data_18856 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18856 _Entry.Title ; HADDOCK structure of GtYybT PAS Homodimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-25 _Entry.Accession_date 2012-11-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Zhao-xun Liang . X. . 18856 2 Konstantin Pervushin . . . 18856 3 Edward Tan . . . 18856 4 Feng Rao . . . 18856 5 Swathi Pasunooti . . . 18856 6 Ishin Soehano . . . 18856 7 Julien Lescar . . . 18856 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18856 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ligand binding' . 18856 'PAS domain' . 18856 YybT . 18856 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18856 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 498 18856 '15N chemical shifts' 122 18856 '1H chemical shifts' 865 18856 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 . . 2014-02-17 2012-11-25 update BMRB 'update entry citation' 18856 1 . . 2013-03-25 2012-11-25 original author 'original release' 18856 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M1C 'BMRB Entry Tracking System' 18856 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18856 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23504327 _Citation.Full_citation . _Citation.Title 'Solution structure of the PAS domain of a thermophilic YybT protein homolog reveals a potential ligand-binding site.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 288 _Citation.Journal_issue 17 _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 11949 _Citation.Page_last 11959 _Citation.Year 2013 _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 Edward Tan . . . 18856 1 2 Feng Rao . . . 18856 1 3 Swathi Pasunooti . . . 18856 1 4 'Thi Huong' Pham . . . 18856 1 5 Ishin Soehano . . . 18856 1 6 Mark Turner . S. . 18856 1 7 'Chong Wai' Liew . . . 18856 1 8 Julien Lescar . . . 18856 1 9 Konstantin Pervushin . . . 18856 1 10 Zhao-Xun Liang . . . 18856 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18856 _Assembly.ID 1 _Assembly.Name 'GtYybT PAS Homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PAS domain of DHH subfamily 1 protein_1' 1 $PAS_domain_of_DHH_subfamily_1_protein A . yes native no no . . . 18856 1 2 'PAS domain of DHH subfamily 1 protein_2' 1 $PAS_domain_of_DHH_subfamily_1_protein B . yes native no no . . . 18856 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PAS_domain_of_DHH_subfamily_1_protein _Entity.Sf_category entity _Entity.Sf_framecode PAS_domain_of_DHH_subfamily_1_protein _Entity.Entry_ID 18856 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PAS_domain_of_DHH_subfamily_1_protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RGSHMRSLHKELQQYISNLS YRVKKVSEEALMQMPIGILL LDEEDKIEWSNRFLAACFKE QTLIGRSLAELSEPLAAFVK KGKTDEEIIELNGKQLKVIV HRHERLLYFFDVT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13209.449 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2M1C . "Haddock Structure Of Gtyybt Pas Homodimer" . . . . . 100.00 113 100.00 100.00 1.95e-75 . . . . 18856 1 2 no GB ABO68756 . "DHH subfamily 1 protein [Geobacillus thermodenitrificans NG80-2]" . . . . . 95.58 658 100.00 100.00 5.90e-66 . . . . 18856 1 3 no GB EDY05509 . "diguanylate cyclase and phosphoesterase [Geobacillus sp. G11MC16]" . . . . . 95.58 658 100.00 100.00 6.15e-66 . . . . 18856 1 4 no GB KQB91469 . "putative protein YybT [Geobacillus sp. PA-3]" . . . . . 95.58 658 100.00 100.00 5.66e-66 . . . . 18856 1 5 no REF WP_008880810 . "hypothetical protein [Geobacillus sp. G11MC16]" . . . . . 95.58 658 100.00 100.00 6.15e-66 . . . . 18856 1 6 no REF WP_011888454 . "hypothetical protein [Geobacillus thermodenitrificans]" . . . . . 95.58 658 100.00 100.00 5.90e-66 . . . . 18856 1 7 no REF WP_029761080 . "hypothetical protein [Geobacillus thermodenitrificans]" . . . . . 95.58 658 100.00 100.00 5.66e-66 . . . . 18856 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 49 ARG . 18856 1 2 50 GLY . 18856 1 3 51 SER . 18856 1 4 52 HIS . 18856 1 5 53 MET . 18856 1 6 54 ARG . 18856 1 7 55 SER . 18856 1 8 56 LEU . 18856 1 9 57 HIS . 18856 1 10 58 LYS . 18856 1 11 59 GLU . 18856 1 12 60 LEU . 18856 1 13 61 GLN . 18856 1 14 62 GLN . 18856 1 15 63 TYR . 18856 1 16 64 ILE . 18856 1 17 65 SER . 18856 1 18 66 ASN . 18856 1 19 67 LEU . 18856 1 20 68 SER . 18856 1 21 69 TYR . 18856 1 22 70 ARG . 18856 1 23 71 VAL . 18856 1 24 72 LYS . 18856 1 25 73 LYS . 18856 1 26 74 VAL . 18856 1 27 75 SER . 18856 1 28 76 GLU . 18856 1 29 77 GLU . 18856 1 30 78 ALA . 18856 1 31 79 LEU . 18856 1 32 80 MET . 18856 1 33 81 GLN . 18856 1 34 82 MET . 18856 1 35 83 PRO . 18856 1 36 84 ILE . 18856 1 37 85 GLY . 18856 1 38 86 ILE . 18856 1 39 87 LEU . 18856 1 40 88 LEU . 18856 1 41 89 LEU . 18856 1 42 90 ASP . 18856 1 43 91 GLU . 18856 1 44 92 GLU . 18856 1 45 93 ASP . 18856 1 46 94 LYS . 18856 1 47 95 ILE . 18856 1 48 96 GLU . 18856 1 49 97 TRP . 18856 1 50 98 SER . 18856 1 51 99 ASN . 18856 1 52 100 ARG . 18856 1 53 101 PHE . 18856 1 54 102 LEU . 18856 1 55 103 ALA . 18856 1 56 104 ALA . 18856 1 57 105 CYS . 18856 1 58 106 PHE . 18856 1 59 107 LYS . 18856 1 60 108 GLU . 18856 1 61 109 GLN . 18856 1 62 110 THR . 18856 1 63 111 LEU . 18856 1 64 112 ILE . 18856 1 65 113 GLY . 18856 1 66 114 ARG . 18856 1 67 115 SER . 18856 1 68 116 LEU . 18856 1 69 117 ALA . 18856 1 70 118 GLU . 18856 1 71 119 LEU . 18856 1 72 120 SER . 18856 1 73 121 GLU . 18856 1 74 122 PRO . 18856 1 75 123 LEU . 18856 1 76 124 ALA . 18856 1 77 125 ALA . 18856 1 78 126 PHE . 18856 1 79 127 VAL . 18856 1 80 128 LYS . 18856 1 81 129 LYS . 18856 1 82 130 GLY . 18856 1 83 131 LYS . 18856 1 84 132 THR . 18856 1 85 133 ASP . 18856 1 86 134 GLU . 18856 1 87 135 GLU . 18856 1 88 136 ILE . 18856 1 89 137 ILE . 18856 1 90 138 GLU . 18856 1 91 139 LEU . 18856 1 92 140 ASN . 18856 1 93 141 GLY . 18856 1 94 142 LYS . 18856 1 95 143 GLN . 18856 1 96 144 LEU . 18856 1 97 145 LYS . 18856 1 98 146 VAL . 18856 1 99 147 ILE . 18856 1 100 148 VAL . 18856 1 101 149 HIS . 18856 1 102 150 ARG . 18856 1 103 151 HIS . 18856 1 104 152 GLU . 18856 1 105 153 ARG . 18856 1 106 154 LEU . 18856 1 107 155 LEU . 18856 1 108 156 TYR . 18856 1 109 157 PHE . 18856 1 110 158 PHE . 18856 1 111 159 ASP . 18856 1 112 160 VAL . 18856 1 113 161 THR . 18856 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 . ARG 1 1 18856 1 . GLY 2 2 18856 1 . SER 3 3 18856 1 . HIS 4 4 18856 1 . MET 5 5 18856 1 . ARG 6 6 18856 1 . SER 7 7 18856 1 . LEU 8 8 18856 1 . HIS 9 9 18856 1 . LYS 10 10 18856 1 . GLU 11 11 18856 1 . LEU 12 12 18856 1 . GLN 13 13 18856 1 . GLN 14 14 18856 1 . TYR 15 15 18856 1 . ILE 16 16 18856 1 . SER 17 17 18856 1 . ASN 18 18 18856 1 . LEU 19 19 18856 1 . SER 20 20 18856 1 . TYR 21 21 18856 1 . ARG 22 22 18856 1 . VAL 23 23 18856 1 . LYS 24 24 18856 1 . LYS 25 25 18856 1 . VAL 26 26 18856 1 . SER 27 27 18856 1 . GLU 28 28 18856 1 . GLU 29 29 18856 1 . ALA 30 30 18856 1 . LEU 31 31 18856 1 . MET 32 32 18856 1 . GLN 33 33 18856 1 . MET 34 34 18856 1 . PRO 35 35 18856 1 . ILE 36 36 18856 1 . GLY 37 37 18856 1 . ILE 38 38 18856 1 . LEU 39 39 18856 1 . LEU 40 40 18856 1 . LEU 41 41 18856 1 . ASP 42 42 18856 1 . GLU 43 43 18856 1 . GLU 44 44 18856 1 . ASP 45 45 18856 1 . LYS 46 46 18856 1 . ILE 47 47 18856 1 . GLU 48 48 18856 1 . TRP 49 49 18856 1 . SER 50 50 18856 1 . ASN 51 51 18856 1 . ARG 52 52 18856 1 . PHE 53 53 18856 1 . LEU 54 54 18856 1 . ALA 55 55 18856 1 . ALA 56 56 18856 1 . CYS 57 57 18856 1 . PHE 58 58 18856 1 . LYS 59 59 18856 1 . GLU 60 60 18856 1 . GLN 61 61 18856 1 . THR 62 62 18856 1 . LEU 63 63 18856 1 . ILE 64 64 18856 1 . GLY 65 65 18856 1 . ARG 66 66 18856 1 . SER 67 67 18856 1 . LEU 68 68 18856 1 . ALA 69 69 18856 1 . GLU 70 70 18856 1 . LEU 71 71 18856 1 . SER 72 72 18856 1 . GLU 73 73 18856 1 . PRO 74 74 18856 1 . LEU 75 75 18856 1 . ALA 76 76 18856 1 . ALA 77 77 18856 1 . PHE 78 78 18856 1 . VAL 79 79 18856 1 . LYS 80 80 18856 1 . LYS 81 81 18856 1 . GLY 82 82 18856 1 . LYS 83 83 18856 1 . THR 84 84 18856 1 . ASP 85 85 18856 1 . GLU 86 86 18856 1 . GLU 87 87 18856 1 . ILE 88 88 18856 1 . ILE 89 89 18856 1 . GLU 90 90 18856 1 . LEU 91 91 18856 1 . ASN 92 92 18856 1 . GLY 93 93 18856 1 . LYS 94 94 18856 1 . GLN 95 95 18856 1 . LEU 96 96 18856 1 . LYS 97 97 18856 1 . VAL 98 98 18856 1 . ILE 99 99 18856 1 . VAL 100 100 18856 1 . HIS 101 101 18856 1 . ARG 102 102 18856 1 . HIS 103 103 18856 1 . GLU 104 104 18856 1 . ARG 105 105 18856 1 . LEU 106 106 18856 1 . LEU 107 107 18856 1 . TYR 108 108 18856 1 . PHE 109 109 18856 1 . PHE 110 110 18856 1 . ASP 111 111 18856 1 . VAL 112 112 18856 1 . THR 113 113 18856 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 18856 _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 $PAS_domain_of_DHH_subfamily_1_protein . 33940 organism . 'Geobacillus thermodenitrificans NG80-2' 'Geobacillus thermodenitrificans' . . Bacteria . Geobacillus thermodenitrificans . . . . . . . . . . . . . . . . 'DHH subfamily 1' . . . . 18856 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 18856 _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 $PAS_domain_of_DHH_subfamily_1_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET26 . . . . . . 18856 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 18856 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM phosphate buffer NA; 95% H2O, 5% D2O, pH 6.5, 200mM NaCl, 1x protease inhibitor' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PAS domain of DHH subfamily 1 protein' '[U-99% 13C; U-99% 15N]' . . 1 $PAS_domain_of_DHH_subfamily_1_protein . . 0.7 . . mM . . . . 18856 1 2 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 18856 1 3 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 18856 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18856 _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' 250 . mM 18856 1 pH 6.2 . pH 18856 1 pressure 1 . atm 18856 1 temperature 298 . K 18856 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18856 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 18856 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18856 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 18856 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '600, 700' save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18856 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker 'AVANCE II' . '600, 700' . 1 $citations 18856 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 18856 _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_15N_TROSY-HSQC no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 18856 1 2 2D_13C_HMQC no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 18856 1 3 3D_HNCA no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 18856 1 4 3D_HN(CO)CA no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 18856 1 5 3D_HNCO no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 18856 1 6 3D_HN(CA)CO no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 18856 1 7 3D_CBCA(CO)NH no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 18856 1 8 3D_HN(CA)CB no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 18856 1 9 3D_15N-separated_NOESY no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 18856 1 10 3D_13C-separated_NOESY no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 18856 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18856 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $CNS _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_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18856 _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 DSS 'methyl protons' . . . . ppm 0 . indirect 0.251449530 . . . . . . . . . 18856 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 18856 1 N 15 DSS 'methyl protons' . . . . ppm 0 . indirect 0.101329118 . . . . . . . . . 18856 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18856 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 2D_15N_TROSY-HSQC . . . 18856 1 2 2D_13C_HMQC . . . 18856 1 3 3D_HNCA . . . 18856 1 4 3D_HN(CO)CA . . . 18856 1 5 3D_HNCO . . . 18856 1 6 3D_HN(CA)CO . . . 18856 1 7 3D_CBCA(CO)NH . . . 18856 1 8 3D_HN(CA)CB . . . 18856 1 9 3D_15N-separated_NOESY . . . 18856 1 10 3D_13C-separated_NOESY . . . 18856 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 GLY HA2 H 1 3.743 0.02 . . . . . A 50 GLY HA2 . 18856 1 2 . 1 1 2 2 GLY HA3 H 1 3.743 0.02 . . . . . A 50 GLY QA . 18856 1 3 . 1 1 2 2 GLY CA C 13 43.203 0.3 . . . . . A 50 GLY CA . 18856 1 4 . 1 1 3 3 SER HA H 1 4.427 0.02 . . . . . A 51 SER HA . 18856 1 5 . 1 1 3 3 SER HB2 H 1 3.527 0.02 . . . . . A 51 SER HB2 . 18856 1 6 . 1 1 3 3 SER HB3 H 1 3.439 0.02 . . . . . A 51 SER HB3 . 18856 1 7 . 1 1 3 3 SER C C 13 175.03 0.3 . . . . . A 51 SER C . 18856 1 8 . 1 1 3 3 SER CB C 13 65.024 0.3 . . . . . A 51 SER CB . 18856 1 9 . 1 1 4 4 HIS H H 1 8.498 0.02 . . . . . A 52 HIS H . 18856 1 10 . 1 1 4 4 HIS HA H 1 4.305 0.02 . . . . . A 52 HIS HA . 18856 1 11 . 1 1 4 4 HIS HB2 H 1 3.179 0.02 . . . . . A 52 HIS HB2 . 18856 1 12 . 1 1 4 4 HIS HB3 H 1 3.079 0.02 . . . . . A 52 HIS HB3 . 18856 1 13 . 1 1 4 4 HIS HD2 H 1 6.897 0.02 . . . . . A 52 HIS HD2 . 18856 1 14 . 1 1 4 4 HIS HE1 H 1 8.004 0.02 . . . . . A 52 HIS HE1 . 18856 1 15 . 1 1 4 4 HIS C C 13 176.938 0.3 . . . . . A 52 HIS C . 18856 1 16 . 1 1 4 4 HIS CA C 13 57.753 0.3 . . . . . A 52 HIS CA . 18856 1 17 . 1 1 4 4 HIS CB C 13 28.572 0.3 . . . . . A 52 HIS CB . 18856 1 18 . 1 1 4 4 HIS CE1 C 13 134.851 0.3 . . . . . A 52 HIS CE1 . 18856 1 19 . 1 1 4 4 HIS N N 15 125.056 0.3 . . . . . A 52 HIS N . 18856 1 20 . 1 1 5 5 MET H H 1 8.226 0.02 . . . . . A 53 MET H . 18856 1 21 . 1 1 5 5 MET HA H 1 4.286 0.02 . . . . . A 53 MET HA . 18856 1 22 . 1 1 5 5 MET HB2 H 1 2.348 0.02 . . . . . A 53 MET HB2 . 18856 1 23 . 1 1 5 5 MET HB3 H 1 2.348 0.02 . . . . . A 53 MET QB . 18856 1 24 . 1 1 5 5 MET HG2 H 1 1.901 0.02 . . . . . A 53 MET HG2 . 18856 1 25 . 1 1 5 5 MET HG3 H 1 1.901 0.02 . . . . . A 53 MET QG . 18856 1 26 . 1 1 5 5 MET HE1 H 1 1.67 0.02 . . . . . A 53 MET HE1 . 18856 1 27 . 1 1 5 5 MET HE2 H 1 1.67 0.02 . . . . . A 53 MET HE2 . 18856 1 28 . 1 1 5 5 MET HE3 H 1 1.67 0.02 . . . . . A 53 MET HE3 . 18856 1 29 . 1 1 5 5 MET C C 13 174.822 0.3 . . . . . A 53 MET C . 18856 1 30 . 1 1 5 5 MET CA C 13 55.758 0.3 . . . . . A 53 MET CA . 18856 1 31 . 1 1 5 5 MET CB C 13 31.84 0.3 . . . . . A 53 MET CB . 18856 1 32 . 1 1 5 5 MET CG C 13 32.08 0.3 . . . . . A 53 MET CG . 18856 1 33 . 1 1 5 5 MET CE C 13 17.167 0.3 . . . . . A 53 MET CE . 18856 1 34 . 