 6 VAL H . . . . 1 1 6 6 VAL HA . . . 8.52 . . 0.5 . . . . . . . . . . . 6058 1 4 3JHNHA . 1 1 7 7 ILE H . . . . 1 1 7 7 ILE HA . . . 9.54 . . 0.5 . . . . . . . . . . . 6058 1 5 3JHNHA . 1 1 8 8 VAL H . . . . 1 1 8 8 VAL HA . . . 9.23 . . 0.5 . . . . . . . . . . . 6058 1 6 3JHNHA . 1 1 9 9 VAL H . . . . 1 1 9 9 VAL HA . . . 9.54 . . 0.5 . . . . . . . . . . . 6058 1 7 3JHNHA . 1 1 11 11 ASP H . . . . 1 1 11 11 ASP HA . . . 7.11 . . 0.5 . . . . . . . . . . . 6058 1 8 3JHNHA . 1 1 12 12 ASP H . . . . 1 1 12 12 ASP HA . . . 5.51 . . 0.5 . . . . . . . . . . . 6058 1 9 3JHNHA . 1 1 13 13 LEU H . . . . 1 1 13 13 LEU HA . . . 8.8 . . 0.5 . . . . . . . . . . . 6058 1 10 3JHNHA . 1 1 17 17 ARG H . . . . 1 1 17 17 ARG HA . . . 4.35 . . 0.5 . . . . . . . . . . . 6058 1 11 3JHNHA . 1 1 19 19 LYS H . . . . 1 1 19 19 LYS HA . . . 6.33 . . 0.5 . . . . . . . . . . . 6058 1 12 3JHNHA . 1 1 22 22 VAL H . . . . 1 1 22 22 VAL HA . . . 4.6 . . 0.5 . . . . . . . . . . . 6058 1 13 3JHNHA . 1 1 25 25 ALA H . . . . 1 1 25 25 ALA HA . . . 4.47 . . 0.5 . . . . . . . . . . . 6058 1 14 3JHNHA . 1 1 27 27 ALA H . . . . 1 1 27 27 ALA HA . . . 2.48 . . 0.5 . . . . . . . . . . . 6058 1 15 3JHNHA . 1 1 32 32 TYR H . . . . 1 1 32 32 TYR HA . . . 4.77 . . 0.5 . . . . . . . . . . . 6058 1 16 3JHNHA . 1 1 33 33 LEU H . . . . 1 1 33 33 LEU HA . . . 4.95 . . 0.5 . . . . . . . . . . . 6058 1 17 3JHNHA . 1 1 34 34 LYS H . . . . 1 1 34 34 LYS HA . . . 6.97 . . 0.5 . . . . . . . . . . . 6058 1 18 3JHNHA . 1 1 35 35 SER H . . . . 1 1 35 35 SER HA . . . 7.19 . . 0.5 . . . . . . . . . . . 6058 1 19 3JHNHA . 1 1 38 38 SER H . . . . 1 1 38 38 SER HA . . . 5.22 . . 0.5 . . . . . . . . . . . 6058 1 20 3JHNHA . 1 1 39 39 LEU H . . . . 1 1 39 39 LEU HA . . . 2.93 . . 0.5 . . . . . . . . . . . 6058 1 21 3JHNHA . 1 1 40 40 ARG H . . . . 1 1 40 40 ARG HA . . . 5.39 . . 0.5 . . . . . . . . . . . 6058 1 22 3JHNHA . 1 1 41 41 ARG H . . . . 1 1 41 41 ARG HA . . . 5.75 . . 0.5 . . . . . . . . . . . 6058 1 23 3JHNHA . 1 1 42 42 LYS H . . . . 1 1 42 42 LYS HA . . . 4.69 . . 0.5 . . . . . . . . . . . 6058 1 24 3JHNHA . 1 1 44 44 LEU H . . . . 1 1 44 44 LEU HA . . . 3.95 . . 0.5 . . . . . . . . . . . 6058 1 25 3JHNHA . 1 1 45 45 ASP H . . . . 1 1 45 45 ASP HA . . . 4.36 . . 0.5 . . . . . . . . . . . 6058 1 26 3JHNHA . 