data_5813 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5813 _Entry.Title ; The solution structure of the whole N-terminal domain of the ATPase CopA from Bacillus Subtilis. Implications for the function ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-05-31 _Entry.Accession_date 2003-06-02 _Entry.Last_release_date . _Entry.Original_release_date . _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 L. Banci . . . 5813 2 I. Bertini . . . 5813 3 S. Ciofi-Baffoni . . . 5813 4 L. Gonnelli . . . 5813 5 X. Su . C. . 5813 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5813 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 552 5813 '15N chemical shifts' 156 5813 '1H chemical shifts' 947 5813 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2003-12-18 . original author 'original release' 5813 1 . . 2004-01-21 . update BMRB 'update the citation' 5813 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5813 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14514665 _Citation.Full_citation . _Citation.Title ; Structural basis for the function of the N terminal domain of the ATPase CopA from Bacillus subtilis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 278 _Citation.Journal_issue 50 _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 50506 _Citation.Page_last 50513 _Citation.Year 2003 _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 L. Banci . . . 5813 1 2 I. Bertini . . . 5813 1 3 S. Ciofi-Baffoni . . . 5813 1 4 L. Gonnelli . . . 5813 1 5 X. Su . C. . 5813 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CopA 5813 1 copper 5813 1 folding 5813 1 interaction 5813 1 'P-type ATPase' 5813 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CopA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CopA _Assembly.Entry_ID 5813 _Assembly.ID 1 _Assembly.Name 'Potential copper-transporting ATPase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _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 5813 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 CopA 1 $CopAab . . . native . . . . . 5813 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1P6T . . . . . . 5813 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID CopA abbreviation 5813 1 'Potential copper-transporting ATPase' system 5813 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CopAab _Entity.Sf_category entity _Entity.Sf_framecode CopAab _Entity.Entry_ID 5813 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'copper-transporting ATPase CopA' _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 ; MLSEQKEIAMQVSGMTCAAC AARIEKGLKRMPGVTDANVN LATETVNVIYDPAETGTAAI QEKIEKLGYHVVTEKAEFDI EGMTCAACANRIEKRLNKIE GVANAPVNFALETVTVEYNP KEASVSDLKEAVDKLGYKLK LKGEQDSIEGR ; _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 151 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16380.7 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 1P6T . "Structure Characterization Of The Water Soluble Region Of P- Type Atpase Copa From Bacillus Subtilis" . . . . . 100.00 151 100.00 100.00 5.19e-104 . . . . 5813 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CopA abbreviation 5813 1 'copper-transporting ATPase CopA' common 5813 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 . 5813 1 2 . LEU . 5813 1 3 . SER . 5813 1 4 . GLU . 5813 1 5 . GLN . 5813 1 6 . LYS . 5813 1 7 . GLU . 5813 1 8 . ILE . 5813 1 9 . ALA . 5813 1 10 . MET . 5813 1 11 . GLN . 5813 1 12 . VAL . 5813 1 13 . SER . 5813 1 14 . GLY . 5813 1 15 . MET . 5813 1 16 . THR . 5813 1 17 . CYS . 5813 1 18 . ALA . 5813 1 19 . ALA . 5813 1 20 . CYS . 5813 1 21 . ALA . 5813 1 22 . ALA . 5813 1 23 . ARG . 5813 1 24 . ILE . 5813 1 25 . GLU . 5813 1 26 . LYS . 5813 1 27 . GLY . 5813 1 28 . LEU . 5813 1 29 . LYS . 5813 1 30 . ARG . 5813 1 31 . MET . 5813 1 32 . PRO . 5813 1 33 . GLY . 5813 1 34 . VAL . 5813 1 35 . THR . 5813 1 36 . ASP . 5813 1 37 . ALA . 5813 1 38 . ASN . 5813 1 39 . VAL . 5813 1 40 . ASN . 5813 1 41 . LEU . 5813 1 42 . ALA . 5813 1 43 . THR . 5813 1 44 . GLU . 5813 1 45 . THR . 5813 1 46 . VAL . 5813 1 47 . ASN . 5813 1 48 . VAL . 5813 1 49 . ILE . 5813 1 50 . TYR . 5813 1 51 . ASP . 5813 1 52 . PRO . 5813 1 53 . ALA . 5813 1 54 . GLU . 5813 1 55 . THR . 5813 1 56 . GLY . 5813 1 57 . THR . 5813 1 58 . ALA . 5813 1 59 . ALA . 5813 1 60 . ILE . 5813 1 61 . GLN . 5813 1 62 . GLU . 5813 1 63 . LYS . 5813 1 64 . ILE . 5813 1 65 . GLU . 5813 1 66 . LYS . 5813 1 67 . LEU . 5813 1 68 . GLY . 5813 1 69 . TYR . 5813 1 70 . HIS . 5813 1 71 . VAL . 5813 1 72 . VAL . 5813 1 73 . THR . 5813 1 74 . GLU . 5813 1 75 . LYS . 5813 1 76 . ALA . 5813 1 77 . GLU . 5813 1 78 . PHE . 5813 1 79 . ASP . 5813 1 80 . ILE . 5813 1 81 . GLU . 5813 1 82 . GLY . 5813 1 83 . MET . 5813 1 84 . THR . 5813 1 85 . CYS . 5813 1 86 . ALA . 5813 1 87 . ALA . 5813 1 88 . CYS . 5813 1 89 . ALA . 5813 1 90 . ASN . 5813 1 91 . ARG . 5813 1 92 . ILE . 5813 1 93 . GLU . 5813 1 94 . LYS . 5813 1 95 . ARG . 5813 1 96 . LEU . 5813 1 97 . ASN . 5813 1 98 . LYS . 5813 1 99 . ILE . 5813 1 100 . GLU . 5813 1 101 . GLY . 5813 1 102 . VAL . 5813 1 103 . ALA . 5813 1 104 . ASN . 5813 1 105 . ALA . 5813 1 106 . PRO . 5813 1 107 . VAL . 5813 1 108 . ASN . 5813 1 109 . PHE . 5813 1 110 . ALA . 5813 1 111 . LEU . 5813 1 112 . GLU . 5813 1 113 . THR . 5813 1 114 . VAL . 5813 1 115 . THR . 5813 1 116 . VAL . 5813 1 117 . GLU . 5813 1 118 . TYR . 5813 1 119 . ASN . 5813 1 120 . PRO . 5813 1 121 . LYS . 5813 1 122 . GLU . 5813 1 123 . ALA . 5813 1 124 . SER . 5813 1 125 . VAL . 5813 1 126 . SER . 5813 1 127 . ASP . 5813 1 128 . LEU . 5813 1 129 . LYS . 5813 1 130 . GLU . 5813 1 131 . ALA . 5813 1 132 . VAL . 5813 1 133 . ASP . 5813 1 134 . LYS . 5813 1 135 . LEU . 5813 1 136 . GLY . 5813 1 137 . TYR . 5813 1 138 . LYS . 5813 1 139 . LEU . 5813 1 140 . LYS . 5813 1 141 . LEU . 5813 1 142 . LYS . 5813 1 143 . GLY . 5813 1 144 . GLU . 5813 1 145 . GLN . 5813 1 146 . ASP . 5813 1 147 . SER . 5813 1 148 . ILE . 5813 1 149 . GLU . 5813 1 150 . GLY . 5813 1 151 . ARG . 5813 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 5813 1 . LEU 2 2 5813 1 . SER 3 3 5813 1 . GLU 4 4 5813 1 . GLN 5 5 5813 1 . LYS 6 6 5813 1 . GLU 7 7 5813 1 . ILE 8 8 5813 1 . ALA 9 9 5813 1 . MET 10 10 5813 1 . GLN 11 11 5813 1 . VAL 12 12 5813 1 . SER 13 13 5813 1 . GLY 14 14 5813 1 . MET 15 15 5813 1 . THR 16 16 5813 1 . CYS 17 17 5813 1 . ALA 18 18 5813 1 . ALA 19 19 5813 1 . CYS 20 20 5813 1 . ALA 21 21 5813 1 . ALA 22 22 5813 1 . ARG 23 23 5813 1 . ILE 24 24 5813 1 . GLU 25 25 5813 1 . LYS 26 26 5813 1 . GLY 27 27 5813 1 . LEU 28 28 5813 1 . LYS 29 29 5813 1 . ARG 30 30 5813 1 . MET 31 31 5813 1 . PRO 32 32 5813 1 . GLY 33 33 5813 1 . VAL 34 34 5813 1 . THR 35 35 5813 1 . ASP 36 36 5813 1 . ALA 37 37 5813 1 . ASN 38 38 5813 1 . VAL 39 39 5813 1 . ASN 40 40 5813 1 . LEU 41 41 5813 1 . ALA 42 42 5813 1 . THR 43 43 5813 1 . GLU 44 44 5813 1 . THR 45 45 5813 1 . VAL 46 46 5813 1 . ASN 47 47 5813 1 . VAL 48 48 5813 1 . ILE 49 49 5813 1 . TYR 50 50 5813 1 . ASP 51 51 5813 1 . PRO 52 52 5813 1 . ALA 53 53 5813 1 . GLU 54 54 5813 1 . THR 55 55 5813 1 . GLY 56 56 5813 1 . THR 57 57 5813 1 . ALA 58 58 5813 1 . ALA 59 59 5813 1 . ILE 60 60 5813 1 . GLN 61 61 5813 1 . GLU 62 62 5813 1 . LYS 63 63 5813 1 . ILE 64 64 5813 1 . GLU 65 65 5813 1 . LYS 66 66 5813 1 . LEU 67 67 5813 1 . GLY 68 68 5813 1 . TYR 69 69 5813 1 . HIS 70 70 5813 1 . VAL 71 71 5813 1 . VAL 72 72 5813 1 . THR 73 73 5813 1 . GLU 74 74 5813 1 . LYS 75 75 5813 1 . ALA 76 76 5813 1 . GLU 77 77 5813 1 . PHE 78 78 5813 1 . ASP 79 79 5813 1 . ILE 80 80 5813 1 . GLU 81 81 5813 1 . GLY 82 82 5813 1 . MET 83 83 5813 1 . THR 84 84 5813 1 . CYS 85 85 5813 1 . ALA 86 86 5813 1 . ALA 87 87 5813 1 . CYS 88 88 5813 1 . ALA 89 89 5813 1 . ASN 90 90 5813 1 . ARG 91 91 5813 1 . ILE 92 92 5813 1 . GLU 93 93 5813 1 . LYS 94 94 5813 1 . ARG 95 95 5813 1 . LEU 96 96 5813 1 . ASN 97 97 5813 1 . LYS 98 98 5813 1 . ILE 99 99 5813 1 . GLU 100 100 5813 1 . GLY 101 101 5813 1 . VAL 102 102 5813 1 . ALA 103 103 5813 1 . ASN 104 104 5813 1 . ALA 105 105 5813 1 . PRO 106 106 5813 1 . VAL 107 107 5813 1 . ASN 108 108 5813 1 . PHE 109 109 5813 1 . ALA 110 110 5813 1 . LEU 111 111 5813 1 . GLU 112 112 5813 1 . THR 113 113 5813 1 . VAL 114 114 5813 1 . THR 115 115 5813 1 . VAL 116 116 5813 1 . GLU 117 117 5813 1 . TYR 118 118 5813 1 . ASN 119 119 5813 1 . PRO 120 120 5813 1 . LYS 121 121 5813 1 . GLU 122 122 5813 1 . ALA 123 123 5813 1 . SER 124 124 5813 1 . VAL 125 125 5813 1 . SER 126 126 5813 1 . ASP 127 127 5813 1 . LEU 128 128 5813 1 . LYS 129 129 5813 1 . GLU 130 130 5813 1 . ALA 131 131 5813 1 . VAL 132 132 5813 1 . ASP 133 133 5813 1 . LYS 134 134 5813 1 . LEU 135 135 5813 1 . GLY 136 136 5813 1 . TYR 137 137 5813 1 . LYS 138 138 5813 1 . LEU 139 139 5813 1 . LYS 140 140 5813 1 . LEU 141 141 5813 1 . LYS 142 142 5813 1 . GLY 143 143 5813 1 . GLU 144 144 5813 1 . GLN 145 145 5813 1 . ASP 146 146 5813 1 . SER 147 147 5813 1 . ILE 148 148 5813 1 . GLU 149 149 5813 1 . GLY 150 150 5813 1 . ARG 151 151 5813 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 5813 _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 $CopAab . 224308 . . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis 'BL21DE3 pLysS' . . . . . . . . . . . . . . . yvgx . . . . 5813 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 5813 _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 $CopAab . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli PLYSS . . . . . . . . . . . . plasmide . . PET21a . . . . . . 5813 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5813 _Sample.ID 1 _Sample.Type bicell_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 'copper-transporting ATPase CopA' '[U-95% 13C; U-90% 15N]' . . 1 $CopAab . . 1.5 . . mM . . . . 5813 1 2 phosphate . . . . . . . 20 . . mM . . . . 5813 1 3 H2O . . . . . . . 90 . . % . . . . 5813 1 4 D2O . . . . . . . 10 . . % . . . . 5813 1 5 DTT . . . . . . . 2.0 . . mM . . . . 5813 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5813 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 22 0.05 mM 5813 1 pH 7.0 0.1 n/a 5813 1 pressure 1 0.01 atm 5813 1 temperature 298 0.1 K 5813 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5813 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details BRUKER loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5813 1 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 5813 _Software.ID 2 _Software.Name DYANA _Software.Version 1.5 _Software.Details 'Gunter, Mumenthaler, Wuthrich' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5813 2 stop_ save_ save_Xeasy _Software.Sf_category software _Software.Sf_framecode Xeasy _Software.Entry_ID 5813 _Software.ID 3 _Software.Name XEASY _Software.Version 1.3 _Software.Details 'Xia, Bartels' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5813 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 5813 _Software.ID 4 _Software.Name AMBER _Software.Version 5.0 _Software.Details 'Pearlman, Case, Caldwell, Ross, Cheatham, Ferguson, Seibel, Singh, Weiner, Kollman' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5813 4 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 5813 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5813 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5813 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5813 _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 . 800 . . . 5813 1 2 NMR_spectrometer_2 Bruker AVANCE . 700 . . . 5813 1 3 NMR_spectrometer_3 Bruker AVANCE . 500 . . . 5813 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 5813 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5813 1 2 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5813 1 3 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5813 1 4 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5813 1 5 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5813 1 6 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5813 1 7 CC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5813 1 8 (H)CCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5813 1 9 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5813 1 10 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5813 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 5813 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5813 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D TOCSY' _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 5813 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 13C-separated 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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5813 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 15N-separated 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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5813 _NMR_spec_expt.ID 5 _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5813 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNHB _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5813 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CC(CO)NH _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5813 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name (H)CCH-TOCSY _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5813 _NMR_spec_expt.ID 9 _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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5813 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name CBCA(CO)NH _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 5813 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 5813 1 H 1 TMS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 internal cylindrical parallel . . . . . . 5813 1 N 15 TMS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 5813 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5813 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_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 ; several unassigned signals were observed that may correspond to a minor conformation species ; _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 $sample_1 . 5813 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 LEU C C 13 174.284 0.1 . 1 . . . . . . . . 5813 1 2 . 1 1 3 3 SER N N 15 116.612 0.1 . 1 . . . . . . . . 5813 1 3 . 1 1 3 3 SER H H 1 8.268 0.1 . 1 . . . . . . . . 5813 1 4 . 1 1 3 3 SER CA C 13 55.486 0.1 . 1 . . . . . . . . 5813 1 5 . 1 1 3 3 SER HA H 1 4.348 0.1 . 1 . . . . . . . . 5813 1 6 . 1 1 3 3 SER HB2 H 1 3.742 0.1 . 1 . . . . . . . . 5813 1 7 . 1 1 3 3 SER C C 13 171.457 0.1 . 1 . . . . . . . . 5813 1 8 . 1 1 4 4 GLU N N 15 122.652 0.1 . 1 . . . . . . . . 5813 1 9 . 1 1 4 4 GLU H H 1 8.401 0.1 . 1 . . . . . . . . 5813 1 10 . 1 1 4 4 GLU CA C 13 53.607 0.1 . 1 . . . . . . . . 5813 1 11 . 1 1 4 4 GLU HA H 1 4.218 0.1 . 1 . . . . . . . . 5813 1 12 . 1 1 4 4 GLU CB C 13 28.241 0.1 . 1 . . . . . . . . 5813 1 13 . 1 1 4 4 GLU HB2 H 1 1.904 0.1 . 1 . . . . . . . . 5813 1 14 . 1 1 4 4 GLU HB3 H 1 1.806 0.1 . 1 . . . . . . . . 5813 1 15 . 1 1 4 4 GLU CG C 13 33.565 0.1 . 1 . . . . . . . . 5813 1 16 . 1 1 4 4 GLU HG2 H 1 2.101 0.1 . 1 . . . . . . . . 5813 1 17 . 1 1 4 4 GLU HG3 H 1 2.042 0.1 . 1 . . . . . . . . 5813 1 18 . 1 1 4 4 GLU C C 13 172.726 0.1 . 1 . . . . . . . . 5813 1 19 . 1 1 5 5 GLN N N 15 118.947 0.1 . 1 . . . . . . . . 5813 1 20 . 1 1 5 5 GLN H H 1 7.970 0.1 . 1 . . . . . . . . 5813 1 21 . 1 1 5 5 GLN CA C 13 52.354 0.1 . 1 . . . . . . . . 5813 1 22 . 1 1 5 5 GLN HA H 1 4.430 0.1 . 1 . . . . . . . . 5813 1 23 . 1 1 5 5 GLN CB C 13 27.928 0.1 . 