1 1 5 5 MET N N 15 116.484 0.3 . . . . . A 53 MET N . 18856 1 35 . 1 1 6 6 ARG H H 1 8.349 0.02 . . . . . A 54 ARG H . 18856 1 36 . 1 1 6 6 ARG HA H 1 4.234 0.02 . . . . . A 54 ARG HA . 18856 1 37 . 1 1 6 6 ARG HB2 H 1 1.848 0.02 . . . . . A 54 ARG HB2 . 18856 1 38 . 1 1 6 6 ARG HB3 H 1 1.758 0.02 . . . . . A 54 ARG HB3 . 18856 1 39 . 1 1 6 6 ARG HG2 H 1 1.57 0.02 . . . . . A 54 ARG HG2 . 18856 1 40 . 1 1 6 6 ARG HG3 H 1 1.57 0.02 . . . . . A 54 ARG QG . 18856 1 41 . 1 1 6 6 ARG HD2 H 1 3.074 0.02 . . . . . A 54 ARG HD2 . 18856 1 42 . 1 1 6 6 ARG HD3 H 1 3.074 0.02 . . . . . A 54 ARG QD . 18856 1 43 . 1 1 6 6 ARG C C 13 174.282 0.3 . . . . . A 54 ARG C . 18856 1 44 . 1 1 6 6 ARG CA C 13 57.079 0.3 . . . . . A 54 ARG CA . 18856 1 45 . 1 1 6 6 ARG CB C 13 30.277 0.3 . . . . . A 54 ARG CB . 18856 1 46 . 1 1 6 6 ARG CG C 13 26.849 0.3 . . . . . A 54 ARG CG . 18856 1 47 . 1 1 6 6 ARG N N 15 121.322 0.3 . . . . . A 54 ARG N . 18856 1 48 . 1 1 7 7 SER H H 1 8.28 0.02 . . . . . A 55 SER H . 18856 1 49 . 1 1 7 7 SER HA H 1 4.441 0.02 . . . . . A 55 SER HA . 18856 1 50 . 1 1 7 7 SER HB2 H 1 3.851 0.02 . . . . . A 55 SER HB2 . 18856 1 51 . 1 1 7 7 SER HB3 H 1 3.851 0.02 . . . . . A 55 SER QB . 18856 1 52 . 1 1 7 7 SER C C 13 174.716 0.3 . . . . . A 55 SER C . 18856 1 53 . 1 1 7 7 SER CA C 13 59.553 0.3 . . . . . A 55 SER CA . 18856 1 54 . 1 1 7 7 SER CB C 13 62.792 0.3 . . . . . A 55 SER CB . 18856 1 55 . 1 1 7 7 SER N N 15 116.143 0.3 . . . . . A 55 SER N . 18856 1 56 . 1 1 8 8 LEU H H 1 8.155 0.02 . . . . . A 56 LEU H . 18856 1 57 . 1 1 8 8 LEU HA H 1 3.96 0.02 . . . . . A 56 LEU HA . 18856 1 58 . 1 1 8 8 LEU HB2 H 1 1.246 0.02 . . . . . A 56 LEU HB2 . 18856 1 59 . 1 1 8 8 LEU HB3 H 1 1.246 0.02 . . . . . A 56 LEU QB . 18856 1 60 . 1 1 8 8 LEU HG H 1 0.744 0.02 . . . . . A 56 LEU HG . 18856 1 61 . 1 1 8 8 LEU HD11 H 1 0.045 0.02 . . . . . A 56 LEU HD11 . 18856 1 62 . 1 1 8 8 LEU HD12 H 1 0.045 0.02 . . . . . A 56 LEU HD12 . 18856 1 63 . 1 1 8 8 LEU HD13 H 1 0.045 0.02 . . . . . A 56 LEU HD13 . 18856 1 64 . 1 1 8 8 LEU HD21 H 1 -0.181 0.02 . . . . . A 56 LEU HD21 . 18856 1 65 . 1 1 8 8 LEU HD22 H 1 -0.181 0.02 . . . . . A 56 LEU HD22 . 18856 1 66 . 1 1 8 8 LEU HD23 H 1 -0.181 0.02 . . . . . A 56 LEU HD23 . 18856 1 67 . 1 1 8 8 LEU C C 13 177.095 0.3 . . . . . A 56 LEU C . 18856 1 68 . 1 1 8 8 LEU CA C 13 55.997 0.3 . . . . . A 56 LEU CA . 18856 1 69 . 1 1 8 8 LEU CB C 13 41.818 0.3 . . . . . A 56 LEU CB . 18856 1 70 . 1 1 8 8 LEU CD1 C 13 23.395 0.3 . . . . . A 56 LEU CD1 . 18856 1 71 . 1 1 8 8 LEU CD2 C 13 23.724 0.3 . . . . . A 56 LEU CD2 . 18856 1 72 . 1 1 8 8 LEU N N 15 121.161 0.3 . . . . . A 56 LEU N . 18856 1 73 . 1 1 9 9 HIS H H 1 7.698 0.02 . . . . . A 57 HIS H . 18856 1 74 . 1 1 9 9 HIS HA H 1 4.145 0.02 . . . . . A 57 HIS HA . 18856 1 75 . 1 1 9 9 HIS HB2 H 1 3.015 0.02 . . . . . A 57 HIS HB2 . 18856 1 76 . 1 1 9 9 HIS HB3 H 1 3.015 0.02 . . . . . A 57 HIS QB . 18856 1 77 . 1 1 9 9 HIS HD2 H 1 6.751 0.02 . . . . . A 57 HIS HD2 . 18856 1 78 . 1 1 9 9 HIS HE1 H 1 8.182 0.02 . . . . . A 57 HIS HE1 . 18856 1 79 . 1 1 9 9 HIS C C 13 172.709 0.3 . . . . . A 57 HIS C . 18856 1 80 . 1 1 9 9 HIS CA C 13 57.696 0.3 . . . . . A 57 HIS CA . 18856 1 81 . 1 1 9 9 HIS CB C 13 39.435 0.3 . . . . . A 57 HIS CB . 18856 1 82 . 1 1 9 9 HIS CD2 C 13 115.778 0.3 . . . . . A 57 HIS CD2 . 18856 1 83 . 1 1 9 9 HIS CE1 C 13 135.269 0.3 . . . . . A 57 HIS CE1 . 18856 1 84 . 1 1 9 9 HIS N N 15 118.884 0.3 . . . . . A 57 HIS N . 18856 1 85 . 1 1 10 10 LYS H H 1 8.056 0.02 . . . . . A 58 LYS H . 18856 1 86 . 1 1 10 10 LYS HA H 1 4.378 0.02 . . . . . A 58 LYS HA . 18856 1 87 . 1 1 10 10 LYS HB2 H 1 1.84 0.02 . . . . . A 58 LYS HB2 . 18856 1 88 . 1 1 10 10 LYS HB3 H 1 1.84 0.02 . . . . . A 58 LYS QB . 18856 1 89 . 1 1 10 10 LYS HG2 H 1 1.199 0.02 . . . . . A 58 LYS HG2 . 18856 1 90 . 1 1 10 10 LYS HG3 H 1 1.199 0.02 . . . . . A 58 LYS QG . 18856 1 91 . 1 1 10 10 LYS HE2 H 1 2.731 0.02 . . . . . A 58 LYS HE2 . 18856 1 92 . 1 1 10 10 LYS HE3 H 1 2.731 0.02 . . . . . A 58 LYS QE . 18856 1 93 . 1 1 10 10 LYS C C 13 173.89 0.3 . . . . . A 58 LYS C . 18856 1 94 . 1 1 10 10 LYS CA C 13 60.623 0.3 . . . . . A 58 LYS CA . 18856 1 95 . 1 1 10 10 LYS CB C 13 39.035 0.3 . . . . . A 58 LYS CB . 18856 1 96 . 1 1 10 10 LYS CG C 13 24.135 0.3 . . . . . A 58 LYS CG . 18856 1 97 . 1 1 10 10 LYS N N 15 120.881 0.3 . . . . . A 58 LYS N . 18856 1 98 . 1 1 11 11 GLU H H 1 7.751 0.02 . . . . . A 59 GLU H . 18856 1 99 . 1 1 11 11 GLU HA H 1 3.899 0.02 . . . . . A 59 GLU HA . 18856 1 100 . 1 1 11 11 GLU HB2 H 1 1.841 0.02 . . . . . A 59 GLU HB2 . 18856 1 101 . 1 1 11 11 GLU HB3 H 1 1.723 0.02 . . . . . A 59 GLU HB3 . 18856 1 102 . 1 1 11 11 GLU HG2 H 1 1.305 0.02 . . . . . A 59 GLU HG2 . 18856 1 103 . 1 1 11 11 GLU HG3 H 1 1.22 0.02 . . . . . A 59 GLU HG3 . 18856 1 104 . 1 1 11 11 GLU C C 13 173.07 0.3 . . . . . A 59 GLU C . 18856 1 105 . 1 1 11 11 GLU CA C 13 58.79 0.3 . . . . . A 59 GLU CA . 18856 1 106 . 1 1 11 11 GLU CB C 13 31.855 0.3 . . . . . A 59 GLU CB . 18856 1 107 . 1 1 11 11 GLU N N 15 121.154 0.3 . . . . . A 59 GLU N . 18856 1 108 . 1 1 12 12 LEU H H 1 7.678 0.02 . . . . . A 60 LEU H . 18856 1 109 . 1 1 12 12 LEU HA H 1 3.741 0.02 . . . . . A 60 LEU HA . 18856 1 110 . 1 1 12 12 LEU HB2 H 1 1.479 0.02 . . . . . A 60 LEU HB2 . 18856 1 111 . 1 1 12 12 LEU HB3 H 1 1.026 0.02 . . . . . A 60 LEU HB3 . 18856 1 112 . 1 1 12 12 LEU HG H 1 1.001 0.02 . . . . . A 60 LEU HG . 18856 1 113 . 1 1 12 12 LEU HD11 H 1 0.5 0.02 . . . . . A 60 LEU HD11 . 18856 1 114 . 1 1 12 12 LEU HD12 H 1 0.5 0.02 . . . . . A 60 LEU HD12 . 18856 1 115 . 1 1 12 12 LEU HD13 H 1 0.5 0.02 . . . . . A 60 LEU HD13 . 18856 1 116 . 1 1 12 12 LEU HD21 H 1 0.43 0.02 . . . . . A 60 LEU HD21 . 18856 1 117 . 1 1 12 12 LEU HD22 H 1 0.43 0.02 . . . . . A 60 LEU HD22 . 18856 1 118 . 1 1 12 12 LEU HD23 H 1 0.43 0.02 . . . . . A 60 LEU HD23 . 18856 1 119 . 1 1 12 12 LEU C C 13 173.459 0.3 . . . . . A 60 LEU C . 18856 1 120 . 1 1 12 12 LEU CA C 13 57.566 0.3 . . . . . A 60 LEU CA . 18856 1 121 . 1 1 12 12 LEU CB C 13 41.827 0.3 . . . . . A 60 LEU CB . 18856 1 122 . 1 1 12 12 LEU CG C 13 26.218 0.3 . . . . . A 60 LEU CG . 18856 1 123 . 1 1 12 12 LEU CD1 C 13 23.081 0.3 . . . . . A 60 LEU CD1 . 18856 1 124 . 1 1 12 12 LEU CD2 C 13 24.646 0.3 . . . . . A 60 LEU CD2 . 18856 1 125 . 1 1 12 12 LEU N N 15 118.394 0.3 . . . . . A 60 LEU N . 18856 1 126 . 1 1 13 13 GLN H H 1 8.255 0.02 . . . . . A 61 GLN H . 18856 1 127 . 1 1 13 13 GLN HA H 1 3.98 0.02 . . . . . A 61 GLN HA . 18856 1 128 . 1 1 13 13 GLN HB2 H 1 1.964 0.02 . . . . . A 61 GLN HB2 . 18856 1 129 . 1 1 13 13 GLN HB3 H 1 1.964 0.02 . . . . . A 61 GLN QB . 18856 1 130 . 1 1 13 13 GLN HG2 H 1 2.215 0.02 . . . . . A 61 GLN HG2 . 18856 1 131 . 1 1 13 13 GLN HG3 H 1 2.148 0.02 . . . . . A 61 GLN HG3 . 18856 1 132 . 1 1 13 13 GLN HE21 H 1 7.438 0.02 . . . . . A 61 GLN HE21 . 18856 1 133 . 1 1 13 13 GLN HE22 H 1 6.794 0.02 . . . . . A 61 GLN HE22 . 18856 1 134 . 1 1 13 13 GLN C C 13 172.372 0.3 . . . . . A 61 GLN C . 18856 1 135 . 1 1 13 13 GLN CA C 13 58.873 0.3 . . . . . A 61 GLN CA . 18856 1 136 . 1 1 13 13 GLN CB C 13 28.095 0.3 . . . . . A 61 GLN CB . 18856 1 137 . 1 1 13 13 GLN CG C 13 33.435 0.3 . . . . . A 61 GLN CG . 18856 1 138 . 1 1 13 13 GLN N N 15 117.901 0.3 . . . . . A 61 GLN N . 18856 1 139 . 1 1 13 13 GLN NE2 N 15 112.41 0.3 . . . . . A 61 GLN NE2 . 18856 1 140 . 1 1 14 14 GLN H H 1 8.368 0.02 . . . . . A 62 GLN H . 18856 1 141 . 1 1 14 14 GLN HA H 1 3.931 0.02 . . . . . A 62 GLN HA . 18856 1 142 . 1 1 14 14 GLN HB2 H 1 2.211 0.02 . . . . . A 62 GLN HB2 . 18856 1 143 . 1 1 14 14 GLN HB3 H 1 2.123 0.02 . . . . . A 62 GLN HB3 . 18856 1 144 . 1 1 14 14 GLN HG2 H 1 2.464 0.02 . . . . . A 62 GLN HG2 . 18856 1 145 . 1 1 14 14 GLN HG3 H 1 2.381 0.02 . . . . . A 62 GLN HG3 . 18856 1 146 . 1 1 14 14 GLN HE21 H 1 7.481 0.02 . . . . . A 62 GLN HE21 . 18856 1 147 . 1 1 14 14 GLN HE22 H 1 6.874 0.02 . . . . . A 62 GLN HE22 . 18856 1 148 . 1 1 14 14 GLN C C 13 173.698 0.3 . . . . . A 62 GLN C . 18856 1 149 . 1 1 14 14 GLN CA C 13 58.753 0.3 . . . . . A 62 GLN CA . 18856 1 150 . 1 1 14 14 GLN CB C 13 28.087 0.3 . . . . . A 62 GLN CB . 18856 1 151 . 1 1 14 14 GLN CG C 13 33.956 0.3 . . . . . A 62 GLN CG . 18856 1 152 . 1 1 14 14 GLN N N 15 119.649 0.3 . . . . . A 62 GLN N . 18856 1 153 . 1 1 14 14 GLN NE2 N 15 112.403 0.3 . . . . . A 62 GLN NE2 . 18856 1 154 . 1 1 15 15 TYR H H 1 7.709 0.02 . . . . . A 63 TYR H . 18856 1 155 . 1 1 15 15 TYR HA H 1 3.861 0.02 . . . . . A 63 TYR HA . 18856 1 156 . 1 1 15 15 TYR HB2 H 1 3.504 0.02 . . . . . A 63 TYR HB2 . 18856 1 157 . 1 1 15 15 TYR HB3 H 1 3.026 0.02 . . . . . A 63 TYR HB3 . 18856 1 158 . 1 1 15 15 TYR HD2 H 1 6.92 0.02 . . . . . A 63 TYR HD2 . 18856 1 159 . 1 1 15 15 TYR HE2 H 1 6.526 0.02 . . . . . A 63 TYR HE2 . 18856 1 160 . 1 1 15 15 TYR C C 13 173.015 0.3 . . . . . A 63 TYR C . 18856 1 161 . 1 1 15 15 TYR CA C 13 61.045 0.3 . . . . . A 63 TYR CA . 18856 1 162 . 1 1 15 15 TYR CB C 13 38.089 0.3 . . . . . A 63 TYR CB . 18856 1 163 . 1 1 15 15 TYR CD2 C 13 130.157 0.3 . . . . . A 63 TYR CD2 . 18856 1 164 . 1 1 15 15 TYR CE2 C 13 115.162 0.3 . . . . . A 63 TYR CE2 . 18856 1 165 . 1 1 15 15 TYR N N 15 121.542 0.3 . . . . . A 63 TYR N . 18856 1 166 . 1 1 16 16 ILE H H 1 8.069 0.02 . . . . . A 64 ILE H . 18856 1 167 . 1 1 16 16 ILE HA H 1 3.726 0.02 . . . . . A 64 ILE HA . 18856 1 168 . 1 1 16 16 ILE HB H 1 1.683 0.02 . . . . . A 64 ILE HB . 18856 1 169 . 1 1 16 16 ILE HG12 H 1 1.495 0.02 . . . . . A 64 ILE HG12 . 18856 1 170 . 1 1 16 16 ILE HG13 H 1 1.495 0.02 . . . . . A 64 ILE QG1 . 18856 1 171 . 1 1 16 16 ILE HG21 H 1 0.694 0.02 . . . . . A 64 ILE HG21 . 18856 1 172 . 1 1 16 16 ILE HG22 H 1 0.694 0.02 . . . . . A 64 ILE HG22 . 18856 1 173 . 1 1 16 16 ILE HG23 H 1 0.694 0.02 . . . . . A 64 ILE HG23 . 18856 1 174 . 1 1 16 16 ILE HD11 H 1 0.496 0.02 . . . . . A 64 ILE HD11 . 18856 1 175 . 1 1 16 16 ILE HD12 H 1 0.496 0.02 . . . . . A 64 ILE HD12 . 18856 1 176 . 1 1 16 16 ILE HD13 H 1 0.496 0.02 . . . . . A 64 ILE HD13 . 18856 1 177 . 1 1 16 16 ILE C C 13 173.624 0.3 . . . . . A 64 ILE C . 18856 1 178 . 1 1 16 16 ILE CA C 13 61.881 0.3 . . . . . A 64 ILE CA . 18856 1 179 . 1 1 16 16 ILE CB C 13 37.454 0.3 . . . . . A 64 ILE CB . 18856 1 180 . 1 1 16 16 ILE CG1 C 13 28.49 0.3 . . . . . A 64 ILE CG1 . 18856 1 181 . 1 1 16 16 ILE CG2 C 13 17.463 0.3 . . . . . A 64 ILE CG2 . 18856 1 182 . 1 1 16 16 ILE CD1 C 13 13.41 0.3 . . . . . A 64 ILE CD1 . 18856 1 183 . 1 1 16 16 ILE N N 15 112.417 0.3 . . . . . A 64 ILE N . 18856 1 184 . 1 1 17 17 SER H H 1 7.678 0.02 . . . . . A 65 SER H . 18856 1 185 . 1 1 17 17 SER HA H 1 4.355 0.02 . . . . . A 65 SER HA . 18856 1 186 . 1 1 17 17 SER HB2 H 1 3.095 0.02 . . . . . A 65 SER HB2 . 18856 1 187 . 1 1 17 17 SER HB3 H 1 3.095 0.02 . . . . . A 65 SER QB . 18856 1 188 . 1 1 17 17 SER C C 13 172.984 0.3 . . . . . A 65 SER C . 18856 1 189 . 1 1 17 17 SER CA C 13 57.994 0.3 . . . . . A 65 SER CA . 18856 1 190 . 1 1 17 17 SER CB C 13 68.024 0.3 . . . . . A 65 SER CB . 18856 1 191 . 1 1 17 17 SER N N 15 119.775 0.3 . . . . . A 65 SER N . 18856 1 192 . 1 1 18 18 ASN H H 1 8.316 0.02 . . . . . A 66 ASN H . 18856 1 193 . 1 1 18 18 ASN HA H 1 4.046 0.02 . . . . . A 66 ASN HA . 18856 1 194 . 1 1 18 18 ASN HB2 H 1 2.966 0.02 . . . . . A 66 ASN HB2 . 18856 1 195 . 1 1 18 18 ASN HB3 H 1 2.911 0.02 . . . . . A 66 ASN HB3 . 18856 1 196 . 1 1 18 18 ASN HD21 H 1 7.908 0.02 . . . . . A 66 ASN HD21 . 18856 1 197 . 1 1 18 18 ASN HD22 H 1 7.044 0.02 . . . . . A 66 ASN HD22 . 18856 1 198 . 1 1 18 18 ASN C C 13 174.252 0.3 . . . . . A 66 ASN C . 18856 1 199 . 1 1 18 18 ASN CA C 13 59.436 0.3 . . . . . A 66 ASN CA . 18856 1 200 . 1 1 18 18 ASN CB C 13 38.394 0.3 . . . . . A 66 ASN CB . 18856 1 201 . 1 1 18 18 ASN N N 15 117.674 0.3 . . . . . A 66 ASN N . 18856 1 202 . 1 1 18 18 ASN ND2 N 15 112.755 0.3 . . . . . A 66 ASN ND2 . 18856 1 203 . 1 1 19 19 LEU H H 1 8.186 0.02 . . . . . A 67 LEU H . 18856 1 204 . 1 1 19 19 LEU HA H 1 3.874 0.02 . . . . . A 67 LEU HA . 18856 1 205 . 1 1 19 19 LEU HB2 H 1 1.658 0.02 . . . . . A 67 LEU HB2 . 18856 1 206 . 1 1 19 19 LEU HB3 H 1 1.658 0.02 . . . . . A 67 LEU QB . 18856 1 207 . 1 1 19 19 LEU HD11 H 1 0.335 0.02 . . . . . A 67 LEU HD11 . 18856 1 208 . 1 1 19 19 LEU HD12 H 1 0.335 0.02 . . . . . A 67 LEU HD12 . 18856 1 209 . 1 1 19 19 LEU HD13 H 1 0.335 0.02 . . . . . A 67 LEU HD13 . 18856 1 210 . 1 1 19 19 LEU HD21 H 1 -0.236 0.02 . . . . . A 67 LEU HD21 . 18856 1 211 . 1 1 19 19 LEU HD22 H 1 -0.236 0.02 . . . . . A 67 LEU HD22 . 18856 1 212 . 1 1 19 19 LEU HD23 H 1 -0.236 0.02 . . . . . A 67 LEU HD23 . 18856 1 213 . 1 1 19 19 LEU C C 13 173.749 0.3 . . . . . A 67 LEU C . 18856 1 214 . 1 1 19 19 LEU CA C 13 55.994 0.3 . . . . . A 67 LEU CA . 18856 1 215 . 1 1 19 19 LEU CB C 13 42.326 0.3 . . . . . A 67 LEU CB . 18856 1 216 . 1 1 19 19 LEU CD1 C 13 25.28 0.3 . . . . . A 67 LEU CD1 . 18856 1 217 . 1 1 19 19 LEU CD2 C 13 20.902 0.3 . . . . . A 67 LEU CD2 . 18856 1 218 . 1 1 19 19 LEU N N 15 120.897 0.3 . . . . . A 67 LEU N . 18856 1 219 . 1 1 20 20 SER H H 1 7.815 0.02 . . . . . A 68 SER H . 18856 1 220 . 1 1 20 20 SER HA H 1 3.821 0.02 . . . . . A 68 SER HA . 18856 1 221 . 1 1 20 20 SER HB2 H 1 3.229 0.02 . . . . . A 68 SER HB2 . 18856 1 222 . 1 1 20 20 SER HB3 H 1 3.229 0.02 . . . . . A 68 SER QB . 18856 1 223 . 1 1 20 20 SER C C 13 172.589 0.3 . . . . . A 68 SER C . 18856 1 224 . 1 1 20 20 SER CA C 13 59.259 0.3 . . . . . A 68 SER CA . 18856 1 225 . 1 1 20 20 SER CB C 13 64.953 0.3 . . . . . A 68 SER CB . 18856 1 226 . 1 1 20 20 SER N N 15 120.2 0.3 . . . . . A 68 SER N . 18856 1 227 . 1 1 21 21 TYR H H 1 8.478 0.02 . . . . . A 69 TYR H . 18856 1 228 . 1 1 21 21 TYR HA H 1 3.996 0.02 . . . . . A 69 TYR HA . 18856 1 229 . 1 1 21 21 TYR HB2 H 1 3.228 0.02 . . . . . A 69 TYR HB2 . 18856 1 230 . 1 1 21 21 TYR HB3 H 1 2.876 0.02 . . . . . A 69 TYR HB3 . 18856 1 231 . 1 1 21 21 TYR HD1 H 1 6.682 0.02 . . . . . A 69 TYR HD1 . 18856 1 232 . 1 1 21 21 TYR HE1 H 1 6.865 0.02 . . . . . A 69 TYR HE1 . 18856 1 233 . 1 1 21 21 TYR C C 13 173.032 0.3 . . . . . A 69 TYR C . 18856 1 234 . 1 1 21 21 TYR CA C 13 61.872 0.3 . . . . . A 69 TYR CA . 18856 1 235 . 1 1 21 21 TYR CB C 13 37.464 0.3 . . . . . A 69 TYR CB . 18856 1 236 . 1 1 21 21 TYR CD1 C 13 125.781 0.3 . . . . . A 69 TYR CD1 . 18856 1 237 . 1 1 21 21 TYR CE1 C 13 115.376 0.3 . . . . . A 69 TYR CE1 . 18856 1 238 . 1 1 21 21 TYR N N 15 117.648 0.3 . . . . . A 69 TYR N . 18856 1 239 . 