1 1 46 46 GLU H . . . . 1 1 46 46 GLU HA . . . 7.24 . . 0.5 . . . . . . . . . . . 6058 1 27 3JHNHA . 1 1 50 50 LYS H . . . . 1 1 50 50 LYS HA . . . 8.56 . . 0.5 . . . . . . . . . . . 6058 1 28 3JHNHA . 1 1 51 51 VAL H . . . . 1 1 51 51 VAL HA . . . 8.78 . . 0.5 . . . . . . . . . . . 6058 1 29 3JHNHA . 1 1 52 52 VAL H . . . . 1 1 52 52 VAL HA . . . 7.56 . . 0.5 . . . . . . . . . . . 6058 1 30 3JHNHA . 1 1 53 53 LEU H . . . . 1 1 53 53 LEU HA . . . 9.47 . . 0.5 . . . . . . . . . . . 6058 1 31 3JHNHA . 1 1 54 54 LYS H . . . . 1 1 54 54 LYS HA . . . 8.53 . . 0.5 . . . . . . . . . . . 6058 1 32 3JHNHA . 1 1 55 55 VAL H . . . . 1 1 55 55 VAL HA . . . 8.26 . . 0.5 . . . . . . . . . . . 6058 1 33 3JHNHA . 1 1 56 56 LYS H . . . . 1 1 56 56 LYS HA . . . 6.92 . . 0.5 . . . . . . . . . . . 6058 1 34 3JHNHA . 1 1 57 57 SER H . . . . 1 1 57 57 SER HA . . . 7.66 . . 0.5 . . . . . . . . . . . 6058 1 35 3JHNHA . 1 1 59 59 GLU H . . . . 1 1 59 59 GLU HA . . . 4.56 . . 0.5 . . . . . . . . . . . 6058 1 36 3JHNHA . 1 1 60 60 GLU H . . . . 1 1 60 60 GLU HA . . . 4.94 . . 0.5 . . . . . . . . . . . 6058 1 37 3JHNHA . 1 1 64 64 ILE H . . . . 1 1 64 64 ILE HA . . . 5.93 . . 0.5 . . . . . . . . . . . 6058 1 38 3JHNHA . 1 1 66 66 HIS H . . . . 1 1 66 66 HIS HA . . . 4.99 . . 0.5 . . . . . . . . . . . 6058 1 39 3JHNHA . 1 1 67 67 LYS H . . . . 1 1 67 67 LYS HA . . . 4.42 . . 0.5 . . . . . . . . . . . 6058 1 40 3JHNHA . 1 1 68 68 ALA H . . . . 1 1 68 68 ALA HA . . . 4.55 . . 0.5 . . . . . . . . . . . 6058 1 41 3JHNHA . 1 1 69 69 GLU H . . . . 1 1 69 69 GLU HA . . . 3.25 . . 0.5 . . . . . . . . . . . 6058 1 42 3JHNHA . 1 1 70 70 SER H . . . . 1 1 70 70 SER HA . . . 4.6 . . 0.5 . . . . . . . . . . . 6058 1 43 3JHNHA . 1 1 71 71 LEU H . . . . 1 1 71 71 LEU HA . . . 9.02 . . 0.5 . . . . . . . . . . . 6058 1 44 3JHNHA . 1 1 73 73 LEU H . . . . 1 1 73 73 LEU HA . . . 7.96 . . 0.5 . . . . . . . . . . . 6058 1 45 3JHNHA . 1 1 74 74 VAL H . . . . 1 1 74 74 VAL HA . . . 6.54 . . 0.5 . . . . . . . . . . . 6058 1 46 3JHNHA . 1 1 75 75 THR H . . . . 1 1 75 75 THR HA . . . 9.47 . . 0.5 . . . . . . . . . . . 6058 1 47 3JHNHA . 1 1 77 77 LEU H . . . . 1 1 77 77 LEU HA . . . 7.83 . . 0.5 . . . . . . . . . . . 6058 1 48 3JHNHA . 1 1 78 78 VAL H . . . . 1 1 78 78 VAL HA . . . 6.33 . . 0.5 . . . . . . . . . . . 