1 . . . . . . . . 5813 1 24 . 1 1 5 5 GLN HB2 H 1 1.777 0.1 . 1 . . . . . . . . 5813 1 25 . 1 1 5 5 GLN HB3 H 1 1.640 0.1 . 1 . . . . . . . . 5813 1 26 . 1 1 5 5 GLN CG C 13 31.686 0.1 . 1 . . . . . . . . 5813 1 27 . 1 1 5 5 GLN HG2 H 1 2.087 0.1 . 1 . . . . . . . . 5813 1 28 . 1 1 5 5 GLN HG3 H 1 2.016 0.1 . 1 . . . . . . . . 5813 1 29 . 1 1 5 5 GLN NE2 N 15 111.127 0.1 . 1 . . . . . . . . 5813 1 30 . 1 1 5 5 GLN HE21 H 1 7.326 0.1 . 1 . . . . . . . . 5813 1 31 . 1 1 5 5 GLN HE22 H 1 6.528 0.1 . 1 . . . . . . . . 5813 1 32 . 1 1 5 5 GLN C C 13 172.098 0.1 . 1 . . . . . . . . 5813 1 33 . 1 1 6 6 LYS N N 15 122.628 0.1 . 1 . . . . . . . . 5813 1 34 . 1 1 6 6 LYS H H 1 8.581 0.1 . 1 . . . . . . . . 5813 1 35 . 1 1 6 6 LYS CA C 13 51.415 0.1 . 1 . . . . . . . . 5813 1 36 . 1 1 6 6 LYS HA H 1 4.352 0.1 . 1 . . . . . . . . 5813 1 37 . 1 1 6 6 LYS CB C 13 32.939 0.1 . 1 . . . . . . . . 5813 1 38 . 1 1 6 6 LYS HB2 H 1 1.186 0.1 . 1 . . . . . . . . 5813 1 39 . 1 1 6 6 LYS HB3 H 1 0.683 0.1 . 1 . . . . . . . . 5813 1 40 . 1 1 6 6 LYS CG C 13 22.918 0.1 . 1 . . . . . . . . 5813 1 41 . 1 1 6 6 LYS HG2 H 1 1.103 0.1 . 1 . . . . . . . . 5813 1 42 . 1 1 6 6 LYS CD C 13 26.362 0.1 . 1 . . . . . . . . 5813 1 43 . 1 1 6 6 LYS HD2 H 1 1.580 0.1 . 1 . . . . . . . . 5813 1 44 . 1 1 6 6 LYS CE C 13 39.515 0.1 . 1 . . . . . . . . 5813 1 45 . 1 1 6 6 LYS HE2 H 1 2.920 0.1 . 1 . . . . . . . . 5813 1 46 . 1 1 6 6 LYS C C 13 174.067 0.1 . 1 . . . . . . . . 5813 1 47 . 1 1 7 7 GLU N N 15 120.161 0.1 . 1 . . . . . . . . 5813 1 48 . 1 1 7 7 GLU H H 1 8.119 0.1 . 1 . . . . . . . . 5813 1 49 . 1 1 7 7 GLU CA C 13 51.415 0.1 . 1 . . . . . . . . 5813 1 50 . 1 1 7 7 GLU HA H 1 5.476 0.1 . 1 . . . . . . . . 5813 1 51 . 1 1 7 7 GLU CB C 13 29.807 0.1 . 1 . . . . . . . . 5813 1 52 . 1 1 7 7 GLU HB2 H 1 1.827 0.1 . 1 . . . . . . . . 5813 1 53 . 1 1 7 7 GLU HB3 H 1 1.710 0.1 . 1 . . . . . . . . 5813 1 54 . 1 1 7 7 GLU CG C 13 33.565 0.1 . 1 . . . . . . . . 5813 1 55 . 1 1 7 7 GLU HG2 H 1 1.988 0.1 . 1 . . . . . . . . 5813 1 56 . 1 1 7 7 GLU C C 13 173.325 0.1 . 1 . . . . . . . . 5813 1 57 . 1 1 8 8 ILE N N 15 121.774 0.1 . 1 . . . . . . . . 5813 1 58 . 1 1 8 8 ILE H H 1 9.043 0.1 . 1 . . . . . . . . 5813 1 59 . 1 1 8 8 ILE CA C 13 55.799 0.1 . 1 . . . . . . . . 5813 1 60 . 1 1 8 8 ILE HA H 1 4.790 0.1 . 1 . . . . . . . . 5813 1 61 . 1 1 8 8 ILE CB C 13 39.828 0.1 . 1 . . . . . . . . 5813 1 62 . 1 1 8 8 ILE HB H 1 1.820 0.1 . 1 . . . . . . . . 5813 1 63 . 1 1 8 8 ILE HG21 H 1 0.865 0.1 . 1 . . . . . . . . 5813 1 64 . 1 1 8 8 ILE HG22 H 1 0.865 0.1 . 1 . . . . . . . . 5813 1 65 . 1 1 8 8 ILE HG23 H 1 0.865 0.1 . 1 . . . . . . . . 5813 1 66 . 1 1 8 8 ILE CG2 C 13 15.402 0.1 . 1 . . . . . . . . 5813 1 67 . 1 1 8 8 ILE CG1 C 13 25.423 0.1 . 1 . . . . . . . . 5813 1 68 . 1 1 8 8 ILE HG12 H 1 1.345 0.1 . 1 . . . . . . . . 5813 1 69 . 1 1 8 8 ILE HG13 H 1 1.035 0.1 . 1 . . . . . . . . 5813 1 70 . 1 1 8 8 ILE HD11 H 1 0.838 0.1 . 1 . . . . . . . . 5813 1 71 . 1 1 8 8 ILE HD12 H 1 0.838 0.1 . 1 . . . . . . . . 5813 1 72 . 1 1 8 8 ILE HD13 H 1 0.838 0.1 . 1 . . . . . . . . 5813 1 73 . 1 1 8 8 ILE CD1 C 13 11.957 0.1 . 1 . . . . . . . . 5813 1 74 . 1 1 8 8 ILE C C 13 169.091 0.1 . 1 . . . . . . . . 5813 1 75 . 1 1 9 9 ALA N N 15 127.425 0.1 . 1 . . . . . . . . 5813 1 76 . 1 1 9 9 ALA H H 1 8.389 0.1 . 1 . . . . . . . . 5813 1 77 . 1 1 9 9 ALA CA C 13 47.344 0.1 . 1 . . . . . . . . 5813 1 78 . 1 1 9 9 ALA HA H 1 5.417 0.1 . 1 . . . . . . . . 5813 1 79 . 1 1 9 9 ALA HB1 H 1 1.134 0.1 . 1 . . . . . . . . 5813 1 80 . 1 1 9 9 ALA HB2 H 1 1.134 0.1 . 1 . . . . . . . . 5813 1 81 . 1 1 9 9 ALA HB3 H 1 1.134 0.1 . 1 . . . . . . . . 5813 1 82 . 1 1 9 9 ALA CB C 13 18.847 0.1 . 1 . . . . . . . . 5813 1 83 . 1 1 9 9 ALA C C 13 173.807 0.1 . 1 . . . . . . . . 5813 1 84 . 1 1 10 10 MET N N 15 116.690 0.1 . 1 . . . . . . . . 5813 1 85 . 1 1 10 10 MET H H 1 8.701 0.1 . 1 . . . . . . . . 5813 1 86 . 1 1 10 10 MET CA C 13 51.728 0.1 . 1 . . . . . . . . 5813 1 87 . 1 1 10 10 MET HA H 1 4.494 0.1 . 1 . . . . . . . . 5813 1 88 . 1 1 10 10 MET CB C 13 34.191 0.1 . 1 . . . . . . . . 5813 1 89 . 1 1 10 10 MET HB2 H 1 1.882 0.1 . 1 . . . . . . . . 5813 1 90 . 1 1 10 10 MET HB3 H 1 1.567 0.1 . 1 . . . . . . . . 5813 1 91 . 1 1 10 10 MET CG C 13 29.494 0.1 . 1 . . . . . . . . 5813 1 92 . 1 1 10 10 MET HG2 H 1 2.322 0.1 . 1 . . . . . . . . 5813 1 93 . 1 1 10 10 MET HG3 H 1 2.145 0.1 . 1 . . . . . . . . 5813 1 94 . 1 1 10 10 MET C C 13 171.073 0.1 . 1 . . . . . . . . 5813 1 95 . 1 1 11 11 GLN N N 15 125.597 0.1 . 1 . . . . . . . . 5813 1 96 . 1 1 11 11 GLN H H 1 9.688 0.1 . 1 . . . . . . . . 5813 1 97 . 1 1 11 11 GLN CA C 13 52.041 0.1 . 1 . . . . . . . . 5813 1 98 . 1 1 11 11 GLN HA H 1 4.986 0.1 . 1 . . . . . . . . 5813 1 99 . 1 1 11 11 GLN CB C 13 26.676 0.1 . 1 . . . . . . . . 5813 1 100 . 1 1 11 11 GLN HB2 H 1 1.968 0.1 . 1 . . . . . . . . 5813 1 101 . 1 1 11 11 GLN HB3 H 1 1.843 0.1 . 1 . . . . . . . . 5813 1 102 . 1 1 11 11 GLN CG C 13 31.373 0.1 . 1 . . . . . . . . 5813 1 103 . 1 1 11 11 GLN HG2 H 1 2.441 0.1 . 1 . . . . . . . . 5813 1 104 . 1 1 11 11 GLN HG3 H 1 2.132 0.1 . 1 . . . . . . . . 5813 1 105 . 1 1 11 11 GLN NE2 N 15 109.994 0.1 . 1 . . . . . . . . 5813 1 106 . 1 1 11 11 GLN HE21 H 1 7.438 0.1 . 1 . . . . . . . . 5813 1 107 . 1 1 11 11 GLN HE22 H 1 6.730 0.1 . 1 . . . . . . . . 5813 1 108 . 1 1 11 11 GLN C C 13 172.212 0.1 . 1 . . . . . . . . 5813 1 109 . 1 1 12 12 VAL N N 15 124.329 0.1 . 1 . . . . . . . . 5813 1 110 . 1 1 12 12 VAL H H 1 8.507 0.1 . 1 . . . . . . . . 5813 1 111 . 1 1 12 12 VAL CA C 13 57.364 0.1 . 1 . . . . . . . . 5813 1 112 . 1 1 12 12 VAL HA H 1 5.035 0.1 . 1 . . . . . . . . 5813 1 113 . 1 1 12 12 VAL CB C 13 32.939 0.1 . 1 . . . . . . . . 5813 1 114 . 1 1 12 12 VAL HB H 1 1.549 0.1 . 1 . . . . . . . . 5813 1 115 . 1 1 12 12 VAL HG11 H 1 0.670 0.1 . 1 . . . . . . . . 5813 1 116 . 1 1 12 12 VAL HG12 H 1 0.670 0.1 . 1 . . . . . . . . 5813 1 117 . 1 1 12 12 VAL HG13 H 1 0.670 0.1 . 1 . . . . . . . . 5813 1 118 . 1 1 12 12 VAL HG21 H 1 0.644 0.1 . 1 . . . . . . . . 5813 1 119 . 1 1 12 12 VAL HG22 H 1 0.644 0.1 . 1 . . . . . . . . 5813 1 120 . 1 1 12 12 VAL HG23 H 1 0.644 0.1 . 1 . . . . . . . . 5813 1 121 . 1 1 12 12 VAL CG1 C 13 19.473 0.1 . 1 . . . . . . . . 5813 1 122 . 1 1 12 12 VAL CG2 C 13 19.473 0.1 . 1 . . . . . . . . 5813 1 123 . 1 1 12 12 VAL C C 13 172.722 0.1 . 1 . . . . . . . . 5813 1 124 . 1 1 13 13 SER N N 15 122.065 0.1 . 1 . . . . . . . . 5813 1 125 . 1 1 13 13 SER H H 1 9.516 0.1 . 1 . . . . . . . . 5813 1 126 . 1 1 13 13 SER CA C 13 54.233 0.1 . 1 . . . . . . . . 5813 1 127 . 1 1 13 13 SER HA H 1 4.834 0.1 . 1 . . . . . . . . 5813 1 128 . 1 1 13 13 SER CB C 13 63.001 0.1 . 1 . . . . . . . . 5813 1 129 . 1 1 13 13 SER HB2 H 1 3.860 0.1 . 1 . . . . . . . . 5813 1 130 . 1 1 13 13 SER HB3 H 1 3.656 0.1 . 1 . . . . . . . . 5813 1 131 . 1 1 13 13 SER C C 13 171.575 0.1 . 1 . . . . . . . . 5813 1 132 . 1 1 14 14 GLY N N 15 108.729 0.1 . 1 . . . . . . . . 5813 1 133 . 1 1 14 14 GLY H H 1 8.536 0.1 . 1 . . . . . . . . 5813 1 134 . 1 1 14 14 GLY HA2 H 1 4.653 0.1 . 1 . . . . . . . . 5813 1 135 . 1 1 14 14 GLY C C 13 172.609 0.1 . 1 . . . . . . . . 5813 1 136 . 1 1 15 15 MET N N 15 120.645 0.1 . 1 . . . . . . . . 5813 1 137 . 1 1 15 15 MET H H 1 9.110 0.1 . 1 . . . . . . . . 5813 1 138 . 1 1 15 15 MET CA C 13 53.920 0.1 . 1 . . . . . . . . 5813 1 139 . 1 1 15 15 MET HA H 1 4.813 0.1 . 1 . . . . . . . . 5813 1 140 . 1 1 15 15 MET CB C 13 31.060 0.1 . 1 . . . . . . . . 5813 1 141 . 1 1 15 15 MET HB2 H 1 2.384 0.1 . 1 . . . . . . . . 5813 1 142 . 1 1 15 15 MET HB3 H 1 1.374 0.1 . 1 . . . . . . . . 5813 1 143 . 1 1 15 15 MET CG C 13 28.554 0.1 . 1 . . . . . . . . 5813 1 144 . 1 1 15 15 MET HG2 H 1 2.015 0.1 . 1 . . . . . . . . 5813 1 145 . 1 1 15 15 MET HG3 H 1 1.367 0.1 . 1 . . . . . . . . 5813 1 146 . 1 1 15 15 MET C C 13 175.206 0.1 . 1 . . . . . . . . 5813 1 147 . 1 1 16 16 THR N N 15 117.957 0.1 . 1 . . . . . . . . 5813 1 148 . 1 1 16 16 THR H H 1 10.267 0.1 . 1 . . . . . . . . 5813 1 149 . 1 1 16 16 THR CA C 13 59.870 0.1 . 1 . . . . . . . . 5813 1 150 . 1 1 16 16 THR HA H 1 4.506 0.1 . 1 . . . . . . . . 5813 1 151 . 1 1 16 16 THR CB C 13 68.325 0.1 . 1 . . . . . . . . 5813 1 152 . 1 1 16 16 THR HB H 1 4.257 0.1 . 1 . . . . . . . . 5813 1 153 . 1 1 16 16 THR HG21 H 1 1.121 0.1 . 1 . . . . . . . . 5813 1 154 . 1 1 16 16 THR HG22 H 1 1.121 0.1 . 1 . . . . . . . . 5813 1 155 . 1 1 16 16 THR HG23 H 1 1.121 0.1 . 1 . . . . . . . . 5813 1 156 . 1 1 16 16 THR CG2 C 13 18.847 0.1 . 1 . . . . . . . . 5813 1 157 . 1 1 16 16 THR C C 13 172.061 0.1 . 1 . . . . . . . . 5813 1 158 . 1 1 17 17 CYS N N 15 115.831 0.1 . 1 . . . . . . . . 5813 1 159 . 1 1 17 17 CYS H H 1 8.033 0.1 . 1 . . . . . . . . 5813 1 160 . 1 1 17 17 CYS CA C 13 53.920 0.1 . 1 . . . . . . . . 5813 1 161 . 1 1 17 17 CYS HA H 1 4.954 0.1 . 1 . . . . . . . . 5813 1 162 . 1 1 17 17 CYS CB C 13 28.241 0.1 . 1 . . . . . . . . 5813 1 163 . 1 1 17 17 CYS HB2 H 1 3.388 0.1 . 1 . . . . . . . . 5813 1 164 . 1 1 17 17 CYS HB3 H 1 3.000 0.1 . 1 . . . . . . . . 5813 1 165 . 1 1 18 18 ALA C C 13 171.453 0.1 . 1 . . . . . . . . 5813 1 166 . 1 1 19 19 ALA N N 15 121.827 0.1 . 1 . . . . . . . . 5813 1 167 . 1 1 19 19 ALA H H 1 8.406 0.1 . 1 . . . . . . . . 5813 1 168 . 1 1 19 19 ALA CA C 13 52.667 0.1 . 1 . . . . . . . . 5813 1 169 . 1 1 19 19 ALA HA H 1 4.147 0.1 . 1 . . . . . . . . 5813 1 170 . 1 1 19 19 ALA HB1 H 1 1.458 0.1 . 1 . . . . . . . . 5813 1 171 . 1 1 19 19 ALA HB2 H 1 1.458 0.1 . 1 . . . . . . . . 5813 1 172 . 1 1 19 19 ALA HB3 H 1 1.458 0.1 . 1 . . . . . . . . 5813 1 173 . 1 1 19 19 ALA CB C 13 15.402 0.1 . 1 . . . . . . . . 5813 1 174 . 1 1 19 19 ALA C C 13 178.005 0.1 . 1 . . . . . . . . 5813 1 175 . 1 1 20 20 CYS N N 15 121.937 0.1 . 1 . . . . . . . . 5813 1 176 . 1 1 20 20 CYS H H 1 7.667 0.1 . 1 . . . . . . . . 5813 1 177 . 1 1 20 20 CYS CA C 13 61.435 0.1 . 1 . . . . . . . . 5813 1 178 . 1 1 20 20 CYS HA H 1 3.930 0.1 . 1 . . . . . . . . 5813 1 179 . 1 1 20 20 CYS CB C 13 26.676 0.1 . 1 . . . . . . . . 5813 1 180 . 1 1 20 20 CYS HB2 H 1 3.187 0.1 . 1 . . . . . . . . 5813 1 181 . 1 1 20 20 CYS HB3 H 1 2.582 0.1 . 1 . . . . . . . . 5813 1 182 . 1 1 20 20 CYS C C 13 174.528 0.1 . 1 . . . . . . . . 5813 1 183 . 1 1 21 21 ALA N N 15 118.645 0.1 . 1 . . . . . . . . 5813 1 184 . 1 1 21 21 ALA H H 1 6.686 0.1 . 1 . . . . . . . . 5813 1 185 . 1 1 21 21 ALA CA C 13 52.354 0.1 . 1 . . . . . . . . 5813 1 186 . 1 1 21 21 ALA HA H 1 3.676 0.1 . 1 . . . . . . . . 5813 1 187 . 1 1 21 21 ALA HB1 H 1 1.313 0.1 . 1 . . . . . . . . 5813 1 188 . 1 1 21 21 ALA HB2 H 1 1.313 0.1 . 1 . . . . . . . . 5813 1 189 . 1 1 21 21 ALA HB3 H 1 1.313 0.1 . 1 . . . . . . . . 5813 1 190 . 1 1 21 21 ALA CB C 13 15.402 0.1 . 1 . . . . . . . . 5813 1 191 . 1 1 21 21 ALA C C 13 176.095 0.1 . 1 . . . . . . . . 5813 1 192 . 1 1 22 22 ALA N N 15 117.791 0.1 . 1 . . . . . . . . 5813 1 193 . 1 1 22 22 ALA H H 1 7.736 0.1 . 1 . . . . . . . . 5813 1 194 . 1 1 22 22 ALA CA C 13 52.041 0.1 . 1 . . . . . . . . 5813 1 195 . 1 1 22 22 ALA HA H 1 4.066 0.1 . 1 . . . . . . . . 5813 1 196 . 1 1 22 22 ALA HB1 H 1 1.376 0.1 . 1 . . . . . . . . 5813 1 197 . 1 1 22 22 ALA HB2 H 1 1.376 0.1 . 1 . . . . . . . . 5813 1 198 . 1 1 22 22 ALA HB3 H 1 1.376 0.1 . 1 . . . . . . . . 5813 1 199 . 1 1 22 22 ALA CB C 13 15.402 0.1 . 1 . . . . . . . . 5813 1 200 . 1 1 22 22 ALA C C 13 177.085 0.1 . 1 . . . . . . . . 5813 1 201 . 1 1 23 23 ARG N N 15 118.510 0.1 . 1 . . . . . . . . 5813 1 202 . 1 1 23 23 ARG H H 1 7.885 0.1 . 1 . . . . . . . . 5813 1 203 . 1 1 23 23 ARG CA C 13 56.738 0.1 . 1 . . . . . . . . 5813 1 204 . 1 1 23 23 ARG HA H 1 3.935 0.1 . 1 . . . . . . . . 5813 1 205 . 1 1 23 23 ARG CB C 13 27.302 0.1 . 1 . . . . . . . . 5813 1 206 . 1 1 23 23 ARG HB2 H 1 2.004 0.1 . 1 . . . . . . . . 5813 1 207 . 1 1 23 23 ARG HB3 H 1 1.952 0.1 . 1 . . . . . . . . 5813 1 208 . 1 1 23 23 ARG CG C 13 25.423 0.1 . 1 . . . . . . . . 5813 1 209 . 1 1 23 23 ARG HG2 H 1 1.796 0.1 . 1 . . . . . . . . 5813 1 210 . 1 1 23 23 ARG HG3 H 1 1.592 0.1 . 1 . . . . . . . . 5813 1 211 . 1 1 23 23 ARG CD C 13 41.081 0.1 . 1 . . . . . . . . 5813 1 212 . 1 1 23 23 ARG HD2 H 1 3.403 0.1 . 1 . . . . . . . . 5813 1 213 . 1 1 23 23 ARG HD3 H 1 3.298 0.1 . 1 . . . . . . . . 5813 1 214 . 1 1 23 23 ARG C C 13 177.144 0.1 . 1 . . . . . . . . 5813 1 215 . 1 1 24 24 ILE N N 15 120.069 0.1 . 1 . . . . . . . . 5813 1 216 . 1 1 24 24 ILE H H 1 7.808 0.1 . 1 . . . . . . . . 5813 1 217 . 1 1 24 24 ILE CA C 13 63.001 0.1 . 1 . . . . . . . . 5813 1 218 . 1 1 24 24 ILE HA H 1 3.432 0.1 . 1 . . . . . . . . 5813 1 219 . 1 1 24 24 ILE CB C 13 35.757 0.1 . 1 . . . . . . . . 5813 1 220 . 1 1 24 24 ILE HB H 1 1.533 0.1 . 1 . . . . . . . . 5813 1 221 . 1 1 24 24 ILE HG21 H 1 0.447 0.1 . 1 . . . . . . . . 5813 1 222 . 1 1 24 24 ILE HG22 H 1 0.447 0.1 . 1 . . . . . . . . 5813 1 223 . 1 1 24 24 ILE HG23 H 1 0.447 0.1 . 1 . . . . . . . . 5813 1 224 . 1 1 24 24 ILE CG2 C 13 15.089 0.1 . 1 . . . . . . . . 5813 1 225 . 1 1 24 24 ILE CG1 C 13 27.928 0.1 . 1 . . . . . . . . 5813 1 226 . 1 1 24 24 ILE HG12 H 1 1.460 0.1 . 1 . . . . . . . . 5813 1 227 . 1 1 24 24 ILE HG13 H 1 0.290 0.1 . 1 . . . . . . . . 5813 1 228 . 1 1 24 24 ILE HD11 H 1 -0.100 0.1 . 1 . . . . . . . . 5813 1 229 . 1 1 24 24 ILE HD12 H 1 -0.100 0.1 . 1 . . . . . . . . 5813 1 230 . 1 1 24 24 ILE HD13 H 1 -0.100 0.1 . 1 . . . . . . . . 5813 1 231 . 1 1 24 24 ILE CD1 C 13 11.018 0.1 . 1 . . . . . . . . 5813 1 232 . 1 1 24 24 ILE C C 13 173.350 0.1 . 1 . . . . . . . . 5813 1 233 . 1 1 25 25 GLU N N 15 118.375 0.1 . 1 . . . . . . . . 5813 1 234 . 1 1 25 25 GLU H H 1 8.273 0.1 . 1 . . . . . . . . 5813 1 235 . 1 1 25 25 GLU CA C 13 58.304 0.1 . 1 . . . . . . . . 5813 1 236 . 1 1 25 25 GLU HA H 1 3.369 0.1 . 1 . . . . . . . . 5813 1 237 . 1 1 25 25 GLU CB C 13 27.302 0.1 . 1 . . . . . . . . 5813 1 238 . 1 1 25 25 GLU HB2 H 1 2.053 0.1 . 1 . . . . . . . . 5813 1 239 . 1 1 25 25 GLU HB3 H 1 1.819 0.1 . 1 . . . . . . . . 5813 1 240 . 1 1 25 25 GLU CG C 13 34.817 0.1 . 1 . . . . . . . . 5813 1 241 . 1 1 25 25 GLU HG2 H 1 2.434 0.1 . 1 . . . . . . . . 5813 1 242 . 1 1 25 25 GLU HG3 H 1 1.844 0.1 . 1 . . . . . . . . 5813 1 243 . 1 1 25 25 GLU C C 13 175.454 0.1 . 1 . . . . . . . . 5813 1 244 . 1 1 26 26 LYS N N 15 115.392 0.1 . 1 . . . . . . . . 5813 1 245 . 1 1 26 26 LYS H H 1 8.247 0.1 . 1 . . . . . . . . 5813 1 246 . 1 1 26 26 LYS CA C 13 56.738 0.1 . 1 . . . . . . . . 5813 1 247 . 1 1 26 26 LYS HA H 1 3.809 0.1 . 1 . . . . . . . . 5813 1 248 . 1 1 26 26 LYS CB C 13 29.494 0.1 . 1 . . . . . . . . 5813 1 249 . 1 1 26 26 LYS HB2 H 1 1.803 0.1 . 1 . . . . . . . . 5813 1 250 . 1 1 26 26 LYS HB3 H 1 1.677 0.1 . 1 . . . . . . . . 5813 1 251 . 1 1 26 26 LYS CG C 13 22.605 0.1 . 1 . . . . . . . . 5813 1 252 . 1 1 26 26 LYS HG2 H 1 1.491 0.1 . 1 . . . . . . . . 5813 1 253 . 1 1 26 26 LYS HG3 H 1 1.308 0.1 . 1 . . . . . . . . 5813 1 254 . 1 1 26 26 LYS HD2 H 1 1.526 0.1 . 1 . . . . . . . . 5813 1 255 . 1 1 26 26 LYS HE2 H 1 3.043 0.1 . 1 . . . . . . . . 5813 1 256 . 1 1 26 26 LYS HE3 H 1 2.852 0.1 . 1 . . . . . . . . 5813 1 257 . 1 1 26 26 LYS C C 13 176.612 0.1 . 1 . . . . . . . . 5813 1 258 . 1 1 27 27 GLY N N 15 104.469 0.1 . 1 . . . . . . . . 5813 1 259 . 1 1 27 27 GLY H H 1 7.808 0.1 . 1 . . . . . . . . 5813 1 260 . 1 1 27 27 GLY CA C 13 44.212 0.1 . 1 . . . . . . . . 5813 1 261 . 1 1 27 27 GLY HA2 H 1 3.714 0.1 . 1 . . . . . . . . 5813 1 262 . 1 1 27 27 GLY HA3 H 1 3.433 0.1 . 1 . . . . . . . . 5813 1 263 . 