1 1 22 22 ARG H H 1 7.506 0.02 . . . . . A 70 ARG H . 18856 1 240 . 1 1 22 22 ARG HA H 1 3.84 0.02 . . . . . A 70 ARG HA . 18856 1 241 . 1 1 22 22 ARG HB2 H 1 1.816 0.02 . . . . . A 70 ARG HB2 . 18856 1 242 . 1 1 22 22 ARG HB3 H 1 1.816 0.02 . . . . . A 70 ARG QB . 18856 1 243 . 1 1 22 22 ARG HG2 H 1 1.529 0.02 . . . . . A 70 ARG HG2 . 18856 1 244 . 1 1 22 22 ARG HG3 H 1 1.529 0.02 . . . . . A 70 ARG QG . 18856 1 245 . 1 1 22 22 ARG HD2 H 1 1.729 0.02 . . . . . A 70 ARG HD2 . 18856 1 246 . 1 1 22 22 ARG HD3 H 1 1.729 0.02 . . . . . A 70 ARG QD . 18856 1 247 . 1 1 22 22 ARG HE H 1 7.182 0.02 . . . . . A 70 ARG HE . 18856 1 248 . 1 1 22 22 ARG C C 13 174.164 0.3 . . . . . A 70 ARG C . 18856 1 249 . 1 1 22 22 ARG CA C 13 64.15 0.3 . . . . . A 70 ARG CA . 18856 1 250 . 1 1 22 22 ARG CB C 13 31.209 0.3 . . . . . A 70 ARG CB . 18856 1 251 . 1 1 22 22 ARG N N 15 117.406 0.3 . . . . . A 70 ARG N . 18856 1 252 . 1 1 22 22 ARG NE N 15 83.674 0.3 . . . . . A 70 ARG NE . 18856 1 253 . 1 1 23 23 VAL H H 1 7.946 0.02 . . . . . A 71 VAL H . 18856 1 254 . 1 1 23 23 VAL HA H 1 4.03 0.02 . . . . . A 71 VAL HA . 18856 1 255 . 1 1 23 23 VAL HB H 1 1.944 0.02 . . . . . A 71 VAL HB . 18856 1 256 . 1 1 23 23 VAL HG11 H 1 0.83 0.02 . . . . . A 71 VAL HG11 . 18856 1 257 . 1 1 23 23 VAL HG12 H 1 0.83 0.02 . . . . . A 71 VAL HG12 . 18856 1 258 . 1 1 23 23 VAL HG13 H 1 0.83 0.02 . . . . . A 71 VAL HG13 . 18856 1 259 . 1 1 23 23 VAL HG21 H 1 0.713 0.02 . . . . . A 71 VAL HG21 . 18856 1 260 . 1 1 23 23 VAL HG22 H 1 0.713 0.02 . . . . . A 71 VAL HG22 . 18856 1 261 . 1 1 23 23 VAL HG23 H 1 0.713 0.02 . . . . . A 71 VAL HG23 . 18856 1 262 . 1 1 23 23 VAL C C 13 173.794 0.3 . . . . . A 71 VAL C . 18856 1 263 . 1 1 23 23 VAL CA C 13 59.833 0.3 . . . . . A 71 VAL CA . 18856 1 264 . 1 1 23 23 VAL CB C 13 31.231 0.3 . . . . . A 71 VAL CB . 18856 1 265 . 1 1 23 23 VAL CG1 C 13 21.837 0.3 . . . . . A 71 VAL CG1 . 18856 1 266 . 1 1 23 23 VAL CG2 C 13 20.94 0.3 . . . . . A 71 VAL CG2 . 18856 1 267 . 1 1 23 23 VAL N N 15 116.493 0.3 . . . . . A 71 VAL N . 18856 1 268 . 1 1 24 24 LYS H H 1 8.299 0.02 . . . . . A 72 LYS H . 18856 1 269 . 1 1 24 24 LYS HA H 1 4.309 0.02 . . . . . A 72 LYS HA . 18856 1 270 . 1 1 24 24 LYS HB2 H 1 1.669 0.02 . . . . . A 72 LYS HB2 . 18856 1 271 . 1 1 24 24 LYS HB3 H 1 1.669 0.02 . . . . . A 72 LYS QB . 18856 1 272 . 1 1 24 24 LYS HG2 H 1 1.562 0.02 . . . . . A 72 LYS HG2 . 18856 1 273 . 1 1 24 24 LYS HG3 H 1 1.562 0.02 . . . . . A 72 LYS QG . 18856 1 274 . 1 1 24 24 LYS HE2 H 1 3.075 0.02 . . . . . A 72 LYS HE2 . 18856 1 275 . 1 1 24 24 LYS HE3 H 1 3.075 0.02 . . . . . A 72 LYS QE . 18856 1 276 . 1 1 24 24 LYS C C 13 174.819 0.3 . . . . . A 72 LYS C . 18856 1 277 . 1 1 24 24 LYS CA C 13 55.259 0.3 . . . . . A 72 LYS CA . 18856 1 278 . 1 1 24 24 LYS CB C 13 33.096 0.3 . . . . . A 72 LYS CB . 18856 1 279 . 1 1 24 24 LYS CG C 13 25.586 0.3 . . . . . A 72 LYS CG . 18856 1 280 . 1 1 24 24 LYS N N 15 119.695 0.3 . . . . . A 72 LYS N . 18856 1 281 . 1 1 25 25 LYS H H 1 9.147 0.02 . . . . . A 73 LYS H . 18856 1 282 . 1 1 25 25 LYS HA H 1 4.846 0.02 . . . . . A 73 LYS HA . 18856 1 283 . 1 1 25 25 LYS HB2 H 1 1.534 0.02 . . . . . A 73 LYS HB2 . 18856 1 284 . 1 1 25 25 LYS HB3 H 1 1.534 0.02 . . . . . A 73 LYS QB . 18856 1 285 . 1 1 25 25 LYS HG2 H 1 1.207 0.02 . . . . . A 73 LYS HG2 . 18856 1 286 . 1 1 25 25 LYS HG3 H 1 1.207 0.02 . . . . . A 73 LYS QG . 18856 1 287 . 1 1 25 25 LYS HD2 H 1 1.684 0.02 . . . . . A 73 LYS HD2 . 18856 1 288 . 1 1 25 25 LYS HD3 H 1 1.684 0.02 . . . . . A 73 LYS QD . 18856 1 289 . 1 1 25 25 LYS HE2 H 1 2.426 0.02 . . . . . A 73 LYS HE2 . 18856 1 290 . 1 1 25 25 LYS HE3 H 1 2.426 0.02 . . . . . A 73 LYS QE . 18856 1 291 . 1 1 25 25 LYS C C 13 171.875 0.3 . . . . . A 73 LYS C . 18856 1 292 . 1 1 25 25 LYS CA C 13 60.911 0.3 . . . . . A 73 LYS CA . 18856 1 293 . 1 1 25 25 LYS CB C 13 29.155 0.3 . . . . . A 73 LYS CB . 18856 1 294 . 1 1 25 25 LYS CG C 13 24.964 0.3 . . . . . A 73 LYS CG . 18856 1 295 . 1 1 25 25 LYS N N 15 123.424 0.3 . . . . . A 73 LYS N . 18856 1 296 . 1 1 26 26 VAL H H 1 7.77 0.02 . . . . . A 74 VAL H . 18856 1 297 . 1 1 26 26 VAL HA H 1 4.116 0.02 . . . . . A 74 VAL HA . 18856 1 298 . 1 1 26 26 VAL HB H 1 1.739 0.02 . . . . . A 74 VAL HB . 18856 1 299 . 1 1 26 26 VAL HG11 H 1 0.844 0.02 . . . . . A 74 VAL HG11 . 18856 1 300 . 1 1 26 26 VAL HG12 H 1 0.844 0.02 . . . . . A 74 VAL HG12 . 18856 1 301 . 1 1 26 26 VAL HG13 H 1 0.844 0.02 . . . . . A 74 VAL HG13 . 18856 1 302 . 1 1 26 26 VAL HG21 H 1 0.727 0.02 . . . . . A 74 VAL HG21 . 18856 1 303 . 1 1 26 26 VAL HG22 H 1 0.727 0.02 . . . . . A 74 VAL HG22 . 18856 1 304 . 1 1 26 26 VAL HG23 H 1 0.727 0.02 . . . . . A 74 VAL HG23 . 18856 1 305 . 1 1 26 26 VAL C C 13 173.612 0.3 . . . . . A 74 VAL C . 18856 1 306 . 1 1 26 26 VAL CA C 13 57.425 0.3 . . . . . A 74 VAL CA . 18856 1 307 . 1 1 26 26 VAL CB C 13 31.844 0.3 . . . . . A 74 VAL CB . 18856 1 308 . 1 1 26 26 VAL CG1 C 13 21.837 0.3 . . . . . A 74 VAL CG1 . 18856 1 309 . 1 1 26 26 VAL CG2 C 13 20.899 0.3 . . . . . A 74 VAL CG2 . 18856 1 310 . 1 1 26 26 VAL N N 15 121.871 0.3 . . . . . A 74 VAL N . 18856 1 311 . 1 1 27 27 SER H H 1 8.122 0.02 . . . . . A 75 SER H . 18856 1 312 . 1 1 27 27 SER HA H 1 3.849 0.02 . . . . . A 75 SER HA . 18856 1 313 . 1 1 27 27 SER HB2 H 1 3.118 0.02 . . . . . A 75 SER HB2 . 18856 1 314 . 1 1 27 27 SER HB3 H 1 3.118 0.02 . . . . . A 75 SER QB . 18856 1 315 . 1 1 27 27 SER C C 13 176.27 0.3 . . . . . A 75 SER C . 18856 1 316 . 1 1 27 27 SER CA C 13 64.966 0.3 . . . . . A 75 SER CA . 18856 1 317 . 1 1 27 27 SER CB C 13 64.269 0.3 . . . . . A 75 SER CB . 18856 1 318 . 1 1 27 27 SER N N 15 116.891 0.3 . . . . . A 75 SER N . 18856 1 319 . 1 1 28 28 GLU H H 1 7.933 0.02 . . . . . A 76 GLU H . 18856 1 320 . 1 1 28 28 GLU HA H 1 4.062 0.02 . . . . . A 76 GLU HA . 18856 1 321 . 1 1 28 28 GLU HB2 H 1 1.956 0.02 . . . . . A 76 GLU HB2 . 18856 1 322 . 1 1 28 28 GLU HB3 H 1 1.956 0.02 . . . . . A 76 GLU QB . 18856 1 323 . 1 1 28 28 GLU HG2 H 1 2.219 0.02 . . . . . A 76 GLU HG2 . 18856 1 324 . 1 1 28 28 GLU HG3 H 1 2.16 0.02 . . . . . A 76 GLU HG3 . 18856 1 325 . 1 1 28 28 GLU C C 13 173.825 0.3 . . . . . A 76 GLU C . 18856 1 326 . 1 1 28 28 GLU CA C 13 57.59 0.3 . . . . . A 76 GLU CA . 18856 1 327 . 1 1 28 28 GLU CB C 13 29.706 0.3 . . . . . A 76 GLU CB . 18856 1 328 . 1 1 28 28 GLU CG C 13 35.896 0.3 . . . . . A 76 GLU CG . 18856 1 329 . 1 1 28 28 GLU N N 15 121.522 0.3 . . . . . A 76 GLU N . 18856 1 330 . 1 1 29 29 GLU H H 1 7.859 0.02 . . . . . A 77 GLU H . 18856 1 331 . 1 1 29 29 GLU HA H 1 4.086 0.02 . . . . . A 77 GLU HA . 18856 1 332 . 1 1 29 29 GLU HB2 H 1 1.984 0.02 . . . . . A 77 GLU HB2 . 18856 1 333 . 1 1 29 29 GLU HB3 H 1 1.984 0.02 . . . . . A 77 GLU QB . 18856 1 334 . 1 1 29 29 GLU HG2 H 1 2.146 0.02 . . . . . A 77 GLU HG2 . 18856 1 335 . 1 1 29 29 GLU HG3 H 1 2.146 0.02 . . . . . A 77 GLU QG . 18856 1 336 . 1 1 29 29 GLU C C 13 174.508 0.3 . . . . . A 77 GLU C . 18856 1 337 . 1 1 29 29 GLU CA C 13 57.49 0.3 . . . . . A 77 GLU CA . 18856 1 338 . 1 1 29 29 GLU CB C 13 29.34 0.3 . . . . . A 77 GLU CB . 18856 1 339 . 1 1 29 29 GLU CG C 13 36.211 0.3 . . . . . A 77 GLU CG . 18856 1 340 . 1 1 29 29 GLU N N 15 119.811 0.3 . . . . . A 77 GLU N . 18856 1 341 . 1 1 30 30 ALA H H 1 8.205 0.02 . . . . . A 78 ALA H . 18856 1 342 . 1 1 30 30 ALA HA H 1 4.179 0.02 . . . . . A 78 ALA HA . 18856 1 343 . 1 1 30 30 ALA HB1 H 1 1.238 0.02 . . . . . A 78 ALA HB1 . 18856 1 344 . 1 1 30 30 ALA HB2 H 1 1.238 0.02 . . . . . A 78 ALA HB2 . 18856 1 345 . 1 1 30 30 ALA HB3 H 1 1.238 0.02 . . . . . A 78 ALA HB3 . 18856 1 346 . 1 1 30 30 ALA C C 13 173.519 0.3 . . . . . A 78 ALA C . 18856 1 347 . 1 1 30 30 ALA CA C 13 52.664 0.3 . . . . . A 78 ALA CA . 18856 1 348 . 1 1 30 30 ALA CB C 13 18.387 0.3 . . . . . A 78 ALA CB . 18856 1 349 . 1 1 30 30 ALA N N 15 124.707 0.3 . . . . . A 78 ALA N . 18856 1 350 . 1 1 31 31 LEU H H 1 7.779 0.02 . . . . . A 79 LEU H . 18856 1 351 . 1 1 31 31 LEU HA H 1 4.211 0.02 . . . . . A 79 LEU HA . 18856 1 352 . 1 1 31 31 LEU HB2 H 1 1.668 0.02 . . . . . A 79 LEU HB2 . 18856 1 353 . 1 1 31 31 LEU HB3 H 1 1.536 0.02 . . . . . A 79 LEU HB3 . 18856 1 354 . 1 1 31 31 LEU HG H 1 1.216 0.02 . . . . . A 79 LEU HG . 18856 1 355 . 1 1 31 31 LEU HD11 H 1 0.748 0.02 . . . . . A 79 LEU HD11 . 18856 1 356 . 1 1 31 31 LEU HD12 H 1 0.748 0.02 . . . . . A 79 LEU HD12 . 18856 1 357 . 1 1 31 31 LEU HD13 H 1 0.748 0.02 . . . . . A 79 LEU HD13 . 18856 1 358 . 1 1 31 31 LEU HD21 H 1 0.728 0.02 . . . . . A 79 LEU HD21 . 18856 1 359 . 1 1 31 31 LEU HD22 H 1 0.728 0.02 . . . . . A 79 LEU HD22 . 18856 1 360 . 1 1 31 31 LEU HD23 H 1 0.728 0.02 . . . . . A 79 LEU HD23 . 18856 1 361 . 1 1 31 31 LEU C C 13 173.511 0.3 . . . . . A 79 LEU C . 18856 1 362 . 1 1 31 31 LEU CA C 13 55.181 0.3 . . . . . A 79 LEU CA . 18856 1 363 . 1 1 31 31 LEU CB C 13 42.68 0.3 . . . . . A 79 LEU CB . 18856 1 364 . 1 1 31 31 LEU CG C 13 26.534 0.3 . . . . . A 79 LEU CG . 18856 1 365 . 1 1 31 31 LEU CD1 C 13 24.018 0.3 . . . . . A 79 LEU CD1 . 18856 1 366 . 1 1 31 31 LEU CD2 C 13 23.087 0.3 . . . . . A 79 LEU CD2 . 18856 1 367 . 1 1 31 31 LEU N N 15 119.934 0.3 . . . . . A 79 LEU N . 18856 1 368 . 1 1 32 32 MET H H 1 8.227 0.02 . . . . . A 80 MET H . 18856 1 369 . 1 1 32 32 MET HA H 1 4.311 0.02 . . . . . A 80 MET HA . 18856 1 370 . 1 1 32 32 MET HB2 H 1 2.417 0.02 . . . . . A 80 MET HB2 . 18856 1 371 . 1 1 32 32 MET HB3 H 1 2.417 0.02 . . . . . A 80 MET QB . 18856 1 372 . 1 1 32 32 MET HG2 H 1 1.993 0.02 . . . . . A 80 MET HG2 . 18856 1 373 . 1 1 32 32 MET HG3 H 1 1.993 0.02 . . . . . A 80 MET QG . 18856 1 374 . 1 1 32 32 MET HE1 H 1 1.916 0.02 . . . . . A 80 MET HE1 . 18856 1 375 . 1 1 32 32 MET HE2 H 1 1.916 0.02 . . . . . A 80 MET HE2 . 18856 1 376 . 1 1 32 32 MET HE3 H 1 1.916 0.02 . . . . . A 80 MET HE3 . 18856 1 377 . 1 1 32 32 MET C C 13 175.21 0.3 . . . . . A 80 MET C . 18856 1 378 . 1 1 32 32 MET CA C 13 56.107 0.3 . . . . . A 80 MET CA . 18856 1 379 . 1 1 32 32 MET CB C 13 31.836 0.3 . . . . . A 80 MET CB . 18856 1 380 . 1 1 32 32 MET CG C 13 32.262 0.3 . . . . . A 80 MET CG . 18856 1 381 . 1 1 32 32 MET CE C 13 16.525 0.3 . . . . . A 80 MET CE . 18856 1 382 . 1 1 32 32 MET N N 15 118.653 0.3 . . . . . A 80 MET N . 18856 1 383 . 1 1 33 33 GLN H H 1 7.563 0.02 . . . . . A 81 GLN H . 18856 1 384 . 1 1 33 33 GLN HA H 1 4.303 0.02 . . . . . A 81 GLN HA . 18856 1 385 . 1 1 33 33 GLN HB2 H 1 1.945 0.02 . . . . . A 81 GLN HB2 . 18856 1 386 . 1 1 33 33 GLN HB3 H 1 1.787 0.02 . . . . . A 81 GLN HB3 . 18856 1 387 . 1 1 33 33 GLN HG2 H 1 2.523 0.02 . . . . . A 81 GLN HG2 . 18856 1 388 . 1 1 33 33 GLN HG3 H 1 2.22 0.02 . . . . . A 81 GLN HG3 . 18856 1 389 . 1 1 33 33 GLN HE21 H 1 7.159 0.02 . . . . . A 81 GLN HE21 . 18856 1 390 . 1 1 33 33 GLN HE22 H 1 6.716 0.02 . . . . . A 81 GLN HE22 . 18856 1 391 . 1 1 33 33 GLN C C 13 177.007 0.3 . . . . . A 81 GLN C . 18856 1 392 . 1 1 33 33 GLN CA C 13 54.761 0.3 . . . . . A 81 GLN CA . 18856 1 393 . 1 1 33 33 GLN CB C 13 30.584 0.3 . . . . . A 81 GLN CB . 18856 1 394 . 1 1 33 33 GLN CG C 13 33.592 0.3 . . . . . A 81 GLN CG . 18856 1 395 . 1 1 33 33 GLN N N 15 117.358 0.3 . . . . . A 81 GLN N . 18856 1 396 . 1 1 33 33 GLN NE2 N 15 111.638 0.3 . . . . . A 81 GLN NE2 . 18856 1 397 . 1 1 34 34 MET H H 1 8.512 0.02 . . . . . A 82 MET H . 18856 1 398 . 1 1 34 34 MET HA H 1 3.803 0.02 . . . . . A 82 MET HA . 18856 1 399 . 1 1 34 34 MET HB2 H 1 2.45 0.02 . . . . . A 82 MET HB2 . 18856 1 400 . 1 1 34 34 MET HB3 H 1 2.45 0.02 . . . . . A 82 MET QB . 18856 1 401 . 1 1 34 34 MET HG2 H 1 1.905 0.02 . . . . . A 82 MET HG2 . 18856 1 402 . 1 1 34 34 MET HG3 H 1 1.905 0.02 . . . . . A 82 MET QG . 18856 1 403 . 1 1 34 34 MET HE1 H 1 2.004 0.02 . . . . . A 82 MET HE1 . 18856 1 404 . 1 1 34 34 MET HE2 H 1 2.004 0.02 . . . . . A 82 MET HE2 . 18856 1 405 . 1 1 34 34 MET HE3 H 1 2.004 0.02 . . . . . A 82 MET HE3 . 18856 1 406 . 1 1 34 34 MET C C 13 177.441 0.3 . . . . . A 82 MET C . 18856 1 407 . 1 1 34 34 MET CA C 13 53.413 0.3 . . . . . A 82 MET CA . 18856 1 408 . 1 1 34 34 MET CB C 13 31.544 0.3 . . . . . A 82 MET CB . 18856 1 409 . 1 1 34 34 MET CE C 13 16.842 0.3 . . . . . A 82 MET CE . 18856 1 410 . 1 1 34 34 MET N N 15 120.142 0.3 . . . . . A 82 MET N . 18856 1 411 . 1 1 35 35 PRO HA H 1 4.086 0.02 . . . . . A 83 PRO HA . 18856 1 412 . 1 1 35 35 PRO HB2 H 1 2.546 0.02 . . . . . A 83 PRO HB2 . 18856 1 413 . 1 1 35 35 PRO HB3 H 1 2.546 0.02 . . . . . A 83 PRO QB . 18856 1 414 . 1 1 35 35 PRO HG2 H 1 1.972 0.02 . . . . . A 83 PRO HG2 . 18856 1 415 . 1 1 35 35 PRO HG3 H 1 1.972 0.02 . . . . . A 83 PRO QG . 18856 1 416 . 1 1 35 35 PRO HD2 H 1 3.723 0.02 . . . . . A 83 PRO HD2 . 18856 1 417 . 1 1 35 35 PRO HD3 H 1 3.723 0.02 . . . . . A 83 PRO QD . 18856 1 418 . 1 1 35 35 PRO C C 13 175.006 0.3 . . . . . A 83 PRO C . 18856 1 419 . 1 1 35 35 PRO CA C 13 62.961 0.3 . . . . . A 83 PRO CA . 18856 1 420 . 1 1 35 35 PRO CB C 13 31.267 0.3 . . . . . A 83 PRO CB . 18856 1 421 . 1 1 35 35 PRO CG C 13 28.113 0.3 . . . . . A 83 PRO CG . 18856 1 422 . 1 1 35 35 PRO CD C 13 58.687 0.3 . . . . . A 83 PRO CD . 18856 1 423 . 1 1 36 36 ILE H H 1 8.482 0.02 . . . . . A 84 ILE H . 18856 1 424 . 1 1 36 36 ILE HA H 1 4.314 0.02 . . . . . A 84 ILE HA . 18856 1 425 . 1 1 36 36 ILE HB H 1 1.815 0.02 . . . . . A 84 ILE HB . 18856 1 426 . 1 1 36 36 ILE HG12 H 1 0.987 0.02 . . . . . A 84 ILE HG12 . 18856 1 427 . 1 1 36 36 ILE HG13 H 1 0.857 0.02 . . . . . A 84 ILE HG13 . 18856 1 428 . 1 1 36 36 ILE HG21 H 1 0.823 0.02 . . . . . A 84 ILE HG21 . 18856 1 429 . 1 1 36 36 ILE HG22 H 1 0.823 0.02 . . . . . A 84 ILE HG22 . 18856 1 430 . 1 1 36 36 ILE HG23 H 1 0.823 0.02 . . . . . A 84 ILE HG23 . 18856 1 431 . 1 1 36 36 ILE HD11 H 1 0.659 0.02 . . . . . A 84 ILE HD11 . 18856 1 432 . 1 1 36 36 ILE HD12 H 1 0.659 0.02 . . . . . A 84 ILE HD12 . 18856 1 433 . 1 1 36 36 ILE HD13 H 1 0.659 0.02 . . . . . A 84 ILE HD13 . 18856 1 434 . 1 1 36 36 ILE C C 13 174.211 0.3 . . . . . A 84 ILE C . 18856 1 435 . 1 1 36 36 ILE CA C 13 60.607 0.3 . . . . . A 84 ILE CA . 18856 1 436 . 1 1 36 36 ILE CB C 13 39.018 0.3 . . . . . A 84 ILE CB . 18856 1 437 . 1 1 36 36 ILE CG1 C 13 26.825 0.3 . . . . . A 84 ILE CG1 . 18856 1 438 . 1 1 36 36 ILE CG2 C 13 19.029 0.3 . . . . . A 84 ILE CG2 . 18856 1 439 . 1 1 36 36 ILE CD1 C 13 14.652 0.3 . . . . . A 84 ILE CD1 . 18856 1 440 . 1 1 36 36 ILE N N 15 112.416 0.3 . . . . . A 84 ILE N . 18856 1 441 . 1 1 37 37 GLY H H 1 7.582 0.02 . . . . . A 85 GLY H . 18856 1 442 . 