6058 1 49 3JHNHA . 1 1 79 79 GLN H . . . . 1 1 79 79 GLN HA . . . 8.7 . . 0.5 . . . . . . . . . . . 6058 1 50 3JHNHA . 1 1 80 80 ASP H . . . . 1 1 80 80 ASP HA . . . 7.50 . . 0.5 . . . . . . . . . . . 6058 1 51 3JHNHA . 1 1 90 90 THR H . . . . 1 1 90 90 THR HA . . . 4.76 . . 0.5 . . . . . . . . . . . 6058 1 52 3JHNHA . 1 1 91 91 ILE H . . . . 1 1 91 91 ILE HA . . . 6.66 . . 0.5 . . . . . . . . . . . 6058 1 53 3JHNHA . 1 1 93 93 ALA H . . . . 1 1 93 93 ALA HA . . . 5.59 . . 0.5 . . . . . . . . . . . 6058 1 54 3JHNHA . 1 1 94 94 VAL H . . . . 1 1 94 94 VAL HA . . . 9.48 . . 0.5 . . . . . . . . . . . 6058 1 55 3JHNHA . 1 1 95 95 VAL H . . . . 1 1 95 95 VAL HA . . . 9.48 . . 0.5 . . . . . . . . . . . 6058 1 56 3JHNHA . 1 1 96 96 ILE H . . . . 1 1 96 96 ILE HA . . . 8.01 . . 0.5 . . . . . . . . . . . 6058 1 57 3JHNHA . 1 1 102 102 ARG H . . . . 1 1 102 102 ARG HA . . . 4.39 . . 0.5 . . . . . . . . . . . 6058 1 58 3JHNHA . 1 1 103 103 LYS H . . . . 1 1 103 103 LYS HA . . . 7.49 . . 0.5 . . . . . . . . . . . 6058 1 59 3JHNHA . 1 1 105 105 ASP H . . . . 1 1 105 105 ASP HA . . . 4.5 . . 0.5 . . . . . . . . . . . 6058 1 60 3JHNHA . 1 1 106 106 LYS H . . . . 1 1 106 106 LYS HA . . . 5.89 . . 0.5 . . . . . . . . . . . 6058 1 61 3JHNHA . 1 1 107 107 VAL H . . . . 1 1 107 107 VAL HA . . . 7.95 . . 0.5 . . . . . . . . . . . 6058 1 62 3JHNHA . 1 1 108 108 THR H . . . . 1 1 108 108 THR HA . . . 8.93 . . 0.5 . . . . . . . . . . . 6058 1 63 3JHNHA . 1 1 110 110 ASN H . . . . 1 1 110 110 ASN HA . . . 8.73 . . 0.5 . . . . . . . . . . . 6058 1 64 3JHNHA . 1 1 111 111 LEU H . . . . 1 1 111 111 LEU HA . . . 6.52 . . 0.5 . . . . . . . . . . . 6058 1 65 3JHNHA . 1 1 114 114 LEU H . . . . 1 1 114 114 LEU HA . . . 6.44 . . 0.5 . . . . . . . . . . . 6058 1 66 3JHNHA . 1 1 115 115 LYS H . . . . 1 1 115 115 LYS HA . . . 6.49 . . 0.5 . . . . . . . . . . . 6058 1 67 3JHNHA . 1 1 116 116 LEU H . . . . 1 1 116 116 LEU HA . . . 7.44 . . 0.5 . . . . . . . . . . . 6058 1 68 3JHNHA . 1 1 117 117 GLU H . . . . 1 1 117 117 GLU HA . . . 6.32 . . 0.5 . . . . . . . . . . . 6058 1 69 3JHNHA . 1 1 118 118 HIS H . . . . 1 1 118 118 HIS HA . . . 7.72 . . 0.5 . . . . . . . . . . . 6058 1 70 3JHNHA . 1 1 119 119 HIS H . . . . 1 1 119 119 HIS HA . . . 7.69 . . 0.5 . . . . . . . . . . . 6058 1 stop_ save_