1 1 27 27 GLY C C 13 173.277 0.1 . 1 . . . . . . . . 5813 1 264 . 1 1 28 28 LEU N N 15 119.802 0.1 . 1 . . . . . . . . 5813 1 265 . 1 1 28 28 LEU H H 1 8.201 0.1 . 1 . . . . . . . . 5813 1 266 . 1 1 28 28 LEU CA C 13 54.859 0.1 . 1 . . . . . . . . 5813 1 267 . 1 1 28 28 LEU HA H 1 4.040 0.1 . 1 . . . . . . . . 5813 1 268 . 1 1 28 28 LEU CB C 13 39.515 0.1 . 1 . . . . . . . . 5813 1 269 . 1 1 28 28 LEU HB2 H 1 1.646 0.1 . 1 . . . . . . . . 5813 1 270 . 1 1 28 28 LEU HB3 H 1 0.977 0.1 . 1 . . . . . . . . 5813 1 271 . 1 1 28 28 LEU CG C 13 24.483 0.1 . 1 . . . . . . . . 5813 1 272 . 1 1 28 28 LEU HG H 1 0.470 0.1 . 1 . . . . . . . . 5813 1 273 . 1 1 28 28 LEU HD11 H 1 0.757 0.1 . 1 . . . . . . . . 5813 1 274 . 1 1 28 28 LEU HD12 H 1 0.757 0.1 . 1 . . . . . . . . 5813 1 275 . 1 1 28 28 LEU HD13 H 1 0.757 0.1 . 1 . . . . . . . . 5813 1 276 . 1 1 28 28 LEU HD21 H 1 0.725 0.1 . 1 . . . . . . . . 5813 1 277 . 1 1 28 28 LEU HD22 H 1 0.725 0.1 . 1 . . . . . . . . 5813 1 278 . 1 1 28 28 LEU HD23 H 1 0.725 0.1 . 1 . . . . . . . . 5813 1 279 . 1 1 28 28 LEU CD1 C 13 20.412 0.1 . 1 . . . . . . . . 5813 1 280 . 1 1 28 28 LEU CD2 C 13 20.412 0.1 . 1 . . . . . . . . 5813 1 281 . 1 1 28 28 LEU C C 13 175.755 0.1 . 1 . . . . . . . . 5813 1 282 . 1 1 29 29 LYS N N 15 114.809 0.1 . 1 . . . . . . . . 5813 1 283 . 1 1 29 29 LYS H H 1 7.979 0.1 . 1 . . . . . . . . 5813 1 284 . 1 1 29 29 LYS CA C 13 56.738 0.1 . 1 . . . . . . . . 5813 1 285 . 1 1 29 29 LYS HA H 1 3.711 0.1 . 1 . . . . . . . . 5813 1 286 . 1 1 29 29 LYS CB C 13 29.807 0.1 . 1 . . . . . . . . 5813 1 287 . 1 1 29 29 LYS HB2 H 1 1.822 0.1 . 1 . . . . . . . . 5813 1 288 . 1 1 29 29 LYS HB3 H 1 1.697 0.1 . 1 . . . . . . . . 5813 1 289 . 1 1 29 29 LYS CG C 13 25.110 0.1 . 1 . . . . . . . . 5813 1 290 . 1 1 29 29 LYS HG2 H 1 1.187 0.1 . 1 . . . . . . . . 5813 1 291 . 1 1 29 29 LYS CD C 13 26.989 0.1 . 1 . . . . . . . . 5813 1 292 . 1 1 29 29 LYS HD2 H 1 1.671 0.1 . 1 . . . . . . . . 5813 1 293 . 1 1 29 29 LYS CE C 13 39.202 0.1 . 1 . . . . . . . . 5813 1 294 . 1 1 29 29 LYS HE2 H 1 3.035 0.1 . 1 . . . . . . . . 5813 1 295 . 1 1 29 29 LYS C C 13 174.875 0.1 . 1 . . . . . . . . 5813 1 296 . 1 1 30 30 ARG N N 15 114.120 0.1 . 1 . . . . . . . . 5813 1 297 . 1 1 30 30 ARG H H 1 6.897 0.1 . 1 . . . . . . . . 5813 1 298 . 1 1 30 30 ARG CA C 13 52.980 0.1 . 1 . . . . . . . . 5813 1 299 . 1 1 30 30 ARG HA H 1 4.213 0.1 . 1 . . . . . . . . 5813 1 300 . 1 1 30 30 ARG CB C 13 28.241 0.1 . 1 . . . . . . . . 5813 1 301 . 1 1 30 30 ARG HB2 H 1 1.915 0.1 . 1 . . . . . . . . 5813 1 302 . 1 1 30 30 ARG HB3 H 1 1.801 0.1 . 1 . . . . . . . . 5813 1 303 . 1 1 30 30 ARG CG C 13 24.797 0.1 . 1 . . . . . . . . 5813 1 304 . 1 1 30 30 ARG HG2 H 1 1.735 0.1 . 1 . . . . . . . . 5813 1 305 . 1 1 30 30 ARG HG3 H 1 1.647 0.1 . 1 . . . . . . . . 5813 1 306 . 1 1 30 30 ARG CD C 13 40.767 0.1 . 1 . . . . . . . . 5813 1 307 . 1 1 30 30 ARG HD2 H 1 3.082 0.1 . 1 . . . . . . . . 5813 1 308 . 1 1 30 30 ARG C C 13 173.903 0.1 . 1 . . . . . . . . 5813 1 309 . 1 1 31 31 MET N N 15 123.050 0.1 . 1 . . . . . . . . 5813 1 310 . 1 1 31 31 MET H H 1 7.756 0.1 . 1 . . . . . . . . 5813 1 311 . 1 1 31 31 MET CA C 13 51.728 0.1 . 1 . . . . . . . . 5813 1 312 . 1 1 31 31 MET HA H 1 4.445 0.1 . 1 . . . . . . . . 5813 1 313 . 1 1 31 31 MET CB C 13 30.747 0.1 . 1 . . . . . . . . 5813 1 314 . 1 1 31 31 MET HB2 H 1 2.105 0.1 . 1 . . . . . . . . 5813 1 315 . 1 1 31 31 MET HB3 H 1 2.043 0.1 . 1 . . . . . . . . 5813 1 316 . 1 1 31 31 MET CG C 13 29.181 0.1 . 1 . . . . . . . . 5813 1 317 . 1 1 31 31 MET HG2 H 1 2.627 0.1 . 1 . . . . . . . . 5813 1 318 . 1 1 31 31 MET HG3 H 1 2.445 0.1 . 1 . . . . . . . . 5813 1 319 . 1 1 32 32 PRO CD C 13 48.283 0.1 . 1 . . . . . . . . 5813 1 320 . 1 1 32 32 PRO CA C 13 61.122 0.1 . 1 . . . . . . . . 5813 1 321 . 1 1 32 32 PRO HA H 1 4.225 0.1 . 1 . . . . . . . . 5813 1 322 . 1 1 32 32 PRO CB C 13 28.868 0.1 . 1 . . . . . . . . 5813 1 323 . 1 1 32 32 PRO HB2 H 1 2.235 0.1 . 1 . . . . . . . . 5813 1 324 . 1 1 32 32 PRO CG C 13 25.110 0.1 . 1 . . . . . . . . 5813 1 325 . 1 1 32 32 PRO HG2 H 1 2.075 0.1 . 1 . . . . . . . . 5813 1 326 . 1 1 32 32 PRO HG3 H 1 1.912 0.1 . 1 . . . . . . . . 5813 1 327 . 1 1 32 32 PRO HD2 H 1 4.002 0.1 . 1 . . . . . . . . 5813 1 328 . 1 1 32 32 PRO HD3 H 1 3.564 0.1 . 1 . . . . . . . . 5813 1 329 . 1 1 32 32 PRO C C 13 174.204 0.1 . 1 . . . . . . . . 5813 1 330 . 1 1 33 33 GLY N N 15 110.418 0.1 . 1 . . . . . . . . 5813 1 331 . 1 1 33 33 GLY H H 1 8.500 0.1 . 1 . . . . . . . . 5813 1 332 . 1 1 33 33 GLY CA C 13 43.273 0.1 . 1 . . . . . . . . 5813 1 333 . 1 1 33 33 GLY HA2 H 1 4.195 0.1 . 1 . . . . . . . . 5813 1 334 . 1 1 33 33 GLY HA3 H 1 3.680 0.1 . 1 . . . . . . . . 5813 1 335 . 1 1 33 33 GLY C C 13 170.962 0.1 . 1 . . . . . . . . 5813 1 336 . 1 1 34 34 VAL N N 15 120.489 0.1 . 1 . . . . . . . . 5813 1 337 . 1 1 34 34 VAL H H 1 7.554 0.1 . 1 . . . . . . . . 5813 1 338 . 1 1 34 34 VAL CA C 13 60.809 0.1 . 1 . . . . . . . . 5813 1 339 . 1 1 34 34 VAL HA H 1 4.057 0.1 . 1 . . . . . . . . 5813 1 340 . 1 1 34 34 VAL CB C 13 29.181 0.1 . 1 . . . . . . . . 5813 1 341 . 1 1 34 34 VAL HB H 1 2.328 0.1 . 1 . . . . . . . . 5813 1 342 . 1 1 34 34 VAL HG11 H 1 0.739 0.1 . 1 . . . . . . . . 5813 1 343 . 1 1 34 34 VAL HG12 H 1 0.739 0.1 . 1 . . . . . . . . 5813 1 344 . 1 1 34 34 VAL HG13 H 1 0.739 0.1 . 1 . . . . . . . . 5813 1 345 . 1 1 34 34 VAL HG21 H 1 0.615 0.1 . 1 . . . . . . . . 5813 1 346 . 1 1 34 34 VAL HG22 H 1 0.615 0.1 . 1 . . . . . . . . 5813 1 347 . 1 1 34 34 VAL HG23 H 1 0.615 0.1 . 1 . . . . . . . . 5813 1 348 . 1 1 34 34 VAL CG1 C 13 20.412 0.1 . 1 . . . . . . . . 5813 1 349 . 1 1 34 34 VAL CG2 C 13 19.160 0.1 . 1 . . . . . . . . 5813 1 350 . 1 1 34 34 VAL C C 13 173.301 0.1 . 1 . . . . . . . . 5813 1 351 . 1 1 35 35 THR N N 15 124.879 0.1 . 1 . . . . . . . . 5813 1 352 . 1 1 35 35 THR H H 1 9.132 0.1 . 1 . . . . . . . . 5813 1 353 . 1 1 35 35 THR CA C 13 60.809 0.1 . 1 . . . . . . . . 5813 1 354 . 1 1 35 35 THR HA H 1 4.133 0.1 . 1 . . . . . . . . 5813 1 355 . 1 1 35 35 THR CB C 13 66.446 0.1 . 1 . . . . . . . . 5813 1 356 . 1 1 35 35 THR HB H 1 3.768 0.1 . 1 . . . . . . . . 5813 1 357 . 1 1 35 35 THR HG21 H 1 1.023 0.1 . 1 . . . . . . . . 5813 1 358 . 1 1 35 35 THR HG22 H 1 1.023 0.1 . 1 . . . . . . . . 5813 1 359 . 1 1 35 35 THR HG23 H 1 1.023 0.1 . 1 . . . . . . . . 5813 1 360 . 1 1 35 35 THR CG2 C 13 19.160 0.1 . 1 . . . . . . . . 5813 1 361 . 1 1 35 35 THR C C 13 171.680 0.1 . 1 . . . . . . . . 5813 1 362 . 1 1 36 36 ASP N N 15 117.810 0.1 . 1 . . . . . . . . 5813 1 363 . 1 1 36 36 ASP H H 1 8.015 0.1 . 1 . . . . . . . . 5813 1 364 . 1 1 36 36 ASP HA H 1 4.620 0.1 . 1 . . . . . . . . 5813 1 365 . 1 1 36 36 ASP CB C 13 41.081 0.1 . 1 . . . . . . . . 5813 1 366 . 1 1 36 36 ASP HB2 H 1 2.518 0.1 . 1 . . . . . . . . 5813 1 367 . 1 1 36 36 ASP HB3 H 1 2.274 0.1 . 1 . . . . . . . . 5813 1 368 . 1 1 36 36 ASP C C 13 170.532 0.1 . 1 . . . . . . . . 5813 1 369 . 1 1 37 37 ALA N N 15 120.908 0.1 . 1 . . . . . . . . 5813 1 370 . 1 1 37 37 ALA H H 1 8.181 0.1 . 1 . . . . . . . . 5813 1 371 . 1 1 37 37 ALA CA C 13 48.909 0.1 . 1 . . . . . . . . 5813 1 372 . 1 1 37 37 ALA HA H 1 5.088 0.1 . 1 . . . . . . . . 5813 1 373 . 1 1 37 37 ALA HB1 H 1 1.121 0.1 . 1 . . . . . . . . 5813 1 374 . 1 1 37 37 ALA HB2 H 1 1.121 0.1 . 1 . . . . . . . . 5813 1 375 . 1 1 37 37 ALA HB3 H 1 1.121 0.1 . 1 . . . . . . . . 5813 1 376 . 1 1 37 37 ALA CB C 13 20.412 0.1 . 1 . . . . . . . . 5813 1 377 . 1 1 37 37 ALA C C 13 171.897 0.1 . 1 . . . . . . . . 5813 1 378 . 1 1 38 38 ASN N N 15 117.241 0.1 . 1 . . . . . . . . 5813 1 379 . 1 1 38 38 ASN H H 1 8.698 0.1 . 1 . . . . . . . . 5813 1 380 . 1 1 38 38 ASN CA C 13 49.849 0.1 . 1 . . . . . . . . 5813 1 381 . 1 1 38 38 ASN HA H 1 4.954 0.1 . 1 . . . . . . . . 5813 1 382 . 1 1 38 38 ASN CB C 13 40.454 0.1 . 1 . . . . . . . . 5813 1 383 . 1 1 38 38 ASN HB2 H 1 2.468 0.1 . 1 . . . . . . . . 5813 1 384 . 1 1 38 38 ASN ND2 N 15 114.387 0.1 . 1 . . . . . . . . 5813 1 385 . 1 1 38 38 ASN HD21 H 1 7.658 0.1 . 1 . . . . . . . . 5813 1 386 . 1 1 38 38 ASN HD22 H 1 6.635 0.1 . 1 . . . . . . . . 5813 1 387 . 1 1 38 38 ASN C C 13 170.773 0.1 . 1 . . . . . . . . 5813 1 388 . 1 1 39 39 VAL N N 15 125.897 0.1 . 1 . . . . . . . . 5813 1 389 . 1 1 39 39 VAL H H 1 9.751 0.1 . 1 . . . . . . . . 5813 1 390 . 1 1 39 39 VAL CA C 13 58.617 0.1 . 1 . . . . . . . . 5813 1 391 . 1 1 39 39 VAL HA H 1 4.342 0.1 . 1 . . . . . . . . 5813 1 392 . 1 1 39 39 VAL CB C 13 30.120 0.1 . 1 . . . . . . . . 5813 1 393 . 1 1 39 39 VAL HB H 1 1.848 0.1 . 1 . . . . . . . . 5813 1 394 . 1 1 39 39 VAL HG11 H 1 0.829 0.1 . 1 . . . . . . . . 5813 1 395 . 1 1 39 39 VAL HG12 H 1 0.829 0.1 . 1 . . . . . . . . 5813 1 396 . 1 1 39 39 VAL HG13 H 1 0.829 0.1 . 1 . . . . . . . . 5813 1 397 . 1 1 39 39 VAL HG21 H 1 0.574 0.1 . 1 . . . . . . . . 5813 1 398 . 1 1 39 39 VAL HG22 H 1 0.574 0.1 . 1 . . . . . . . . 5813 1 399 . 1 1 39 39 VAL HG23 H 1 0.574 0.1 . 1 . . . . . . . . 5813 1 400 . 1 1 39 39 VAL CG1 C 13 19.473 0.1 . 1 . . . . . . . . 5813 1 401 . 1 1 39 39 VAL CG2 C 13 18.847 0.1 . 1 . . . . . . . . 5813 1 402 . 1 1 39 39 VAL C C 13 171.530 0.1 . 1 . . . . . . . . 5813 1 403 . 1 1 40 40 ASN N N 15 126.746 0.1 . 1 . . . . . . . . 5813 1 404 . 1 1 40 40 ASN H H 1 8.879 0.1 . 1 . . . . . . . . 5813 1 405 . 1 1 40 40 ASN CA C 13 48.596 0.1 . 1 . . . . . . . . 5813 1 406 . 1 1 40 40 ASN HA H 1 4.765 0.1 . 1 . . . . . . . . 5813 1 407 . 1 1 40 40 ASN CB C 13 36.383 0.1 . 1 . . . . . . . . 5813 1 408 . 1 1 40 40 ASN HB2 H 1 3.053 0.1 . 1 . . . . . . . . 5813 1 409 . 1 1 40 40 ASN HB3 H 1 2.392 0.1 . 1 . . . . . . . . 5813 1 410 . 1 1 40 40 ASN ND2 N 15 111.552 0.1 . 1 . . . . . . . . 5813 1 411 . 1 1 40 40 ASN HD21 H 1 7.355 0.1 . 1 . . . . . . . . 5813 1 412 . 1 1 40 40 ASN HD22 H 1 6.843 0.1 . 1 . . . . . . . . 5813 1 413 . 1 1 40 40 ASN C C 13 172.411 0.1 . 1 . . . . . . . . 5813 1 414 . 1 1 41 41 LEU N N 15 125.451 0.1 . 1 . . . . . . . . 5813 1 415 . 1 1 41 41 LEU H H 1 8.756 0.1 . 1 . . . . . . . . 5813 1 416 . 1 1 41 41 LEU CA C 13 55.172 0.1 . 1 . . . . . . . . 5813 1 417 . 1 1 41 41 LEU HA H 1 3.710 0.1 . 1 . . . . . . . . 5813 1 418 . 1 1 41 41 LEU CB C 13 39.828 0.1 . 1 . . . . . . . . 5813 1 419 . 1 1 41 41 LEU HB2 H 1 1.538 0.1 . 1 . . . . . . . . 5813 1 420 . 1 1 41 41 LEU HB3 H 1 1.389 0.1 . 1 . . . . . . . . 5813 1 421 . 1 1 41 41 LEU CG C 13 24.170 0.1 . 1 . . . . . . . . 5813 1 422 . 1 1 41 41 LEU HG H 1 1.435 0.1 . 1 . . . . . . . . 5813 1 423 . 1 1 41 41 LEU HD11 H 1 0.658 0.1 . 1 . . . . . . . . 5813 1 424 . 1 1 41 41 LEU HD12 H 1 0.658 0.1 . 1 . . . . . . . . 5813 1 425 . 1 1 41 41 LEU HD13 H 1 0.658 0.1 . 1 . . . . . . . . 5813 1 426 . 1 1 41 41 LEU HD21 H 1 0.620 0.1 . 1 . . . . . . . . 5813 1 427 . 1 1 41 41 LEU HD22 H 1 0.620 0.1 . 1 . . . . . . . . 5813 1 428 . 1 1 41 41 LEU HD23 H 1 0.620 0.1 . 1 . . . . . . . . 5813 1 429 . 1 1 41 41 LEU CD1 C 13 21.665 0.1 . 1 . . . . . . . . 5813 1 430 . 1 1 41 41 LEU CD2 C 13 21.978 0.1 . 1 . . . . . . . . 5813 1 431 . 1 1 41 41 LEU C C 13 176.071 0.1 . 1 . . . . . . . . 5813 1 432 . 1 1 42 42 ALA N N 15 119.244 0.1 . 1 . . . . . . . . 5813 1 433 . 1 1 42 42 ALA H H 1 8.017 0.1 . 1 . . . . . . . . 5813 1 434 . 1 1 42 42 ALA CA C 13 52.354 0.1 . 1 . . . . . . . . 5813 1 435 . 1 1 42 42 ALA HA H 1 4.021 0.1 . 1 . . . . . . . . 5813 1 436 . 1 1 42 42 ALA HB1 H 1 1.411 0.1 . 1 . . . . . . . . 5813 1 437 . 1 1 42 42 ALA HB2 H 1 1.411 0.1 . 1 . . . . . . . . 5813 1 438 . 1 1 42 42 ALA HB3 H 1 1.411 0.1 . 1 . . . . . . . . 5813 1 439 . 1 1 42 42 ALA CB C 13 15.715 0.1 . 1 . . . . . . . . 5813 1 440 . 1 1 42 42 ALA C C 13 177.052 0.1 . 1 . . . . . . . . 5813 1 441 . 1 1 43 43 THR N N 15 104.050 0.1 . 1 . . . . . . . . 5813 1 442 . 1 1 43 43 THR H H 1 7.213 0.1 . 1 . . . . . . . . 5813 1 443 . 1 1 43 43 THR CA C 13 57.678 0.1 . 1 . . . . . . . . 5813 1 444 . 1 1 43 43 THR HA H 1 4.339 0.1 . 1 . . . . . . . . 5813 1 445 . 1 1 43 43 THR CB C 13 66.133 0.1 . 1 . . . . . . . . 5813 1 446 . 1 1 43 43 THR HB H 1 4.379 0.1 . 1 . . . . . . . . 5813 1 447 . 1 1 43 43 THR HG21 H 1 0.962 0.1 . 1 . . . . . . . . 5813 1 448 . 1 1 43 43 THR HG22 H 1 0.962 0.1 . 1 . . . . . . . . 5813 1 449 . 1 1 43 43 THR HG23 H 1 0.962 0.1 . 1 . . . . . . . . 5813 1 450 . 1 1 43 43 THR CG2 C 13 18.534 0.1 . 1 . . . . . . . . 5813 1 451 . 1 1 43 43 THR C C 13 172.004 0.1 . 1 . . . . . . . . 5813 1 452 . 1 1 44 44 GLU N N 15 120.337 0.1 . 1 . . . . . . . . 5813 1 453 . 1 1 44 44 GLU H H 1 7.799 0.1 . 1 . . . . . . . . 5813 1 454 . 1 1 44 44 GLU CA C 13 55.172 0.1 . 1 . . . . . . . . 5813 1 455 . 1 1 44 44 GLU HA H 1 3.370 0.1 . 1 . . . . . . . . 5813 1 456 . 1 1 44 44 GLU CB C 13 24.483 0.1 . 1 . . . . . . . . 5813 1 457 . 1 1 44 44 GLU HB2 H 1 2.06 0.1 . 1 . . . . . . . . 5813 1 458 . 1 1 44 44 GLU HB3 H 1 1.66 0.1 . 1 . . . . . . . . 5813 1 459 . 1 1 44 44 GLU CG C 13 35.131 0.1 . 1 . . . . . . . . 5813 1 460 . 1 1 44 44 GLU HG2 H 1 2.059 0.1 . 1 . . . . . . . . 5813 1 461 . 1 1 44 44 GLU HG3 H 1 1.664 0.1 . 1 . . . . . . . . 5813 1 462 . 1 1 44 44 GLU C C 13 170.707 0.1 . 1 . . . . . . . . 5813 1 463 . 1 1 45 45 THR N N 15 110.133 0.1 . 1 . . . . . . . . 5813 1 464 . 1 1 45 45 THR H H 1 7.613 0.1 . 1 . . . . . . . . 5813 1 465 . 1 1 45 45 THR CA C 13 58.930 0.1 . 1 . . . . . . . . 5813 1 466 . 1 1 45 45 THR HA H 1 5.086 0.1 . 1 . . . . . . . . 5813 1 467 . 1 1 45 45 THR CB C 13 69.264 0.1 . 1 . . . . . . . . 5813 1 468 . 1 1 45 45 THR HB H 1 3.658 0.1 . 1 . . . . . . . . 5813 1 469 . 1 1 45 45 THR HG21 H 1 0.956 0.1 . 1 . . . . . . . . 5813 1 470 . 1 1 45 45 THR HG22 H 1 0.956 0.1 . 1 . . . . . . . . 5813 1 471 . 1 1 45 45 THR HG23 H 1 0.956 0.1 . 1 . . . . . . . . 5813 1 472 . 1 1 45 45 THR CG2 C 13 18.534 0.1 . 1 . . . . . . . . 5813 1 473 . 1 1 45 45 THR C C 13 170.314 0.1 . 1 . . . . . . . . 5813 1 474 . 1 1 46 46 VAL N N 15 125.582 0.1 . 1 . . . . . . . . 5813 1 475 . 1 1 46 46 VAL H H 1 9.250 0.1 . 1 . . . . . . . . 5813 1 476 . 1 1 46 46 VAL CA C 13 57.364 0.1 . 1 . . . . . . . . 5813 1 477 . 1 1 46 46 VAL HA H 1 4.589 0.1 . 1 . . . . . . . . 5813 1 478 . 1 1 46 46 VAL CB C 13 31.999 0.1 . 1 . . . . . . . . 5813 1 479 . 1 1 46 46 VAL HB H 1 1.644 0.1 . 1 . . . . . . . . 5813 1 480 . 1 1 46 46 VAL HG11 H 1 0.651 0.1 . 1 . . . . . . . . 5813 1 481 . 1 1 46 46 VAL HG12 H 1 0.651 0.1 . 1 . . . . . . . . 5813 1 482 . 1 1 46 46 VAL HG13 H 1 0.651 0.1 . 1 . . . . . . . . 5813 1 483 . 1 1 46 46 VAL HG21 H 1 0.560 0.1 . 1 . . . . . . . . 5813 1 484 . 1 1 46 46 VAL HG22 H 1 0.560 0.1 . 1 . . . . . . . . 5813 1 485 . 1 1 46 46 VAL HG23 H 1 0.560 0.1 . 1 . . . . . . . . 5813 1 486 . 1 1 46 46 VAL C C 13 170.082 0.1 . 1 . . . . . . . . 5813 1 487 . 1 1 46 46 VAL CG2 C 13 17.907 0.1 . 1 . . . . . . . . 5813 1 488 . 1 1 46 46 VAL CG1 C 13 19.473 0.1 . 1 . . . . . . . . 5813 1 489 . 1 1 47 47 ASN N N 15 126.063 0.1 . 1 . . . . . . . . 5813 1 490 . 1 1 47 47 ASN H H 1 8.699 0.1 . 1 . . . . . . . . 5813 1 491 . 1 1 47 47 ASN CA C 13 49.849 0.1 . 1 . . . . . . . . 5813 1 492 . 1 1 47 47 ASN HA H 1 5.575 0.1 . 1 . . . . . . . . 5813 1 493 . 1 1 47 47 ASN CB C 13 38.575 0.1 . 1 . . . . . . . . 5813 1 494 . 1 1 47 47 ASN HB2 H 1 2.538 0.1 . 1 . . . . . . . . 5813 1 495 . 1 1 47 47 ASN HB3 H 1 2.472 0.1 . 1 . . . . . . . . 5813 1 496 . 1 1 47 47 ASN ND2 N 15 112.403 0.1 . 1 . . . . . . . . 5813 1 497 . 1 1 47 47 ASN HD21 H 1 7.568 0.1 . 1 . . . . . . . . 5813 1 498 . 1 1 47 47 ASN HD22 H 1 6.706 0.1 . 1 . . . . . . . . 5813 1 499 . 1 1 47 47 ASN C C 13 171.958 0.1 . 1 . . . . . . . . 