1 1 37 37 GLY HA2 H 1 3.564 0.02 . . . . . A 85 GLY HA2 . 18856 1 443 . 1 1 37 37 GLY HA3 H 1 3.564 0.02 . . . . . A 85 GLY QA . 18856 1 444 . 1 1 37 37 GLY C C 13 181.257 0.3 . . . . . A 85 GLY C . 18856 1 445 . 1 1 37 37 GLY CA C 13 45.769 0.3 . . . . . A 85 GLY CA . 18856 1 446 . 1 1 37 37 GLY N N 15 105.966 0.3 . . . . . A 85 GLY N . 18856 1 447 . 1 1 38 38 ILE H H 1 8.15 0.02 . . . . . A 86 ILE H . 18856 1 448 . 1 1 38 38 ILE HA H 1 5.295 0.02 . . . . . A 86 ILE HA . 18856 1 449 . 1 1 38 38 ILE HB H 1 1.695 0.02 . . . . . A 86 ILE HB . 18856 1 450 . 1 1 38 38 ILE HG12 H 1 1.464 0.02 . . . . . A 86 ILE HG12 . 18856 1 451 . 1 1 38 38 ILE HG13 H 1 1.464 0.02 . . . . . A 86 ILE QG1 . 18856 1 452 . 1 1 38 38 ILE HG21 H 1 0.902 0.02 . . . . . A 86 ILE HG21 . 18856 1 453 . 1 1 38 38 ILE HG22 H 1 0.902 0.02 . . . . . A 86 ILE HG22 . 18856 1 454 . 1 1 38 38 ILE HG23 H 1 0.902 0.02 . . . . . A 86 ILE HG23 . 18856 1 455 . 1 1 38 38 ILE HD11 H 1 0.778 0.02 . . . . . A 86 ILE HD11 . 18856 1 456 . 1 1 38 38 ILE HD12 H 1 0.778 0.02 . . . . . A 86 ILE HD12 . 18856 1 457 . 1 1 38 38 ILE HD13 H 1 0.778 0.02 . . . . . A 86 ILE HD13 . 18856 1 458 . 1 1 38 38 ILE C C 13 178.698 0.3 . . . . . A 86 ILE C . 18856 1 459 . 1 1 38 38 ILE CA C 13 59.512 0.3 . . . . . A 86 ILE CA . 18856 1 460 . 1 1 38 38 ILE CB C 13 42.768 0.3 . . . . . A 86 ILE CB . 18856 1 461 . 1 1 38 38 ILE CG1 C 13 26.835 0.3 . . . . . A 86 ILE CG1 . 18856 1 462 . 1 1 38 38 ILE CG2 C 13 17.157 0.3 . . . . . A 86 ILE CG2 . 18856 1 463 . 1 1 38 38 ILE CD1 C 13 14.868 0.3 . . . . . A 86 ILE CD1 . 18856 1 464 . 1 1 38 38 ILE N N 15 120.888 0.3 . . . . . A 86 ILE N . 18856 1 465 . 1 1 39 39 LEU H H 1 8.756 0.02 . . . . . A 87 LEU H . 18856 1 466 . 1 1 39 39 LEU HA H 1 5.04 0.02 . . . . . A 87 LEU HA . 18856 1 467 . 1 1 39 39 LEU HB2 H 1 1.618 0.02 . . . . . A 87 LEU HB2 . 18856 1 468 . 1 1 39 39 LEU HB3 H 1 1.468 0.02 . . . . . A 87 LEU HB3 . 18856 1 469 . 1 1 39 39 LEU HG H 1 1.315 0.02 . . . . . A 87 LEU HG . 18856 1 470 . 1 1 39 39 LEU HD11 H 1 0.738 0.02 . . . . . A 87 LEU HD11 . 18856 1 471 . 1 1 39 39 LEU HD12 H 1 0.738 0.02 . . . . . A 87 LEU HD12 . 18856 1 472 . 1 1 39 39 LEU HD13 H 1 0.738 0.02 . . . . . A 87 LEU HD13 . 18856 1 473 . 1 1 39 39 LEU HD21 H 1 0.734 0.02 . . . . . A 87 LEU HD21 . 18856 1 474 . 1 1 39 39 LEU HD22 H 1 0.734 0.02 . . . . . A 87 LEU HD22 . 18856 1 475 . 1 1 39 39 LEU HD23 H 1 0.734 0.02 . . . . . A 87 LEU HD23 . 18856 1 476 . 1 1 39 39 LEU C C 13 176.472 0.3 . . . . . A 87 LEU C . 18856 1 477 . 1 1 39 39 LEU CA C 13 53.779 0.3 . . . . . A 87 LEU CA . 18856 1 478 . 1 1 39 39 LEU CB C 13 46.838 0.3 . . . . . A 87 LEU CB . 18856 1 479 . 1 1 39 39 LEU CG C 13 26.895 0.3 . . . . . A 87 LEU CG . 18856 1 480 . 1 1 39 39 LEU CD1 C 13 25.576 0.3 . . . . . A 87 LEU CD1 . 18856 1 481 . 1 1 39 39 LEU CD2 C 13 25.894 0.3 . . . . . A 87 LEU CD2 . 18856 1 482 . 1 1 39 39 LEU N N 15 121.854 0.3 . . . . . A 87 LEU N . 18856 1 483 . 1 1 40 40 LEU H H 1 8.422 0.02 . . . . . A 88 LEU H . 18856 1 484 . 1 1 40 40 LEU HA H 1 5.022 0.02 . . . . . A 88 LEU HA . 18856 1 485 . 1 1 40 40 LEU HB2 H 1 1.888 0.02 . . . . . A 88 LEU HB2 . 18856 1 486 . 1 1 40 40 LEU HB3 H 1 1.666 0.02 . . . . . A 88 LEU HB3 . 18856 1 487 . 1 1 40 40 LEU HG H 1 1.565 0.02 . . . . . A 88 LEU HG . 18856 1 488 . 1 1 40 40 LEU HD11 H 1 0.831 0.02 . . . . . A 88 LEU HD11 . 18856 1 489 . 1 1 40 40 LEU HD12 H 1 0.831 0.02 . . . . . A 88 LEU HD12 . 18856 1 490 . 1 1 40 40 LEU HD13 H 1 0.831 0.02 . . . . . A 88 LEU HD13 . 18856 1 491 . 1 1 40 40 LEU HD21 H 1 0.775 0.02 . . . . . A 88 LEU HD21 . 18856 1 492 . 1 1 40 40 LEU HD22 H 1 0.775 0.02 . . . . . A 88 LEU HD22 . 18856 1 493 . 1 1 40 40 LEU HD23 H 1 0.775 0.02 . . . . . A 88 LEU HD23 . 18856 1 494 . 1 1 40 40 LEU C C 13 175.197 0.3 . . . . . A 88 LEU C . 18856 1 495 . 1 1 40 40 LEU CA C 13 54.418 0.3 . . . . . A 88 LEU CA . 18856 1 496 . 1 1 40 40 LEU CB C 13 43.45 0.3 . . . . . A 88 LEU CB . 18856 1 497 . 1 1 40 40 LEU CG C 13 26.238 0.3 . . . . . A 88 LEU CG . 18856 1 498 . 1 1 40 40 LEU CD1 C 13 25.268 0.3 . . . . . A 88 LEU CD1 . 18856 1 499 . 1 1 40 40 LEU CD2 C 13 25.602 0.3 . . . . . A 88 LEU CD2 . 18856 1 500 . 1 1 40 40 LEU N N 15 123.466 0.3 . . . . . A 88 LEU N . 18856 1 501 . 1 1 41 41 LEU H H 1 8.315 0.02 . . . . . A 89 LEU H . 18856 1 502 . 1 1 41 41 LEU HA H 1 5.258 0.02 . . . . . A 89 LEU HA . 18856 1 503 . 1 1 41 41 LEU HB2 H 1 1.525 0.02 . . . . . A 89 LEU HB2 . 18856 1 504 . 1 1 41 41 LEU HB3 H 1 1.525 0.02 . . . . . A 89 LEU QB . 18856 1 505 . 1 1 41 41 LEU HG H 1 1.336 0.02 . . . . . A 89 LEU HG . 18856 1 506 . 1 1 41 41 LEU HD11 H 1 0.661 0.02 . . . . . A 89 LEU HD11 . 18856 1 507 . 1 1 41 41 LEU HD12 H 1 0.661 0.02 . . . . . A 89 LEU HD12 . 18856 1 508 . 1 1 41 41 LEU HD13 H 1 0.661 0.02 . . . . . A 89 LEU HD13 . 18856 1 509 . 1 1 41 41 LEU HD21 H 1 0.557 0.02 . . . . . A 89 LEU HD21 . 18856 1 510 . 1 1 41 41 LEU HD22 H 1 0.557 0.02 . . . . . A 89 LEU HD22 . 18856 1 511 . 1 1 41 41 LEU HD23 H 1 0.557 0.02 . . . . . A 89 LEU HD23 . 18856 1 512 . 1 1 41 41 LEU C C 13 174.441 0.3 . . . . . A 89 LEU C . 18856 1 513 . 1 1 41 41 LEU CA C 13 53.112 0.3 . . . . . A 89 LEU CA . 18856 1 514 . 1 1 41 41 LEU CB C 13 45.278 0.3 . . . . . A 89 LEU CB . 18856 1 515 . 1 1 41 41 LEU CG C 13 27.038 0.3 . . . . . A 89 LEU CG . 18856 1 516 . 1 1 41 41 LEU CD1 C 13 25.911 0.3 . . . . . A 89 LEU CD1 . 18856 1 517 . 1 1 41 41 LEU CD2 C 13 24.642 0.3 . . . . . A 89 LEU CD2 . 18856 1 518 . 1 1 41 41 LEU N N 15 122.383 0.3 . . . . . A 89 LEU N . 18856 1 519 . 1 1 42 42 ASP H H 1 9.038 0.02 . . . . . A 90 ASP H . 18856 1 520 . 1 1 42 42 ASP HA H 1 4.74 0.02 . . . . . A 90 ASP HA . 18856 1 521 . 1 1 42 42 ASP HB2 H 1 3.218 0.02 . . . . . A 90 ASP HB2 . 18856 1 522 . 1 1 42 42 ASP HB3 H 1 2.591 0.02 . . . . . A 90 ASP HB3 . 18856 1 523 . 1 1 42 42 ASP C C 13 173.231 0.3 . . . . . A 90 ASP C . 18856 1 524 . 1 1 42 42 ASP CA C 13 52.036 0.3 . . . . . A 90 ASP CA . 18856 1 525 . 1 1 42 42 ASP CB C 13 41.163 0.3 . . . . . A 90 ASP CB . 18856 1 526 . 1 1 42 42 ASP N N 15 121.697 0.3 . . . . . A 90 ASP N . 18856 1 527 . 1 1 43 43 GLU H H 1 8.67 0.02 . . . . . A 91 GLU H . 18856 1 528 . 1 1 43 43 GLU HA H 1 3.876 0.02 . . . . . A 91 GLU HA . 18856 1 529 . 1 1 43 43 GLU HB2 H 1 2.065 0.02 . . . . . A 91 GLU HB2 . 18856 1 530 . 1 1 43 43 GLU HB3 H 1 1.931 0.02 . . . . . A 91 GLU HB3 . 18856 1 531 . 1 1 43 43 GLU HG2 H 1 2.194 0.02 . . . . . A 91 GLU HG2 . 18856 1 532 . 1 1 43 43 GLU HG3 H 1 2.194 0.02 . . . . . A 91 GLU QG . 18856 1 533 . 1 1 43 43 GLU C C 13 174.565 0.3 . . . . . A 91 GLU C . 18856 1 534 . 1 1 43 43 GLU CA C 13 58.858 0.3 . . . . . A 91 GLU CA . 18856 1 535 . 1 1 43 43 GLU CB C 13 29.024 0.3 . . . . . A 91 GLU CB . 18856 1 536 . 1 1 43 43 GLU CG C 13 36.525 0.3 . . . . . A 91 GLU CG . 18856 1 537 . 1 1 43 43 GLU N N 15 115.424 0.3 . . . . . A 91 GLU N . 18856 1 538 . 1 1 44 44 GLU H H 1 8.432 0.02 . . . . . A 92 GLU H . 18856 1 539 . 1 1 44 44 GLU HA H 1 4.333 0.02 . . . . . A 92 GLU HA . 18856 1 540 . 1 1 44 44 GLU HB2 H 1 2.147 0.02 . . . . . A 92 GLU HB2 . 18856 1 541 . 1 1 44 44 GLU HB3 H 1 1.819 0.02 . . . . . A 92 GLU HB3 . 18856 1 542 . 1 1 44 44 GLU HG2 H 1 2.08 0.02 . . . . . A 92 GLU HG2 . 18856 1 543 . 1 1 44 44 GLU HG3 H 1 2.019 0.02 . . . . . A 92 GLU HG3 . 18856 1 544 . 1 1 44 44 GLU C C 13 176.392 0.3 . . . . . A 92 GLU C . 18856 1 545 . 1 1 44 44 GLU CA C 13 55.129 0.3 . . . . . A 92 GLU CA . 18856 1 546 . 1 1 44 44 GLU CB C 13 29.653 0.3 . . . . . A 92 GLU CB . 18856 1 547 . 1 1 44 44 GLU CG C 13 36.51 0.3 . . . . . A 92 GLU CG . 18856 1 548 . 1 1 44 44 GLU N N 15 120.15 0.3 . . . . . A 92 GLU N . 18856 1 549 . 1 1 45 45 ASP H H 1 7.922 0.02 . . . . . A 93 ASP H . 18856 1 550 . 1 1 45 45 ASP HA H 1 4.083 0.02 . . . . . A 93 ASP HA . 18856 1 551 . 1 1 45 45 ASP HB2 H 1 2.922 0.02 . . . . . A 93 ASP HB2 . 18856 1 552 . 1 1 45 45 ASP HB3 H 1 2.835 0.02 . . . . . A 93 ASP HB3 . 18856 1 553 . 1 1 45 45 ASP C C 13 177.018 0.3 . . . . . A 93 ASP C . 18856 1 554 . 1 1 45 45 ASP CA C 13 56.264 0.3 . . . . . A 93 ASP CA . 18856 1 555 . 1 1 45 45 ASP CB C 13 38.709 0.3 . . . . . A 93 ASP CB . 18856 1 556 . 1 1 45 45 ASP N N 15 114.465 0.3 . . . . . A 93 ASP N . 18856 1 557 . 1 1 46 46 LYS H H 1 8.51 0.02 . . . . . A 94 LYS H . 18856 1 558 . 1 1 46 46 LYS HA H 1 4.355 0.02 . . . . . A 94 LYS HA . 18856 1 559 . 1 1 46 46 LYS HB2 H 1 2.024 0.02 . . . . . A 94 LYS HB2 . 18856 1 560 . 1 1 46 46 LYS HB3 H 1 2.024 0.02 . . . . . A 94 LYS QB . 18856 1 561 . 1 1 46 46 LYS HG2 H 1 1.438 0.02 . . . . . A 94 LYS HG2 . 18856 1 562 . 1 1 46 46 LYS HG3 H 1 1.438 0.02 . . . . . A 94 LYS QG . 18856 1 563 . 1 1 46 46 LYS HD2 H 1 1.596 0.02 . . . . . A 94 LYS HD2 . 18856 1 564 . 1 1 46 46 LYS HD3 H 1 1.596 0.02 . . . . . A 94 LYS QD . 18856 1 565 . 1 1 46 46 LYS HE2 H 1 2.891 0.02 . . . . . A 94 LYS HE2 . 18856 1 566 . 1 1 46 46 LYS HE3 H 1 2.891 0.02 . . . . . A 94 LYS QE . 18856 1 567 . 1 1 46 46 LYS C C 13 174.567 0.3 . . . . . A 94 LYS C . 18856 1 568 . 1 1 46 46 LYS CA C 13 54.374 0.3 . . . . . A 94 LYS CA . 18856 1 569 . 1 1 46 46 LYS CB C 13 32.779 0.3 . . . . . A 94 LYS CB . 18856 1 570 . 1 1 46 46 LYS CG C 13 28.398 0.3 . . . . . A 94 LYS CG . 18856 1 571 . 1 1 46 46 LYS CD C 13 28.349 0.3 . . . . . A 94 LYS CD . 18856 1 572 . 1 1 46 46 LYS N N 15 117.646 0.3 . . . . . A 94 LYS N . 18856 1 573 . 1 1 47 47 ILE H H 1 8.407 0.02 . . . . . A 95 ILE H . 18856 1 574 . 1 1 47 47 ILE HA H 1 4.101 0.02 . . . . . A 95 ILE HA . 18856 1 575 . 1 1 47 47 ILE HB H 1 2.028 0.02 . . . . . A 95 ILE HB . 18856 1 576 . 1 1 47 47 ILE HG12 H 1 1.428 0.02 . . . . . A 95 ILE HG12 . 18856 1 577 . 1 1 47 47 ILE HG13 H 1 1.428 0.02 . . . . . A 95 ILE QG1 . 18856 1 578 . 1 1 47 47 ILE HG21 H 1 0.501 0.02 . . . . . A 95 ILE HG21 . 18856 1 579 . 1 1 47 47 ILE HG22 H 1 0.501 0.02 . . . . . A 95 ILE HG22 . 18856 1 580 . 1 1 47 47 ILE HG23 H 1 0.501 0.02 . . . . . A 95 ILE HG23 . 18856 1 581 . 1 1 47 47 ILE HD11 H 1 0.523 0.02 . . . . . A 95 ILE HD11 . 18856 1 582 . 1 1 47 47 ILE HD12 H 1 0.523 0.02 . . . . . A 95 ILE HD12 . 18856 1 583 . 1 1 47 47 ILE HD13 H 1 0.523 0.02 . . . . . A 95 ILE HD13 . 18856 1 584 . 1 1 47 47 ILE C C 13 174.382 0.3 . . . . . A 95 ILE C . 18856 1 585 . 1 1 47 47 ILE CA C 13 62.804 0.3 . . . . . A 95 ILE CA . 18856 1 586 . 1 1 47 47 ILE CB C 13 37.148 0.3 . . . . . A 95 ILE CB . 18856 1 587 . 1 1 47 47 ILE CG1 C 13 28.718 0.3 . . . . . A 95 ILE CG1 . 18856 1 588 . 1 1 47 47 ILE CG2 C 13 18.711 0.3 . . . . . A 95 ILE CG2 . 18856 1 589 . 1 1 47 47 ILE CD1 C 13 14.652 0.3 . . . . . A 95 ILE CD1 . 18856 1 590 . 1 1 47 47 ILE N N 15 120.647 0.3 . . . . . A 95 ILE N . 18856 1 591 . 1 1 48 48 GLU H H 1 9.442 0.02 . . . . . A 96 GLU H . 18856 1 592 . 1 1 48 48 GLU HA H 1 3.944 0.02 . . . . . A 96 GLU HA . 18856 1 593 . 1 1 48 48 GLU HB2 H 1 2.019 0.02 . . . . . A 96 GLU HB2 . 18856 1 594 . 1 1 48 48 GLU HB3 H 1 1.965 0.02 . . . . . A 96 GLU HB3 . 18856 1 595 . 1 1 48 48 GLU HG2 H 1 2.218 0.02 . . . . . A 96 GLU HG2 . 18856 1 596 . 1 1 48 48 GLU HG3 H 1 2.218 0.02 . . . . . A 96 GLU QG . 18856 1 597 . 1 1 48 48 GLU C C 13 175.325 0.3 . . . . . A 96 GLU C . 18856 1 598 . 1 1 48 48 GLU CA C 13 56.881 0.3 . . . . . A 96 GLU CA . 18856 1 599 . 1 1 48 48 GLU CB C 13 32.094 0.3 . . . . . A 96 GLU CB . 18856 1 600 . 1 1 48 48 GLU CG C 13 33.713 0.3 . . . . . A 96 GLU CG . 18856 1 601 . 1 1 48 48 GLU N N 15 130.214 0.3 . . . . . A 96 GLU N . 18856 1 602 . 1 1 49 49 TRP H H 1 7.415 0.02 . . . . . A 97 TRP H . 18856 1 603 . 1 1 49 49 TRP HA H 1 4.063 0.02 . . . . . A 97 TRP HA . 18856 1 604 . 1 1 49 49 TRP HB2 H 1 3.275 0.02 . . . . . A 97 TRP HB2 . 18856 1 605 . 1 1 49 49 TRP HB3 H 1 3.091 0.02 . . . . . A 97 TRP HB3 . 18856 1 606 . 1 1 49 49 TRP HD1 H 1 6.537 0.02 . . . . . A 97 TRP HD1 . 18856 1 607 . 1 1 49 49 TRP HE1 H 1 9.115 0.02 . . . . . A 97 TRP HE1 . 18856 1 608 . 1 1 49 49 TRP HE3 H 1 6.604 0.02 . . . . . A 97 TRP HE3 . 18856 1 609 . 1 1 49 49 TRP HZ2 H 1 7.09 0.02 . . . . . A 97 TRP HZ2 . 18856 1 610 . 1 1 49 49 TRP HZ3 H 1 6.885 0.02 . . . . . A 97 TRP HZ3 . 18856 1 611 . 1 1 49 49 TRP HH2 H 1 6.78 0.02 . . . . . A 97 TRP HH2 . 18856 1 612 . 1 1 49 49 TRP C C 13 177.954 0.3 . . . . . A 97 TRP C . 18856 1 613 . 1 1 49 49 TRP CA C 13 61.057 0.3 . . . . . A 97 TRP CA . 18856 1 614 . 1 1 49 49 TRP CB C 13 33.054 0.3 . . . . . A 97 TRP CB . 18856 1 615 . 1 1 49 49 TRP CD1 C 13 124.501 0.3 . . . . . A 97 TRP CD1 . 18856 1 616 . 1 1 49 49 TRP CE3 C 13 118.334 0.3 . . . . . A 97 TRP CE3 . 18856 1 617 . 1 1 49 49 TRP CZ2 C 13 111.106 0.3 . . . . . A 97 TRP CZ2 . 18856 1 618 . 1 1 49 49 TRP CZ3 C 13 116.104 0.3 . . . . . A 97 TRP CZ3 . 18856 1 619 . 1 1 49 49 TRP CH2 C 13 119.353 0.3 . . . . . A 97 TRP CH2 . 18856 1 620 . 1 1 49 49 TRP N N 15 114.839 0.3 . . . . . A 97 TRP N . 18856 1 621 . 1 1 49 49 TRP NE1 N 15 130.042 0.3 . . . . . A 97 TRP NE1 . 18856 1 622 . 1 1 50 50 SER H H 1 5.976 0.02 . . . . . A 98 SER H . 18856 1 623 . 1 1 50 50 SER HA H 1 4.277 0.02 . . . . . A 98 SER HA . 18856 1 624 . 1 1 50 50 SER HB2 H 1 3.726 0.02 . . . . . A 98 SER HB2 . 18856 1 625 . 1 1 50 50 SER HB3 H 1 3.726 0.02 . . . . . A 98 SER QB . 18856 1 626 . 1 1 50 50 SER C C 13 181.51 0.3 . . . . . A 98 SER C . 18856 1 627 . 1 1 50 50 SER CA C 13 56.58 0.3 . . . . . A 98 SER CA . 18856 1 628 . 1 1 50 50 SER CB C 13 67.541 0.3 . . . . . A 98 SER CB . 18856 1 629 . 1 1 50 50 SER N N 15 118.307 0.3 . . . . . A 98 SER N . 18856 1 630 . 1 1 51 51 ASN H H 1 7.766 0.02 . . . . . A 99 ASN H . 18856 1 631 . 1 1 51 51 ASN HA H 1 4.092 0.02 . . . . . A 99 ASN HA . 18856 1 632 . 1 1 51 51 ASN HB2 H 1 2.322 0.02 . . . . . A 99 ASN HB2 . 18856 1 633 . 1 1 51 51 ASN HB3 H 1 2.322 0.02 . . . . . A 99 ASN QB . 18856 1 634 . 1 1 51 51 ASN HD21 H 1 7.388 0.02 . . . . . A 99 ASN HD21 . 18856 1 635 . 1 1 51 51 ASN HD22 H 1 6.592 0.02 . . . . . A 99 ASN HD22 . 18856 1 636 . 1 1 51 51 ASN C C 13 174.491 0.3 . . . . . A 99 ASN C . 18856 1 637 . 1 1 51 51 ASN CA C 13 52.333 0.3 . . . . . A 99 ASN CA . 18856 1 638 . 1 1 51 51 ASN CB C 13 37.774 0.3 . . . . . A 99 ASN CB . 18856 1 639 . 1 1 51 51 ASN N N 15 114.631 0.3 . . . . . A 99 ASN N . 18856 1 640 . 1 1 51 51 ASN ND2 N 15 111.145 0.3 . . . . . A 99 ASN ND2 . 18856 1 641 . 1 1 52 52 ARG H H 1 10.273 0.02 . . . . . A 100 ARG H . 18856 1 642 . 1 1 52 52 ARG HA H 1 3.827 0.02 . . . . . A 100 ARG HA . 18856 1 643 . 1 1 52 52 ARG HB2 H 1 1.889 0.02 . . . . . A 100 ARG HB2 . 18856 1 644 . 