5813 1 500 . 1 1 48 48 VAL N N 15 123.755 0.1 . 1 . . . . . . . . 5813 1 501 . 1 1 48 48 VAL H H 1 9.203 0.1 . 1 . . . . . . . . 5813 1 502 . 1 1 48 48 VAL HA H 1 4.624 0.1 . 1 . . . . . . . . 5813 1 503 . 1 1 48 48 VAL CB C 13 32.625 0.1 . 1 . . . . . . . . 5813 1 504 . 1 1 48 48 VAL HB H 1 1.863 0.1 . 1 . . . . . . . . 5813 1 505 . 1 1 48 48 VAL HG11 H 1 0.989 0.1 . 1 . . . . . . . . 5813 1 506 . 1 1 48 48 VAL HG12 H 1 0.989 0.1 . 1 . . . . . . . . 5813 1 507 . 1 1 48 48 VAL HG13 H 1 0.989 0.1 . 1 . . . . . . . . 5813 1 508 . 1 1 48 48 VAL HG21 H 1 0.722 0.1 . 1 . . . . . . . . 5813 1 509 . 1 1 48 48 VAL HG22 H 1 0.722 0.1 . 1 . . . . . . . . 5813 1 510 . 1 1 48 48 VAL HG23 H 1 0.722 0.1 . 1 . . . . . . . . 5813 1 511 . 1 1 48 48 VAL CG1 C 13 20.412 0.1 . 1 . . . . . . . . 5813 1 512 . 1 1 48 48 VAL CG2 C 13 20.412 0.1 . 1 . . . . . . . . 5813 1 513 . 1 1 48 48 VAL C C 13 170.800 0.1 . 1 . . . . . . . . 5813 1 514 . 1 1 49 49 ILE N N 15 127.322 0.1 . 1 . . . . . . . . 5813 1 515 . 1 1 49 49 ILE H H 1 8.465 0.1 . 1 . . . . . . . . 5813 1 516 . 1 1 49 49 ILE CA C 13 57.364 0.1 . 1 . . . . . . . . 5813 1 517 . 1 1 49 49 ILE HA H 1 5.125 0.1 . 1 . . . . . . . . 5813 1 518 . 1 1 49 49 ILE CB C 13 36.383 0.1 . 1 . . . . . . . . 5813 1 519 . 1 1 49 49 ILE HB H 1 1.457 0.1 . 1 . . . . . . . . 5813 1 520 . 1 1 49 49 ILE HG21 H 1 0.712 0.1 . 1 . . . . . . . . 5813 1 521 . 1 1 49 49 ILE HG22 H 1 0.712 0.1 . 1 . . . . . . . . 5813 1 522 . 1 1 49 49 ILE HG23 H 1 0.712 0.1 . 1 . . . . . . . . 5813 1 523 . 1 1 49 49 ILE CG2 C 13 15.402 0.1 . 1 . . . . . . . . 5813 1 524 . 1 1 49 49 ILE CG1 C 13 24.797 0.1 . 1 . . . . . . . . 5813 1 525 . 1 1 49 49 ILE HG12 H 1 1.448 0.1 . 1 . . . . . . . . 5813 1 526 . 1 1 49 49 ILE HG13 H 1 0.867 0.1 . 1 . . . . . . . . 5813 1 527 . 1 1 49 49 ILE HD11 H 1 0.662 0.1 . 1 . . . . . . . . 5813 1 528 . 1 1 49 49 ILE HD12 H 1 0.662 0.1 . 1 . . . . . . . . 5813 1 529 . 1 1 49 49 ILE HD13 H 1 0.662 0.1 . 1 . . . . . . . . 5813 1 530 . 1 1 49 49 ILE CD1 C 13 10.705 0.1 . 1 . . . . . . . . 5813 1 531 . 1 1 49 49 ILE C C 13 172.814 0.1 . 1 . . . . . . . . 5813 1 532 . 1 1 50 50 TYR N N 15 124.475 0.1 . 1 . . . . . . . . 5813 1 533 . 1 1 50 50 TYR H H 1 9.344 0.1 . 1 . . . . . . . . 5813 1 534 . 1 1 50 50 TYR CA C 13 52.667 0.1 . 1 . . . . . . . . 5813 1 535 . 1 1 50 50 TYR HA H 1 5.487 0.1 . 1 . . . . . . . . 5813 1 536 . 1 1 50 50 TYR CB C 13 39.515 0.1 . 1 . . . . . . . . 5813 1 537 . 1 1 50 50 TYR HB2 H 1 2.641 0.1 . 1 . . . . . . . . 5813 1 538 . 1 1 50 50 TYR HB3 H 1 2.460 0.1 . 1 . . . . . . . . 5813 1 539 . 1 1 50 50 TYR HD2 H 1 6.498 0.1 . 1 . . . . . . . . 5813 1 540 . 1 1 50 50 TYR HE2 H 1 6.385 0.1 . 1 . . . . . . . . 5813 1 541 . 1 1 50 50 TYR C C 13 168.602 0.1 . 1 . . . . . . . . 5813 1 542 . 1 1 51 51 ASP N N 15 119.180 0.1 . 1 . . . . . . . . 5813 1 543 . 1 1 51 51 ASP H H 1 8.794 0.1 . 1 . . . . . . . . 5813 1 544 . 1 1 51 51 ASP CA C 13 47.030 0.1 . 1 . . . . . . . . 5813 1 545 . 1 1 51 51 ASP HA H 1 5.010 0.1 . 1 . . . . . . . . 5813 1 546 . 1 1 51 51 ASP CB C 13 39.515 0.1 . 1 . . . . . . . . 5813 1 547 . 1 1 51 51 ASP HB2 H 1 2.962 0.1 . 1 . . . . . . . . 5813 1 548 . 1 1 51 51 ASP HB3 H 1 2.472 0.1 . 1 . . . . . . . . 5813 1 549 . 1 1 52 52 PRO CD C 13 48.596 0.1 . 1 . . . . . . . . 5813 1 550 . 1 1 52 52 PRO CA C 13 60.496 0.1 . 1 . . . . . . . . 5813 1 551 . 1 1 52 52 PRO HA H 1 5.099 0.1 . 1 . . . . . . . . 5813 1 552 . 1 1 52 52 PRO CB C 13 29.807 0.1 . 1 . . . . . . . . 5813 1 553 . 1 1 52 52 PRO HB2 H 1 2.157 0.1 . 1 . . . . . . . . 5813 1 554 . 1 1 52 52 PRO CG C 13 24.170 0.1 . 1 . . . . . . . . 5813 1 555 . 1 1 52 52 PRO HG2 H 1 1.891 0.1 . 1 . . . . . . . . 5813 1 556 . 1 1 52 52 PRO HG3 H 1 1.690 0.1 . 1 . . . . . . . . 5813 1 557 . 1 1 52 52 PRO HD2 H 1 3.989 0.1 . 1 . . . . . . . . 5813 1 558 . 1 1 52 52 PRO HD3 H 1 3.579 0.1 . 1 . . . . . . . . 5813 1 559 . 1 1 52 52 PRO C C 13 174.342 0.1 . 1 . . . . . . . . 5813 1 560 . 1 1 53 53 ALA N N 15 120.772 0.1 . 1 . . . . . . . . 5813 1 561 . 1 1 53 53 ALA H H 1 8.543 0.1 . 1 . . . . . . . . 5813 1 562 . 1 1 53 53 ALA CA C 13 50.475 0.1 . 1 . . . . . . . . 5813 1 563 . 1 1 53 53 ALA HA H 1 4.249 0.1 . 1 . . . . . . . . 5813 1 564 . 1 1 53 53 ALA HB1 H 1 1.380 0.1 . 1 . . . . . . . . 5813 1 565 . 1 1 53 53 ALA HB2 H 1 1.380 0.1 . 1 . . . . . . . . 5813 1 566 . 1 1 53 53 ALA HB3 H 1 1.380 0.1 . 1 . . . . . . . . 5813 1 567 . 1 1 53 53 ALA CB C 13 16.028 0.1 . 1 . . . . . . . . 5813 1 568 . 1 1 53 53 ALA C C 13 175.824 0.1 . 1 . . . . . . . . 5813 1 569 . 1 1 54 54 GLU N N 15 115.547 0.1 . 1 . . . . . . . . 5813 1 570 . 1 1 54 54 GLU H H 1 7.780 0.1 . 1 . . . . . . . . 5813 1 571 . 1 1 54 54 GLU CA C 13 53.293 0.1 . 1 . . . . . . . . 5813 1 572 . 1 1 54 54 GLU HA H 1 4.395 0.1 . 1 . . . . . . . . 5813 1 573 . 1 1 54 54 GLU CB C 13 31.373 0.1 . 1 . . . . . . . . 5813 1 574 . 1 1 54 54 GLU HB2 H 1 1.929 0.1 . 1 . . . . . . . . 5813 1 575 . 1 1 54 54 GLU HB3 H 1 1.770 0.1 . 1 . . . . . . . . 5813 1 576 . 1 1 54 54 GLU CG C 13 32.939 0.1 . 1 . . . . . . . . 5813 1 577 . 1 1 54 54 GLU HG2 H 1 2.110 0.1 . 1 . . . . . . . . 5813 1 578 . 1 1 54 54 GLU HG3 H 1 1.944 0.1 . 1 . . . . . . . . 5813 1 579 . 1 1 54 54 GLU C C 13 172.814 0.1 . 1 . . . . . . . . 5813 1 580 . 1 1 55 55 THR N N 15 114.104 0.1 . 1 . . . . . . . . 5813 1 581 . 1 1 55 55 THR H H 1 8.017 0.1 . 1 . . . . . . . . 5813 1 582 . 1 1 55 55 THR HA H 1 4.484 0.1 . 1 . . . . . . . . 5813 1 583 . 1 1 55 55 THR CB C 13 65.506 0.1 . 1 . . . . . . . . 5813 1 584 . 1 1 55 55 THR HB H 1 4.129 0.1 . 1 . . . . . . . . 5813 1 585 . 1 1 55 55 THR HG21 H 1 0.867 0.1 . 1 . . . . . . . . 5813 1 586 . 1 1 55 55 THR HG22 H 1 0.867 0.1 . 1 . . . . . . . . 5813 1 587 . 1 1 55 55 THR HG23 H 1 0.867 0.1 . 1 . . . . . . . . 5813 1 588 . 1 1 55 55 THR HG1 H 1 5.347 0.1 . 1 . . . . . . . . 5813 1 589 . 1 1 55 55 THR CG2 C 13 16.341 0.1 . 1 . . . . . . . . 5813 1 590 . 1 1 55 55 THR C C 13 169.179 0.1 . 1 . . . . . . . . 5813 1 591 . 1 1 55 55 THR CA C 13 57.364 0.1 . 1 . . . . . . . . 5813 1 592 . 1 1 56 56 GLY N N 15 104.889 0.1 . 1 . . . . . . . . 5813 1 593 . 1 1 56 56 GLY H H 1 7.880 0.1 . 1 . . . . . . . . 5813 1 594 . 1 1 56 56 GLY CA C 13 42.333 0.1 . 1 . . . . . . . . 5813 1 595 . 1 1 56 56 GLY HA2 H 1 4.177 0.1 . 1 . . . . . . . . 5813 1 596 . 1 1 56 56 GLY HA3 H 1 3.889 0.1 . 1 . . . . . . . . 5813 1 597 . 1 1 56 56 GLY C C 13 170.267 0.1 . 1 . . . . . . . . 5813 1 598 . 1 1 57 57 THR N N 15 110.418 0.1 . 1 . . . . . . . . 5813 1 599 . 1 1 57 57 THR H H 1 8.302 0.1 . 1 . . . . . . . . 5813 1 600 . 1 1 57 57 THR CA C 13 63.314 0.1 . 1 . . . . . . . . 5813 1 601 . 1 1 57 57 THR HA H 1 3.333 0.1 . 1 . . . . . . . . 5813 1 602 . 1 1 57 57 THR CB C 13 65.193 0.1 . 1 . . . . . . . . 5813 1 603 . 1 1 57 57 THR HB H 1 3.997 0.1 . 1 . . . . . . . . 5813 1 604 . 1 1 57 57 THR HG21 H 1 1.109 0.1 . 1 . . . . . . . . 5813 1 605 . 1 1 57 57 THR HG22 H 1 1.109 0.1 . 1 . . . . . . . . 5813 1 606 . 1 1 57 57 THR HG23 H 1 1.109 0.1 . 1 . . . . . . . . 5813 1 607 . 1 1 57 57 THR CG2 C 13 20.099 0.1 . 1 . . . . . . . . 5813 1 608 . 1 1 57 57 THR C C 13 173.764 0.1 . 1 . . . . . . . . 5813 1 609 . 1 1 58 58 ALA N N 15 124.182 0.1 . 1 . . . . . . . . 5813 1 610 . 1 1 58 58 ALA H H 1 8.448 0.1 . 1 . . . . . . . . 5813 1 611 . 1 1 58 58 ALA CA C 13 52.667 0.1 . 1 . . . . . . . . 5813 1 612 . 1 1 58 58 ALA HA H 1 3.997 0.1 . 1 . . . . . . . . 5813 1 613 . 1 1 58 58 ALA HB1 H 1 1.284 0.1 . 1 . . . . . . . . 5813 1 614 . 1 1 58 58 ALA HB2 H 1 1.284 0.1 . 1 . . . . . . . . 5813 1 615 . 1 1 58 58 ALA HB3 H 1 1.284 0.1 . 1 . . . . . . . . 5813 1 616 . 1 1 58 58 ALA CB C 13 14.776 0.1 . 1 . . . . . . . . 5813 1 617 . 1 1 58 58 ALA C C 13 177.399 0.1 . 1 . . . . . . . . 5813 1 618 . 1 1 59 59 ALA N N 15 120.623 0.1 . 1 . . . . . . . . 5813 1 619 . 1 1 59 59 ALA H H 1 7.692 0.1 . 1 . . . . . . . . 5813 1 620 . 1 1 59 59 ALA CA C 13 51.728 0.1 . 1 . . . . . . . . 5813 1 621 . 1 1 59 59 ALA HA H 1 3.998 0.1 . 1 . . . . . . . . 5813 1 622 . 1 1 59 59 ALA HB1 H 1 1.292 0.1 . 1 . . . . . . . . 5813 1 623 . 1 1 59 59 ALA HB2 H 1 1.292 0.1 . 1 . . . . . . . . 5813 1 624 . 1 1 59 59 ALA HB3 H 1 1.292 0.1 . 1 . . . . . . . . 5813 1 625 . 1 1 59 59 ALA CB C 13 15.089 0.1 . 1 . . . . . . . . 5813 1 626 . 1 1 59 59 ALA C C 13 178.140 0.1 . 1 . . . . . . . . 5813 1 627 . 1 1 60 60 ILE N N 15 120.356 0.1 . 1 . . . . . . . . 5813 1 628 . 1 1 60 60 ILE H H 1 7.481 0.1 . 1 . . . . . . . . 5813 1 629 . 1 1 60 60 ILE CA C 13 63.001 0.1 . 1 . . . . . . . . 5813 1 630 . 1 1 60 60 ILE HA H 1 3.215 0.1 . 1 . . . . . . . . 5813 1 631 . 1 1 60 60 ILE CB C 13 35.757 0.1 . 1 . . . . . . . . 5813 1 632 . 1 1 60 60 ILE HB H 1 1.458 0.1 . 1 . . . . . . . . 5813 1 633 . 1 1 60 60 ILE HG21 H 1 0.617 0.1 . 1 . . . . . . . . 5813 1 634 . 1 1 60 60 ILE HG22 H 1 0.617 0.1 . 1 . . . . . . . . 5813 1 635 . 1 1 60 60 ILE HG23 H 1 0.617 0.1 . 1 . . . . . . . . 5813 1 636 . 1 1 60 60 ILE CG2 C 13 15.089 0.1 . 1 . . . . . . . . 5813 1 637 . 1 1 60 60 ILE CG1 C 13 26.676 0.1 . 1 . . . . . . . . 5813 1 638 . 1 1 60 60 ILE HG12 H 1 1.469 0.1 . 1 . . . . . . . . 5813 1 639 . 1 1 60 60 ILE HG13 H 1 0.479 0.1 . 1 . . . . . . . . 5813 1 640 . 1 1 60 60 ILE HD11 H 1 -0.058 0.1 . 1 . . . . . . . . 5813 1 641 . 1 1 60 60 ILE HD12 H 1 -0.058 0.1 . 1 . . . . . . . . 5813 1 642 . 1 1 60 60 ILE HD13 H 1 -0.058 0.1 . 1 . . . . . . . . 5813 1 643 . 1 1 60 60 ILE CD1 C 13 11.018 0.1 . 1 . . . . . . . . 5813 1 644 . 1 1 60 60 ILE C C 13 173.949 0.1 . 1 . . . . . . . . 5813 1 645 . 1 1 61 61 GLN N N 15 118.093 0.1 . 1 . . . . . . . . 5813 1 646 . 1 1 61 61 GLN H H 1 8.235 0.1 . 1 . . . . . . . . 5813 1 647 . 1 1 61 61 GLN CA C 13 57.051 0.1 . 1 . . . . . . . . 5813 1 648 . 1 1 61 61 GLN HA H 1 3.619 0.1 . 1 . . . . . . . . 5813 1 649 . 1 1 61 61 GLN CB C 13 25.110 0.1 . 1 . . . . . . . . 5813 1 650 . 1 1 61 61 GLN HB2 H 1 2.009 0.1 . 1 . . . . . . . . 5813 1 651 . 1 1 61 61 GLN CG C 13 31.060 0.1 . 1 . . . . . . . . 5813 1 652 . 1 1 61 61 GLN HG2 H 1 2.294 0.1 . 1 . . . . . . . . 5813 1 653 . 1 1 61 61 GLN HG3 H 1 2.136 0.1 . 1 . . . . . . . . 5813 1 654 . 1 1 61 61 GLN NE2 N 15 109.002 0.1 . 1 . . . . . . . . 5813 1 655 . 1 1 61 61 GLN HE21 H 1 7.073 0.1 . 1 . . . . . . . . 5813 1 656 . 1 1 61 61 GLN HE22 H 1 6.603 0.1 . 1 . . . . . . . . 5813 1 657 . 1 1 61 61 GLN C C 13 174.875 0.1 . 1 . . . . . . . . 5813 1 658 . 1 1 62 62 GLU N N 15 117.682 0.1 . 1 . . . . . . . . 5813 1 659 . 1 1 62 62 GLU H H 1 8.019 0.1 . 1 . . . . . . . . 5813 1 660 . 1 1 62 62 GLU CA C 13 56.425 0.1 . 1 . . . . . . . . 5813 1 661 . 1 1 62 62 GLU HA H 1 3.936 0.1 . 1 . . . . . . . . 5813 1 662 . 1 1 62 62 GLU CB C 13 26.676 0.1 . 1 . . . . . . . . 5813 1 663 . 1 1 62 62 GLU HB2 H 1 1.997 0.1 . 1 . . . . . . . . 5813 1 664 . 1 1 62 62 GLU CG C 13 33.565 0.1 . 1 . . . . . . . . 5813 1 665 . 1 1 62 62 GLU HG2 H 1 2.305 0.1 . 1 . . . . . . . . 5813 1 666 . 1 1 62 62 GLU C C 13 175.547 0.1 . 1 . . . . . . . . 5813 1 667 . 1 1 63 63 LYS N N 15 119.499 0.1 . 1 . . . . . . . . 5813 1 668 . 1 1 63 63 LYS H H 1 7.624 0.1 . 1 . . . . . . . . 5813 1 669 . 1 1 63 63 LYS CA C 13 55.172 0.1 . 1 . . . . . . . . 5813 1 670 . 1 1 63 63 LYS HA H 1 3.949 0.1 . 1 . . . . . . . . 5813 1 671 . 1 1 63 63 LYS CB C 13 27.302 0.1 . 1 . . . . . . . . 5813 1 672 . 1 1 63 63 LYS HB2 H 1 1.979 0.1 . 1 . . . . . . . . 5813 1 673 . 1 1 63 63 LYS HB3 H 1 1.804 0.1 . 1 . . . . . . . . 5813 1 674 . 1 1 63 63 LYS CG C 13 22.605 0.1 . 1 . . . . . . . . 5813 1 675 . 1 1 63 63 LYS HG2 H 1 1.563 0.1 . 1 . . . . . . . . 5813 1 676 . 1 1 63 63 LYS HG3 H 1 1.477 0.1 . 1 . . . . . . . . 5813 1 677 . 1 1 63 63 LYS CD C 13 26.362 0.1 . 1 . . . . . . . . 5813 1 678 . 1 1 63 63 LYS HD2 H 1 1.596 0.1 . 1 . . . . . . . . 5813 1 679 . 1 1 63 63 LYS HE2 H 1 2.811 0.1 . 1 . . . . . . . . 5813 1 680 . 1 1 63 63 LYS HE3 H 1 2.654 0.1 . 1 . . . . . . . . 5813 1 681 . 1 1 63 63 LYS C C 13 175.130 0.1 . 1 . . . . . . . . 5813 1 682 . 1 1 64 64 ILE N N 15 117.940 0.1 . 1 . . . . . . . . 5813 1 683 . 1 1 64 64 ILE H H 1 7.533 0.1 . 1 . . . . . . . . 5813 1 684 . 1 1 64 64 ILE CA C 13 63.628 0.1 . 1 . . . . . . . . 5813 1 685 . 1 1 64 64 ILE HA H 1 3.301 0.1 . 1 . . . . . . . . 5813 1 686 . 1 1 64 64 ILE CB C 13 34.817 0.1 . 1 . . . . . . . . 5813 1 687 . 1 1 64 64 ILE HB H 1 1.851 0.1 . 1 . . . . . . . . 5813 1 688 . 1 1 64 64 ILE HG21 H 1 0.662 0.1 . 1 . . . . . . . . 5813 1 689 . 1 1 64 64 ILE HG22 H 1 0.662 0.1 . 1 . . . . . . . . 5813 1 690 . 1 1 64 64 ILE HG23 H 1 0.662 0.1 . 1 . . . . . . . . 5813 1 691 . 1 1 64 64 ILE CG2 C 13 16.028 0.1 . 1 . . . . . . . . 5813 1 692 . 1 1 64 64 ILE CG1 C 13 27.302 0.1 . 1 . . . . . . . . 5813 1 693 . 1 1 64 64 ILE HG12 H 1 1.803 0.1 . 1 . . . . . . . . 5813 1 694 . 1 1 64 64 ILE HG13 H 1 0.622 0.1 . 1 . . . . . . . . 5813 1 695 . 1 1 64 64 ILE HD11 H 1 0.555 0.1 . 1 . . . . . . . . 5813 1 696 . 1 1 64 64 ILE HD12 H 1 0.555 0.1 . 1 . . . . . . . . 5813 1 697 . 1 1 64 64 ILE HD13 H 1 0.555 0.1 . 1 . . . . . . . . 5813 1 698 . 1 1 64 64 ILE CD1 C 13 11.331 0.1 . 1 . . . . . . . . 5813 1 699 . 1 1 64 64 ILE C C 13 175.014 0.1 . 1 . . . . . . . . 5813 1 700 . 1 1 65 65 GLU N N 15 118.094 0.1 . 1 . . . . . . . . 5813 1 701 . 1 1 65 65 GLU H H 1 7.869 0.1 . 1 . . . . . . . . 5813 1 702 . 1 1 65 65 GLU HA H 1 4.644 0.1 . 1 . . . . . . . . 5813 1 703 . 1 1 65 65 GLU CB C 13 26.049 0.1 . 1 . . . . . . . . 5813 1 704 . 1 1 65 65 GLU HB2 H 1 2.121 0.1 . 1 . . . . . . . . 5813 1 705 . 1 1 65 65 GLU HB3 H 1 1.992 0.1 . 1 . . . . . . . . 5813 1 706 . 1 1 65 65 GLU CG C 13 33.878 0.1 . 1 . . . . . . . . 5813 1 707 . 1 1 65 65 GLU HG2 H 1 2.431 0.1 . 1 . . . . . . . . 5813 1 708 . 1 1 65 65 GLU HG3 H 1 2.316 0.1 . 1 . . . . . . . . 5813 1 709 . 1 1 65 65 GLU C C 13 179.714 0.1 . 1 . . . . . . . . 5813 1 710 . 1 1 66 66 LYS N N 15 122.495 0.1 . 1 . . . . . . . . 5813 1 711 . 1 1 66 66 LYS H H 1 8.659 0.1 . 1 . . . . . . . . 5813 1 712 . 1 1 66 66 LYS CA C 13 55.799 0.1 . 1 . . . . . . . . 5813 1 713 . 1 1 66 66 LYS HA H 1 3.960 0.1 . 1 . . . . . . . . 5813 1 714 . 1 1 66 66 LYS CB C 13 29.494 0.1 . 1 . . . . . . . . 5813 1 715 . 1 1 66 66 LYS HB2 H 1 1.970 0.1 . 1 . . . . . . . . 5813 1 716 . 1 1 66 66 LYS HB3 H 1 1.820 0.1 . 1 . . . . . . . . 5813 1 717 . 1 1 66 66 LYS HG2 H 1 1.536 0.1 . 1 . . . . . . . . 5813 1 718 . 1 1 66 66 LYS HG3 H 1 1.451 0.1 . 1 . . . . . . . . 5813 1 719 . 1 1 66 66 LYS CD C 13 26.362 0.1 . 1 . . . . . . . . 5813 1 720 . 1 1 66 66 LYS HD2 H 1 1.565 0.1 . 1 . . . . . . . . 5813 1 721 . 1 1 66 66 LYS HE2 H 1 2.833 0.1 . 1 . . . . . . . . 5813 1 722 . 1 1 66 66 LYS C C 13 176.519 0.1 . 1 . . . . . . . . 5813 1 723 . 1 1 67 67 LEU N N 15 118.096 0.1 . 1 . . . . . . . . 5813 1 724 . 1 1 67 67 LEU H H 1 7.865 0.1 . 1 . . . . . . . . 5813 1 725 . 1 1 67 67 LEU CA C 13 52.980 0.1 . 1 . . . . . . . . 5813 1 726 . 1 1 67 67 LEU HA H 1 4.138 0.1 . 1 . . . . . . . . 5813 1 727 . 1 1 67 67 LEU CB C 13 39.828 0.1 . 1 . . . . . . . . 5813 1 728 . 1 1 67 67 LEU HB2 H 1 2.193 0.1 . 1 . . . . . . . . 5813 1 729 . 1 1 67 67 LEU HB3 H 1 1.481 0.1 . 1 . . . . . . . . 5813 1 730 . 1 1 67 67 LEU CG C 13 23.857 0.1 . 1 . . . . . . . . 5813 1 731 . 1 1 67 67 LEU HG H 1 1.898 0.1 . 1 . . . . . . . . 5813 1 732 . 1 1 67 67 LEU HD11 H 1 0.800 0.1 . 1 . . . . . . . . 5813 1 733 . 1 1 67 67 LEU HD12 H 1 0.800 0.1 . 1 . . . . . . . . 5813 1 734 . 1 1 67 67 LEU HD13 H 1 0.800 0.1 . 1 . . . . . . . . 5813 1 735 . 1 1 67 67 LEU HD21 H 1 0.760 0.1 . 1 . . . . . . . . 5813 1 736 . 1 1 67 67 LEU HD22 H 1 0.760 0.1 . 1 . . . . . . . . 5813 1 737 . 1 1 67 67 LEU HD23 H 1 0.760 0.1 . 1 . . . . . . . . 5813 1 738 . 1 1 67 67 LEU CD1 C 13 20.099 0.1 . 1 . . . . . . . . 5813 1 739 . 1 1 67 67 LEU CD2 C 13 20.099 0.1 . 1 . . . . . . . . 5813 1 740 . 1 1 67 67 LEU C C 13 173.589 0.1 . 1 . . . . . . . . 5813 1 741 . 1 1 68 68 GLY N N 15 104.032 0.1 . 1 . . . . . . . . 5813 1 742 . 1 1 68 68 GLY H H 1 7.635 0.1 . 1 . . . . . . . . 5813 1 743 . 1 1 68 68 GLY CA C 13 41.707 0.1 . 1 . . . . . . . . 5813 1 744 . 1 1 68 68 GLY HA2 H 1 3.875 0.1 . 1 . . . . . . . . 5813 1 745 . 1 1 68 68 GLY HA3 H 1 3.360 0.1 . 1 . . . . . . . . 5813 1 746 . 1 1 68 68 GLY C C 13 170.344 0.1 . 1 . . . . . . . . 5813 1 747 . 1 1 69 69 TYR N N 15 119.790 0.1 . 1 . . . . . . . . 5813 1 748 . 1 1 69 69 TYR H H 1 7.243 0.1 . 1 . . . . . . . . 5813 1 749 . 1 1 69 69 TYR CA C 13 53.607 0.1 . 1 . . . . . . . . 5813 1 750 . 1 1 69 69 TYR HA H 1 4.581 0.1 . 1 . . . . . . . . 5813 1 751 . 1 1 69 69 TYR CB C 13 37.010 0.1 . 1 . . . . . . . . 5813 1 752 . 1 1 69 69 TYR HB2 H 1 3.063 0.1 . 1 . . . . . . . . 5813 1 753 . 1 1 69 69 TYR HB3 H 1 2.186 0.1 . 1 . . . . . . . . 5813 1 754 . 1 1 69 69 TYR HD2 H 1 6.670 0.1 . 1 . . . . . . . . 5813 1 755 . 1 1 69 69 TYR C C 13 170.194 0.1 . 1 . . . . . . . . 5813 1 756 . 1 1 70 70 HIS N N 15 114.259 0.1 . 1 . . . . . . . . 5813 1 757 . 1 1 70 70 HIS H H 1 7.659 0.1 . 1 . . . . . . . . 5813 1 758 . 1 1 70 70 HIS CA C 13 51.728 0.1 . 1 . . . . . . . . 5813 1 759 . 1 1 70 70 HIS HA H 1 5.055 0.1 . 1 . . . . . . . . 5813 1 760 . 1 1 70 70 HIS CB C 13 28.241 0.1 . 1 . . . . . . . . 5813 1 761 . 1 1 70 70 HIS HB2 H 1 3.032 0.1 . 1 . . . . . . . . 5813 1 762 . 1 1 70 70 HIS HB3 H 1 2.893 0.1 . 1 . . . . . . . . 5813 1 763 . 1 1 70 70 HIS HD2 H 1 6.955 0.1 . 1 . . . . . . . . 5813 1 764 . 1 1 70 70 HIS C C 13 171.100 0.1 . 1 . . . . . . . . 5813 1 765 . 1 1 71 71 VAL N N 15 125.890 0.1 . 1 . . . . . . . . 5813 1 766 . 1 1 71 71 VAL H H 1 8.863 0.1 . 1 . . . . . . . . 5813 1 767 . 1 1 71 71 VAL CA C 13 60.183 0.1 . 1 . . . . . . . . 5813 1 768 . 1 1 71 71 VAL HA H 1 4.230 0.1 . 1 . . . . . . . . 5813 1 769 . 1 1 71 71 VAL CB C 13 29.181 0.1 . 1 . . . . . . . . 5813 1 770 . 1 1 71 71 VAL HB H 1 1.841 0.1 . 1 . . . . . . . . 5813 1 771 . 1 1 71 71 VAL HG11 H 1 0.863 0.1 . 1 . . . . . . . . 5813 1 772 . 1 1 71 71 VAL HG12 H 1 0.863 0.1 . 1 . . . . . . . . 5813 1 773 . 1 1 71 71 VAL HG13 H 1 0.863 0.1 . 1 . . . . . . . . 5813 1 774 . 1 1 71 71 VAL HG21 H 1 0.777 0.1 . 1 . . . . . . . . 5813 1 775 . 1 1 71 71 VAL HG22 H 1 0.777 0.1 . 1 . . . . . . . . 5813 1 776 . 1 1 71 71 VAL HG23 H 1 0.777 0.1 . 1 . . . . . . . . 5813 1 777 . 1 1 71 71 VAL CG1 C 13 20.412 0.1 . 1 . . . . . . . . 5813 1 778 . 1 1 71 71 VAL CG2 C 13 18.847 0.1 . 1 . . . . . . . . 5813 1 779 . 1 1 71 71 VAL C C 13 172.823 0.1 . 1 . . . . . . . . 5813 1 780 . 1 1 72 72 VAL N N 15 129.553 0.1 . 1 . . . . . . . . 5813 1 781 . 1 1 72 72 VAL H H 1 8.587 0.1 . 1 . . . . . . . . 5813 1 782 . 1 1 72 72 VAL CA C 13 60.809 0.1 . 1 . . . . . . . . 5813 1 783 . 1 1 72 72 VAL HA H 1 3.764 0.1 . 1 . . . . . . . . 5813 1 784 . 1 1 72 72 VAL CB C 13 29.494 0.1 . 1 . . . . . . . . 5813 1 785 . 1 1 72 72 VAL HB H 1 1.705 0.1 . 1 . . . . . . . . 5813 1 786 . 1 1 72 72 VAL HG11 H 1 0.823 0.1 . 1 . . . . . . . . 5813 1 787 . 1 1 72 72 VAL HG12 H 1 0.823 0.1 . 1 . . . . . . . . 5813 1 788 . 1 1 72 72 VAL HG13 H 1 0.823 0.1 . 1 . . . . . . . . 5813 1 789 . 1 1 72 72 VAL HG21 H 1 0.747 0.1 . 1 . . . . . . . . 5813 1 790 . 1 1 72 72 VAL HG22 H 1 0.747 0.1 . 1 . . . . . . . . 5813 1 791 . 1 1 72 72 VAL HG23 H 1 0.747 0.1 . 1 . . . . . . . . 5813 1 792 . 1 1 72 72 VAL CG1 C 13 18.534 0.1 . 1 . . . . . . . . 5813 1 793 . 1 1 72 72 VAL CG2 C 13 18.220 0.1 . 1 . . . . . . . . 5813 1 794 . 1 1 72 72 VAL C C 13 172.840 0.1 . 1 . . . . . . . . 5813 1 795 . 1 1 73 73 THR N N 15 116.557 0.1 . 1 . . . . . . . . 5813 1 796 . 1 1 73 73 THR H H 1 7.749 0.1 . 1 . . . . . . . . 5813 1 797 . 1 1 73 73 THR CA C 13 56.738 0.1 . 1 . . . . . . . . 5813 1 798 . 1 1 73 73 THR HA H 1 4.520 0.1 . 1 . . . . . . . . 5813 1 799 . 1 1 73 73 THR CB C 13 68.638 0.1 . 1 . . . . . . . . 5813 1 800 . 1 1 73 73 THR HB H 1 4.009 0.1 . 1 . . . . . . . . 5813 1 801 . 1 1 73 73 THR HG21 H 1 0.883 0.1 . 1 . . . . . . . . 5813 1 802 . 1 1 73 73 THR HG22 H 1 0.883 0.1 . 1 . . . . . . . . 5813 1 803 . 1 1 73 73 THR HG23 H 1 0.883 0.1 . 1 . . . . . . . . 5813 1 804 . 1 1 73 73 THR CG2 C 13 19.160 0.1 . 1 . . . . . . . . 5813 1 805 . 1 1 73 73 THR C C 13 170.701 0.1 . 1 . . . . . . . . 5813 1 806 . 1 1 74 74 GLU N N 15 120.337 0.1 . 1 . . . . . . . . 5813 1 807 . 1 1 74 74 GLU H H 1 8.587 0.1 . 1 . . . . . . . . 5813 1 808 . 1 1 74 74 GLU CA C 13 51.415 0.1 . 1 . . . . . . . . 5813 1 809 . 1 1 74 74 GLU HA H 1 4.446 0.1 . 1 . . . . . . . . 5813 1 810 . 1 1 74 74 GLU CB C 13 30.433 0.1 . 1 . . . . . . . . 5813 1 811 . 1 1 74 74 GLU HB2 H 1 1.483 0.1 . 1 . . . . . . . . 5813 1 812 . 1 1 74 74 GLU CG C 13 33.565 0.1 . 1 . . . . . . . . 5813 1 813 . 1 1 74 74 GLU HG2 H 1 1.958 0.1 . 1 . . . . . . . . 5813 1 814 . 1 1 74 74 GLU C C 13 176.936 0.1 . 1 . . . . . . . . 5813 1 815 . 1 1 75 75 LYS N N 15 118.805 0.1 . 1 . . . . . . . . 5813 1 816 . 1 1 75 75 LYS H H 1 8.255 0.1 . 1 . . . . . . . . 5813 1 817 . 1 1 75 75 LYS CA C 13 51.728 0.1 . 1 . . . . . . . . 5813 1 818 . 1 1 75 75 LYS HA H 1 5.535 0.1 . 1 . . . . . . . . 5813 1 819 . 1 1 75 75 LYS CB C 13 32.939 0.1 . 1 . . . . . . . . 5813 1 820 . 1 1 75 75 LYS HB2 H 1 1.506 0.1 . 1 . . . . . . . . 5813 1 821 . 1 1 75 75 LYS HB3 H 1 1.388 0.1 . 1 . . . . . . . . 5813 1 822 . 1 1 75 75 LYS CG C 13 22.918 0.1 . 1 . . . . . . . . 5813 1 823 . 1 1 75 75 LYS HG2 H 1 1.275 0.1 . 1 . . . . . . . . 5813 1 824 . 1 1 75 75 LYS HG3 H 1 1.049 0.1 . 1 . . . . . . . . 5813 1 825 . 1 1 75 75 LYS CD C 13 26.989 0.1 . 1 . . . . . . . . 5813 1 826 . 1 1 75 75 LYS HD2 H 1 1.454 0.1 . 1 . . . . . . . . 5813 1 827 . 1 1 75 75 LYS HE2 H 1 2.734 0.1 . 1 . . . . . . . . 5813 1 828 . 1 1 75 75 LYS C C 13 173.298 0.1 . 1 . . . . . . . . 5813 1 829 . 1 1 76 76 ALA N N 15 126.017 0.1 . 1 . . . . . . . . 5813 1 830 . 1 1 76 76 ALA H H 1 8.929 0.1 . 1 . . . . . . . . 5813 1 831 . 1 1 76 76 ALA CA C 13 47.970 0.1 . 1 . . . . . . . . 5813 1 832 . 1 1 76 76 ALA HA H 1 4.556 0.1 . 1 . . . . . . . . 5813 1 833 . 1 1 76 76 ALA HB1 H 1 1.066 0.1 . 1 . . . . . . . . 5813 1 834 . 1 1 76 76 ALA HB2 H 1 1.066 0.1 . 1 . . . . . . . . 5813 1 835 . 1 1 76 76 ALA HB3 H 1 1.066 0.1 . 1 . . . . . . . . 5813 1 836 . 1 1 76 76 ALA CB C 13 19.786 0.1 . 1 . . . . . . . . 5813 1 837 . 1 1 76 76 ALA C C 13 171.195 0.1 . 1 . . . . . . . . 5813 1 838 . 1 1 77 77 GLU N N 15 122.635 0.1 . 1 . . . . . . . . 5813 1 839 . 1 1 77 77 GLU H H 1 8.348 0.1 . 1 . . . . . . . . 5813 1 840 . 1 1 77 77 GLU CA C 13 52.354 0.1 . 1 . . . . . . . . 5813 1 841 . 1 1 77 77 GLU HA H 1 4.848 0.1 . 1 . . . . . . . . 5813 1 842 . 1 1 77 77 GLU CB C 13 29.181 0.1 . 1 . . . . . . . . 5813 1 843 . 1 1 77 77 GLU HB2 H 1 1.765 0.1 . 1 . . . . . . . . 5813 1 844 . 1 1 77 77 GLU HB3 H 1 1.684 0.1 . 1 . . . . . . . . 5813 1 845 . 1 1 77 77 GLU CG C 13 33.565 0.1 . 1 . . . . . . . . 5813 1 846 . 1 1 77 77 GLU HG2 H 1 2.089 0.1 . 1 . . . . . . . . 5813 1 847 . 1 1 77 77 GLU HG3 H 1 2.022 0.1 . 1 . . . . . . . . 5813 1 848 . 1 1 77 77 GLU C C 13 171.726 0.1 . 1 . . . . . . . . 5813 1 849 . 1 1 78 78 PHE N N 15 119.516 0.1 . 1 . . . . . . . . 5813 1 850 . 1 1 78 78 PHE H H 1 8.967 0.1 . 1 . . . . . . . . 5813 1 851 . 1 1 78 78 PHE CA C 13 53.607 0.1 . 1 . . . . . . . . 5813 1 852 . 1 1 78 78 PHE HA H 1 5.269 0.1 . 1 . . . . . . . . 5813 1 853 . 1 1 78 78 PHE CB C 13 39.828 0.1 . 1 . . . . . . . . 5813 1 854 . 1 1 78 78 PHE HB2 H 1 2.847 0.1 . 1 . . . . . . . . 5813 1 855 . 1 1 78 78 PHE HB3 H 1 2.618 0.1 . 1 . . . . . . . . 5813 1 856 . 1 1 78 78 PHE HD2 H 1 6.873 0.1 . 1 . . . . . . . . 5813 1 857 . 1 1 78 78 PHE C C 13 174.140 0.1 . 1 . . . . . . . . 5813 1 858 . 1 1 79 79 ASP N N 15 120.763 0.1 . 1 . . . . . . . . 5813 1 859 . 1 1 79 79 ASP H H 1 9.145 0.1 . 1 . . . . . . . . 5813 1 860 . 1 1 79 79 ASP CA C 13 52.041 0.1 . 1 . . . . . . . . 5813 1 861 . 1 1 79 79 ASP HA H 1 5.198 0.1 . 1 . . . . . . . . 5813 1 862 . 1 1 79 79 ASP CB C 13 40.454 0.1 . 1 . . . . . . . . 5813 1 863 . 1 1 79 79 ASP HB2 H 1 2.761 0.1 . 1 . . . . . . . . 5813 1 864 . 1 1 79 79 ASP HB3 H 1 2.371 0.1 . 1 . . . . . . . . 5813 1 865 . 1 1 79 79 ASP C C 13 172.899 0.1 . 1 . . . . . . . . 5813 1 866 . 1 1 80 80 ILE N N 15 118.813 0.1 . 1 . . . . . . . . 5813 1 867 . 1 1 80 80 ILE H H 1 8.155 0.1 . 1 . . . . . . . . 5813 1 868 . 1 1 80 80 ILE CA C 13 57.364 0.1 . 1 . . . . . . . . 5813 1 869 . 1 1 80 80 ILE HA H 1 4.793 0.1 . 1 . . . . . . . . 5813 1 870 . 1 1 80 80 ILE CB C 13 38.262 0.1 . 1 . . . . . . . . 5813 1 871 . 1 1 80 80 ILE HB H 1 1.129 0.1 . 1 . . . . . . . . 5813 1 872 . 1 1 80 80 ILE HG12 H 1 0.607 0.1 . 1 . . . . . . . . 5813 1 873 . 1 1 80 80 ILE HG13 H 1 1.323 0.1 . 1 . . . . . . . . 5813 1 874 . 1 1 80 80 ILE CG2 C 13 15.402 0.1 . 1 . . . . . . . . 5813 1 875 . 1 1 80 80 ILE CG1 C 13 25.110 0.1 . 1 . . . . . . . . 5813 1 876 . 1 1 80 80 ILE HD11 H 1 0.509 0.1 . 1 . . . . . . . . 5813 1 877 . 1 1 80 80 ILE HD12 H 1 0.509 0.1 . 1 . . . . . . . . 5813 1 878 . 1 1 80 80 ILE HD13 H 1 0.509 0.1 . 1 . . . . . . . . 5813 1 879 . 1 1 80 80 ILE CD1 C 13 12.584 0.1 . 1 . . . . . . . . 5813 1 880 . 1 1 80 80 ILE C C 13 174.081 0.1 . 1 . . . . . . . . 5813 1 881 . 1 1 81 81 GLU N N 15 129.161 0.1 . 1 . . . . . . . . 5813 1 882 . 1 1 81 81 GLU H H 1 9.413 0.1 . 1 . . . . . . . . 5813 1 883 . 1 1 81 81 GLU HA H 1 4.772 0.1 . 1 . . . . . . . . 5813 1 884 . 1 1 81 81 GLU CB C 13 30.120 0.1 . 1 . . . . . . . . 5813 1 885 . 1 1 81 81 GLU HB2 H 1 1.942 0.1 . 1 . . . . . . . . 5813 1 886 . 1 1 81 81 GLU HB3 H 1 1.802 0.1 . 1 . . . . . . . . 5813 1 887 . 1 1 81 81 GLU CG C 13 33.565 0.1 . 1 . . . . . . . . 5813 1 888 . 1 1 81 81 GLU HG2 H 1 2.071 0.1 . 1 . . . . . . . . 5813 1 889 . 1 1 81 81 GLU C C 13 173.643 0.1 . 1 . . . . . . . . 5813 1 890 . 1 1 82 82 GLY N N 15 109.846 0.1 . 1 . . . . . . . . 5813 1 891 . 1 1 82 82 GLY H H 1 8.755 0.1 . 1 . . . . . . . . 5813 1 892 . 1 1 82 82 GLY CA C 13 42.646 0.1 . 1 . . . . . . . . 5813 1 893 . 1 1 82 82 GLY HA2 H 1 4.638 0.1 . 1 . . . . . . . . 5813 1 894 . 1 1 82 82 GLY HA3 H 1 3.690 0.1 . 1 . . . . . . . . 5813 1 895 . 1 1 82 82 GLY C C 13 172.868 0.1 . 1 . . . . . . . . 5813 1 896 . 1 1 83 83 MET N N 15 119.649 0.1 . 1 . . . . . . . . 5813 1 897 . 1 1 83 83 MET H H 1 9.039 0.1 . 1 . . . . . . . . 5813 1 898 . 1 1 83 83 MET HA H 1 4.656 0.1 . 1 . . . . . . . . 5813 1 899 . 1 1 83 83 MET HB2 H 1 2.407 0.1 . 1 . . . . . . . . 5813 1 900 . 1 1 83 83 MET HB3 H 1 1.476 0.1 . 1 . . . . . . . . 5813 1 901 . 1 1 83 83 MET HG2 H 1 1.892 0.1 . 1 . . . . . . . . 5813 1 902 . 1 1 83 83 MET HG3 H 1 1.814 0.1 . 1 . . . . . . . . 5813 1 903 . 1 1 83 83 MET C C 13 175.159 0.1 . 1 . . . . . . . . 5813 1 904 . 1 1 84 84 THR N N 15 118.805 0.1 . 1 . . . . . . . . 5813 1 905 . 1 1 84 84 THR H H 1 10.473 0.1 . 1 . . . . . . . . 5813 1 906 . 1 1 84 84 THR CA C 13 59.557 0.1 . 1 . . . . . . . . 5813 1 907 . 1 1 84 84 THR HA H 1 4.656 0.1 . 1 . . . . . . . . 5813 1 908 . 1 1 84 84 THR CB C 13 68.325 0.1 . 1 . . . . . . . . 5813 1 909 . 1 1 84 84 THR HB H 1 4.298 0.1 . 1 . . . . . . . . 5813 1 910 . 1 1 84 84 THR HG21 H 1 1.188 0.1 . 1 . . . . . . . . 5813 1 911 . 1 1 84 84 THR HG22 H 1 1.188 0.1 . 1 . . . . . . . . 5813 1 912 . 1 1 84 84 THR HG23 H 1 1.188 0.1 . 1 . . . . . . . . 5813 1 913 . 1 1 84 84 THR C C 13 172.026 0.1 . 1 . . . . . . . . 5813 1 914 . 1 1 85 85 CYS N N 15 117.962 0.1 . 1 . . . . . . . . 5813 1 915 . 1 1 85 85 CYS H H 1 8.462 0.1 . 1 . . . . . . . . 5813 1 916 . 1 1 85 85 CYS CA C 13 53.920 0.1 . 1 . . . . . . . . 5813 1 917 . 1 1 85 85 CYS HA H 1 4.783 0.1 . 1 . . . . . . . . 5813 1 918 . 1 1 85 85 CYS CB C 13 27.928 0.1 . 1 . . . . . . . . 5813 1 919 . 1 1 85 85 CYS HB2 H 1 3.349 0.1 . 1 . . . . . . . . 5813 1 920 . 1 1 85 85 CYS HB3 H 1 2.824 0.1 . 1 . . . . . . . . 5813 1 921 . 1 1 85 85 CYS C C 13 173.407 0.1 . 1 . . . . . . . . 5813 1 922 . 1 1 86 86 ALA N N 15 124.979 0.1 . 1 . . . . . . . . 5813 1 923 . 1 1 86 86 ALA H H 1 8.152 0.1 . 1 . . . . . . . . 5813 1 924 . 1 1 86 86 ALA C C 13 174.283 0.1 . 1 . . . . . . . . 5813 1 925 . 1 1 87 87 ALA N N 15 119.425 0.1 . 1 . . . . . . . . 5813 1 926 . 1 1 87 87 ALA H H 1 8.088 0.1 . 1 . . . . . . . . 5813 1 927 . 1 1 87 87 ALA HA H 1 4.022 0.1 . 1 . . . . . . . . 5813 1 928 . 1 1 87 87 ALA HB1 H 1 1.409 0.1 . 1 . . . . . . . . 5813 1 929 . 1 1 87 87 ALA HB2 H 1 1.409 0.1 . 1 . . . . . . . . 5813 1 930 . 1 1 87 87 ALA HB3 H 1 1.409 0.1 . 1 . . . . . . . . 5813 1 931 . 1 1 87 87 ALA CB C 13 16.028 0.1 . 1 . . . . . . . . 5813 1 932 . 1 1 87 87 ALA C C 13 177.988 0.1 . 1 . . . . . . . . 5813 1 933 . 1 1 88 88 CYS N N 15 121.805 0.1 . 1 . . . . . . . . 5813 1 934 . 1 1 88 88 CYS H H 1 7.785 0.1 . 1 . . . . . . . . 5813 1 935 . 1 1 88 88 CYS CA C 13 61.749 0.1 . 1 . . . . . . . . 5813 1 936 . 1 1 88 88 CYS HA H 1 3.740 0.1 . 1 . . . . . . . . 5813 1 937 . 1 1 88 88 CYS CB C 13 26.989 0.1 . 1 . . . . . . . . 5813 1 938 . 1 1 88 88 CYS HB2 H 1 3.206 0.1 . 1 . . . . . . . . 5813 1 939 . 1 1 88 88 CYS HB3 H 1 2.492 0.1 . 1 . . . . . . . . 5813 1 940 . 1 1 88 88 CYS C C 13 174.653 0.1 . 1 . . . . . . . . 5813 1 941 . 1 1 89 89 ALA N N 15 118.794 0.1 . 1 . . . . . . . . 5813 1 942 . 1 1 89 89 ALA H H 1 6.531 0.1 . 1 . . . . . . . . 5813 1 943 . 1 1 89 89 ALA CA C 13 52.354 0.1 . 1 . . . . . . . . 5813 1 944 . 1 1 89 89 ALA HA H 1 3.763 0.1 . 1 . . . . . . . . 5813 1 945 . 1 1 89 89 ALA HB1 H 1 1.422 0.1 . 1 . . . . . . . . 5813 1 946 . 1 1 89 89 ALA HB2 H 1 1.422 0.1 . 1 . . . . . . . . 5813 1 947 . 1 1 89 89 ALA HB3 H 1 1.422 0.1 . 1 . . . . . . . . 5813 1 948 . 1 1 89 89 ALA CB C 13 16.028 0.1 . 1 . . . . . . . . 5813 1 949 . 1 1 89 89 ALA C C 13 176.337 0.1 . 1 . . . . . . . . 5813 1 950 . 1 1 90 90 ASN N N 15 114.826 0.1 . 1 . . . . . . . . 5813 1 951 . 1 1 90 90 ASN H H 1 7.359 0.1 . 1 . . . . . . . . 5813 1 952 . 1 1 90 90 ASN CA C 13 53.607 0.1 . 1 . . . . . . . . 5813 1 953 . 1 1 90 90 ASN HA H 1 4.367 0.1 . 1 . . . . . . . . 5813 1 954 . 1 1 90 90 ASN CB C 13 36.383 0.1 . 1 . . . . . . . . 5813 1 955 . 1 1 90 90 ASN HB2 H 1 2.698 0.1 . 1 . . . . . . . . 5813 1 956 . 1 1 90 90 ASN ND2 N 15 111.836 0.1 . 1 . . . . . . . . 5813 1 957 . 1 1 90 90 ASN HD21 H 1 7.642 0.1 . 1 . . . . . . . . 5813 1 958 . 1 1 90 90 ASN HD22 H 1 6.887 0.1 . 1 . . . . . . . . 5813 1 959 . 1 1 90 90 ASN C C 13 174.114 0.1 . 1 . . . . . . . . 5813 1 960 . 1 1 91 91 ARG N N 15 119.236 0.1 . 1 . . . . . . . . 5813 1 961 . 1 1 91 91 ARG H H 1 7.937 0.1 . 1 . . . . . . . . 5813 1 962 . 1 1 91 91 ARG CA C 13 56.738 0.1 . 1 . . . . . . . . 5813 1 963 . 1 1 91 91 ARG HA H 1 3.896 0.1 . 1 . . . . . . . . 5813 1 964 . 1 1 91 91 ARG CB C 13 27.928 0.1 . 1 . . . . . . . . 5813 1 965 . 1 1 91 91 ARG HB2 H 1 1.943 0.1 . 1 . . . . . . . . 5813 1 966 . 1 1 91 91 ARG HB3 H 1 1.825 0.1 . 1 . . . . . . . . 5813 1 967 . 1 1 91 91 ARG CG C 13 24.797 0.1 . 1 . . . . . . . . 5813 1 968 . 1 1 91 91 ARG HG2 H 1 1.798 0.1 . 1 . . . . . . . . 5813 1 969 . 1 1 91 91 ARG HG3 H 1 1.597 0.1 . 1 . . . . . . . . 5813 1 970 . 1 1 91 91 ARG HD3 H 1 3.258 0.1 . 1 . . . . . . . . 5813 1 971 . 1 1 92 92 ILE N N 15 119.913 0.1 . 1 . . . . . . . . 5813 1 972 . 1 1 92 92 ILE H H 1 7.872 0.1 . 1 . . . . . . . . 5813 1 973 . 1 1 92 92 ILE CA C 13 63.314 0.1 . 