1 1 52 52 ARG HB3 H 1 1.795 0.02 . . . . . A 100 ARG HB3 . 18856 1 645 . 1 1 52 52 ARG HG2 H 1 1.656 0.02 . . . . . A 100 ARG HG2 . 18856 1 646 . 1 1 52 52 ARG HG3 H 1 1.656 0.02 . . . . . A 100 ARG QG . 18856 1 647 . 1 1 52 52 ARG HD2 H 1 3.142 0.02 . . . . . A 100 ARG HD2 . 18856 1 648 . 1 1 52 52 ARG HD3 H 1 3.142 0.02 . . . . . A 100 ARG QD . 18856 1 649 . 1 1 52 52 ARG HE H 1 7.188 0.02 . . . . . A 100 ARG HE . 18856 1 650 . 1 1 52 52 ARG C C 13 171.987 0.3 . . . . . A 100 ARG C . 18856 1 651 . 1 1 52 52 ARG CA C 13 59.612 0.3 . . . . . A 100 ARG CA . 18856 1 652 . 1 1 52 52 ARG CB C 13 29.643 0.3 . . . . . A 100 ARG CB . 18856 1 653 . 1 1 52 52 ARG CG C 13 26.85 0.3 . . . . . A 100 ARG CG . 18856 1 654 . 1 1 52 52 ARG CD C 13 42.667 0.3 . . . . . A 100 ARG CD . 18856 1 655 . 1 1 52 52 ARG N N 15 126.843 0.3 . . . . . A 100 ARG N . 18856 1 656 . 1 1 52 52 ARG NE N 15 84.4 0.3 . . . . . A 100 ARG NE . 18856 1 657 . 1 1 53 53 PHE H H 1 9.137 0.02 . . . . . A 101 PHE H . 18856 1 658 . 1 1 53 53 PHE HA H 1 4.165 0.02 . . . . . A 101 PHE HA . 18856 1 659 . 1 1 53 53 PHE HB2 H 1 3.258 0.02 . . . . . A 101 PHE HB2 . 18856 1 660 . 1 1 53 53 PHE HB3 H 1 2.582 0.02 . . . . . A 101 PHE HB3 . 18856 1 661 . 1 1 53 53 PHE HD1 H 1 7.021 0.02 . . . . . A 101 PHE HD1 . 18856 1 662 . 1 1 53 53 PHE HD2 H 1 7.021 0.02 . . . . . A 101 PHE HD2 . 18856 1 663 . 1 1 53 53 PHE HE1 H 1 7.055 0.02 . . . . . A 101 PHE HE1 . 18856 1 664 . 1 1 53 53 PHE HE2 H 1 7.055 0.02 . . . . . A 101 PHE HE2 . 18856 1 665 . 1 1 53 53 PHE HZ H 1 6.601 0.02 . . . . . A 101 PHE HZ . 18856 1 666 . 1 1 53 53 PHE C C 13 174.313 0.3 . . . . . A 101 PHE C . 18856 1 667 . 1 1 53 53 PHE CA C 13 60.946 0.3 . . . . . A 101 PHE CA . 18856 1 668 . 1 1 53 53 PHE CB C 13 39.032 0.3 . . . . . A 101 PHE CB . 18856 1 669 . 1 1 53 53 PHE CD1 C 13 128.912 0.3 . . . . . A 101 PHE CD1 . 18856 1 670 . 1 1 53 53 PHE CE1 C 13 127.979 0.3 . . . . . A 101 PHE CE1 . 18856 1 671 . 1 1 53 53 PHE CZ C 13 125.461 0.3 . . . . . A 101 PHE CZ . 18856 1 672 . 1 1 53 53 PHE N N 15 119.149 0.3 . . . . . A 101 PHE N . 18856 1 673 . 1 1 54 54 LEU H H 1 6.552 0.02 . . . . . A 102 LEU H . 18856 1 674 . 1 1 54 54 LEU HA H 1 3.647 0.02 . . . . . A 102 LEU HA . 18856 1 675 . 1 1 54 54 LEU HB2 H 1 1.284 0.02 . . . . . A 102 LEU HB2 . 18856 1 676 . 1 1 54 54 LEU HB3 H 1 1.284 0.02 . . . . . A 102 LEU QB . 18856 1 677 . 1 1 54 54 LEU HG H 1 1.199 0.02 . . . . . A 102 LEU HG . 18856 1 678 . 1 1 54 54 LEU HD11 H 1 0.145 0.02 . . . . . A 102 LEU HD11 . 18856 1 679 . 1 1 54 54 LEU HD12 H 1 0.145 0.02 . . . . . A 102 LEU HD12 . 18856 1 680 . 1 1 54 54 LEU HD13 H 1 0.145 0.02 . . . . . A 102 LEU HD13 . 18856 1 681 . 1 1 54 54 LEU HD21 H 1 0.058 0.02 . . . . . A 102 LEU HD21 . 18856 1 682 . 1 1 54 54 LEU HD22 H 1 0.058 0.02 . . . . . A 102 LEU HD22 . 18856 1 683 . 1 1 54 54 LEU HD23 H 1 0.058 0.02 . . . . . A 102 LEU HD23 . 18856 1 684 . 1 1 54 54 LEU C C 13 173.008 0.3 . . . . . A 102 LEU C . 18856 1 685 . 1 1 54 54 LEU CA C 13 56.602 0.3 . . . . . A 102 LEU CA . 18856 1 686 . 1 1 54 54 LEU CB C 13 41.844 0.3 . . . . . A 102 LEU CB . 18856 1 687 . 1 1 54 54 LEU CG C 13 26.161 0.3 . . . . . A 102 LEU CG . 18856 1 688 . 1 1 54 54 LEU CD1 C 13 25.276 0.3 . . . . . A 102 LEU CD1 . 18856 1 689 . 1 1 54 54 LEU CD2 C 13 22.774 0.3 . . . . . A 102 LEU CD2 . 18856 1 690 . 1 1 54 54 LEU N N 15 116.777 0.3 . . . . . A 102 LEU N . 18856 1 691 . 1 1 55 55 ALA H H 1 6.838 0.02 . . . . . A 103 ALA H . 18856 1 692 . 1 1 55 55 ALA HA H 1 3.541 0.02 . . . . . A 103 ALA HA . 18856 1 693 . 1 1 55 55 ALA HB1 H 1 0.991 0.02 . . . . . A 103 ALA HB1 . 18856 1 694 . 1 1 55 55 ALA HB2 H 1 0.991 0.02 . . . . . A 103 ALA HB2 . 18856 1 695 . 1 1 55 55 ALA HB3 H 1 0.991 0.02 . . . . . A 103 ALA HB3 . 18856 1 696 . 1 1 55 55 ALA C C 13 171.963 0.3 . . . . . A 103 ALA C . 18856 1 697 . 1 1 55 55 ALA CA C 13 55.637 0.3 . . . . . A 103 ALA CA . 18856 1 698 . 1 1 55 55 ALA CB C 13 16.523 0.3 . . . . . A 103 ALA CB . 18856 1 699 . 1 1 55 55 ALA N N 15 119.639 0.3 . . . . . A 103 ALA N . 18856 1 700 . 1 1 56 56 ALA H H 1 7.492 0.02 . . . . . A 104 ALA H . 18856 1 701 . 1 1 56 56 ALA HA H 1 3.985 0.02 . . . . . A 104 ALA HA . 18856 1 702 . 1 1 56 56 ALA HB1 H 1 1.24 0.02 . . . . . A 104 ALA HB1 . 18856 1 703 . 1 1 56 56 ALA HB2 H 1 1.24 0.02 . . . . . A 104 ALA HB2 . 18856 1 704 . 1 1 56 56 ALA HB3 H 1 1.24 0.02 . . . . . A 104 ALA HB3 . 18856 1 705 . 1 1 56 56 ALA C C 13 169.499 0.3 . . . . . A 104 ALA C . 18856 1 706 . 1 1 56 56 ALA CA C 13 54.749 0.3 . . . . . A 104 ALA CA . 18856 1 707 . 1 1 56 56 ALA CB C 13 17.144 0.3 . . . . . A 104 ALA CB . 18856 1 708 . 1 1 56 56 ALA N N 15 119.079 0.3 . . . . . A 104 ALA N . 18856 1 709 . 1 1 57 57 CYS H H 1 7.487 0.02 . . . . . A 105 CYS H . 18856 1 710 . 1 1 57 57 CYS HA H 1 3.701 0.02 . . . . . A 105 CYS HA . 18856 1 711 . 1 1 57 57 CYS HB2 H 1 2.689 0.02 . . . . . A 105 CYS HB2 . 18856 1 712 . 1 1 57 57 CYS HB3 H 1 2.081 0.02 . . . . . A 105 CYS HB3 . 18856 1 713 . 1 1 57 57 CYS C C 13 176.022 0.3 . . . . . A 105 CYS C . 18856 1 714 . 1 1 57 57 CYS CA C 13 62.79 0.3 . . . . . A 105 CYS CA . 18856 1 715 . 1 1 57 57 CYS CB C 13 25.9 0.3 . . . . . A 105 CYS CB . 18856 1 716 . 1 1 57 57 CYS N N 15 118.504 0.3 . . . . . A 105 CYS N . 18856 1 717 . 1 1 58 58 PHE H H 1 7.25 0.02 . . . . . A 106 PHE H . 18856 1 718 . 1 1 58 58 PHE HA H 1 4.137 0.02 . . . . . A 106 PHE HA . 18856 1 719 . 1 1 58 58 PHE HB2 H 1 3.239 0.02 . . . . . A 106 PHE HB2 . 18856 1 720 . 1 1 58 58 PHE HB3 H 1 2.484 0.02 . . . . . A 106 PHE HB3 . 18856 1 721 . 1 1 58 58 PHE HD1 H 1 7.179 0.02 . . . . . A 106 PHE HD1 . 18856 1 722 . 1 1 58 58 PHE HD2 H 1 7.179 0.02 . . . . . A 106 PHE HD2 . 18856 1 723 . 1 1 58 58 PHE HE1 H 1 6.657 0.02 . . . . . A 106 PHE HE1 . 18856 1 724 . 1 1 58 58 PHE HE2 H 1 6.657 0.02 . . . . . A 106 PHE HE2 . 18856 1 725 . 1 1 58 58 PHE HZ H 1 6.79 0.02 . . . . . A 106 PHE HZ . 18856 1 726 . 1 1 58 58 PHE C C 13 177.692 0.3 . . . . . A 106 PHE C . 18856 1 727 . 1 1 58 58 PHE CA C 13 58.303 0.3 . . . . . A 106 PHE CA . 18856 1 728 . 1 1 58 58 PHE CB C 13 39.094 0.3 . . . . . A 106 PHE CB . 18856 1 729 . 1 1 58 58 PHE CD2 C 13 129.826 0.3 . . . . . A 106 PHE CD2 . 18856 1 730 . 1 1 58 58 PHE CE2 C 13 127.629 0.3 . . . . . A 106 PHE CE2 . 18856 1 731 . 1 1 58 58 PHE CZ C 13 127.649 0.3 . . . . . A 106 PHE CZ . 18856 1 732 . 1 1 58 58 PHE N N 15 116.125 0.3 . . . . . A 106 PHE N . 18856 1 733 . 1 1 59 59 LYS H H 1 7.779 0.02 . . . . . A 107 LYS H . 18856 1 734 . 1 1 59 59 LYS HA H 1 3.722 0.02 . . . . . A 107 LYS HA . 18856 1 735 . 1 1 59 59 LYS HB2 H 1 1.944 0.02 . . . . . A 107 LYS HB2 . 18856 1 736 . 1 1 59 59 LYS HB3 H 1 1.814 0.02 . . . . . A 107 LYS HB3 . 18856 1 737 . 1 1 59 59 LYS HG2 H 1 1.19 0.02 . . . . . A 107 LYS HG2 . 18856 1 738 . 1 1 59 59 LYS HG3 H 1 1.19 0.02 . . . . . A 107 LYS QG . 18856 1 739 . 1 1 59 59 LYS HD2 H 1 1.523 0.02 . . . . . A 107 LYS HD2 . 18856 1 740 . 1 1 59 59 LYS HD3 H 1 1.523 0.02 . . . . . A 107 LYS QD . 18856 1 741 . 1 1 59 59 LYS HE2 H 1 2.808 0.02 . . . . . A 107 LYS HE2 . 18856 1 742 . 1 1 59 59 LYS HE3 H 1 2.808 0.02 . . . . . A 107 LYS QE . 18856 1 743 . 1 1 59 59 LYS C C 13 176.265 0.3 . . . . . A 107 LYS C . 18856 1 744 . 1 1 59 59 LYS CA C 13 57.188 0.3 . . . . . A 107 LYS CA . 18856 1 745 . 1 1 59 59 LYS CB C 13 29.027 0.3 . . . . . A 107 LYS CB . 18856 1 746 . 1 1 59 59 LYS CG C 13 24.651 0.3 . . . . . A 107 LYS CG . 18856 1 747 . 1 1 59 59 LYS CD C 13 28.715 0.3 . . . . . A 107 LYS CD . 18856 1 748 . 1 1 59 59 LYS N N 15 115.617 0.3 . . . . . A 107 LYS N . 18856 1 749 . 1 1 60 60 GLU H H 1 7.576 0.02 . . . . . A 108 GLU H . 18856 1 750 . 1 1 60 60 GLU HA H 1 4.519 0.02 . . . . . A 108 GLU HA . 18856 1 751 . 1 1 60 60 GLU HB2 H 1 2.00 0.02 . . . . . A 108 GLU HB2 . 18856 1 752 . 1 1 60 60 GLU HB3 H 1 1.922 0.02 . . . . . A 108 GLU HB3 . 18856 1 753 . 1 1 60 60 GLU HG2 H 1 2.225 0.02 . . . . . A 108 GLU HG2 . 18856 1 754 . 1 1 60 60 GLU HG3 H 1 2.225 0.02 . . . . . A 108 GLU QG . 18856 1 755 . 1 1 60 60 GLU C C 13 175.306 0.3 . . . . . A 108 GLU C . 18856 1 756 . 1 1 60 60 GLU CA C 13 53.729 0.3 . . . . . A 108 GLU CA . 18856 1 757 . 1 1 60 60 GLU CB C 13 32.455 0.3 . . . . . A 108 GLU CB . 18856 1 758 . 1 1 60 60 GLU CG C 13 33.717 0.3 . . . . . A 108 GLU CG . 18856 1 759 . 1 1 60 60 GLU N N 15 116.373 0.3 . . . . . A 108 GLU N . 18856 1 760 . 1 1 61 61 GLN H H 1 8.737 0.02 . . . . . A 109 GLN H . 18856 1 761 . 1 1 61 61 GLN HA H 1 3.975 0.02 . . . . . A 109 GLN HA . 18856 1 762 . 1 1 61 61 GLN HB2 H 1 1.937 0.02 . . . . . A 109 GLN HB2 . 18856 1 763 . 1 1 61 61 GLN HB3 H 1 1.869 0.02 . . . . . A 109 GLN HB3 . 18856 1 764 . 1 1 61 61 GLN HG2 H 1 2.251 0.02 . . . . . A 109 GLN HG2 . 18856 1 765 . 1 1 61 61 GLN HG3 H 1 2.197 0.02 . . . . . A 109 GLN HG3 . 18856 1 766 . 1 1 61 61 GLN HE21 H 1 7.373 0.02 . . . . . A 109 GLN HE21 . 18856 1 767 . 1 1 61 61 GLN HE22 H 1 6.676 0.02 . . . . . A 109 GLN HE22 . 18856 1 768 . 1 1 61 61 GLN C C 13 175.008 0.3 . . . . . A 109 GLN C . 18856 1 769 . 1 1 61 61 GLN CA C 13 57.342 0.3 . . . . . A 109 GLN CA . 18856 1 770 . 1 1 61 61 GLN CB C 13 29.025 0.3 . . . . . A 109 GLN CB . 18856 1 771 . 1 1 61 61 GLN CG C 13 33.714 0.3 . . . . . A 109 GLN CG . 18856 1 772 . 1 1 61 61 GLN N N 15 119.09 0.3 . . . . . A 109 GLN N . 18856 1 773 . 1 1 61 61 GLN NE2 N 15 111.633 0.3 . . . . . A 109 GLN NE2 . 18856 1 774 . 1 1 62 62 THR H H 1 7.635 0.02 . . . . . A 110 THR H . 18856 1 775 . 1 1 62 62 THR HA H 1 4.125 0.02 . . . . . A 110 THR HA . 18856 1 776 . 1 1 62 62 THR HB H 1 3.937 0.02 . . . . . A 110 THR HB . 18856 1 777 . 1 1 62 62 THR HG21 H 1 0.912 0.02 . . . . . A 110 THR HG21 . 18856 1 778 . 1 1 62 62 THR HG22 H 1 0.912 0.02 . . . . . A 110 THR HG22 . 18856 1 779 . 1 1 62 62 THR HG23 H 1 0.912 0.02 . . . . . A 110 THR HG23 . 18856 1 780 . 1 1 62 62 THR C C 13 179.886 0.3 . . . . . A 110 THR C . 18856 1 781 . 1 1 62 62 THR CA C 13 59.54 0.3 . . . . . A 110 THR CA . 18856 1 782 . 1 1 62 62 THR CB C 13 69.412 0.3 . . . . . A 110 THR CB . 18856 1 783 . 1 1 62 62 THR CG2 C 13 19.654 0.3 . . . . . A 110 THR CG2 . 18856 1 784 . 1 1 62 62 THR N N 15 110.698 0.3 . . . . . A 110 THR N . 18856 1 785 . 1 1 63 63 LEU H H 1 8.753 0.02 . . . . . A 111 LEU H . 18856 1 786 . 1 1 63 63 LEU HA H 1 4.104 0.02 . . . . . A 111 LEU HA . 18856 1 787 . 1 1 63 63 LEU HB2 H 1 1.263 0.02 . . . . . A 111 LEU HB2 . 18856 1 788 . 1 1 63 63 LEU HB3 H 1 1.111 0.02 . . . . . A 111 LEU HB3 . 18856 1 789 . 1 1 63 63 LEU HG H 1 1.046 0.02 . . . . . A 111 LEU HG . 18856 1 790 . 1 1 63 63 LEU HD11 H 1 0.325 0.02 . . . . . A 111 LEU HD11 . 18856 1 791 . 1 1 63 63 LEU HD12 H 1 0.325 0.02 . . . . . A 111 LEU HD12 . 18856 1 792 . 1 1 63 63 LEU HD13 H 1 0.325 0.02 . . . . . A 111 LEU HD13 . 18856 1 793 . 1 1 63 63 LEU HD21 H 1 0.304 0.02 . . . . . A 111 LEU HD21 . 18856 1 794 . 1 1 63 63 LEU HD22 H 1 0.304 0.02 . . . . . A 111 LEU HD22 . 18856 1 795 . 1 1 63 63 LEU HD23 H 1 0.304 0.02 . . . . . A 111 LEU HD23 . 18856 1 796 . 1 1 63 63 LEU C C 13 175.551 0.3 . . . . . A 111 LEU C . 18856 1 797 . 1 1 63 63 LEU CA C 13 53.274 0.3 . . . . . A 111 LEU CA . 18856 1 798 . 1 1 63 63 LEU CB C 13 42.747 0.3 . . . . . A 111 LEU CB . 18856 1 799 . 1 1 63 63 LEU CG C 13 26.254 0.3 . . . . . A 111 LEU CG . 18856 1 800 . 1 1 63 63 LEU CD1 C 13 22.155 0.3 . . . . . A 111 LEU CD1 . 18856 1 801 . 1 1 63 63 LEU CD2 C 13 24.354 0.3 . . . . . A 111 LEU CD2 . 18856 1 802 . 1 1 63 63 LEU N N 15 123.034 0.3 . . . . . A 111 LEU N . 18856 1 803 . 1 1 64 64 ILE H H 1 7.442 0.02 . . . . . A 112 ILE H . 18856 1 804 . 1 1 64 64 ILE HA H 1 4.124 0.02 . . . . . A 112 ILE HA . 18856 1 805 . 1 1 64 64 ILE HB H 1 1.57 0.02 . . . . . A 112 ILE HB . 18856 1 806 . 1 1 64 64 ILE HG12 H 1 1.446 0.02 . . . . . A 112 ILE HG12 . 18856 1 807 . 1 1 64 64 ILE HG13 H 1 1.446 0.02 . . . . . A 112 ILE QG1 . 18856 1 808 . 1 1 64 64 ILE HG21 H 1 0.864 0.02 . . . . . A 112 ILE HG21 . 18856 1 809 . 1 1 64 64 ILE HG22 H 1 0.864 0.02 . . . . . A 112 ILE HG22 . 18856 1 810 . 1 1 64 64 ILE HG23 H 1 0.864 0.02 . . . . . A 112 ILE HG23 . 18856 1 811 . 1 1 64 64 ILE HD11 H 1 0.856 0.02 . . . . . A 112 ILE HD11 . 18856 1 812 . 1 1 64 64 ILE HD12 H 1 0.856 0.02 . . . . . A 112 ILE HD12 . 18856 1 813 . 1 1 64 64 ILE HD13 H 1 0.856 0.02 . . . . . A 112 ILE HD13 . 18856 1 814 . 1 1 64 64 ILE C C 13 174.318 0.3 . . . . . A 112 ILE C . 18856 1 815 . 1 1 64 64 ILE CA C 13 64.017 0.3 . . . . . A 112 ILE CA . 18856 1 816 . 1 1 64 64 ILE CB C 13 36.839 0.3 . . . . . A 112 ILE CB . 18856 1 817 . 1 1 64 64 ILE CG1 C 13 28.091 0.3 . . . . . A 112 ILE CG1 . 18856 1 818 . 1 1 64 64 ILE CG2 C 13 17.15 0.3 . . . . . A 112 ILE CG2 . 18856 1 819 . 1 1 64 64 ILE CD1 C 13 13.086 0.3 . . . . . A 112 ILE CD1 . 18856 1 820 . 1 1 64 64 ILE N N 15 118.846 0.3 . . . . . A 112 ILE N . 18856 1 821 . 1 1 65 65 GLY H H 1 9.116 0.02 . . . . . A 113 GLY H . 18856 1 822 . 1 1 65 65 GLY HA2 H 1 3.373 0.02 . . . . . A 113 GLY HA2 . 18856 1 823 . 1 1 65 65 GLY HA3 H 1 3.152 0.02 . . . . . A 113 GLY HA3 . 18856 1 824 . 1 1 65 65 GLY C C 13 177.127 0.3 . . . . . A 113 GLY C . 18856 1 825 . 1 1 65 65 GLY CA C 13 44.587 0.3 . . . . . A 113 GLY CA . 18856 1 826 . 1 1 65 65 GLY N N 15 113.909 0.3 . . . . . A 113 GLY N . 18856 1 827 . 1 1 66 66 ARG H H 1 7.629 0.02 . . . . . A 114 ARG H . 18856 1 828 . 1 1 66 66 ARG HA H 1 4.262 0.02 . . . . . A 114 ARG HA . 18856 1 829 . 1 1 66 66 ARG HB2 H 1 1.634 0.02 . . . . . A 114 ARG HB2 . 18856 1 830 . 1 1 66 66 ARG HB3 H 1 1.503 0.02 . . . . . A 114 ARG HB3 . 18856 1 831 . 1 1 66 66 ARG HG2 H 1 1.313 0.02 . . . . . A 114 ARG HG2 . 18856 1 832 . 1 1 66 66 ARG HG3 H 1 1.278 0.02 . . . . . A 114 ARG HG3 . 18856 1 833 . 1 1 66 66 ARG HD2 H 1 2.829 0.02 . . . . . A 114 ARG HD2 . 18856 1 834 . 1 1 66 66 ARG HD3 H 1 2.829 0.02 . . . . . A 114 ARG QD . 18856 1 835 . 1 1 66 66 ARG HE H 1 7.314 0.02 . . . . . A 114 ARG HE . 18856 1 836 . 1 1 66 66 ARG HH11 H 1 6.56 0.02 . . . . . A 114 ARG HH11 . 18856 1 837 . 1 1 66 66 ARG HH12 H 1 6.56 0.02 . . . . . A 114 ARG HH12 . 18856 1 838 . 1 1 66 66 ARG HH21 H 1 6.734 0.02 . . . . . A 114 ARG HH21 . 18856 1 839 . 1 1 66 66 ARG HH22 H 1 6.734 0.02 . . . . . A 114 ARG HH22 . 18856 1 840 . 1 1 66 66 ARG C C 13 175.263 0.3 . . . . . A 114 ARG C . 18856 1 841 . 1 1 66 66 ARG CA C 13 54.219 0.3 . . . . . A 114 ARG CA . 18856 1 842 . 1 1 66 66 ARG CB C 13 29.346 0.3 . . . . . A 114 ARG CB . 18856 1 843 . 1 1 66 66 ARG CG C 13 26.825 0.3 . . . . . A 114 ARG CG . 