1 . . . . . . . . 5813 1 974 . 1 1 92 92 ILE HA H 1 3.203 0.1 . 1 . . . . . . . . 5813 1 975 . 1 1 92 92 ILE CB C 13 36.070 0.1 . 1 . . . . . . . . 5813 1 976 . 1 1 92 92 ILE HB H 1 1.577 0.1 . 1 . . . . . . . . 5813 1 977 . 1 1 92 92 ILE HG21 H 1 0.492 0.1 . 1 . . . . . . . . 5813 1 978 . 1 1 92 92 ILE HG22 H 1 0.492 0.1 . 1 . . . . . . . . 5813 1 979 . 1 1 92 92 ILE HG23 H 1 0.492 0.1 . 1 . . . . . . . . 5813 1 980 . 1 1 92 92 ILE CG2 C 13 14.463 0.1 . 1 . . . . . . . . 5813 1 981 . 1 1 92 92 ILE CG1 C 13 28.241 0.1 . 1 . . . . . . . . 5813 1 982 . 1 1 92 92 ILE HG12 H 1 1.450 0.1 . 1 . . . . . . . . 5813 1 983 . 1 1 92 92 ILE HG13 H 1 0.291 0.1 . 1 . . . . . . . . 5813 1 984 . 1 1 92 92 ILE HD11 H 1 0.023 0.1 . 1 . . . . . . . . 5813 1 985 . 1 1 92 92 ILE HD12 H 1 0.023 0.1 . 1 . . . . . . . . 5813 1 986 . 1 1 92 92 ILE HD13 H 1 0.023 0.1 . 1 . . . . . . . . 5813 1 987 . 1 1 92 92 ILE CD1 C 13 11.018 0.1 . 1 . . . . . . . . 5813 1 988 . 1 1 93 93 GLU N N 15 120.763 0.1 . 1 . . . . . . . . 5813 1 989 . 1 1 93 93 GLU H H 1 8.223 0.1 . 1 . . . . . . . . 5813 1 990 . 1 1 93 93 GLU CA C 13 57.678 0.1 . 1 . . . . . . . . 5813 1 991 . 1 1 93 93 GLU HA H 1 3.712 0.1 . 1 . . . . . . . . 5813 1 992 . 1 1 93 93 GLU CB C 13 27.302 0.1 . 1 . . . . . . . . 5813 1 993 . 1 1 93 93 GLU HB2 H 1 2.247 0.1 . 1 . . . . . . . . 5813 1 994 . 1 1 93 93 GLU HB3 H 1 1.920 0.1 . 1 . . . . . . . . 5813 1 995 . 1 1 93 93 GLU CG C 13 32.939 0.1 . 1 . . . . . . . . 5813 1 996 . 1 1 93 93 GLU HG2 H 1 2.520 0.1 . 1 . . . . . . . . 5813 1 997 . 1 1 93 93 GLU HG3 H 1 2.060 0.1 . 1 . . . . . . . . 5813 1 998 . 1 1 93 93 GLU C C 13 176.304 0.1 . 1 . . . . . . . . 5813 1 999 . 1 1 94 94 LYS N N 15 116.097 0.1 . 1 . . . . . . . . 5813 1 1000 . 1 1 94 94 LYS H H 1 8.277 0.1 . 1 . . . . . . . . 5813 1 1001 . 1 1 94 94 LYS CA C 13 56.738 0.1 . 1 . . . . . . . . 5813 1 1002 . 1 1 94 94 LYS HA H 1 3.914 0.1 . 1 . . . . . . . . 5813 1 1003 . 1 1 94 94 LYS CB C 13 29.807 0.1 . 1 . . . . . . . . 5813 1 1004 . 1 1 94 94 LYS HB2 H 1 1.797 0.1 . 1 . . . . . . . . 5813 1 1005 . 1 1 94 94 LYS HB3 H 1 1.682 0.1 . 1 . . . . . . . . 5813 1 1006 . 1 1 94 94 LYS CG C 13 22.918 0.1 . 1 . . . . . . . . 5813 1 1007 . 1 1 94 94 LYS HG2 H 1 1.494 0.1 . 1 . . . . . . . . 5813 1 1008 . 1 1 94 94 LYS HG3 H 1 1.361 0.1 . 1 . . . . . . . . 5813 1 1009 . 1 1 94 94 LYS CD C 13 26.049 0.1 . 1 . . . . . . . . 5813 1 1010 . 1 1 94 94 LYS HD2 H 1 1.557 0.1 . 1 . . . . . . . . 5813 1 1011 . 1 1 94 94 LYS HE2 H 1 2.874 0.1 . 1 . . . . . . . . 5813 1 1012 . 1 1 94 94 LYS C C 13 176.607 0.1 . 1 . . . . . . . . 5813 1 1013 . 1 1 95 95 ARG N N 15 117.086 0.1 . 1 . . . . . . . . 5813 1 1014 . 1 1 95 95 ARG H H 1 7.549 0.1 . 1 . . . . . . . . 5813 1 1015 . 1 1 95 95 ARG CA C 13 54.233 0.1 . 1 . . . . . . . . 5813 1 1016 . 1 1 95 95 ARG HA H 1 4.196 0.1 . 1 . . . . . . . . 5813 1 1017 . 1 1 95 95 ARG HB2 H 1 1.569 0.1 . 1 . . . . . . . . 5813 1 1018 . 1 1 95 95 ARG CG C 13 22.605 0.1 . 1 . . . . . . . . 5813 1 1019 . 1 1 95 95 ARG HG2 H 1 1.267 0.1 . 1 . . . . . . . . 5813 1 1020 . 1 1 95 95 ARG HD2 H 1 1.473 0.1 . 1 . . . . . . . . 5813 1 1021 . 1 1 95 95 ARG C C 13 176.910 0.1 . 1 . . . . . . . . 5813 1 1022 . 1 1 96 96 LEU N N 15 119.227 0.1 . 1 . . . . . . . . 5813 1 1023 . 1 1 96 96 LEU H H 1 8.441 0.1 . 1 . . . . . . . . 5813 1 1024 . 1 1 96 96 LEU CA C 13 55.172 0.1 . 1 . . . . . . . . 5813 1 1025 . 1 1 96 96 LEU HA H 1 3.851 0.1 . 1 . . . . . . . . 5813 1 1026 . 1 1 96 96 LEU CB C 13 39.515 0.1 . 1 . . . . . . . . 5813 1 1027 . 1 1 96 96 LEU HB2 H 1 1.822 0.1 . 1 . . . . . . . . 5813 1 1028 . 1 1 96 96 LEU HB3 H 1 0.909 0.1 . 1 . . . . . . . . 5813 1 1029 . 1 1 96 96 LEU CG C 13 24.170 0.1 . 1 . . . . . . . . 5813 1 1030 . 1 1 96 96 LEU HG H 1 0.461 0.1 . 1 . . . . . . . . 5813 1 1031 . 1 1 96 96 LEU HD11 H 1 0.598 0.1 . 1 . . . . . . . . 5813 1 1032 . 1 1 96 96 LEU HD12 H 1 0.598 0.1 . 1 . . . . . . . . 5813 1 1033 . 1 1 96 96 LEU HD13 H 1 0.598 0.1 . 1 . . . . . . . . 5813 1 1034 . 1 1 96 96 LEU HD21 H 1 0.569 0.1 . 1 . . . . . . . . 5813 1 1035 . 1 1 96 96 LEU HD22 H 1 0.569 0.1 . 1 . . . . . . . . 5813 1 1036 . 1 1 96 96 LEU HD23 H 1 0.569 0.1 . 1 . . . . . . . . 5813 1 1037 . 1 1 96 96 LEU CD2 C 13 21.039 0.1 . 1 . . . . . . . . 5813 1 1038 . 1 1 96 96 LEU C C 13 175.293 0.1 . 1 . . . . . . . . 5813 1 1039 . 1 1 97 97 ASN N N 15 112.698 0.1 . 1 . . . . . . . . 5813 1 1040 . 1 1 97 97 ASN H H 1 7.763 0.1 . 1 . . . . . . . . 5813 1 1041 . 1 1 97 97 ASN CA C 13 52.667 0.1 . 1 . . . . . . . . 5813 1 1042 . 1 1 97 97 ASN HA H 1 4.225 0.1 . 1 . . . . . . . . 5813 1 1043 . 1 1 97 97 ASN CB C 13 36.696 0.1 . 1 . . . . . . . . 5813 1 1044 . 1 1 97 97 ASN HB2 H 1 2.631 0.1 . 1 . . . . . . . . 5813 1 1045 . 1 1 97 97 ASN ND2 N 15 110.844 0.1 . 1 . . . . . . . . 5813 1 1046 . 1 1 97 97 ASN HD21 H 1 7.099 0.1 . 1 . . . . . . . . 5813 1 1047 . 1 1 97 97 ASN HD22 H 1 7.013 0.1 . 1 . . . . . . . . 5813 1 1048 . 1 1 97 97 ASN C C 13 173.104 0.1 . 1 . . . . . . . . 5813 1 1049 . 1 1 98 98 LYS N N 15 116.233 0.1 . 1 . . . . . . . . 5813 1 1050 . 1 1 98 98 LYS H H 1 7.083 0.1 . 1 . . . . . . . . 5813 1 1051 . 1 1 98 98 LYS CA C 13 53.607 0.1 . 1 . . . . . . . . 5813 1 1052 . 1 1 98 98 LYS HA H 1 4.208 0.1 . 1 . . . . . . . . 5813 1 1053 . 1 1 98 98 LYS CB C 13 30.433 0.1 . 1 . . . . . . . . 5813 1 1054 . 1 1 98 98 LYS HB2 H 1 1.914 0.1 . 1 . . . . . . . . 5813 1 1055 . 1 1 98 98 LYS HB3 H 1 1.765 0.1 . 1 . . . . . . . . 5813 1 1056 . 1 1 98 98 LYS CG C 13 22.605 0.1 . 1 . . . . . . . . 5813 1 1057 . 1 1 98 98 LYS HG2 H 1 1.556 0.1 . 1 . . . . . . . . 5813 1 1058 . 1 1 98 98 LYS HG3 H 1 1.489 0.1 . 1 . . . . . . . . 5813 1 1059 . 1 1 98 98 LYS HD2 H 1 1.578 0.1 . 1 . . . . . . . . 5813 1 1060 . 1 1 98 98 LYS HE3 H 1 2.885 0.1 . 1 . . . . . . . . 5813 1 1061 . 1 1 98 98 LYS C C 13 174.384 0.1 . 1 . . . . . . . . 5813 1 1062 . 1 1 99 99 ILE N N 15 123.185 0.1 . 1 . . . . . . . . 5813 1 1063 . 1 1 99 99 ILE H H 1 7.358 0.1 . 1 . . . . . . . . 5813 1 1064 . 1 1 99 99 ILE CA C 13 59.243 0.1 . 1 . . . . . . . . 5813 1 1065 . 1 1 99 99 ILE HA H 1 3.822 0.1 . 1 . . . . . . . . 5813 1 1066 . 1 1 99 99 ILE CB C 13 34.504 0.1 . 1 . . . . . . . . 5813 1 1067 . 1 1 99 99 ILE HB H 1 1.993 0.1 . 1 . . . . . . . . 5813 1 1068 . 1 1 99 99 ILE HG21 H 1 0.733 0.1 . 1 . . . . . . . . 5813 1 1069 . 1 1 99 99 ILE HG22 H 1 0.733 0.1 . 1 . . . . . . . . 5813 1 1070 . 1 1 99 99 ILE HG23 H 1 0.733 0.1 . 1 . . . . . . . . 5813 1 1071 . 1 1 99 99 ILE CG2 C 13 13.523 0.1 . 1 . . . . . . . . 5813 1 1072 . 1 1 99 99 ILE CG1 C 13 24.797 0.1 . 1 . . . . . . . . 5813 1 1073 . 1 1 99 99 ILE HG12 H 1 1.691 0.1 . 1 . . . . . . . . 5813 1 1074 . 1 1 99 99 ILE HG13 H 1 1.004 0.1 . 1 . . . . . . . . 5813 1 1075 . 1 1 99 99 ILE HD11 H 1 0.667 0.1 . 1 . . . . . . . . 5813 1 1076 . 1 1 99 99 ILE HD12 H 1 0.667 0.1 . 1 . . . . . . . . 5813 1 1077 . 1 1 99 99 ILE HD13 H 1 0.667 0.1 . 1 . . . . . . . . 5813 1 1078 . 1 1 99 99 ILE CD1 C 13 12.270 0.1 . 1 . . . . . . . . 5813 1 1079 . 1 1 99 99 ILE C C 13 173.980 0.1 . 1 . . . . . . . . 5813 1 1080 . 1 1 100 100 GLU N N 15 130.595 0.1 . 1 . . . . . . . . 5813 1 1081 . 1 1 100 100 GLU H H 1 8.860 0.1 . 1 . . . . . . . . 5813 1 1082 . 1 1 100 100 GLU CA C 13 56.112 0.1 . 1 . . . . . . . . 5813 1 1083 . 1 1 100 100 GLU HA H 1 3.935 0.1 . 1 . . . . . . . . 5813 1 1084 . 1 1 100 100 GLU CB C 13 26.049 0.1 . 1 . . . . . . . . 5813 1 1085 . 1 1 100 100 GLU HB2 H 1 1.994 0.1 . 1 . . . . . . . . 5813 1 1086 . 1 1 100 100 GLU CG C 13 33.565 0.1 . 1 . . . . . . . . 5813 1 1087 . 1 1 100 100 GLU HG2 H 1 2.314 0.1 . 1 . . . . . . . . 5813 1 1088 . 1 1 100 100 GLU C C 13 173.676 0.1 . 1 . . . . . . . . 5813 1 1089 . 1 1 101 101 GLY N N 15 109.170 0.1 . 1 . . . . . . . . 5813 1 1090 . 1 1 101 101 GLY H H 1 8.588 0.1 . 1 . . . . . . . . 5813 1 1091 . 1 1 101 101 GLY CA C 13 42.646 0.1 . 1 . . . . . . . . 5813 1 1092 . 1 1 101 101 GLY HA2 H 1 4.300 0.1 . 1 . . . . . . . . 5813 1 1093 . 1 1 101 101 GLY HA3 H 1 3.884 0.1 . 1 . . . . . . . . 5813 1 1094 . 1 1 101 101 GLY C C 13 172.801 0.1 . 1 . . . . . . . . 5813 1 1095 . 1 1 102 102 VAL N N 15 123.056 0.1 . 1 . . . . . . . . 5813 1 1096 . 1 1 102 102 VAL H H 1 8.003 0.1 . 1 . . . . . . . . 5813 1 1097 . 1 1 102 102 VAL CA C 13 61.435 0.1 . 1 . . . . . . . . 5813 1 1098 . 1 1 102 102 VAL HA H 1 3.930 0.1 . 1 . . . . . . . . 5813 1 1099 . 1 1 102 102 VAL CB C 13 29.181 0.1 . 1 . . . . . . . . 5813 1 1100 . 1 1 102 102 VAL HB H 1 2.322 0.1 . 1 . . . . . . . . 5813 1 1101 . 1 1 102 102 VAL HG11 H 1 0.642 0.1 . 1 . . . . . . . . 5813 1 1102 . 1 1 102 102 VAL HG12 H 1 0.642 0.1 . 1 . . . . . . . . 5813 1 1103 . 1 1 102 102 VAL HG13 H 1 0.642 0.1 . 1 . . . . . . . . 5813 1 1104 . 1 1 102 102 VAL HG21 H 1 0.622 0.1 . 1 . . . . . . . . 5813 1 1105 . 1 1 102 102 VAL HG22 H 1 0.622 0.1 . 1 . . . . . . . . 5813 1 1106 . 1 1 102 102 VAL HG23 H 1 0.622 0.1 . 1 . . . . . . . . 5813 1 1107 . 1 1 102 102 VAL CG1 C 13 18.847 0.1 . 1 . . . . . . . . 5813 1 1108 . 1 1 102 102 VAL CG2 C 13 18.847 0.1 . 1 . . . . . . . . 5813 1 1109 . 1 1 102 102 VAL C C 13 172.194 0.1 . 1 . . . . . . . . 5813 1 1110 . 1 1 103 103 ALA N N 15 131.171 0.1 . 1 . . . . . . . . 5813 1 1111 . 1 1 103 103 ALA H H 1 9.169 0.1 . 1 . . . . . . . . 5813 1 1112 . 1 1 103 103 ALA CA C 13 50.475 0.1 . 1 . . . . . . . . 5813 1 1113 . 1 1 103 103 ALA HA H 1 4.382 0.1 . 1 . . . . . . . . 5813 1 1114 . 1 1 103 103 ALA HB1 H 1 1.219 0.1 . 1 . . . . . . . . 5813 1 1115 . 1 1 103 103 ALA HB2 H 1 1.219 0.1 . 1 . . . . . . . . 5813 1 1116 . 1 1 103 103 ALA HB3 H 1 1.219 0.1 . 1 . . . . . . . . 5813 1 1117 . 1 1 103 103 ALA CB C 13 17.594 0.1 . 1 . . . . . . . . 5813 1 1118 . 1 1 103 103 ALA C C 13 174.586 0.1 . 1 . . . . . . . . 5813 1 1119 . 1 1 104 104 ASN N N 15 112.127 0.1 . 1 . . . . . . . . 5813 1 1120 . 1 1 104 104 ASN H H 1 7.557 0.1 . 1 . . . . . . . . 5813 1 1121 . 1 1 104 104 ASN HA H 1 4.692 0.1 . 1 . . . . . . . . 5813 1 1122 . 1 1 104 104 ASN CB C 13 38.888 0.1 . 1 . . . . . . . . 5813 1 1123 . 1 1 104 104 ASN HB2 H 1 2.814 0.1 . 1 . . . . . . . . 5813 1 1124 . 1 1 104 104 ASN HB3 H 1 2.611 0.1 . 1 . . . . . . . . 5813 1 1125 . 1 1 104 104 ASN ND2 N 15 114.103 0.1 . 1 . . . . . . . . 5813 1 1126 . 1 1 104 104 ASN HD21 H 1 7.416 0.1 . 1 . . . . . . . . 5813 1 1127 . 1 1 104 104 ASN HD22 H 1 6.957 0.1 . 1 . . . . . . . . 5813 1 1128 . 1 1 104 104 ASN C C 13 170.039 0.1 . 1 . . . . . . . . 5813 1 1129 . 1 1 105 105 ALA N N 15 123.758 0.1 . 1 . . . . . . . . 5813 1 1130 . 1 1 105 105 ALA H H 1 8.880 0.1 . 1 . . . . . . . . 5813 1 1131 . 1 1 105 105 ALA CA C 13 47.970 0.1 . 1 . . . . . . . . 5813 1 1132 . 1 1 105 105 ALA HA H 1 4.900 0.1 . 1 . . . . . . . . 5813 1 1133 . 1 1 105 105 ALA HB1 H 1 1.054 0.1 . 1 . . . . . . . . 5813 1 1134 . 1 1 105 105 ALA HB2 H 1 1.054 0.1 . 1 . . . . . . . . 5813 1 1135 . 1 1 105 105 ALA HB3 H 1 1.054 0.1 . 1 . . . . . . . . 5813 1 1136 . 1 1 105 105 ALA CB C 13 18.220 0.1 . 1 . . . . . . . . 5813 1 1137 . 1 1 106 106 PRO CD C 13 46.717 0.1 . 1 . . . . . . . . 5813 1 1138 . 1 1 106 106 PRO CA C 13 59.557 0.1 . 1 . . . . . . . . 5813 1 1139 . 1 1 106 106 PRO HA H 1 4.383 0.1 . 1 . . . . . . . . 5813 1 1140 . 1 1 106 106 PRO CB C 13 27.928 0.1 . 1 . . . . . . . . 5813 1 1141 . 1 1 106 106 PRO HB2 H 1 1.995 0.1 . 1 . . . . . . . . 5813 1 1142 . 1 1 106 106 PRO HB3 H 1 1.861 0.1 . 1 . . . . . . . . 5813 1 1143 . 1 1 106 106 PRO CG C 13 25.110 0.1 . 1 . . . . . . . . 5813 1 1144 . 1 1 106 106 PRO HG2 H 1 1.844 0.1 . 1 . . . . . . . . 5813 1 1145 . 1 1 106 106 PRO HD2 H 1 3.818 0.1 . 1 . . . . . . . . 5813 1 1146 . 1 1 106 106 PRO HD3 H 1 3.491 0.1 . 1 . . . . . . . . 5813 1 1147 . 1 1 106 106 PRO C C 13 174.855 0.1 . 1 . . . . . . . . 5813 1 1148 . 1 1 107 107 VAL N N 15 129.311 0.1 . 1 . . . . . . . . 5813 1 1149 . 1 1 107 107 VAL H H 1 8.303 0.1 . 1 . . . . . . . . 5813 1 1150 . 1 1 107 107 VAL CA C 13 59.870 0.1 . 1 . . . . . . . . 5813 1 1151 . 1 1 107 107 VAL HA H 1 3.803 0.1 . 1 . . . . . . . . 5813 1 1152 . 1 1 107 107 VAL CB C 13 29.494 0.1 . 1 . . . . . . . . 5813 1 1153 . 1 1 107 107 VAL HB H 1 1.942 0.1 . 1 . . . . . . . . 5813 1 1154 . 1 1 107 107 VAL HG11 H 1 0.846 0.1 . 1 . . . . . . . . 5813 1 1155 . 1 1 107 107 VAL HG12 H 1 0.846 0.1 . 1 . . . . . . . . 5813 1 1156 . 1 1 107 107 VAL HG13 H 1 0.846 0.1 . 1 . . . . . . . . 5813 1 1157 . 1 1 107 107 VAL HG21 H 1 0.628 0.1 . 1 . . . . . . . . 5813 1 1158 . 1 1 107 107 VAL HG22 H 1 0.628 0.1 . 1 . . . . . . . . 5813 1 1159 . 1 1 107 107 VAL HG23 H 1 0.628 0.1 . 1 . . . . . . . . 5813 1 1160 . 1 1 107 107 VAL CG1 C 13 18.847 0.1 . 1 . . . . . . . . 5813 1 1161 . 1 1 107 107 VAL CG2 C 13 17.594 0.1 . 1 . . . . . . . . 5813 1 1162 . 1 1 107 107 VAL C C 13 172.430 0.1 . 1 . . . . . . . . 5813 1 1163 . 1 1 108 108 ASN N N 15 127.177 0.1 . 1 . . . . . . . . 5813 1 1164 . 1 1 108 108 ASN H H 1 9.075 0.1 . 1 . . . . . . . . 5813 1 1165 . 1 1 108 108 ASN CA C 13 48.596 0.1 . 1 . . . . . . . . 5813 1 1166 . 1 1 108 108 ASN HA H 1 4.763 0.1 . 1 . . . . . . . . 5813 1 1167 . 1 1 108 108 ASN CB C 13 36.383 0.1 . 1 . . . . . . . . 5813 1 1168 . 1 1 108 108 ASN HB2 H 1 3.168 0.1 . 1 . . . . . . . . 5813 1 1169 . 1 1 108 108 ASN HB3 H 1 2.455 0.1 . 1 . . . . . . . . 5813 1 1170 . 1 1 108 108 ASN ND2 N 15 112.969 0.1 . 1 . . . . . . . . 5813 1 1171 . 1 1 108 108 ASN HD21 H 1 7.680 0.1 . 1 . . . . . . . . 5813 1 1172 . 1 1 108 108 ASN HD22 H 1 6.805 0.1 . 1 . . . . . . . . 5813 1 1173 . 1 1 108 108 ASN C C 13 171.083 0.1 . 1 . . . . . . . . 5813 1 1174 . 1 1 109 109 PHE N N 15 125.053 0.1 . 1 . . . . . . . . 5813 1 1175 . 1 1 109 109 PHE H H 1 8.777 0.1 . 1 . . . . . . . . 5813 1 1176 . 1 1 109 109 PHE CA C 13 58.304 0.1 . 1 . . . . . . . . 5813 1 1177 . 1 1 109 109 PHE HA H 1 3.930 0.1 . 1 . . . . . . . . 5813 1 1178 . 1 1 109 109 PHE CB C 13 36.696 0.1 . 1 . . . . . . . . 5813 1 1179 . 1 1 109 109 PHE HB2 H 1 3.061 0.1 . 1 . . . . . . . . 5813 1 1180 . 1 1 109 109 PHE HB3 H 1 2.860 0.1 . 1 . . . . . . . . 5813 1 1181 . 1 1 109 109 PHE HD2 H 1 7.078 0.1 . 1 . . . . . . . . 5813 1 1182 . 1 1 109 109 PHE HE2 H 1 7.014 0.1 . 1 . . . . . . . . 5813 1 1183 . 1 1 109 109 PHE C C 13 173.568 0.1 . 1 . . . . . . . . 5813 1 1184 . 1 1 110 110 ALA N N 15 119.767 0.1 . 1 . . . . . . . . 5813 1 1185 . 1 1 110 110 ALA H H 1 8.117 0.1 . 1 . . . . . . . . 5813 1 1186 . 1 1 110 110 ALA CA C 13 52.041 0.1 . 1 . . . . . . . . 5813 1 1187 . 1 1 110 110 ALA HA H 1 3.596 0.1 . 1 . . . . . . . . 5813 1 1188 . 1 1 110 110 ALA HB1 H 1 1.328 0.1 . 1 . . . . . . . . 5813 1 1189 . 1 1 110 110 ALA HB2 H 1 1.328 0.1 . 1 . . . . . . . . 5813 1 1190 . 1 1 110 110 ALA HB3 H 1 1.328 0.1 . 1 . . . . . . . . 5813 1 1191 . 1 1 110 110 ALA CB C 13 15.402 0.1 . 1 . . . . . . . . 5813 1 1192 . 1 1 110 110 ALA C C 13 176.809 0.1 . 1 . . . . . . . . 5813 1 1193 . 1 1 111 111 LEU N N 15 113.098 0.1 . 1 . . . . . . . . 5813 1 1194 . 1 1 111 111 LEU H H 1 7.214 0.1 . 1 . . . . . . . . 5813 1 1195 . 1 1 111 111 LEU CA C 13 51.101 0.1 . 1 . . . . . . . . 5813 1 1196 . 1 1 111 111 LEU HA H 1 4.190 0.1 . 1 . . . . . . . . 5813 1 1197 . 1 1 111 111 LEU CB C 13 39.202 0.1 . 1 . . . . . . . . 5813 1 1198 . 1 1 111 111 LEU HB2 H 1 1.474 0.1 . 1 . . . . . . . . 5813 1 1199 . 1 1 111 111 LEU HB3 H 1 1.238 0.1 . 1 . . . . . . . . 5813 1 1200 . 1 1 111 111 LEU CG C 13 24.170 0.1 . 1 . . . . . . . . 5813 1 1201 . 1 1 111 111 LEU HG H 1 1.436 0.1 . 1 . . . . . . . . 5813 1 1202 . 1 1 111 111 LEU HD11 H 1 0.722 0.1 . 1 . . . . . . . . 5813 1 1203 . 1 1 111 111 LEU HD12 H 1 0.722 0.1 . 1 . . . . . . . . 5813 1 1204 . 1 1 111 111 LEU HD13 H 1 0.722 0.1 . 1 . . . . . . . . 5813 1 1205 . 1 1 111 111 LEU HD21 H 1 0.648 0.1 . 1 . . . . . . . . 5813 1 1206 . 1 1 111 111 LEU HD22 H 1 0.648 0.1 . 1 . . . . . . . . 5813 1 1207 . 1 1 111 111 LEU HD23 H 1 0.648 0.1 . 1 . . . . . . . . 5813 1 1208 . 1 1 111 111 LEU CD1 C 13 22.918 0.1 . 1 . . . . . . . . 5813 1 1209 . 1 1 111 111 LEU CD2 C 13 19.160 0.1 . 1 . . . . . . . . 5813 1 1210 . 1 1 111 111 LEU C C 13 174.720 0.1 . 1 . . . . . . . . 5813 1 1211 . 1 1 112 112 GLU N N 15 116.501 0.1 . 1 . . . . . . . . 5813 1 1212 . 1 1 112 112 GLU H H 1 7.709 0.1 . 1 . . . . . . . . 5813 1 1213 . 1 1 112 112 GLU CA C 13 54.546 0.1 . 1 . . . . . . . . 5813 1 1214 . 1 1 112 112 GLU HA H 1 3.306 0.1 . 1 . . . . . . . . 5813 1 1215 . 1 1 112 112 GLU CB C 13 24.170 0.1 . 1 . . . . . . . . 5813 1 1216 . 1 1 112 112 GLU HB2 H 1 2.290 0.1 . 1 . . . . . . . . 5813 1 1217 . 1 1 112 112 GLU HB3 H 1 2.193 0.1 . 1 . . . . . . . . 5813 1 1218 . 1 1 112 112 GLU CG C 13 35.131 0.1 . 1 . . . . . . . . 5813 1 1219 . 1 1 112 112 GLU HG2 H 1 1.900 0.1 . 1 . . . . . . . . 5813 1 1220 . 1 1 112 112 GLU HG3 H 1 1.745 0.1 . 1 . . . . . . . . 5813 1 1221 . 1 1 112 112 GLU C C 13 171.976 0.1 . 1 . . . . . . . . 5813 1 1222 . 1 1 113 113 THR N N 15 107.721 0.1 . 1 . . . . . . . . 5813 1 1223 . 1 1 113 113 THR H H 1 7.720 0.1 . 1 . . . . . . . . 5813 1 1224 . 1 1 113 113 THR CA C 13 56.425 0.1 . 1 . . . . . . . . 5813 1 1225 . 1 1 113 113 THR HA H 1 5.478 0.1 . 1 . . . . . . . . 5813 1 1226 . 1 1 113 113 THR CB C 13 70.517 0.1 . 1 . . . . . . . . 5813 1 1227 . 1 1 113 113 THR HB H 1 4.133 0.1 . 1 . . . . . . . . 5813 1 1228 . 1 1 113 113 THR HG21 H 1 1.101 0.1 . 1 . . . . . . . . 5813 1 1229 . 1 1 113 113 THR HG22 H 1 1.101 0.1 . 1 . . . . . . . . 5813 1 1230 . 1 1 113 113 THR HG23 H 1 1.101 0.1 . 1 . . . . . . . . 5813 1 1231 . 1 1 113 113 THR CG2 C 13 18.534 0.1 . 1 . . . . . . . . 5813 1 1232 . 1 1 113 113 THR C C 13 170.108 0.1 . 1 . . . . . . . . 5813 1 1233 . 1 1 114 114 VAL N N 15 116.668 0.1 . 1 . . . . . . . . 5813 1 1234 . 1 1 114 114 VAL H H 1 8.585 0.1 . 1 . . . . . . . . 5813 1 1235 . 1 1 114 114 VAL HA H 1 4.632 0.1 . 1 . . . . . . . . 5813 1 1236 . 1 1 114 114 VAL CB C 13 32.312 0.1 . 1 . . . . . . . . 5813 1 1237 . 1 1 114 114 VAL HB H 1 1.992 0.1 . 1 . . . . . . . . 5813 1 1238 . 1 1 114 114 VAL HG11 H 1 0.655 0.1 . 1 . . . . . . . . 5813 1 1239 . 1 1 114 114 VAL HG12 H 1 0.655 0.1 . 1 . . . . . . . . 5813 1 1240 . 1 1 114 114 VAL HG13 H 1 0.655 0.1 . 1 . . . . . . . . 5813 1 1241 . 1 1 114 114 VAL HG21 H 1 0.454 0.1 . 1 . . . . . . . . 5813 1 1242 . 1 1 114 114 VAL HG22 H 1 0.454 0.1 . 1 . . . . . . . . 5813 1 1243 . 1 1 114 114 VAL HG23 H 1 0.454 0.1 . 1 . . . . . . . . 5813 1 1244 . 1 1 114 114 VAL CG1 C 13 16.655 0.1 . 1 . . . . . . . . 5813 1 1245 . 1 1 114 114 VAL CG2 C 13 18.847 0.1 . 1 . . . . . . . . 5813 1 1246 . 1 1 114 114 VAL C C 13 169.500 0.1 . 1 . . . . . . . . 5813 1 1247 . 1 1 115 115 THR N N 15 125.469 0.1 . 1 . . . . . . . . 5813 1 1248 . 1 1 115 115 THR H H 1 7.840 0.1 . 1 . . . . . . . . 5813 1 1249 . 1 1 115 115 THR CA C 13 58.617 0.1 . 1 . . . . . . . . 5813 1 1250 . 1 1 115 115 THR HA H 1 5.110 0.1 . 1 . . . . . . . . 5813 1 1251 . 1 1 115 115 THR CB C 13 66.759 0.1 . 1 . . . . . . . . 5813 1 1252 . 1 1 115 115 THR HB H 1 3.875 0.1 . 1 . . . . . . . . 5813 1 1253 . 1 1 115 115 THR HG21 H 1 0.946 0.1 . 1 . . . . . . . . 5813 1 1254 . 1 1 115 115 THR HG22 H 1 0.946 0.1 . 1 . . . . . . . . 5813 1 1255 . 1 1 115 115 THR HG23 H 1 0.946 0.1 . 1 . . . . . . . . 5813 1 1256 . 1 1 115 115 THR CG2 C 13 18.847 0.1 . 1 . . . . . . . . 5813 1 1257 . 1 1 115 115 THR C C 13 171.015 0.1 . 1 . . . . . . . . 5813 1 1258 . 1 1 116 116 VAL N N 15 126.605 0.1 . 1 . . . . . . . . 5813 1 1259 . 1 1 116 116 VAL H H 1 9.325 0.1 . 1 . . . . . . . . 5813 1 1260 . 1 1 116 116 VAL HA H 1 4.659 0.1 . 1 . . . . . . . . 5813 1 1261 . 1 1 116 116 VAL CB C 13 31.373 0.1 . 1 . . . . . . . . 5813 1 1262 . 1 1 116 116 VAL HB H 1 2.084 0.1 . 1 . . . . . . . . 5813 1 1263 . 1 1 116 116 VAL HG11 H 1 1.037 0.1 . 1 . . . . . . . . 5813 1 1264 . 1 1 116 116 VAL HG12 H 1 1.037 0.1 . 1 . . . . . . . . 5813 1 1265 . 1 1 116 116 VAL HG13 H 1 1.037 0.1 . 1 . . . . . . . . 5813 1 1266 . 1 1 116 116 VAL HG21 H 1 0.923 0.1 . 1 . . . . . . . . 5813 1 1267 . 1 1 116 116 VAL HG22 H 1 0.923 0.1 . 1 . . . . . . . . 5813 1 1268 . 1 1 116 116 VAL HG23 H 1 0.923 0.1 . 1 . . . . . . . . 5813 1 1269 . 1 1 116 116 VAL CG1 C 13 20.412 0.1 . 1 . . . . . . . . 5813 1 1270 . 1 1 116 116 VAL CG2 C 13 20.412 0.1 . 1 . . . . . . . . 5813 1 1271 . 1 1 116 116 VAL C C 13 171.959 0.1 . 1 . . . . . . . . 5813 1 1272 . 1 1 117 117 GLU N N 15 128.582 0.1 . 1 . . . . . . . . 5813 1 1273 . 1 1 117 117 GLU H H 1 8.716 0.1 . 1 . . . . . . . . 5813 1 1274 . 1 1 117 117 GLU CA C 13 51.728 0.1 . 1 . . . . . . . . 5813 1 1275 . 1 1 117 117 GLU HA H 1 5.520 0.1 . 1 . . . . . . . . 5813 1 1276 . 1 1 117 117 GLU CB C 13 28.554 0.1 . 1 . . . . . . . . 5813 1 1277 . 1 1 117 117 GLU HB2 H 1 2.005 0.1 . 1 . . . . . . . . 5813 1 1278 . 1 1 117 117 GLU HB3 H 1 1.825 0.1 . 1 . . . . . . . . 5813 1 1279 . 1 1 117 117 GLU CG C 13 33.252 0.1 . 1 . . . . . . . . 5813 1 1280 . 1 1 117 117 GLU HG2 H 1 2.114 0.1 . 1 . . . . . . . . 5813 1 1281 . 1 1 117 117 GLU C C 13 173.272 0.1 . 1 . . . . . . . . 5813 1 1282 . 1 1 118 118 TYR N N 15 123.185 0.1 . 1 . . . . . . . . 5813 1 1283 . 1 1 118 118 TYR H H 1 9.444 0.1 . 1 . . . . . . . . 5813 1 1284 . 1 1 118 118 TYR CA C 13 52.354 0.1 . 1 . . . . . . . . 5813 1 1285 . 1 1 118 118 TYR HA H 1 5.492 0.1 . 1 . . . . . . . . 5813 1 1286 . 1 1 118 118 TYR CB C 13 39.202 0.1 . 1 . . . . . . . . 5813 1 1287 . 1 1 118 118 TYR HB2 H 1 2.753 0.1 . 1 . . . . . . . . 5813 1 1288 . 1 1 118 118 TYR HB3 H 1 2.610 0.1 . 1 . . . . . . . . 5813 1 1289 . 1 1 118 118 TYR HD2 H 1 6.723 0.1 . 1 . . . . . . . . 5813 1 1290 . 1 1 118 118 TYR HE2 H 1 6.549 0.1 . 1 . . . . . . . . 5813 1 1291 . 1 1 118 118 TYR C C 13 169.016 0.1 . 1 . . . . . . . . 5813 1 1292 . 1 1 119 119 ASN N N 15 118.226 0.1 . 1 . . . . . . . . 5813 1 1293 . 1 1 119 119 ASN H H 1 8.818 0.1 . 1 . . . . . . . . 5813 1 1294 . 1 1 119 119 ASN CA C 13 46.717 0.1 . 1 . . . . . . . . 5813 1 1295 . 1 1 119 119 ASN HA H 1 4.997 0.1 . 1 . . . . . . . . 5813 1 1296 . 1 1 119 119 ASN CB C 13 39.202 0.1 . 1 . . . . . . . . 5813 1 1297 . 1 1 119 119 ASN HB2 H 1 3.212 0.1 . 1 . . . . . . . . 5813 1 1298 . 1 1 119 119 ASN HB3 H 1 3.091 0.1 . 1 . . . . . . . . 5813 1 1299 . 1 1 119 119 ASN ND2 N 15 114.103 0.1 . 1 . . . . . . . . 5813 1 1300 . 1 1 119 119 ASN HD21 H 1 8.601 0.1 . 1 . . . . . . . . 5813 1 1301 . 1 1 119 119 ASN HD22 H 1 8.001 0.1 . 1 . . . . . . . . 5813 1 1302 . 1 1 120 120 PRO CD C 13 48.596 0.1 . 1 . . . . . . . . 5813 1 1303 . 1 1 120 120 PRO CA C 13 60.809 0.1 . 1 . . . . . . . . 5813 1 1304 . 1 1 120 120 PRO HA H 1 5.234 0.1 . 1 . . . . . . . . 5813 1 1305 . 1 1 120 120 PRO CB C 13 29.807 0.1 . 1 . . . . . . . . 5813 1 1306 . 1 1 120 120 PRO HB2 H 1 2.162 0.1 . 1 . . . . . . . . 5813 1 1307 . 1 1 120 120 PRO HB3 H 1 2.086 0.1 . 1 . . . . . . . . 5813 1 1308 . 1 1 120 120 PRO CG C 13 24.170 0.1 . 1 . . . . . . . . 5813 1 1309 . 1 1 120 120 PRO HG2 H 1 1.854 0.1 . 1 . . . . . . . . 5813 1 1310 . 1 1 120 120 PRO HD2 H 1 4.114 0.1 . 1 . . . . . . . . 5813 1 1311 . 1 1 120 120 PRO HD3 H 1 3.751 0.1 . 1 . . . . . . . . 5813 1 1312 . 1 1 120 120 PRO C C 13 172.863 0.1 . 1 . . . . . . . . 5813 1 1313 . 1 1 121 121 LYS N N 15 115.830 0.1 . 1 . . . . . . . . 5813 1 1314 . 1 1 121 121 LYS H H 1 7.723 0.1 . 1 . . . . . . . . 5813 1 1315 . 1 1 121 121 LYS CA C 13 53.293 0.1 . 1 . . . . . . . . 5813 1 1316 . 1 1 121 121 LYS HA H 1 4.242 0.1 . 1 . . . . . . . . 5813 1 1317 . 1 1 121 121 LYS CB C 13 28.554 0.1 . 1 . . . . . . . . 5813 1 1318 . 1 1 121 121 LYS HB2 H 1 1.903 0.1 . 1 . . . . . . . . 5813 1 1319 . 1 1 121 121 LYS HB3 H 1 1.792 0.1 . 1 . . . . . . . . 5813 1 1320 . 1 1 121 121 LYS CG C 13 22.605 0.1 . 1 . . . . . . . . 5813 1 1321 . 1 1 121 121 LYS HG2 H 1 1.366 0.1 . 1 . . . . . . . . 5813 1 1322 . 1 1 121 121 LYS HG3 H 1 1.258 0.1 . 1 . . . . . . . . 5813 1 1323 . 1 1 121 121 LYS CD C 13 26.049 0.1 . 1 . . . . . . . . 5813 1 1324 . 1 1 121 121 LYS HD2 H 1 1.572 0.1 . 1 . . . . . . . . 5813 1 1325 . 1 1 121 121 LYS HD3 H 1 1.483 0.1 . 1 . . . . . . . . 5813 1 1326 . 1 1 121 121 LYS C C 13 174.249 0.1 . 1 . . . . . . . . 5813 1 1327 . 1 1 122 122 GLU N N 15 116.232 0.1 . 1 . . . . . . . . 5813 1 1328 . 1 1 122 122 GLU H H 1 7.599 0.1 . 1 . . . . . . . . 5813 1 1329 . 1 1 122 122 GLU CA C 13 53.293 0.1 . 1 . . . . . . . . 5813 1 1330 . 1 1 122 122 GLU HA H 1 4.500 0.1 . 1 . . . . . . . . 5813 1 1331 . 1 1 122 122 GLU CB C 13 31.373 0.1 . 1 . . . . . . . . 5813 1 1332 . 1 1 122 122 GLU HB2 H 1 2.116 0.1 . 1 . . . . . . . . 5813 1 1333 . 1 1 122 122 GLU HB3 H 1 1.694 0.1 . 1 . . . . . . . . 5813 1 1334 . 1 1 122 122 GLU CG C 13 33.565 0.1 . 1 . . . . . . . . 5813 1 1335 . 1 1 122 122 GLU HG2 H 1 2.178 0.1 . 1 . . . . . . . . 5813 1 1336 . 1 1 122 122 GLU HG3 H 1 1.965 0.1 . 1 . . . . . . . . 5813 1 1337 . 1 1 122 122 GLU C C 13 173.474 0.1 . 1 . . . . . . . . 5813 1 1338 . 1 1 123 123 ALA N N 15 121.345 0.1 . 1 . . . . . . . . 5813 1 1339 . 1 1 123 123 ALA H H 1 8.045 0.1 . 1 . . . . . . . . 5813 1 1340 . 1 1 123 123 ALA CA C 13 48.283 0.1 . 1 . . . . . . . . 5813 1 1341 . 1 1 123 123 ALA HA H 1 4.745 0.1 . 1 . . . . . . . . 5813 1 1342 . 1 1 123 123 ALA HB1 H 1 1.219 0.1 . 1 . . . . . . . . 5813 1 1343 . 1 1 123 123 ALA HB2 H 1 1.219 0.1 . 1 . . . . . . . . 5813 1 1344 . 1 1 123 123 ALA HB3 H 1 1.219 0.1 . 1 . . . . . . . . 5813 1 1345 . 1 1 123 123 ALA CB C 13 18.847 0.1 . 1 . . . . . . . . 5813 1 1346 . 1 1 123 123 ALA C C 13 171.251 0.1 . 1 . . . . . . . . 5813 1 1347 . 1 1 124 124 SER N N 15 111.711 0.1 . 1 . . . . . . . . 5813 1 1348 . 1 1 124 124 SER H H 1 8.300 0.1 . 1 . . . . . . . . 5813 1 1349 . 1 1 124 124 SER CA C 13 52.667 0.1 . 1 . . . . . . . . 5813 1 1350 . 1 1 124 124 SER HA H 1 4.881 0.1 . 1 . . . . . . . . 5813 1 1351 . 1 1 124 124 SER CB C 13 64.880 0.1 . 1 . . . . . . . . 5813 1 1352 . 1 1 124 124 SER HB2 H 1 4.083 0.1 . 1 . . . . . . . . 5813 1 1353 . 1 1 124 124 SER HB3 H 1 3.809 0.1 . 1 . . . . . . . . 5813 1 1354 . 1 1 124 124 SER C C 13 172.565 0.1 . 1 . . . . . . . . 5813 1 1355 . 1 1 125 125 VAL N N 15 119.939 0.1 . 1 . . . . . . . . 5813 1 1356 . 1 1 125 125 VAL H H 1 8.666 0.1 . 1 . . . . . . . . 5813 1 1357 . 1 1 125 125 VAL CA C 13 64.880 0.1 . 1 . . . . . . . . 5813 1 1358 . 1 1 125 125 VAL HA H 1 3.337 0.1 . 1 . . . . . . . . 5813 1 1359 . 1 1 125 125 VAL CB C 13 28.554 0.1 . 1 . . . . . . . . 5813 1 1360 . 1 1 125 125 VAL HB H 1 2.043 0.1 . 1 . . . . . . . . 5813 1 1361 . 1 1 125 125 VAL HG11 H 1 1.043 0.1 . 1 . . . . . . . . 5813 1 1362 . 1 1 125 125 VAL HG12 H 1 1.043 0.1 . 1 . . . . . . . . 5813 1 1363 . 1 1 125 125 VAL HG13 H 1 1.043 0.1 . 1 . . . . . . . . 5813 1 1364 . 1 1 125 125 VAL HG21 H 1 1.002 0.1 . 1 . . . . . . . . 5813 1 1365 . 1 1 125 125 VAL HG22 H 1 1.002 0.1 . 1 . . . . . . . . 5813 1 1366 . 1 1 125 125 VAL HG23 H 1 1.002 0.1 . 1 . . . . . . . . 5813 1 1367 . 1 1 125 125 VAL CG1 C 13 20.412 0.1 . 1 . . . . . . . . 5813 1 1368 . 1 1 125 125 VAL CG2 C 13 18.847 0.1 . 1 . . . . . . . . 5813 1 1369 . 1 1 125 125 VAL C C 13 175.359 0.1 . 1 . . . . . . . . 5813 1 1370 . 1 1 126 126 SER N N 15 113.950 0.1 . 1 . . . . . . . . 5813 1 1371 . 1 1 126 126 SER H H 1 8.179 0.1 . 1 . . . . . . . . 5813 1 1372 . 1 1 126 126 SER CA C 13 59.557 0.1 . 1 . . . . . . . . 5813 1 1373 . 1 1 126 126 SER HA H 1 3.986 0.1 . 1 . . . . . . . . 5813 1 1374 . 1 1 126 126 SER CB C 13 59.557 0.1 . 1 . . . . . . . . 5813 1 1375 . 1 1 126 126 SER HB2 H 1 3.775 0.1 . 1 . . . . . . . . 5813 1 1376 . 1 1 126 126 SER C C 13 173.814 0.1 . 1 . . . . . . . . 5813 1 1377 . 1 1 127 127 ASP N N 15 121.070 0.1 . 1 . . . . . . . . 5813 1 1378 . 1 1 127 127 ASP H H 1 7.487 0.1 . 1 . . . . . . . . 5813 1 1379 . 1 1 127 127 ASP CA C 13 54.859 0.1 . 1 . . . . . . . . 5813 1 1380 . 1 1 127 127 ASP HA H 1 4.219 0.1 . 1 . . . . . . . . 5813 1 1381 . 1 1 127 127 ASP CB C 13 38.262 0.1 . 1 . . . . . . . . 5813 1 1382 . 1 1 127 127 ASP HB2 H 1 2.863 0.1 . 1 . . . . . . . . 5813 1 1383 . 1 1 127 127 ASP HB3 H 1 2.549 0.1 . 1 . . . . . . . . 5813 1 1384 . 1 1 127 127 ASP C C 13 176.388 0.1 . 1 . . . . . . . . 5813 1 1385 . 1 1 128 128 LEU N N 15 118.380 0.1 . 1 . . . . . . . . 5813 1 1386 . 1 1 128 128 LEU H H 1 7.347 0.1 . 1 . . . . . . . . 5813 1 1387 . 1 1 128 128 LEU CA C 13 54.859 0.1 . 1 . . . . . . . . 5813 1 1388 . 1 1 128 128 LEU HA H 1 3.536 0.1 . 1 . . . . . . . . 5813 1 1389 . 1 1 128 128 LEU CB C 13 37.636 0.1 . 1 . . . . . . . . 5813 1 1390 . 1 1 128 128 LEU HB2 H 1 1.759 0.1 . 1 . . . . . . . . 5813 1 1391 . 1 1 128 128 LEU HB3 H 1 0.696 0.1 . 1 . . . . . . . . 5813 1 1392 . 1 1 128 128 LEU CG C 13 22.605 0.1 . 1 . . . . . . . . 5813 1 1393 . 1 1 128 128 LEU HG H 1 0.349 0.1 . 1 . . . . . . . . 5813 1 1394 . 1 1 128 128 LEU HD11 H 1 0.567 0.1 . 1 . . . . . . . . 5813 1 1395 . 1 1 128 128 LEU HD12 H 1 0.567 0.1 . 1 . . . . . . . . 5813 1 1396 . 1 1 128 128 LEU HD13 H 1 0.567 0.1 . 1 . . . . . . . . 5813 1 1397 . 1 1 128 128 LEU HD21 H 1 0.388 0.1 . 1 . . . . . . . . 5813 1 1398 . 1 1 128 128 LEU HD22 H 1 0.388 0.1 . 1 . . . . . . . . 5813 1 1399 . 1 1 128 128 LEU HD23 H 1 0.388 0.1 . 1 . . . . . . . . 5813 1 1400 . 1 1 128 128 LEU CD1 C 13 21.039 0.1 . 1 . . . . . . . . 5813 1 1401 . 1 1 128 128 LEU CD2 C 13 20.099 0.1 . 1 . . . . . . . . 5813 1 1402 . 1 1 128 128 LEU C C 13 174.879 0.1 . 1 . . . . . . . . 5813 1 1403 . 1 1 129 129 LYS N N 15 115.093 0.1 . 1 . . . . . . . . 5813 1 1404 . 1 1 129 129 LYS H H 1 7.896 0.1 . 1 . . . . . . . . 5813 1 1405 . 1 1 129 129 LYS CA C 13 57.678 0.1 . 1 . . . . . . . . 5813 1 1406 . 1 1 129 129 LYS HA H 1 3.480 0.1 . 1 . . . . . . . . 5813 1 1407 . 1 1 129 129 LYS CB C 13 30.433 0.1 . 1 . . . . . . . . 5813 1 1408 . 1 1 129 129 LYS HB2 H 1 1.875 0.1 . 1 . . . . . . . . 5813 1 1409 . 1 1 129 129 LYS HB3 H 1 1.700 0.1 . 1 . . . . . . . . 5813 1 1410 . 1 1 129 129 LYS CG C 13 22.918 0.1 . 1 . . . . . . . . 5813 1 1411 . 1 1 129 129 LYS HG2 H 1 1.520 0.1 . 1 . . . . . . . . 5813 1 1412 . 1 1 129 129 LYS HG3 H 1 1.240 0.1 . 1 . . . . . . . . 5813 1 1413 . 1 1 129 129 LYS CD C 13 27.615 0.1 . 1 . . . . . . . . 5813 1 1414 . 1 1 129 129 LYS HD2 H 1 1.657 0.1 . 1 . . . . . . . . 5813 1 1415 . 1 1 129 129 LYS CE C 13 38.888 0.1 . 1 . . . . . . . . 5813 1 1416 . 1 1 129 129 LYS HE2 H 1 2.962 0.1 . 1 . . . . . . . . 5813 1 1417 . 1 1 129 129 LYS C C 13 171.218 0.1 . 1 . . . . . . . . 5813 1 1418 . 1 1 130 130 GLU N N 15 119.216 0.1 . 1 . . . . . . . . 5813 1 1419 . 1 1 130 130 GLU H H 1 8.245 0.1 . 1 . . . . . . . . 5813 1 1420 . 1 1 130 130 GLU HA H 1 4.228 0.1 . 1 . . . . . . . . 5813 1 1421 . 1 1 130 130 GLU CB C 13 26.676 0.1 . 1 . . . . . . . . 5813 1 1422 . 1 1 130 130 GLU HB2 H 1 2.038 0.1 . 1 . . . . . . . . 5813 1 1423 . 1 1 130 130 GLU HB3 H 1 1.900 0.1 . 1 . . . . . . . . 5813 1 1424 . 1 1 130 130 GLU CG C 13 33.565 0.1 . 1 . . . . . . . . 5813 1 1425 . 1 1 130 130 GLU HG2 H 1 2.320 0.1 . 1 . . . . . . . . 5813 1 1426 . 1 1 130 130 GLU HG3 H 1 2.171 0.1 . 1 . . . . . . . . 5813 1 1427 . 1 1 130 130 GLU C C 13 175.394 0.1 . 1 . . . . . . . . 5813 1 1428 . 1 1 131 131 ALA N N 15 118.512 0.1 . 1 . . . . . . . . 5813 1 1429 . 1 1 131 131 ALA H H 1 7.391 0.1 . 