18856 1 844 . 1 1 66 66 ARG N N 15 118.621 0.3 . . . . . A 114 ARG N . 18856 1 845 . 1 1 66 66 ARG NE N 15 83.008 0.3 . . . . . A 114 ARG NE . 18856 1 846 . 1 1 67 67 SER H H 1 8.714 0.02 . . . . . A 115 SER H . 18856 1 847 . 1 1 67 67 SER HA H 1 4.571 0.02 . . . . . A 115 SER HA . 18856 1 848 . 1 1 67 67 SER HB2 H 1 3.918 0.02 . . . . . A 115 SER HB2 . 18856 1 849 . 1 1 67 67 SER HB3 H 1 3.76 0.02 . . . . . A 115 SER HB3 . 18856 1 850 . 1 1 67 67 SER HG H 1 7.221 0.02 . . . . . A 115 SER HG . 18856 1 851 . 1 1 67 67 SER C C 13 175.578 0.3 . . . . . A 115 SER C . 18856 1 852 . 1 1 67 67 SER CA C 13 57.347 0.3 . . . . . A 115 SER CA . 18856 1 853 . 1 1 67 67 SER CB C 13 64.319 0.3 . . . . . A 115 SER CB . 18856 1 854 . 1 1 67 67 SER N N 15 116.557 0.3 . . . . . A 115 SER N . 18856 1 855 . 1 1 68 68 LEU H H 1 8.438 0.02 . . . . . A 116 LEU H . 18856 1 856 . 1 1 68 68 LEU HA H 1 3.764 0.02 . . . . . A 116 LEU HA . 18856 1 857 . 1 1 68 68 LEU HB2 H 1 1.498 0.02 . . . . . A 116 LEU HB2 . 18856 1 858 . 1 1 68 68 LEU HB3 H 1 1.498 0.02 . . . . . A 116 LEU QB . 18856 1 859 . 1 1 68 68 LEU HG H 1 1.596 0.02 . . . . . A 116 LEU HG . 18856 1 860 . 1 1 68 68 LEU HD11 H 1 0.797 0.02 . . . . . A 116 LEU HD11 . 18856 1 861 . 1 1 68 68 LEU HD12 H 1 0.797 0.02 . . . . . A 116 LEU HD12 . 18856 1 862 . 1 1 68 68 LEU HD13 H 1 0.797 0.02 . . . . . A 116 LEU HD13 . 18856 1 863 . 1 1 68 68 LEU HD21 H 1 0.735 0.02 . . . . . A 116 LEU HD21 . 18856 1 864 . 1 1 68 68 LEU HD22 H 1 0.735 0.02 . . . . . A 116 LEU HD22 . 18856 1 865 . 1 1 68 68 LEU HD23 H 1 0.735 0.02 . . . . . A 116 LEU HD23 . 18856 1 866 . 1 1 68 68 LEU C C 13 173.402 0.3 . . . . . A 116 LEU C . 18856 1 867 . 1 1 68 68 LEU CA C 13 58.279 0.3 . . . . . A 116 LEU CA . 18856 1 868 . 1 1 68 68 LEU CB C 13 41.518 0.3 . . . . . A 116 LEU CB . 18856 1 869 . 1 1 68 68 LEU CG C 13 26.212 0.3 . . . . . A 116 LEU CG . 18856 1 870 . 1 1 68 68 LEU CD1 C 13 24.336 0.3 . . . . . A 116 LEU CD1 . 18856 1 871 . 1 1 68 68 LEU CD2 C 13 24.966 0.3 . . . . . A 116 LEU CD2 . 18856 1 872 . 1 1 68 68 LEU N N 15 124.17 0.3 . . . . . A 116 LEU N . 18856 1 873 . 1 1 69 69 ALA H H 1 8.491 0.02 . . . . . A 117 ALA H . 18856 1 874 . 1 1 69 69 ALA HA H 1 3.943 0.02 . . . . . A 117 ALA HA . 18856 1 875 . 1 1 69 69 ALA HB1 H 1 1.216 0.02 . . . . . A 117 ALA HB1 . 18856 1 876 . 1 1 69 69 ALA HB2 H 1 1.216 0.02 . . . . . A 117 ALA HB2 . 18856 1 877 . 1 1 69 69 ALA HB3 H 1 1.216 0.02 . . . . . A 117 ALA HB3 . 18856 1 878 . 1 1 69 69 ALA C C 13 173.01 0.3 . . . . . A 117 ALA C . 18856 1 879 . 1 1 69 69 ALA CA C 13 54.529 0.3 . . . . . A 117 ALA CA . 18856 1 880 . 1 1 69 69 ALA CB C 13 17.776 0.3 . . . . . A 117 ALA CB . 18856 1 881 . 1 1 69 69 ALA N N 15 117.646 0.3 . . . . . A 117 ALA N . 18856 1 882 . 1 1 70 70 GLU H H 1 7.185 0.02 . . . . . A 118 GLU H . 18856 1 883 . 1 1 70 70 GLU HA H 1 3.914 0.02 . . . . . A 118 GLU HA . 18856 1 884 . 1 1 70 70 GLU HB2 H 1 2.05 0.02 . . . . . A 118 GLU HB2 . 18856 1 885 . 1 1 70 70 GLU HB3 H 1 1.947 0.02 . . . . . A 118 GLU HB3 . 18856 1 886 . 1 1 70 70 GLU HG2 H 1 2.279 0.02 . . . . . A 118 GLU HG2 . 18856 1 887 . 1 1 70 70 GLU HG3 H 1 2.138 0.02 . . . . . A 118 GLU HG3 . 18856 1 888 . 1 1 70 70 GLU C C 13 174.071 0.3 . . . . . A 118 GLU C . 18856 1 889 . 1 1 70 70 GLU CA C 13 57.642 0.3 . . . . . A 118 GLU CA . 18856 1 890 . 1 1 70 70 GLU CB C 13 29.664 0.3 . . . . . A 118 GLU CB . 18856 1 891 . 1 1 70 70 GLU CG C 13 36.827 0.3 . . . . . A 118 GLU CG . 18856 1 892 . 1 1 70 70 GLU N N 15 114.327 0.3 . . . . . A 118 GLU N . 18856 1 893 . 1 1 71 71 LEU H H 1 7.203 0.02 . . . . . A 119 LEU H . 18856 1 894 . 1 1 71 71 LEU HA H 1 4.031 0.02 . . . . . A 119 LEU HA . 18856 1 895 . 1 1 71 71 LEU HB2 H 1 1.415 0.02 . . . . . A 119 LEU HB2 . 18856 1 896 . 1 1 71 71 LEU HB3 H 1 1.158 0.02 . . . . . A 119 LEU HB3 . 18856 1 897 . 1 1 71 71 LEU HG H 1 1.271 0.02 . . . . . A 119 LEU HG . 18856 1 898 . 1 1 71 71 LEU HD11 H 1 0.23 0.02 . . . . . A 119 LEU HD11 . 18856 1 899 . 1 1 71 71 LEU HD12 H 1 0.23 0.02 . . . . . A 119 LEU HD12 . 18856 1 900 . 1 1 71 71 LEU HD13 H 1 0.23 0.02 . . . . . A 119 LEU HD13 . 18856 1 901 . 1 1 71 71 LEU HD21 H 1 0.171 0.02 . . . . . A 119 LEU HD21 . 18856 1 902 . 1 1 71 71 LEU HD22 H 1 0.171 0.02 . . . . . A 119 LEU HD22 . 18856 1 903 . 1 1 71 71 LEU HD23 H 1 0.171 0.02 . . . . . A 119 LEU HD23 . 18856 1 904 . 1 1 71 71 LEU C C 13 173.633 0.3 . . . . . A 119 LEU C . 18856 1 905 . 1 1 71 71 LEU CA C 13 56.088 0.3 . . . . . A 119 LEU CA . 18856 1 906 . 1 1 71 71 LEU CB C 13 42.156 0.3 . . . . . A 119 LEU CB . 18856 1 907 . 1 1 71 71 LEU CG C 13 26.227 0.3 . . . . . A 119 LEU CG . 18856 1 908 . 1 1 71 71 LEU CD1 C 13 22.483 0.3 . . . . . A 119 LEU CD1 . 18856 1 909 . 1 1 71 71 LEU CD2 C 13 25.287 0.3 . . . . . A 119 LEU CD2 . 18856 1 910 . 1 1 71 71 LEU N N 15 118.941 0.3 . . . . . A 119 LEU N . 18856 1 911 . 1 1 72 72 SER H H 1 8.063 0.02 . . . . . A 120 SER H . 18856 1 912 . 1 1 72 72 SER HA H 1 4.468 0.02 . . . . . A 120 SER HA . 18856 1 913 . 1 1 72 72 SER HB2 H 1 3.703 0.02 . . . . . A 120 SER HB2 . 18856 1 914 . 1 1 72 72 SER HB3 H 1 3.399 0.02 . . . . . A 120 SER HB3 . 18856 1 915 . 1 1 72 72 SER HG H 1 6.328 0.02 . . . . . A 120 SER HG . 18856 1 916 . 1 1 72 72 SER C C 13 178.141 0.3 . . . . . A 120 SER C . 18856 1 917 . 1 1 72 72 SER CA C 13 57.183 0.3 . . . . . A 120 SER CA . 18856 1 918 . 1 1 72 72 SER CB C 13 62.333 0.3 . . . . . A 120 SER CB . 18856 1 919 . 1 1 72 72 SER N N 15 111.498 0.3 . . . . . A 120 SER N . 18856 1 920 . 1 1 73 73 GLU H H 1 9.351 0.02 . . . . . A 121 GLU H . 18856 1 921 . 1 1 73 73 GLU HA H 1 4.191 0.02 . . . . . A 121 GLU HA . 18856 1 922 . 1 1 73 73 GLU HB2 H 1 2.087 0.02 . . . . . A 121 GLU HB2 . 18856 1 923 . 1 1 73 73 GLU HB3 H 1 2.087 0.02 . . . . . A 121 GLU QB . 18856 1 924 . 1 1 73 73 GLU HG2 H 1 2.387 0.02 . . . . . A 121 GLU HG2 . 18856 1 925 . 1 1 73 73 GLU HG3 H 1 2.227 0.02 . . . . . A 121 GLU HG3 . 18856 1 926 . 1 1 73 73 GLU C C 13 174.777 0.3 . . . . . A 121 GLU C . 18856 1 927 . 1 1 73 73 GLU CA C 13 61.315 0.3 . . . . . A 121 GLU CA . 18856 1 928 . 1 1 73 73 GLU CB C 13 26.213 0.3 . . . . . A 121 GLU CB . 18856 1 929 . 1 1 73 73 GLU CG C 13 36.208 0.3 . . . . . A 121 GLU CG . 18856 1 930 . 1 1 73 73 GLU N N 15 131.328 0.3 . . . . . A 121 GLU N . 18856 1 931 . 1 1 74 74 PRO HA H 1 4.265 0.02 . . . . . A 122 PRO HA . 18856 1 932 . 1 1 74 74 PRO HB2 H 1 2.307 0.02 . . . . . A 122 PRO HB2 . 18856 1 933 . 1 1 74 74 PRO HB3 H 1 2.307 0.02 . . . . . A 122 PRO QB . 18856 1 934 . 1 1 74 74 PRO HG2 H 1 2.041 0.02 . . . . . A 122 PRO HG2 . 18856 1 935 . 1 1 74 74 PRO HG3 H 1 1.951 0.02 . . . . . A 122 PRO HG3 . 18856 1 936 . 1 1 74 74 PRO HD2 H 1 3.681 0.02 . . . . . A 122 PRO HD2 . 18856 1 937 . 1 1 74 74 PRO HD3 H 1 3.681 0.02 . . . . . A 122 PRO QD . 18856 1 938 . 1 1 74 74 PRO C C 13 170.954 0.3 . . . . . A 122 PRO C . 18856 1 939 . 1 1 74 74 PRO CA C 13 65.955 0.3 . . . . . A 122 PRO CA . 18856 1 940 . 1 1 74 74 PRO CB C 13 31.211 0.3 . . . . . A 122 PRO CB . 18856 1 941 . 1 1 74 74 PRO CG C 13 28.077 0.3 . . . . . A 122 PRO CG . 18856 1 942 . 1 1 74 74 PRO CD C 13 54.349 0.3 . . . . . A 122 PRO CD . 18856 1 943 . 1 1 75 75 LEU H H 1 7.741 0.02 . . . . . A 123 LEU H . 18856 1 944 . 1 1 75 75 LEU HA H 1 4.101 0.02 . . . . . A 123 LEU HA . 18856 1 945 . 1 1 75 75 LEU HB2 H 1 1.845 0.02 . . . . . A 123 LEU HB2 . 18856 1 946 . 1 1 75 75 LEU HB3 H 1 1.845 0.02 . . . . . A 123 LEU QB . 18856 1 947 . 1 1 75 75 LEU HG H 1 1.555 0.02 . . . . . A 123 LEU HG . 18856 1 948 . 1 1 75 75 LEU HD11 H 1 1.00 0.02 . . . . . A 123 LEU HD11 . 18856 1 949 . 1 1 75 75 LEU HD12 H 1 1.00 0.02 . . . . . A 123 LEU HD12 . 18856 1 950 . 1 1 75 75 LEU HD13 H 1 1.00 0.02 . . . . . A 123 LEU HD13 . 18856 1 951 . 1 1 75 75 LEU HD21 H 1 0.951 0.02 . . . . . A 123 LEU HD21 . 18856 1 952 . 1 1 75 75 LEU HD22 H 1 0.951 0.02 . . . . . A 123 LEU HD22 . 18856 1 953 . 1 1 75 75 LEU HD23 H 1 0.951 0.02 . . . . . A 123 LEU HD23 . 18856 1 954 . 1 1 75 75 LEU C C 13 173.554 0.3 . . . . . A 123 LEU C . 18856 1 955 . 1 1 75 75 LEU CA C 13 57.523 0.3 . . . . . A 123 LEU CA . 18856 1 956 . 1 1 75 75 LEU CB C 13 41.526 0.3 . . . . . A 123 LEU CB . 18856 1 957 . 1 1 75 75 LEU CG C 13 26.523 0.3 . . . . . A 123 LEU CG . 18856 1 958 . 1 1 75 75 LEU CD1 C 13 23.683 0.3 . . . . . A 123 LEU CD1 . 18856 1 959 . 1 1 75 75 LEU CD2 C 13 25.621 0.3 . . . . . A 123 LEU CD2 . 18856 1 960 . 1 1 75 75 LEU N N 15 119.401 0.3 . . . . . A 123 LEU N . 18856 1 961 . 1 1 76 76 ALA H H 1 8.113 0.02 . . . . . A 124 ALA H . 18856 1 962 . 1 1 76 76 ALA HA H 1 3.842 0.02 . . . . . A 124 ALA HA . 18856 1 963 . 1 1 76 76 ALA HB1 H 1 1.341 0.02 . . . . . A 124 ALA HB1 . 18856 1 964 . 1 1 76 76 ALA HB2 H 1 1.341 0.02 . . . . . A 124 ALA HB2 . 18856 1 965 . 1 1 76 76 ALA HB3 H 1 1.341 0.02 . . . . . A 124 ALA HB3 . 18856 1 966 . 1 1 76 76 ALA C C 13 171.575 0.3 . . . . . A 124 ALA C . 18856 1 967 . 1 1 76 76 ALA CA C 13 55.164 0.3 . . . . . A 124 ALA CA . 18856 1 968 . 1 1 76 76 ALA CB C 13 17.152 0.3 . . . . . A 124 ALA CB . 18856 1 969 . 1 1 76 76 ALA N N 15 121.144 0.3 . . . . . A 124 ALA N . 18856 1 970 . 1 1 77 77 ALA H H 1 8.391 0.02 . . . . . A 125 ALA H . 18856 1 971 . 1 1 77 77 ALA HA H 1 4.027 0.02 . . . . . A 125 ALA HA . 18856 1 972 . 1 1 77 77 ALA HB1 H 1 1.39 0.02 . . . . . A 125 ALA HB1 . 18856 1 973 . 1 1 77 77 ALA HB2 H 1 1.39 0.02 . . . . . A 125 ALA HB2 . 18856 1 974 . 1 1 77 77 ALA HB3 H 1 1.39 0.02 . . . . . A 125 ALA HB3 . 18856 1 975 . 1 1 77 77 ALA C C 13 171.323 0.3 . . . . . A 125 ALA C . 18856 1 976 . 1 1 77 77 ALA CA C 13 55.027 0.3 . . . . . A 125 ALA CA . 18856 1 977 . 1 1 77 77 ALA CB C 13 17.78 0.3 . . . . . A 125 ALA CB . 18856 1 978 . 1 1 77 77 ALA N N 15 120.159 0.3 . . . . . A 125 ALA N . 18856 1 979 . 1 1 78 78 PHE H H 1 7.898 0.02 . . . . . A 126 PHE H . 18856 1 980 . 1 1 78 78 PHE HA H 1 4.35 0.02 . . . . . A 126 PHE HA . 18856 1 981 . 1 1 78 78 PHE HB2 H 1 3.321 0.02 . . . . . A 126 PHE HB2 . 18856 1 982 . 1 1 78 78 PHE HB3 H 1 3.067 0.02 . . . . . A 126 PHE HB3 . 18856 1 983 . 1 1 78 78 PHE HD1 H 1 6.974 0.02 . . . . . A 126 PHE HD1 . 18856 1 984 . 1 1 78 78 PHE HD2 H 1 6.974 0.02 . . . . . A 126 PHE HD2 . 18856 1 985 . 1 1 78 78 PHE HE1 H 1 6.946 0.02 . . . . . A 126 PHE HE1 . 18856 1 986 . 1 1 78 78 PHE HE2 H 1 6.946 0.02 . . . . . A 126 PHE HE2 . 18856 1 987 . 1 1 78 78 PHE HZ H 1 7.054 0.02 . . . . . A 126 PHE HZ . 18856 1 988 . 1 1 78 78 PHE C C 13 172.34 0.3 . . . . . A 126 PHE C . 18856 1 989 . 1 1 78 78 PHE CA C 13 59.688 0.3 . . . . . A 126 PHE CA . 18856 1 990 . 1 1 78 78 PHE CB C 13 38.529 0.3 . . . . . A 126 PHE CB . 18856 1 991 . 1 1 78 78 PHE CD2 C 13 128.569 0.3 . . . . . A 126 PHE CD2 . 18856 1 992 . 1 1 78 78 PHE CE2 C 13 128.263 0.3 . . . . . A 126 PHE CE2 . 18856 1 993 . 1 1 78 78 PHE CZ C 13 127.039 0.3 . . . . . A 126 PHE CZ . 18856 1 994 . 1 1 78 78 PHE N N 15 120.312 0.3 . . . . . A 126 PHE N . 18856 1 995 . 1 1 79 79 VAL H H 1 8.215 0.02 . . . . . A 127 VAL H . 18856 1 996 . 1 1 79 79 VAL HA H 1 3.857 0.02 . . . . . A 127 VAL HA . 18856 1 997 . 1 1 79 79 VAL HB H 1 1.917 0.02 . . . . . A 127 VAL HB . 18856 1 998 . 1 1 79 79 VAL HG11 H 1 0.83 0.02 . . . . . A 127 VAL HG11 . 18856 1 999 . 1 1 79 79 VAL HG12 H 1 0.83 0.02 . . . . . A 127 VAL HG12 . 18856 1 1000 . 1 1 79 79 VAL HG13 H 1 0.83 0.02 . . . . . A 127 VAL HG13 . 18856 1 1001 . 1 1 79 79 VAL HG21 H 1 0.638 0.02 . . . . . A 127 VAL HG21 . 18856 1 1002 . 1 1 79 79 VAL HG22 H 1 0.638 0.02 . . . . . A 127 VAL HG22 . 18856 1 1003 . 1 1 79 79 VAL HG23 H 1 0.638 0.02 . . . . . A 127 VAL HG23 . 18856 1 1004 . 1 1 79 79 VAL C C 13 173.636 0.3 . . . . . A 127 VAL C . 18856 1 1005 . 1 1 79 79 VAL CA C 13 67.314 0.3 . . . . . A 127 VAL CA . 18856 1 1006 . 1 1 79 79 VAL CB C 13 31.524 0.3 . . . . . A 127 VAL CB . 18856 1 1007 . 1 1 79 79 VAL CG1 C 13 24.029 0.3 . . . . . A 127 VAL CG1 . 18856 1 1008 . 1 1 79 79 VAL CG2 C 13 20.897 0.3 . . . . . A 127 VAL CG2 . 18856 1 1009 . 1 1 79 79 VAL N N 15 121.151 0.3 . . . . . A 127 VAL N . 18856 1 1010 . 1 1 80 80 LYS H H 1 8.061 0.02 . . . . . A 128 LYS H . 18856 1 1011 . 1 1 80 80 LYS HA H 1 4.003 0.02 . . . . . A 128 LYS HA . 18856 1 1012 . 1 1 80 80 LYS HB2 H 1 1.822 0.02 . . . . . A 128 LYS HB2 . 18856 1 1013 . 1 1 80 80 LYS HB3 H 1 1.734 0.02 . . . . . A 128 LYS HB3 . 18856 1 1014 . 1 1 80 80 LYS HG2 H 1 1.404 0.02 . . . . . A 128 LYS HG2 . 18856 1 1015 . 1 1 80 80 LYS HG3 H 1 1.404 0.02 . . . . . A 128 LYS QG . 18856 1 1016 . 1 1 80 80 LYS HD2 H 1 1.569 0.02 . . . . . A 128 LYS HD2 . 18856 1 1017 . 1 1 80 80 LYS HD3 H 1 1.569 0.02 . . . . . A 128 LYS QD . 18856 1 1018 . 1 1 80 80 LYS HE2 H 1 2.856 0.02 . . . . . A 128 LYS HE2 . 18856 1 1019 . 1 1 80 80 LYS HE3 H 1 2.856 0.02 . . . . . A 128 LYS QE . 18856 1 1020 . 1 1 80 80 LYS C C 13 173.013 0.3 . . . . . A 128 LYS C . 18856 1 1021 . 1 1 80 80 LYS CA C 13 58.747 0.3 . . . . . A 128 LYS CA . 18856 1 1022 . 1 1 80 80 LYS CB C 13 32.781 0.3 . . . . . A 128 LYS CB . 18856 1 1023 . 1 1 80 80 LYS CG C 13 24.342 0.3 . . . . . A 128 LYS CG . 18856 1 1024 . 1 1 80 80 LYS CD C 13 28.093 0.3 . . . . . A 128 LYS CD . 18856 1 1025 . 1 1 80 80 LYS N N 15 117.805 0.3 . . . . . A 128 LYS N . 18856 1 1026 . 1 1 81 81 LYS H H 1 8.309 0.02 . . . . . A 129 LYS H . 18856 1 1027 . 1 1 81 81 LYS HA H 1 4.409 0.02 . . . . . A 129 LYS HA . 18856 1 1028 . 1 1 81 81 LYS HB2 H 1 1.808 0.02 . . . . . A 129 LYS HB2 . 18856 1 1029 . 1 1 81 81 LYS HB3 H 1 1.774 0.02 . . . . . A 129 LYS HB3 . 18856 1 1030 . 1 1 81 81 LYS HG2 H 1 1.316 0.02 . . . . . A 129 LYS HG2 . 18856 1 1031 . 1 1 81 81 LYS HG3 H 1 1.316 0.02 . . . . . A 129 LYS QG . 18856 1 1032 . 1 1 81 81 LYS HD2 H 1 1.582 0.02 . . . . . A 129 LYS HD2 . 18856 1 1033 . 1 1 81 81 LYS HD3 H 1 1.582 0.02 . . . . . A 129 LYS QD . 18856 1 1034 . 1 1 81 81 LYS HE2 H 1 2.849 0.02 . . . . . A 129 LYS HE2 . 18856 1 1035 . 1 1 81 81 LYS HE3 H 1 2.849 0.02 . . . . . A 129 LYS QE . 18856 1 1036 . 1 1 81 81 LYS C C 13 173.96 0.3 . . . . . A 129 LYS C . 18856 1 1037 . 1 1 81 81 LYS CA C 13 55.931 0.3 . . . . . A 129 LYS CA . 18856 1 1038 . 1 1 81 81 LYS CB C 13 33.711 0.3 . . . . . A 129 LYS CB . 18856 1 1039 . 1 1 81 81 LYS CG C 13 24.655 0.3 . . . . . A 129 LYS CG . 18856 1 1040 . 1 1 81 81 LYS CD C 13 29.022 0.3 . . . . . A 129 LYS CD . 18856 1 1041 . 1 1 81 81 LYS N N 15 114.806 0.3 . . . . . A 129 LYS N . 18856 1 1042 . 1 1 82 82 GLY H H 1 7.566 0.02 . . . . . A 130 GLY H . 18856 1 1043 . 1 1 82 82 GLY HA2 H 1 3.972 0.02 . . . . . A 130 GLY HA2 . 18856 1 1044 . 1 1 82 82 GLY HA3 H 1 3.699 0.02 . . . . . A 130 GLY HA3 . 18856 1 1045 . 1 1 82 82 GLY C C 13 177.883 0.3 . . . . . A 130 GLY C . 18856 1 1046 . 1 1 82 82 GLY CA C 13 45.951 0.3 . . . . . A 130 GLY CA . 18856 1 1047 . 1 1 82 82 GLY N N 15 108.257 0.3 . . . . . A 130 GLY N . 18856 1 1048 . 1 1 83 83 LYS H H 1 8.601 0.02 . . . . . A 131 LYS H . 18856 1 1049 . 1 1 83 83 LYS HA H 1 4.346 0.02 . . . . . A 131 LYS HA . 18856 1 1050 . 1 1 83 83 LYS HB2 H 1 1.955 0.02 . . . . . A 131 LYS HB2 . 18856 1 1051 . 1 1 83 83 LYS HB3 H 1 1.688 0.02 . . . . . A 131 LYS HB3 . 18856 1 1052 . 1 1 83 83 LYS HG2 H 1 1.306 0.02 . . . . . A 131 LYS HG2 . 18856 1 1053 . 1 1 83 83 LYS HG3 H 1 1.306 0.02 . . . . . A 131 LYS QG . 18856 1 1054 . 1 1 83 83 LYS HD2 H 1 1.453 0.02 . . . . . A 131 LYS HD2 . 18856 1 1055 . 1 1 83 83 LYS HD3 H 1 1.363 0.02 . . . . . A 131 LYS HD3 . 18856 1 1056 . 1 1 83 83 LYS HE2 H 1 2.862 0.02 . . . . . A 131 LYS HE2 . 18856 1 1057 . 1 1 83 83 LYS HE3 H 1 2.862 0.02 . . . . . A 131 LYS QE . 18856 1 1058 . 1 1 83 83 LYS C C 13 174.687 0.3 . . . . . A 131 LYS C . 18856 1 1059 . 1 1 83 83 LYS CA C 13 55.933 0.3 . . . . . A 131 LYS CA . 18856 1 1060 . 1 1 83 83 LYS CB C 13 33.088 0.3 . . . . . A 131 LYS CB . 18856 1 1061 . 1 1 83 83 LYS CG C 13 24.338 0.3 . . . . . A 131 LYS CG . 18856 1 1062 . 1 1 83 83 LYS CD C 13 24.64 0.3 . . . . . A 131 LYS CD . 18856 1 1063 . 1 1 83 83 LYS N N 15 118.403 0.3 . . . . . A 131 LYS N . 18856 1 1064 . 1 1 84 84 THR H H 1 7.51 0.02 . . . . . A 132 THR H . 18856 1 1065 . 1 1 84 84 THR HA H 1 4.775 0.02 . . . . . A 132 THR HA . 18856 1 1066 . 1 1 84 84 THR HB H 1 4.543 0.02 . . . . . A 132 THR HB . 18856 1 1067 . 1 1 84 84 THR HG21 H 1 1.219 0.02 . . . . . A 132 THR HG21 . 18856 1 1068 . 1 1 84 84 THR HG22 H 1 1.219 0.02 . . . . . A 132 THR HG22 . 18856 1 1069 . 1 1 84 84 THR HG23 H 1 1.219 0.02 . . . . . A 132 THR HG23 . 18856 1 1070 . 1 1 84 84 THR C C 13 177.198 0.3 . . . . . A 132 THR C . 18856 1 1071 . 1 1 84 84 THR CA C 13 59.7 0.3 . . . . . A 132 THR CA . 18856 1 1072 . 1 1 84 84 THR CB C 13 70.737 0.3 . . . . . A 132 THR CB . 18856 1 1073 . 1 1 84 84 THR CG2 C 13 21.685 0.3 . . . . . A 132 THR CG2 . 18856 1 1074 . 1 1 84 84 THR N N 15 109.896 0.3 . . . . . A 132 THR N . 18856 1 1075 . 1 1 85 85 ASP H H 1 8.671 0.02 . . . . . A 133 ASP H . 18856 1 1076 . 1 1 85 85 ASP HA H 1 4.581 0.02 . . . . . A 133 ASP HA . 18856 1 1077 . 1 1 85 85 ASP HB2 H 1 3.125 0.02 . . . . . A 133 ASP HB2 . 18856 1 1078 . 1 1 85 85 ASP HB3 H 1 2.685 0.02 . . . . . A 133 ASP HB3 . 18856 1 1079 . 1 1 85 85 ASP C C 13 176.721 0.3 . . . . . A 133 ASP C . 18856 1 1080 . 1 1 85 85 ASP CA C 13 54.534 0.3 . . . . . A 133 ASP CA . 18856 1 1081 . 1 1 85 85 ASP CB C 13 41.242 0.3 . . . . . A 133 ASP CB . 18856 1 1082 . 1 1 85 85 ASP N N 15 118.747 0.3 . . . . . A 133 ASP N . 18856 1 1083 . 1 1 86 86 GLU H H 1 7.44 0.02 . . . . . A 134 GLU H . 18856 1 1084 . 1 1 86 86 GLU HA H 1 5.786 0.02 . . . . . A 134 GLU HA . 18856 1 1085 . 1 1 86 86 GLU HB2 H 1 1.787 0.02 . . . . . A 134 GLU HB2 . 18856 1 1086 . 1 1 86 86 GLU HB3 H 1 1.787 0.02 . . . . . A 134 GLU QB . 18856 1 1087 . 1 1 86 86 GLU HG2 H 1 2.006 0.02 . . . . . A 134 GLU HG2 . 18856 1 1088 . 1 1 86 86 GLU HG3 H 1 1.953 0.02 . . . . . A 134 GLU HG3 . 18856 1 1089 . 1 1 86 86 GLU C C 13 176.579 0.3 . . . . . A 134 GLU C . 18856 1 1090 . 1 1 86 86 GLU CA C 13 54.056 0.3 . . . . . A 134 GLU CA . 18856 1 1091 . 1 1 86 86 GLU CB C 13 33.717 0.3 . . . . . A 134 GLU CB . 18856 1 1092 . 1 1 86 86 GLU CG C 13 35.588 0.3 . . . . . A 134 GLU CG . 18856 1 1093 . 1 1 86 86 GLU N N 15 117.141 0.3 . . . . . A 134 GLU N . 18856 1 1094 . 1 1 87 87 GLU H H 1 8.446 0.02 . . . . . A 135 GLU H . 18856 1 1095 . 1 1 87 87 GLU HA H 1 4.278 0.02 . . . . . A 135 GLU HA . 18856 1 1096 . 1 1 87 87 GLU HB2 H 1 0.625 0.02 . . . . . A 135 GLU HB2 . 18856 1 1097 . 1 1 87 87 GLU HB3 H 1 0.625 0.02 . . . . . A 135 GLU QB . 18856 1 1098 . 1 1 87 87 GLU HG2 H 1 1.651 0.02 . . . . . A 135 GLU HG2 . 18856 1 1099 . 1 1 87 87 GLU HG3 H 1 1.469 0.02 . . . . . A 135 GLU HG3 . 18856 1 1100 . 1 1 87 87 GLU C C 13 177.954 0.3 . . . . . A 135 GLU C . 18856 1 1101 . 1 1 87 87 GLU CA C 13 54.672 0.3 . . . . . A 135 GLU CA . 18856 1 1102 . 1 1 87 87 GLU CB C 13 32.437 0.3 . . . . . A 135 GLU CB . 18856 1 1103 . 1 1 87 87 GLU CG C 13 35.27 0.3 . . . . . A 135 GLU CG . 18856 1 1104 . 1 1 87 87 GLU N N 15 123.978 0.3 . . . . . A 135 GLU N . 18856 1 1105 . 1 1 88 88 ILE H H 1 8.557 0.02 . . . . . A 136 ILE H . 18856 1 1106 . 1 1 88 88 ILE HA H 1 4.845 0.02 . . . . . A 136 ILE HA . 18856 1 1107 . 1 1 88 88 ILE HB H 1 1.595 0.02 . . . . . A 136 ILE HB . 18856 1 1108 . 1 1 88 88 ILE HG12 H 1 1.408 0.02 . . . . . A 136 ILE HG12 . 18856 1 1109 . 1 1 88 88 ILE HG13 H 1 0.917 0.02 . . . . . A 136 ILE HG13 . 18856 1 1110 . 1 1 88 88 ILE HG21 H 1 0.638 0.02 . . . . . A 136 ILE HG21 . 18856 1 1111 . 1 1 88 88 ILE HG22 H 1 0.638 0.02 . . . . . A 136 ILE HG22 . 18856 1 1112 . 1 1 88 88 ILE HG23 H 1 0.638 0.02 . . . . . A 136 ILE HG23 . 18856 1 1113 . 1 1 88 88 ILE HD11 H 1 0.685 0.02 . . . . . A 136 ILE HD11 . 18856 1 1114 . 1 1 88 88 ILE HD12 H 1 0.685 0.02 . . . . . A 136 ILE HD12 . 18856 1 1115 . 1 1 88 88 ILE HD13 H 1 0.685 0.02 . . . . . A 136 ILE HD13 . 18856 1 1116 . 1 1 88 88 ILE C C 13 175.277 0.3 . . . . . A 136 ILE C . 18856 1 1117 . 1 1 88 88 ILE CA C 13 59.666 0.3 . . . . . A 136 ILE CA . 18856 1 1118 . 1 1 88 88 ILE CB C 13 37.779 0.3 . . . . . A 136 ILE CB . 18856 1 1119 . 1 1 88 88 ILE CG1 C 13 27.454 0.3 . . . . . A 136 ILE CG1 . 18856 1 1120 . 1 1 88 88 ILE CG2 C 13 17.153 0.3 . . . . . A 136 ILE CG2 . 18856 1 1121 . 1 1 88 88 ILE CD1 C 13 11.839 0.3 . . . . . A 136 ILE CD1 . 18856 1 1122 . 1 1 88 88 ILE N N 15 123.4 0.3 . . . . . A 136 ILE N . 18856 1 1123 . 1 1 89 89 ILE H H 1 9.028 0.02 . . . . . A 137 ILE H . 18856 1 1124 . 1 1 89 89 ILE HA H 1 4.459 0.02 . . . . . A 137 ILE HA . 18856 1 1125 . 1 1 89 89 ILE HB H 1 1.636 0.02 . . . . . A 137 ILE HB . 18856 1 1126 . 1 1 89 89 ILE HG12 H 1 1.186 0.02 . . . . . A 137 ILE HG12 . 18856 1 1127 . 1 1 89 89 ILE HG13 H 1 1.186 0.02 . . . . . A 137 ILE QG1 . 18856 1 1128 . 1 1 89 89 ILE HG21 H 1 0.631 0.02 . . . . . A 137 ILE HG21 . 18856 1 1129 . 1 1 89 89 ILE HG22 H 1 0.631 0.02 . . . . . A 137 ILE HG22 . 18856 1 1130 . 1 1 89 89 ILE HG23 H 1 0.631 0.02 . . . . . A 137 ILE HG23 . 18856 1 1131 . 1 1 89 89 ILE HD11 H 1 0.658 0.02 . . . . . A 137 ILE HD11 . 18856 1 1132 . 1 1 89 89 ILE HD12 H 1 0.658 0.02 . . . . . A 137 ILE HD12 . 18856 1 1133 . 1 1 89 89 ILE HD13 H 1 0.658 0.02 . . . . . A 137 ILE HD13 . 18856 1 1134 . 1 1 89 89 ILE C C 13 178.213 0.3 . . . . . A 137 ILE C . 18856 1 1135 . 1 1 89 89 ILE CA C 13 58.419 0.3 . . . . . A 137 ILE CA . 18856 1 1136 . 1 1 89 89 ILE CB C 13 41.482 0.3 . . . . . A 137 ILE CB . 18856 1 1137 . 1 1 89 89 ILE CG1 C 13 26.526 0.3 . . . . . A 137 ILE CG1 . 18856 1 1138 . 1 1 89 89 ILE CG2 C 13 16.835 0.3 . . . . . A 137 ILE CG2 . 18856 1 1139 . 1 1 89 89 ILE CD1 C 13 13.395 0.3 . . . . . A 137 ILE CD1 . 18856 1 1140 . 1 1 89 89 ILE N N 15 124.147 0.3 . . . . . A 137 ILE N . 18856 1 1141 . 1 1 90 90 GLU H H 1 8.17 0.02 . . . . . A 138 GLU H . 18856 1 1142 . 1 1 90 90 GLU HA H 1 4.842 0.02 . . . . . A 138 GLU HA . 18856 1 1143 . 1 1 90 90 GLU HB2 H 1 1.788 0.02 . . . . . A 138 GLU HB2 . 18856 1 1144 . 1 1 90 90 GLU HB3 H 1 1.708 0.02 . . . . . A 138 GLU HB3 . 18856 1 1145 . 1 1 90 90 GLU HG2 H 1 1.934 0.02 . . . . . A 138 GLU HG2 . 18856 1 1146 . 1 1 90 90 GLU HG3 H 1 1.767 0.02 . . . . . A 138 GLU HG3 . 18856 1 1147 . 1 1 90 90 GLU C C 13 175.886 0.3 . . . . . A 138 GLU C . 18856 1 1148 . 1 1 90 90 GLU CA C 13 54.813 0.3 . . . . . A 138 GLU CA . 18856 1 1149 . 1 1 90 90 GLU CB C 13 30.593 0.3 . . . . . A 138 GLU CB . 18856 1 1150 . 1 1 90 90 GLU CG C 13 36.21 0.3 . . . . . A 138 GLU CG . 18856 1 1151 . 1 1 90 90 GLU N N 15 123.131 0.3 . . . . . A 138 GLU N . 18856 1 1152 . 1 1 91 91 LEU H H 1 8.78 0.02 . . . . . A 139 LEU H . 18856 1 1153 . 1 1 91 91 LEU HA H 1 4.475 0.02 . . . . . A 139 LEU HA . 18856 1 1154 . 1 1 91 91 LEU HB2 H 1 1.2 0.02 . . . . . A 139 LEU HB2 . 18856 1 1155 . 1 1 91 91 LEU HB3 H 1 1.048 0.02 . . . . . A 139 LEU HB3 . 18856 1 1156 . 1 1 91 91 LEU HG H 1 1.076 0.02 . . . . . A 139 LEU HG . 18856 1 1157 . 1 1 91 91 LEU HD11 H 1 0.425 0.02 . . . . . A 139 LEU HD11 . 18856 1 1158 . 1 1 91 91 LEU HD12 H 1 0.425 0.02 . . . . . A 139 LEU HD12 . 18856 1 1159 . 1 1 91 91 LEU HD13 H 1 0.425 0.02 . . . . . A 139 LEU HD13 . 18856 1 1160 . 1 1 91 91 LEU HD21 H 1 0.16 0.02 . . . . . A 139 LEU HD21 . 18856 1 1161 . 1 1 91 91 LEU HD22 H 1 0.16 0.02 . . . . . A 139 LEU HD22 . 18856 1 1162 . 1 1 91 91 LEU HD23 H 1 0.16 0.02 . . . . . A 139 LEU HD23 . 18856 1 1163 . 1 1 91 91 LEU C C 13 175.572 0.3 . . . . . A 139 LEU C . 18856 1 1164 . 1 1 91 91 LEU CA C 13 53.436 0.3 . . . . . A 139 LEU CA . 18856 1 1165 . 1 1 91 91 LEU CB C 13 44.018 0.3 . . . . . A 139 LEU CB . 18856 1 1166 . 1 1 91 91 LEU CG C 13 26.507 0.3 . . . . . A 139 LEU CG . 18856 1 1167 . 1 1 91 91 LEU CD1 C 13 24.326 0.3 . . . . . A 139 LEU CD1 . 18856 1 1168 . 1 1 91 91 LEU CD2 C 13 24.34 0.3 . . . . . A 139 LEU CD2 . 18856 1 1169 . 1 1 91 91 LEU N N 15 127.065 0.3 . . . . . A 139 LEU N . 18856 1 1170 . 1 1 92 92 ASN H H 1 9.402 0.02 . . . . . A 140 ASN H . 18856 1 1171 . 1 1 92 92 ASN HA H 1 4.211 0.02 . . . . . A 140 ASN HA . 18856 1 1172 . 1 1 92 92 ASN HB2 H 1 2.774 0.02 . . . . . A 140 ASN HB2 . 18856 1 1173 . 1 1 92 92 ASN HB3 H 1 2.441 0.02 . . . . . A 140 ASN HB3 . 18856 1 1174 . 1 1 92 92 ASN HD21 H 1 7.218 0.02 . . . . . A 140 ASN HD21 . 18856 1 1175 . 1 1 92 92 ASN HD22 H 1 6.879 0.02 . . . . . A 140 ASN HD22 . 18856 1 1176 . 1 1 92 92 ASN C C 13 176.196 0.3 . . . . . A 140 ASN C . 18856 1 1177 . 1 1 92 92 ASN CA C 13 53.93 0.3 . . . . . A 140 ASN CA . 18856 1 1178 . 1 1 92 92 ASN CB C 13 37.465 0.3 . . . . . A 140 ASN CB . 18856 1 1179 . 1 1 92 92 ASN N N 15 124.873 0.3 . . . . . A 140 ASN N . 18856 1 1180 . 1 1 92 92 ASN ND2 N 15 112.65 0.3 . . . . . A 140 ASN ND2 . 18856 1 1181 . 1 1 93 93 GLY H H 1 8.627 0.02 . . . . . A 141 GLY H . 18856 1 1182 . 1 1 93 93 GLY HA2 H 1 4.026 0.02 . . . . . A 141 GLY HA2 . 18856 1 1183 . 1 1 93 93 GLY HA3 H 1 3.472 0.02 . . . . . A 141 GLY HA3 . 18856 1 1184 . 1 1 93 93 GLY C C 13 177.768 0.3 . . . . . A 141 GLY C . 18856 1 1185 . 1 1 93 93 GLY CA C 13 45.15 0.3 . . . . . A 141 GLY CA . 18856 1 1186 . 1 1 93 93 GLY N N 15 103.812 0.3 . . . . . A 141 GLY N . 18856 1 1187 . 1 1 94 94 LYS H H 1 7.646 0.02 . . . . . A 142 LYS H . 18856 1 1188 . 1 1 94 94 LYS HA H 1 4.53 0.02 . . . . . A 142 LYS HA . 18856 1 1189 . 1 1 94 94 LYS HB2 H 1 1.699 0.02 . . . . . A 142 LYS HB2 . 18856 1 1190 . 1 1 94 94 LYS HB3 H 1 1.595 0.02 . . . . . A 142 LYS HB3 . 18856 1 1191 . 1 1 94 94 LYS HG2 H 1 1.292 0.02 . . . . . A 142 LYS HG2 . 18856 1 1192 . 1 1 94 94 LYS HG3 H 1 1.292 0.02 . . . . . A 142 LYS QG . 18856 1 1193 . 1 1 94 94 LYS HD2 H 1 1.608 0.02 . . . . . A 142 LYS HD2 . 18856 1 1194 . 1 1 94 94 LYS HD3 H 1 1.608 0.02 . . . . . A 142 LYS QD . 18856 1 1195 . 1 1 94 94 LYS HE2 H 1 2.877 0.02 . . . . . A 142 LYS HE2 . 18856 1 1196 . 1 1 94 94 LYS HE3 H 1 2.877 0.02 . . . . . A 142 LYS QE . 18856 1 1197 . 1 1 94 94 LYS C C 13 176.264 0.3 . . . . . A 142 LYS C . 18856 1 1198 . 1 1 94 94 LYS CA C 13 54.161 0.3 . . . . . A 142 LYS CA . 18856 1 1199 . 1 1 94 94 LYS CB C 13 34.334 0.3 . . . . . A 142 LYS CB . 18856 1 1200 . 1 1 94 94 LYS CG C 13 24.339 0.3 . . . . . A 142 LYS CG . 18856 1 1201 . 1 1 94 94 LYS CD C 13 28.715 0.3 . . . . . A 142 LYS CD . 18856 1 1202 . 1 1 94 94 LYS N N 15 121.425 0.3 . . . . . A 142 LYS N . 18856 1 1203 . 1 1 95 95 GLN H H 1 8.588 0.02 . . . . . A 143 GLN H . 18856 1 1204 . 1 1 95 95 GLN HA H 1 4.591 0.02 . . . . . A 143 GLN HA . 18856 1 1205 . 1 1 95 95 GLN HB2 H 1 1.838 0.02 . . . . . A 143 GLN HB2 . 18856 1 1206 . 1 1 95 95 GLN HB3 H 1 1.684 0.02 . . . . . A 143 GLN HB3 . 18856 1 1207 . 1 1 95 95 GLN HG2 H 1 2.263 0.02 . . . . . A 143 GLN HG2 . 18856 1 1208 . 1 1 95 95 GLN HG3 H 1 2.039 0.02 . . . . . A 143 GLN HG3 . 18856 1 1209 . 1 1 95 95 GLN HE21 H 1 7.381 0.02 . . . . . A 143 GLN HE21 . 18856 1 1210 . 1 1 95 95 GLN HE22 H 1 6.594 0.02 . . . . . A 143 GLN HE22 . 18856 1 1211 . 1 1 95 95 GLN C C 13 176.634 0.3 . . . . . A 143 GLN C . 18856 1 1212 . 1 1 95 95 GLN CA C 13 55.477 0.3 . . . . . A 143 GLN CA . 18856 1 1213 . 1 1 95 95 GLN CB C 13 29.327 0.3 . . . . . A 143 GLN CB . 18856 1 1214 . 1 1 95 95 GLN CG C 13 33.716 0.3 . . . . . A 143 GLN CG . 18856 1 1215 . 1 1 95 95 GLN N N 15 122.931 0.3 . . . . . A 143 GLN N . 18856 1 1216 . 1 1 95 95 GLN NE2 N 15 110.901 0.3 . . . . . A 143 GLN NE2 . 18856 1 1217 . 1 1 96 96 LEU H H 1 8.836 0.02 . . . . . A 144 LEU H . 18856 1 1218 . 1 1 96 96 LEU HA H 1 5.07 0.02 . . . . . A 144 LEU HA . 18856 1 1219 . 1 1 96 96 LEU HB2 H 1 1.36 0.02 . . . . . A 144 LEU HB2 . 18856 1 1220 . 1 1 96 96 LEU HB3 H 1 1.36 0.02 . . . . . A 144 LEU QB . 18856 1 1221 . 1 1 96 96 LEU HG H 1 1.567 0.02 . . . . . A 144 LEU HG . 18856 1 1222 . 1 1 96 96 LEU HD11 H 1 0.827 0.02 . . . . . A 144 LEU HD11 . 18856 1 1223 . 1 1 96 96 LEU HD12 H 1 0.827 0.02 . . . . . A 144 LEU HD12 . 18856 1 1224 . 1 1 96 96 LEU HD13 H 1 0.827 0.02 . . . . . A 144 LEU HD13 . 18856 1 1225 . 1 1 96 96 LEU HD21 H 1 0.706 0.02 . . . . . A 144 LEU HD21 . 18856 1 1226 . 1 1 96 96 LEU HD22 H 1 0.706 0.02 . . . . . A 144 LEU HD22 . 18856 1 1227 . 1 1 96 96 LEU HD23 H 1 0.706 0.02 . . . . . A 144 LEU HD23 . 18856 1 1228 . 1 1 96 96 LEU C C 13 176.567 0.3 . . . . . A 144 LEU C . 18856 1 1229 . 1 1 96 96 LEU CA C 13 53.111 0.3 . . . . . A 144 LEU CA . 18856 1 1230 . 1 1 96 96 LEU CB C 13 45.299 0.3 . . . . . A 144 LEU CB . 18856 1 1231 . 1 1 96 96 LEU CG C 13 26.528 0.3 . . . . . A 144 LEU CG . 18856 1 1232 . 1 1 96 96 LEU CD1 C 13 24.316 0.3 . . . . . A 144 LEU CD1 . 18856 1 1233 . 1 1 96 96 LEU CD2 C 13 26.826 0.3 . . . . . A 144 LEU CD2 . 18856 1 1234 . 1 1 96 96 LEU N N 15 123.047 0.3 . . . . . A 144 LEU N . 18856 1 1235 . 1 1 97 97 LYS H H 1 8.948 0.02 . . . . . A 145 LYS H . 18856 1 1236 . 1 1 97 97 LYS HA H 1 4.711 0.02 . . . . . A 145 LYS HA . 18856 1 1237 . 1 1 97 97 LYS HB2 H 1 1.524 0.02 . . . . . A 145 LYS HB2 . 18856 1 1238 . 1 1 97 97 LYS HB3 H 1 1.524 0.02 . . . . . A 145 LYS QB . 18856 1 1239 . 1 1 97 97 LYS HG2 H 1 1.379 0.02 . . . . . A 145 LYS HG2 . 18856 1 1240 . 