1 . . . . . . . . 5813 1 1430 . 1 1 131 131 ALA CA C 13 52.041 0.1 . 1 . . . . . . . . 5813 1 1431 . 1 1 131 131 ALA HA H 1 3.925 0.1 . 1 . . . . . . . . 5813 1 1432 . 1 1 131 131 ALA HB1 H 1 1.269 0.1 . 1 . . . . . . . . 5813 1 1433 . 1 1 131 131 ALA HB2 H 1 1.269 0.1 . 1 . . . . . . . . 5813 1 1434 . 1 1 131 131 ALA HB3 H 1 1.269 0.1 . 1 . . . . . . . . 5813 1 1435 . 1 1 131 131 ALA CB C 13 15.402 0.1 . 1 . . . . . . . . 5813 1 1436 . 1 1 131 131 ALA C C 13 177.550 0.1 . 1 . . . . . . . . 5813 1 1437 . 1 1 132 132 VAL N N 15 115.392 0.1 . 1 . . . . . . . . 5813 1 1438 . 1 1 132 132 VAL H H 1 7.165 0.1 . 1 . . . . . . . . 5813 1 1439 . 1 1 132 132 VAL CA C 13 63.628 0.1 . 1 . . . . . . . . 5813 1 1440 . 1 1 132 132 VAL HA H 1 3.521 0.1 . 1 . . . . . . . . 5813 1 1441 . 1 1 132 132 VAL CB C 13 29.181 0.1 . 1 . . . . . . . . 5813 1 1442 . 1 1 132 132 VAL HB H 1 1.788 0.1 . 1 . . . . . . . . 5813 1 1443 . 1 1 132 132 VAL HG11 H 1 0.773 0.1 . 1 . . . . . . . . 5813 1 1444 . 1 1 132 132 VAL HG12 H 1 0.773 0.1 . 1 . . . . . . . . 5813 1 1445 . 1 1 132 132 VAL HG13 H 1 0.773 0.1 . 1 . . . . . . . . 5813 1 1446 . 1 1 132 132 VAL HG21 H 1 0.749 0.1 . 1 . . . . . . . . 5813 1 1447 . 1 1 132 132 VAL HG22 H 1 0.749 0.1 . 1 . . . . . . . . 5813 1 1448 . 1 1 132 132 VAL HG23 H 1 0.749 0.1 . 1 . . . . . . . . 5813 1 1449 . 1 1 132 132 VAL CG1 C 13 21.978 0.1 . 1 . . . . . . . . 5813 1 1450 . 1 1 132 132 VAL CG2 C 13 20.412 0.1 . 1 . . . . . . . . 5813 1 1451 . 1 1 132 132 VAL C C 13 174.578 0.1 . 1 . . . . . . . . 5813 1 1452 . 1 1 133 133 ASP N N 15 123.608 0.1 . 1 . . . . . . . . 5813 1 1453 . 1 1 133 133 ASP H H 1 8.410 0.1 . 1 . . . . . . . . 5813 1 1454 . 1 1 133 133 ASP CA C 13 54.233 0.1 . 1 . . . . . . . . 5813 1 1455 . 1 1 133 133 ASP HA H 1 4.875 0.1 . 1 . . . . . . . . 5813 1 1456 . 1 1 133 133 ASP CB C 13 38.888 0.1 . 1 . . . . . . . . 5813 1 1457 . 1 1 133 133 ASP HB2 H 1 2.780 0.1 . 1 . . . . . . . . 5813 1 1458 . 1 1 133 133 ASP HB3 H 1 2.655 0.1 . 1 . . . . . . . . 5813 1 1459 . 1 1 133 133 ASP C C 13 178.341 0.1 . 1 . . . . . . . . 5813 1 1460 . 1 1 134 134 LYS N N 15 116.388 0.1 . 1 . . . . . . . . 5813 1 1461 . 1 1 134 134 LYS H H 1 7.574 0.1 . 1 . . . . . . . . 5813 1 1462 . 1 1 134 134 LYS HA H 1 3.953 0.1 . 1 . . . . . . . . 5813 1 1463 . 1 1 134 134 LYS CB C 13 29.494 0.1 . 1 . . . . . . . . 5813 1 1464 . 1 1 134 134 LYS HB2 H 1 1.952 0.1 . 1 . . . . . . . . 5813 1 1465 . 1 1 134 134 LYS HB3 H 1 1.796 0.1 . 1 . . . . . . . . 5813 1 1466 . 1 1 134 134 LYS CG C 13 22.918 0.1 . 1 . . . . . . . . 5813 1 1467 . 1 1 134 134 LYS HG2 H 1 1.478 0.1 . 1 . . . . . . . . 5813 1 1468 . 1 1 134 134 LYS HD2 H 1 1.598 0.1 . 1 . . . . . . . . 5813 1 1469 . 1 1 134 134 LYS C C 13 175.293 0.1 . 1 . . . . . . . . 5813 1 1470 . 1 1 135 135 LEU N N 15 116.936 0.1 . 1 . . . . . . . . 5813 1 1471 . 1 1 135 135 LEU H H 1 7.391 0.1 . 1 . . . . . . . . 5813 1 1472 . 1 1 135 135 LEU HA H 1 4.183 0.1 . 1 . . . . . . . . 5813 1 1473 . 1 1 135 135 LEU CB C 13 41.081 0.1 . 1 . . . . . . . . 5813 1 1474 . 1 1 135 135 LEU HB2 H 1 2.045 0.1 . 1 . . . . . . . . 5813 1 1475 . 1 1 135 135 LEU HB3 H 1 1.769 0.1 . 1 . . . . . . . . 5813 1 1476 . 1 1 135 135 LEU CG C 13 23.231 0.1 . 1 . . . . . . . . 5813 1 1477 . 1 1 135 135 LEU HG H 1 0.853 0.1 . 1 . . . . . . . . 5813 1 1478 . 1 1 135 135 LEU HD11 H 1 0.795 0.1 . 1 . . . . . . . . 5813 1 1479 . 1 1 135 135 LEU HD12 H 1 0.795 0.1 . 1 . . . . . . . . 5813 1 1480 . 1 1 135 135 LEU HD13 H 1 0.795 0.1 . 1 . . . . . . . . 5813 1 1481 . 1 1 135 135 LEU HD21 H 1 0.771 0.1 . 1 . . . . . . . . 5813 1 1482 . 1 1 135 135 LEU HD22 H 1 0.771 0.1 . 1 . . . . . . . . 5813 1 1483 . 1 1 135 135 LEU HD23 H 1 0.771 0.1 . 1 . . . . . . . . 5813 1 1484 . 1 1 135 135 LEU CD1 C 13 20.726 0.1 . 1 . . . . . . . . 5813 1 1485 . 1 1 135 135 LEU C C 13 173.744 0.1 . 1 . . . . . . . . 5813 1 1486 . 1 1 136 136 GLY N N 15 103.044 0.1 . 1 . . . . . . . . 5813 1 1487 . 1 1 136 136 GLY H H 1 7.623 0.1 . 1 . . . . . . . . 5813 1 1488 . 1 1 136 136 GLY CA C 13 41.707 0.1 . 1 . . . . . . . . 5813 1 1489 . 1 1 136 136 GLY HA2 H 1 3.898 0.1 . 1 . . . . . . . . 5813 1 1490 . 1 1 136 136 GLY HA3 H 1 3.503 0.1 . 1 . . . . . . . . 5813 1 1491 . 1 1 136 136 GLY C C 13 170.640 0.1 . 1 . . . . . . . . 5813 1 1492 . 1 1 137 137 TYR N N 15 118.513 0.1 . 1 . . . . . . . . 5813 1 1493 . 1 1 137 137 TYR H H 1 6.996 0.1 . 1 . . . . . . . . 5813 1 1494 . 1 1 137 137 TYR CA C 13 52.667 0.1 . 1 . . . . . . . . 5813 1 1495 . 1 1 137 137 TYR HA H 1 4.899 0.1 . 1 . . . . . . . . 5813 1 1496 . 1 1 137 137 TYR CB C 13 37.323 0.1 . 1 . . . . . . . . 5813 1 1497 . 1 1 137 137 TYR HB2 H 1 3.092 0.1 . 1 . . . . . . . . 5813 1 1498 . 1 1 137 137 TYR HB3 H 1 2.128 0.1 . 1 . . . . . . . . 5813 1 1499 . 1 1 137 137 TYR HD2 H 1 6.591 0.1 . 1 . . . . . . . . 5813 1 1500 . 1 1 137 137 TYR HE2 H 1 6.839 0.1 . 1 . . . . . . . . 5813 1 1501 . 1 1 137 137 TYR C C 13 170.611 0.1 . 1 . . . . . . . . 5813 1 1502 . 1 1 138 138 LYS N N 15 116.531 0.1 . 1 . . . . . . . . 5813 1 1503 . 1 1 138 138 LYS H H 1 8.035 0.1 . 1 . . . . . . . . 5813 1 1504 . 1 1 138 138 LYS HA H 1 4.728 0.1 . 1 . . . . . . . . 5813 1 1505 . 1 1 138 138 LYS CB C 13 33.565 0.1 . 1 . . . . . . . . 5813 1 1506 . 1 1 138 138 LYS HB2 H 1 1.600 0.1 . 1 . . . . . . . . 5813 1 1507 . 1 1 138 138 LYS HB3 H 1 1.542 0.1 . 1 . . . . . . . . 5813 1 1508 . 1 1 138 138 LYS CG C 13 21.978 0.1 . 1 . . . . . . . . 5813 1 1509 . 1 1 138 138 LYS HG2 H 1 1.280 0.1 . 1 . . . . . . . . 5813 1 1510 . 1 1 138 138 LYS HG3 H 1 1.160 0.1 . 1 . . . . . . . . 5813 1 1511 . 1 1 138 138 LYS CD C 13 26.676 0.1 . 1 . . . . . . . . 5813 1 1512 . 1 1 138 138 LYS HD2 H 1 1.566 0.1 . 1 . . . . . . . . 5813 1 1513 . 1 1 138 138 LYS HD3 H 1 1.484 0.1 . 1 . . . . . . . . 5813 1 1514 . 1 1 138 138 LYS CE C 13 39.515 0.1 . 1 . . . . . . . . 5813 1 1515 . 1 1 138 138 LYS HE2 H 1 2.822 0.1 . 1 . . . . . . . . 5813 1 1516 . 1 1 138 138 LYS C C 13 172.464 0.1 . 1 . . . . . . . . 5813 1 1517 . 1 1 139 139 LEU N N 15 123.472 0.1 . 1 . . . . . . . . 5813 1 1518 . 1 1 139 139 LEU H H 1 8.810 0.1 . 1 . . . . . . . . 5813 1 1519 . 1 1 139 139 LEU CA C 13 50.475 0.1 . 1 . . . . . . . . 5813 1 1520 . 1 1 139 139 LEU HA H 1 4.912 0.1 . 1 . . . . . . . . 5813 1 1521 . 1 1 139 139 LEU CB C 13 40.767 0.1 . 1 . . . . . . . . 5813 1 1522 . 1 1 139 139 LEU HB2 H 1 1.163 0.1 . 1 . . . . . . . . 5813 1 1523 . 1 1 139 139 LEU HB3 H 1 1.057 0.1 . 1 . . . . . . . . 5813 1 1524 . 1 1 139 139 LEU CG C 13 22.918 0.1 . 1 . . . . . . . . 5813 1 1525 . 1 1 139 139 LEU HG H 1 1.099 0.1 . 1 . . . . . . . . 5813 1 1526 . 1 1 139 139 LEU HD11 H 1 0.124 0.1 . 1 . . . . . . . . 5813 1 1527 . 1 1 139 139 LEU HD12 H 1 0.124 0.1 . 1 . . . . . . . . 5813 1 1528 . 1 1 139 139 LEU HD13 H 1 0.124 0.1 . 1 . . . . . . . . 5813 1 1529 . 1 1 139 139 LEU HD21 H 1 -0.222 0.1 . 1 . . . . . . . . 5813 1 1530 . 1 1 139 139 LEU HD22 H 1 -0.222 0.1 . 1 . . . . . . . . 5813 1 1531 . 1 1 139 139 LEU HD23 H 1 -0.222 0.1 . 1 . . . . . . . . 5813 1 1532 . 1 1 139 139 LEU CD1 C 13 21.039 0.1 . 1 . . . . . . . . 5813 1 1533 . 1 1 139 139 LEU CD2 C 13 21.039 0.1 . 1 . . . . . . . . 5813 1 1534 . 1 1 139 139 LEU C C 13 173.508 0.1 . 1 . . . . . . . . 5813 1 1535 . 1 1 140 140 LYS N N 15 122.204 0.1 . 1 . . . . . . . . 5813 1 1536 . 1 1 140 140 LYS H H 1 8.938 0.1 . 1 . . . . . . . . 5813 1 1537 . 1 1 140 140 LYS HA H 1 4.618 0.1 . 1 . . . . . . . . 5813 1 1538 . 1 1 140 140 LYS CB C 13 31.999 0.1 . 1 . . . . . . . . 5813 1 1539 . 1 1 140 140 LYS HB2 H 1 1.742 0.1 . 1 . . . . . . . . 5813 1 1540 . 1 1 140 140 LYS HB3 H 1 1.603 0.1 . 1 . . . . . . . . 5813 1 1541 . 1 1 140 140 LYS CG C 13 21.352 0.1 . 1 . . . . . . . . 5813 1 1542 . 1 1 140 140 LYS HG2 H 1 1.279 0.1 . 1 . . . . . . . . 5813 1 1543 . 1 1 140 140 LYS HG3 H 1 1.233 0.1 . 1 . . . . . . . . 5813 1 1544 . 1 1 140 140 LYS CD C 13 26.362 0.1 . 1 . . . . . . . . 5813 1 1545 . 1 1 140 140 LYS HD2 H 1 1.543 0.1 . 1 . . . . . . . . 5813 1 1546 . 1 1 140 140 LYS HE2 H 1 2.775 0.1 . 1 . . . . . . . . 5813 1 1547 . 1 1 140 140 LYS C C 13 173.137 0.1 . 1 . . . . . . . . 5813 1 1548 . 1 1 141 141 LEU N N 15 128.026 0.1 . 1 . . . . . . . . 5813 1 1549 . 1 1 141 141 LEU H H 1 9.000 0.1 . 1 . . . . . . . . 5813 1 1550 . 1 1 141 141 LEU CA C 13 52.980 0.1 . 1 . . . . . . . . 5813 1 1551 . 1 1 141 141 LEU HA H 1 4.025 0.1 . 1 . . . . . . . . 5813 1 1552 . 1 1 141 141 LEU CB C 13 39.828 0.1 . 1 . . . . . . . . 5813 1 1553 . 1 1 141 141 LEU HB2 H 1 1.584 0.1 . 1 . . . . . . . . 5813 1 1554 . 1 1 141 141 LEU HB3 H 1 1.296 0.1 . 1 . . . . . . . . 5813 1 1555 . 1 1 141 141 LEU CG C 13 24.483 0.1 . 1 . . . . . . . . 5813 1 1556 . 1 1 141 141 LEU HG H 1 1.469 0.1 . 1 . . . . . . . . 5813 1 1557 . 1 1 141 141 LEU HD11 H 1 0.612 0.1 . 1 . . . . . . . . 5813 1 1558 . 1 1 141 141 LEU HD12 H 1 0.612 0.1 . 1 . . . . . . . . 5813 1 1559 . 1 1 141 141 LEU HD13 H 1 0.612 0.1 . 1 . . . . . . . . 5813 1 1560 . 1 1 141 141 LEU HD21 H 1 0.552 0.1 . 1 . . . . . . . . 5813 1 1561 . 1 1 141 141 LEU HD22 H 1 0.552 0.1 . 1 . . . . . . . . 5813 1 1562 . 1 1 141 141 LEU HD23 H 1 0.552 0.1 . 1 . . . . . . . . 5813 1 1563 . 1 1 141 141 LEU CD1 C 13 22.918 0.1 . 1 . . . . . . . . 5813 1 1564 . 1 1 141 141 LEU CD2 C 13 21.665 0.1 . 1 . . . . . . . . 5813 1 1565 . 1 1 141 141 LEU C C 13 174.851 0.1 . 1 . . . . . . . . 5813 1 1566 . 1 1 142 142 LYS N N 15 126.455 0.1 . 1 . . . . . . . . 5813 1 1567 . 1 1 142 142 LYS H H 1 8.460 0.1 . 1 . . . . . . . . 5813 1 1568 . 1 1 142 142 LYS CA C 13 54.859 0.1 . 1 . . . . . . . . 5813 1 1569 . 1 1 142 142 LYS HA H 1 4.067 0.1 . 1 . . . . . . . . 5813 1 1570 . 1 1 142 142 LYS CB C 13 29.494 0.1 . 1 . . . . . . . . 5813 1 1571 . 1 1 142 142 LYS HB2 H 1 1.584 0.1 . 1 . . . . . . . . 5813 1 1572 . 1 1 142 142 LYS HB3 H 1 1.467 0.1 . 1 . . . . . . . . 5813 1 1573 . 1 1 142 142 LYS HG2 H 1 1.252 0.1 . 1 . . . . . . . . 5813 1 1574 . 1 1 142 142 LYS CD C 13 26.362 0.1 . 1 . . . . . . . . 5813 1 1575 . 1 1 142 142 LYS HD2 H 1 1.469 0.1 . 1 . . . . . . . . 5813 1 1576 . 1 1 142 142 LYS CE C 13 38.888 0.1 . 1 . . . . . . . . 5813 1 1577 . 1 1 142 142 LYS HE2 H 1 2.783 0.1 . 1 . . . . . . . . 5813 1 1578 . 1 1 142 142 LYS C C 13 174.947 0.1 . 1 . . . . . . . . 5813 1 1579 . 1 1 143 143 GLY N N 15 111.119 0.1 . 1 . . . . . . . . 5813 1 1580 . 1 1 143 143 GLY H H 1 8.593 0.1 . 1 . . . . . . . . 5813 1 1581 . 1 1 143 143 GLY CA C 13 42.959 0.1 . 1 . . . . . . . . 5813 1 1582 . 1 1 143 143 GLY HA2 H 1 3.963 0.1 . 1 . . . . . . . . 5813 1 1583 . 1 1 143 143 GLY HA3 H 1 3.725 0.1 . 1 . . . . . . . . 5813 1 1584 . 1 1 143 143 GLY C C 13 171.771 0.1 . 1 . . . . . . . . 5813 1 1585 . 1 1 144 144 GLU N N 15 120.206 0.1 . 1 . . . . . . . . 5813 1 1586 . 1 1 144 144 GLU H H 1 7.905 0.1 . 1 . . . . . . . . 5813 1 1587 . 1 1 144 144 GLU CA C 13 54.233 0.1 . 1 . . . . . . . . 5813 1 1588 . 1 1 144 144 GLU HA H 1 4.153 0.1 . 1 . . . . . . . . 5813 1 1589 . 1 1 144 144 GLU CB C 13 27.615 0.1 . 1 . . . . . . . . 5813 1 1590 . 1 1 144 144 GLU HB2 H 1 1.948 0.1 . 1 . . . . . . . . 5813 1 1591 . 1 1 144 144 GLU CG C 13 33.878 0.1 . 1 . . . . . . . . 5813 1 1592 . 1 1 144 144 GLU HG2 H 1 2.181 0.1 . 1 . . . . . . . . 5813 1 1593 . 1 1 144 144 GLU C C 13 173.918 0.1 . 1 . . . . . . . . 5813 1 1594 . 1 1 145 145 GLN N N 15 120.965 0.1 . 1 . . . . . . . . 5813 1 1595 . 1 1 145 145 GLN H H 1 8.477 0.1 . 1 . . . . . . . . 5813 1 1596 . 1 1 145 145 GLN CA C 13 52.980 0.1 . 1 . . . . . . . . 5813 1 1597 . 1 1 145 145 GLN HA H 1 4.261 0.1 . 1 . . . . . . . . 5813 1 1598 . 1 1 145 145 GLN CB C 13 26.676 0.1 . 1 . . . . . . . . 5813 1 1599 . 1 1 145 145 GLN HB2 H 1 2.022 0.1 . 1 . . . . . . . . 5813 1 1600 . 1 1 145 145 GLN HB3 H 1 1.880 0.1 . 1 . . . . . . . . 5813 1 1601 . 1 1 145 145 GLN CG C 13 30.747 0.1 . 1 . . . . . . . . 5813 1 1602 . 1 1 145 145 GLN HG2 H 1 2.272 0.1 . 1 . . . . . . . . 5813 1 1603 . 1 1 145 145 GLN NE2 N 15 112.261 0.1 . 1 . . . . . . . . 5813 1 1604 . 1 1 145 145 GLN HE21 H 1 7.477 0.1 . 1 . . . . . . . . 5813 1 1605 . 1 1 145 145 GLN HE22 H 1 6.791 0.1 . 1 . . . . . . . . 5813 1 1606 . 1 1 145 145 GLN C C 13 172.992 0.1 . 1 . . . . . . . . 5813 1 1607 . 1 1 146 146 ASP N N 15 121.220 0.1 . 1 . . . . . . . . 5813 1 1608 . 1 1 146 146 ASP H H 1 8.301 0.1 . 1 . . . . . . . . 5813 1 1609 . 1 1 146 146 ASP CA C 13 52.041 0.1 . 1 . . . . . . . . 5813 1 1610 . 1 1 146 146 ASP HA H 1 4.481 0.1 . 1 . . . . . . . . 5813 1 1611 . 1 1 146 146 ASP CB C 13 38.262 0.1 . 1 . . . . . . . . 5813 1 1612 . 1 1 146 146 ASP HB2 H 1 2.580 0.1 . 1 . . . . . . . . 5813 1 1613 . 1 1 146 146 ASP HB3 H 1 2.498 0.1 . 1 . . . . . . . . 5813 1 1614 . 1 1 146 146 ASP C C 13 173.512 0.1 . 1 . . . . . . . . 5813 1 1615 . 1 1 147 147 SER N N 15 115.408 0.1 . 1 . . . . . . . . 5813 1 1616 . 1 1 147 147 SER H H 1 8.155 0.1 . 1 . . . . . . . . 5813 1 1617 . 1 1 147 147 SER HA H 1 4.359 0.1 . 1 . . . . . . . . 5813 1 1618 . 1 1 147 147 SER CB C 13 61.122 0.1 . 1 . . . . . . . . 5813 1 1619 . 1 1 147 147 SER HB2 H 1 3.757 0.1 . 1 . . . . . . . . 5813 1 1620 . 1 1 147 147 SER C C 13 171.925 0.1 . 1 . . . . . . . . 5813 1 1621 . 1 1 148 148 ILE N N 15 122.077 0.1 . 1 . . . . . . . . 5813 1 1622 . 1 1 148 148 ILE H H 1 8.118 0.1 . 1 . . . . . . . . 5813 1 1623 . 1 1 148 148 ILE HA H 1 4.081 0.1 . 1 . . . . . . . . 5813 1 1624 . 1 1 148 148 ILE HB H 1 1.779 0.1 . 1 . . . . . . . . 5813 1 1625 . 1 1 148 148 ILE HG21 H 1 0.791 0.1 . 1 . . . . . . . . 5813 1 1626 . 1 1 148 148 ILE HG22 H 1 0.791 0.1 . 1 . . . . . . . . 5813 1 1627 . 1 1 148 148 ILE HG23 H 1 0.791 0.1 . 1 . . . . . . . . 5813 1 1628 . 1 1 148 148 ILE HG12 H 1 1.328 0.1 . 1 . . . . . . . . 5813 1 1629 . 1 1 148 148 ILE HG13 H 1 1.079 0.1 . 1 . . . . . . . . 5813 1 1630 . 1 1 148 148 ILE HD11 H 1 0.760 0.1 . 1 . . . . . . . . 5813 1 1631 . 1 1 148 148 ILE HD12 H 1 0.760 0.1 . 1 . . . . . . . . 5813 1 1632 . 1 1 148 148 ILE HD13 H 1 0.760 0.1 . 1 . . . . . . . . 5813 1 1633 . 1 1 148 148 ILE C C 13 173.676 0.1 . 1 . . . . . . . . 5813 1 1634 . 1 1 149 149 GLU N N 15 123.642 0.1 . 1 . . . . . . . . 5813 1 1635 . 1 1 149 149 GLU H H 1 8.344 0.1 . 1 . . . . . . . . 5813 1 1636 . 1 1 149 149 GLU HA H 1 4.140 0.1 . 1 . . . . . . . . 5813 1 1637 . 1 1 149 149 GLU HB2 H 1 1.926 0.1 . 1 . . . . . . . . 5813 1 1638 . 1 1 149 149 GLU HB3 H 1 1.819 0.1 . 1 . . . . . . . . 5813 1 1639 . 1 1 149 149 GLU HG2 H 1 2.153 0.1 . 1 . . . . . . . . 5813 1 1640 . 1 1 149 149 GLU C C 13 174.519 0.1 . 1 . . . . . . . . 5813 1 1641 . 1 1 150 150 GLY N N 15 109.969 0.1 . 1 . . . . . . . . 5813 1 1642 . 1 1 150 150 GLY H H 1 8.329 0.1 . 1 . . . . . . . . 5813 1 1643 . 1 1 150 150 GLY HA2 H 1 3.821 0.1 . 1 . . . . . . . . 5813 1 1644 . 1 1 150 150 GLY C C 13 170.645 0.1 . 1 . . . . . . . . 5813 1 1645 . 1 1 151 151 ARG N N 15 125.173 0.1 . 1 . . . . . . . . 5813 1 1646 . 1 1 151 151 ARG H H 1 7.640 0.1 . 1 . . . . . . . . 5813 1 1647 . 1 1 151 151 ARG HA H 1 4.100 0.1 . 1 . . . . . . . . 5813 1 1648 . 1 1 151 151 ARG HB2 H 1 1.755 0.1 . 1 . . . . . . . . 5813 1 1649 . 1 1 151 151 ARG HB3 H 1 1.598 0.1 . 1 . . . . . . . . 5813 1 1650 . 1 1 151 151 ARG HG2 H 1 1.64 0.1 . 1 . . . . . . . . 5813 1 1651 . 1 1 151 151 ARG HG3 H 1 1.75 0.1 . 1 . . . . . . . . 5813 1 1652 . 1 1 151 151 ARG HD2 H 1 3.06 0.1 . 1 . . . . . . . . 5813 1 1653 . 1 1 151 151 ARG HD3 H 1 1.635 0.1 . 1 . . . . . . . . 5813 1 1654 . 1 1 151 151 ARG CG C 13 24.52 0.1 . 1 . . . . . . . . 5813 1 1655 . 1 1 151 151 ARG CD C 13 40.69 0.1 . 1 . . . . . . . . 5813 1 stop_ save_