1 1 97 97 LYS HG3 H 1 1.379 0.02 . . . . . A 145 LYS QG . 18856 1 1241 . 1 1 97 97 LYS HD2 H 1 1.41 0.02 . . . . . A 145 LYS HD2 . 18856 1 1242 . 1 1 97 97 LYS HD3 H 1 1.41 0.02 . . . . . A 145 LYS QD . 18856 1 1243 . 1 1 97 97 LYS HE2 H 1 2.651 0.02 . . . . . A 145 LYS HE2 . 18856 1 1244 . 1 1 97 97 LYS HE3 H 1 2.651 0.02 . . . . . A 145 LYS QE . 18856 1 1245 . 1 1 97 97 LYS C C 13 176.739 0.3 . . . . . A 145 LYS C . 18856 1 1246 . 1 1 97 97 LYS CA C 13 55.061 0.3 . . . . . A 145 LYS CA . 18856 1 1247 . 1 1 97 97 LYS CB C 13 33.769 0.3 . . . . . A 145 LYS CB . 18856 1 1248 . 1 1 97 97 LYS CG C 13 28.703 0.3 . . . . . A 145 LYS CG . 18856 1 1249 . 1 1 97 97 LYS CD C 13 29.019 0.3 . . . . . A 145 LYS CD . 18856 1 1250 . 1 1 97 97 LYS N N 15 122.967 0.3 . . . . . A 145 LYS N . 18856 1 1251 . 1 1 98 98 VAL H H 1 9.156 0.02 . . . . . A 146 VAL H . 18856 1 1252 . 1 1 98 98 VAL HA H 1 4.935 0.02 . . . . . A 146 VAL HA . 18856 1 1253 . 1 1 98 98 VAL HB H 1 1.521 0.02 . . . . . A 146 VAL HB . 18856 1 1254 . 1 1 98 98 VAL HG11 H 1 0.357 0.02 . . . . . A 146 VAL HG11 . 18856 1 1255 . 1 1 98 98 VAL HG12 H 1 0.357 0.02 . . . . . A 146 VAL HG12 . 18856 1 1256 . 1 1 98 98 VAL HG13 H 1 0.357 0.02 . . . . . A 146 VAL HG13 . 18856 1 1257 . 1 1 98 98 VAL HG21 H 1 0.304 0.02 . . . . . A 146 VAL HG21 . 18856 1 1258 . 1 1 98 98 VAL HG22 H 1 0.304 0.02 . . . . . A 146 VAL HG22 . 18856 1 1259 . 1 1 98 98 VAL HG23 H 1 0.304 0.02 . . . . . A 146 VAL HG23 . 18856 1 1260 . 1 1 98 98 VAL C C 13 176.764 0.3 . . . . . A 146 VAL C . 18856 1 1261 . 1 1 98 98 VAL CA C 13 59.242 0.3 . . . . . A 146 VAL CA . 18856 1 1262 . 1 1 98 98 VAL CB C 13 33.412 0.3 . . . . . A 146 VAL CB . 18856 1 1263 . 1 1 98 98 VAL CG1 C 13 21.52 0.3 . . . . . A 146 VAL CG1 . 18856 1 1264 . 1 1 98 98 VAL CG2 C 13 21.215 0.3 . . . . . A 146 VAL CG2 . 18856 1 1265 . 1 1 98 98 VAL N N 15 127.949 0.3 . . . . . A 146 VAL N . 18856 1 1266 . 1 1 99 99 ILE H H 1 8.716 0.02 . . . . . A 147 ILE H . 18856 1 1267 . 1 1 99 99 ILE HA H 1 5.145 0.02 . . . . . A 147 ILE HA . 18856 1 1268 . 1 1 99 99 ILE HB H 1 1.786 0.02 . . . . . A 147 ILE HB . 18856 1 1269 . 1 1 99 99 ILE HG12 H 1 1.529 0.02 . . . . . A 147 ILE HG12 . 18856 1 1270 . 1 1 99 99 ILE HG13 H 1 1.135 0.02 . . . . . A 147 ILE HG13 . 18856 1 1271 . 1 1 99 99 ILE HG21 H 1 0.782 0.02 . . . . . A 147 ILE HG21 . 18856 1 1272 . 1 1 99 99 ILE HG22 H 1 0.782 0.02 . . . . . A 147 ILE HG22 . 18856 1 1273 . 1 1 99 99 ILE HG23 H 1 0.782 0.02 . . . . . A 147 ILE HG23 . 18856 1 1274 . 1 1 99 99 ILE HD11 H 1 0.701 0.02 . . . . . A 147 ILE HD11 . 18856 1 1275 . 1 1 99 99 ILE HD12 H 1 0.701 0.02 . . . . . A 147 ILE HD12 . 18856 1 1276 . 1 1 99 99 ILE HD13 H 1 0.701 0.02 . . . . . A 147 ILE HD13 . 18856 1 1277 . 1 1 99 99 ILE C C 13 175.859 0.3 . . . . . A 147 ILE C . 18856 1 1278 . 1 1 99 99 ILE CA C 13 59.507 0.3 . . . . . A 147 ILE CA . 18856 1 1279 . 1 1 99 99 ILE CB C 13 40.885 0.3 . . . . . A 147 ILE CB . 18856 1 1280 . 1 1 99 99 ILE CG1 C 13 27.772 0.3 . . . . . A 147 ILE CG1 . 18856 1 1281 . 1 1 99 99 ILE CG2 C 13 16.838 0.3 . . . . . A 147 ILE CG2 . 18856 1 1282 . 1 1 99 99 ILE CD1 C 13 13.083 0.3 . . . . . A 147 ILE CD1 . 18856 1 1283 . 1 1 99 99 ILE N N 15 124.038 0.3 . . . . . A 147 ILE N . 18856 1 1284 . 1 1 100 100 VAL H H 1 8.896 0.02 . . . . . A 148 VAL H . 18856 1 1285 . 1 1 100 100 VAL HA H 1 4.847 0.02 . . . . . A 148 VAL HA . 18856 1 1286 . 1 1 100 100 VAL HB H 1 1.669 0.02 . . . . . A 148 VAL HB . 18856 1 1287 . 1 1 100 100 VAL HG11 H 1 0.69 0.02 . . . . . A 148 VAL HG11 . 18856 1 1288 . 1 1 100 100 VAL HG12 H 1 0.69 0.02 . . . . . A 148 VAL HG12 . 18856 1 1289 . 1 1 100 100 VAL HG13 H 1 0.69 0.02 . . . . . A 148 VAL HG13 . 18856 1 1290 . 1 1 100 100 VAL HG21 H 1 0.659 0.02 . . . . . A 148 VAL HG21 . 18856 1 1291 . 1 1 100 100 VAL HG22 H 1 0.659 0.02 . . . . . A 148 VAL HG22 . 18856 1 1292 . 1 1 100 100 VAL HG23 H 1 0.659 0.02 . . . . . A 148 VAL HG23 . 18856 1 1293 . 1 1 100 100 VAL C C 13 178.007 0.3 . . . . . A 148 VAL C . 18856 1 1294 . 1 1 100 100 VAL CA C 13 58.433 0.3 . . . . . A 148 VAL CA . 18856 1 1295 . 1 1 100 100 VAL CB C 13 34.657 0.3 . . . . . A 148 VAL CB . 18856 1 1296 . 1 1 100 100 VAL CG1 C 13 22.173 0.3 . . . . . A 148 VAL CG1 . 18856 1 1297 . 1 1 100 100 VAL CG2 C 13 20.279 0.3 . . . . . A 148 VAL CG2 . 18856 1 1298 . 1 1 100 100 VAL N N 15 124.782 0.3 . . . . . A 148 VAL N . 18856 1 1299 . 1 1 101 101 HIS H H 1 8.772 0.02 . . . . . A 149 HIS H . 18856 1 1300 . 1 1 101 101 HIS HA H 1 4.544 0.02 . . . . . A 149 HIS HA . 18856 1 1301 . 1 1 101 101 HIS HB2 H 1 3.094 0.02 . . . . . A 149 HIS HB2 . 18856 1 1302 . 1 1 101 101 HIS HB3 H 1 2.994 0.02 . . . . . A 149 HIS HB3 . 18856 1 1303 . 1 1 101 101 HIS HD2 H 1 6.943 0.02 . . . . . A 149 HIS HD2 . 18856 1 1304 . 1 1 101 101 HIS HE1 H 1 7.653 0.02 . . . . . A 149 HIS HE1 . 18856 1 1305 . 1 1 101 101 HIS C C 13 175.703 0.3 . . . . . A 149 HIS C . 18856 1 1306 . 1 1 101 101 HIS CA C 13 54.595 0.3 . . . . . A 149 HIS CA . 18856 1 1307 . 1 1 101 101 HIS CB C 13 30.27 0.3 . . . . . A 149 HIS CB . 18856 1 1308 . 1 1 101 101 HIS CD2 C 13 116.724 0.3 . . . . . A 149 HIS CD2 . 18856 1 1309 . 1 1 101 101 HIS CE1 C 13 135.781 0.3 . . . . . A 149 HIS CE1 . 18856 1 1310 . 1 1 101 101 HIS N N 15 126.936 0.3 . . . . . A 149 HIS N . 18856 1 1311 . 1 1 102 102 ARG H H 1 8.355 0.02 . . . . . A 150 ARG H . 18856 1 1312 . 1 1 102 102 ARG HA H 1 4.284 0.02 . . . . . A 150 ARG HA . 18856 1 1313 . 1 1 102 102 ARG HB2 H 1 2.434 0.02 . . . . . A 150 ARG HB2 . 18856 1 1314 . 1 1 102 102 ARG HB3 H 1 2.302 0.02 . . . . . A 150 ARG HB3 . 18856 1 1315 . 1 1 102 102 ARG HG2 H 1 1.7 0.02 . . . . . A 150 ARG HG2 . 18856 1 1316 . 1 1 102 102 ARG HG3 H 1 1.7 0.02 . . . . . A 150 ARG QG . 18856 1 1317 . 1 1 102 102 ARG HD2 H 1 3.068 0.02 . . . . . A 150 ARG HD2 . 18856 1 1318 . 1 1 102 102 ARG HD3 H 1 3.068 0.02 . . . . . A 150 ARG QD . 18856 1 1319 . 1 1 102 102 ARG HE H 1 7.086 0.02 . . . . . A 150 ARG HE . 18856 1 1320 . 1 1 102 102 ARG HH11 H 1 6.449 0.02 . . . . . A 150 ARG HH11 . 18856 1 1321 . 1 1 102 102 ARG HH12 H 1 6.449 0.02 . . . . . A 150 ARG HH12 . 18856 1 1322 . 1 1 102 102 ARG HH21 H 1 6.698 0.02 . . . . . A 150 ARG HH21 . 18856 1 1323 . 1 1 102 102 ARG HH22 H 1 6.698 0.02 . . . . . A 150 ARG HH22 . 18856 1 1324 . 1 1 102 102 ARG C C 13 174.935 0.3 . . . . . A 150 ARG C . 18856 1 1325 . 1 1 102 102 ARG CA C 13 55.626 0.3 . . . . . A 150 ARG CA . 18856 1 1326 . 1 1 102 102 ARG CB C 13 30.27 0.3 . . . . . A 150 ARG CB . 18856 1 1327 . 1 1 102 102 ARG CG C 13 27.142 0.3 . . . . . A 150 ARG CG . 18856 1 1328 . 1 1 102 102 ARG CD C 13 43.025 0.3 . . . . . A 150 ARG CD . 18856 1 1329 . 1 1 102 102 ARG N N 15 120.892 0.3 . . . . . A 150 ARG N . 18856 1 1330 . 1 1 102 102 ARG NE N 15 85.321 0.3 . . . . . A 150 ARG NE . 18856 1 1331 . 1 1 103 103 HIS H H 1 8.00 0.02 . . . . . A 151 HIS H . 18856 1 1332 . 1 1 103 103 HIS HA H 1 4.156 0.02 . . . . . A 151 HIS HA . 18856 1 1333 . 1 1 103 103 HIS HB2 H 1 3.165 0.02 . . . . . A 151 HIS HB2 . 18856 1 1334 . 1 1 103 103 HIS HB3 H 1 3.052 0.02 . . . . . A 151 HIS HB3 . 18856 1 1335 . 1 1 103 103 HIS HD2 H 1 7.073 0.02 . . . . . A 151 HIS HD2 . 18856 1 1336 . 1 1 103 103 HIS HE1 H 1 7.834 0.02 . . . . . A 151 HIS HE1 . 18856 1 1337 . 1 1 103 103 HIS C C 13 173.887 0.3 . . . . . A 151 HIS C . 18856 1 1338 . 1 1 103 103 HIS CA C 13 60.434 0.3 . . . . . A 151 HIS CA . 18856 1 1339 . 1 1 103 103 HIS CB C 13 37.774 0.3 . . . . . A 151 HIS CB . 18856 1 1340 . 1 1 103 103 HIS CD2 C 13 116.734 0.3 . . . . . A 151 HIS CD2 . 18856 1 1341 . 1 1 103 103 HIS CE1 C 13 135.167 0.3 . . . . . A 151 HIS CE1 . 18856 1 1342 . 1 1 103 103 HIS N N 15 120.898 0.3 . . . . . A 151 HIS N . 18856 1 1343 . 1 1 104 104 GLU H H 1 7.61 0.02 . . . . . A 152 GLU H . 18856 1 1344 . 1 1 104 104 GLU HA H 1 3.729 0.02 . . . . . A 152 GLU HA . 18856 1 1345 . 1 1 104 104 GLU HB2 H 1 1.707 0.02 . . . . . A 152 GLU HB2 . 18856 1 1346 . 1 1 104 104 GLU HB3 H 1 1.707 0.02 . . . . . A 152 GLU QB . 18856 1 1347 . 1 1 104 104 GLU HG2 H 1 1.976 0.02 . . . . . A 152 GLU HG2 . 18856 1 1348 . 1 1 104 104 GLU HG3 H 1 1.976 0.02 . . . . . A 152 GLU QG . 18856 1 1349 . 1 1 104 104 GLU C C 13 174.812 0.3 . . . . . A 152 GLU C . 18856 1 1350 . 1 1 104 104 GLU CA C 13 58.915 0.3 . . . . . A 152 GLU CA . 18856 1 1351 . 1 1 104 104 GLU CB C 13 28.352 0.3 . . . . . A 152 GLU CB . 18856 1 1352 . 1 1 104 104 GLU CG C 13 33.506 0.3 . . . . . A 152 GLU CG . 18856 1 1353 . 1 1 104 104 GLU N N 15 117.568 0.3 . . . . . A 152 GLU N . 18856 1 1354 . 1 1 105 105 ARG H H 1 7.623 0.02 . . . . . A 153 ARG H . 18856 1 1355 . 1 1 105 105 ARG HA H 1 4.217 0.02 . . . . . A 153 ARG HA . 18856 1 1356 . 1 1 105 105 ARG HB2 H 1 1.883 0.02 . . . . . A 153 ARG HB2 . 18856 1 1357 . 1 1 105 105 ARG HB3 H 1 1.787 0.02 . . . . . A 153 ARG HB3 . 18856 1 1358 . 1 1 105 105 ARG HG2 H 1 1.569 0.02 . . . . . A 153 ARG HG2 . 18856 1 1359 . 1 1 105 105 ARG HG3 H 1 1.391 0.02 . . . . . A 153 ARG HG3 . 18856 1 1360 . 1 1 105 105 ARG HD2 H 1 3.093 0.02 . . . . . A 153 ARG HD2 . 18856 1 1361 . 1 1 105 105 ARG HD3 H 1 3.093 0.02 . . . . . A 153 ARG QD . 18856 1 1362 . 1 1 105 105 ARG HE H 1 7.08 0.02 . . . . . A 153 ARG HE . 18856 1 1363 . 1 1 105 105 ARG C C 13 177.12 0.3 . . . . . A 153 ARG C . 18856 1 1364 . 1 1 105 105 ARG CA C 13 57.048 0.3 . . . . . A 153 ARG CA . 18856 1 1365 . 1 1 105 105 ARG CB C 13 29.518 0.3 . . . . . A 153 ARG CB . 18856 1 1366 . 1 1 105 105 ARG CG C 13 26.913 0.3 . . . . . A 153 ARG CG . 18856 1 1367 . 1 1 105 105 ARG CD C 13 43.088 0.3 . . . . . A 153 ARG CD . 18856 1 1368 . 1 1 105 105 ARG N N 15 115.866 0.3 . . . . . A 153 ARG N . 18856 1 1369 . 1 1 105 105 ARG NE N 15 83.693 0.3 . . . . . A 153 ARG NE . 18856 1 1370 . 1 1 106 106 LEU H H 1 7.842 0.02 . . . . . A 154 LEU H . 18856 1 1371 . 1 1 106 106 LEU HA H 1 3.546 0.02 . . . . . A 154 LEU HA . 18856 1 1372 . 1 1 106 106 LEU HB2 H 1 1.391 0.02 . . . . . A 154 LEU HB2 . 18856 1 1373 . 1 1 106 106 LEU HB3 H 1 1.347 0.02 . . . . . A 154 LEU HB3 . 18856 1 1374 . 1 1 106 106 LEU HG H 1 1.283 0.02 . . . . . A 154 LEU HG . 18856 1 1375 . 1 1 106 106 LEU HD11 H 1 0.734 0.02 . . . . . A 154 LEU HD11 . 18856 1 1376 . 1 1 106 106 LEU HD12 H 1 0.734 0.02 . . . . . A 154 LEU HD12 . 18856 1 1377 . 1 1 106 106 LEU HD13 H 1 0.734 0.02 . . . . . A 154 LEU HD13 . 18856 1 1378 . 1 1 106 106 LEU HD21 H 1 0.719 0.02 . . . . . A 154 LEU HD21 . 18856 1 1379 . 1 1 106 106 LEU HD22 H 1 0.719 0.02 . . . . . A 154 LEU HD22 . 18856 1 1380 . 1 1 106 106 LEU HD23 H 1 0.719 0.02 . . . . . A 154 LEU HD23 . 18856 1 1381 . 1 1 106 106 LEU C C 13 178.007 0.3 . . . . . A 154 LEU C . 18856 1 1382 . 1 1 106 106 LEU CA C 13 56.701 0.3 . . . . . A 154 LEU CA . 18856 1 1383 . 1 1 106 106 LEU CB C 13 47.152 0.3 . . . . . A 154 LEU CB . 18856 1 1384 . 1 1 106 106 LEU CG C 13 27.159 0.3 . . . . . A 154 LEU CG . 18856 1 1385 . 1 1 106 106 LEU CD1 C 13 22.778 0.3 . . . . . A 154 LEU CD1 . 18856 1 1386 . 1 1 106 106 LEU CD2 C 13 24.965 0.3 . . . . . A 154 LEU CD2 . 18856 1 1387 . 1 1 106 106 LEU N N 15 117.943 0.3 . . . . . A 154 LEU N . 18856 1 1388 . 1 1 107 107 LEU H H 1 7.385 0.02 . . . . . A 155 LEU H . 18856 1 1389 . 1 1 107 107 LEU HA H 1 5.133 0.02 . . . . . A 155 LEU HA . 18856 1 1390 . 1 1 107 107 LEU HB2 H 1 1.373 0.02 . . . . . A 155 LEU HB2 . 18856 1 1391 . 1 1 107 107 LEU HB3 H 1 1.342 0.02 . . . . . A 155 LEU HB3 . 18856 1 1392 . 1 1 107 107 LEU HG H 1 1.35 0.02 . . . . . A 155 LEU HG . 18856 1 1393 . 1 1 107 107 LEU HD11 H 1 0.573 0.02 . . . . . A 155 LEU HD11 . 18856 1 1394 . 1 1 107 107 LEU HD12 H 1 0.573 0.02 . . . . . A 155 LEU HD12 . 18856 1 1395 . 1 1 107 107 LEU HD13 H 1 0.573 0.02 . . . . . A 155 LEU HD13 . 18856 1 1396 . 1 1 107 107 LEU HD21 H 1 0.477 0.02 . . . . . A 155 LEU HD21 . 18856 1 1397 . 1 1 107 107 LEU HD22 H 1 0.477 0.02 . . . . . A 155 LEU HD22 . 18856 1 1398 . 1 1 107 107 LEU HD23 H 1 0.477 0.02 . . . . . A 155 LEU HD23 . 18856 1 1399 . 1 1 107 107 LEU C C 13 177.004 0.3 . . . . . A 155 LEU C . 18856 1 1400 . 1 1 107 107 LEU CA C 13 53.869 0.3 . . . . . A 155 LEU CA . 18856 1 1401 . 1 1 107 107 LEU CB C 13 46.823 0.3 . . . . . A 155 LEU CB . 18856 1 1402 . 1 1 107 107 LEU CG C 13 26.838 0.3 . . . . . A 155 LEU CG . 18856 1 1403 . 1 1 107 107 LEU CD1 C 13 25.577 0.3 . . . . . A 155 LEU CD1 . 18856 1 1404 . 1 1 107 107 LEU CD2 C 13 25.59 0.3 . . . . . A 155 LEU CD2 . 18856 1 1405 . 1 1 107 107 LEU N N 15 118.156 0.3 . . . . . A 155 LEU N . 18856 1 1406 . 1 1 108 108 TYR H H 1 8.896 0.02 . . . . . A 156 TYR H . 18856 1 1407 . 1 1 108 108 TYR HA H 1 5.161 0.02 . . . . . A 156 TYR HA . 18856 1 1408 . 1 1 108 108 TYR HB2 H 1 3.134 0.02 . . . . . A 156 TYR HB2 . 18856 1 1409 . 1 1 108 108 TYR HB3 H 1 3.044 0.02 . . . . . A 156 TYR HB3 . 18856 1 1410 . 1 1 108 108 TYR HD1 H 1 7.052 0.02 . . . . . A 156 TYR HD1 . 18856 1 1411 . 1 1 108 108 TYR HD2 H 1 7.052 0.02 . . . . . A 156 TYR HD2 . 18856 1 1412 . 1 1 108 108 TYR HE1 H 1 6.726 0.02 . . . . . A 156 TYR HE1 . 18856 1 1413 . 1 1 108 108 TYR HE2 H 1 6.726 0.02 . . . . . A 156 TYR HE2 . 18856 1 1414 . 1 1 108 108 TYR C C 13 176.637 0.3 . . . . . A 156 TYR C . 18856 1 1415 . 1 1 108 108 TYR CA C 13 54.636 0.3 . . . . . A 156 TYR CA . 18856 1 1416 . 1 1 108 108 TYR CB C 13 45.501 0.3 . . . . . A 156 TYR CB . 18856 1 1417 . 1 1 108 108 TYR CD1 C 13 130.479 0.3 . . . . . A 156 TYR CD1 . 18856 1 1418 . 1 1 108 108 TYR CE1 C 13 115.15 0.3 . . . . . A 156 TYR CE1 . 18856 1 1419 . 1 1 108 108 TYR N N 15 123.796 0.3 . . . . . A 156 TYR N . 18856 1 1420 . 1 1 109 109 PHE H H 1 8.99 0.02 . . . . . A 157 PHE H . 18856 1 1421 . 1 1 109 109 PHE HA H 1 5.414 0.02 . . . . . A 157 PHE HA . 18856 1 1422 . 1 1 109 109 PHE HB2 H 1 2.85 0.02 . . . . . A 157 PHE HB2 . 18856 1 1423 . 1 1 109 109 PHE HB3 H 1 2.625 0.02 . . . . . A 157 PHE HB3 . 18856 1 1424 . 1 1 109 109 PHE HD1 H 1 6.925 0.02 . . . . . A 157 PHE HD1 . 18856 1 1425 . 1 1 109 109 PHE HD2 H 1 6.925 0.02 . . . . . A 157 PHE HD2 . 18856 1 1426 . 1 1 109 109 PHE HE1 H 1 6.869 0.02 . . . . . A 157 PHE HE1 . 18856 1 1427 . 1 1 109 109 PHE HE2 H 1 6.869 0.02 . . . . . A 157 PHE HE2 . 18856 1 1428 . 1 1 109 109 PHE HZ H 1 6.901 0.02 . . . . . A 157 PHE HZ . 18856 1 1429 . 1 1 109 109 PHE C C 13 176.637 0.3 . . . . . A 157 PHE C . 18856 1 1430 . 1 1 109 109 PHE CA C 13 55.599 0.3 . . . . . A 157 PHE CA . 18856 1 1431 . 1 1 109 109 PHE CB C 13 42.288 0.3 . . . . . A 157 PHE CB . 18856 1 1432 . 1 1 109 109 PHE CD1 C 13 129.218 0.3 . . . . . A 157 PHE CD1 . 18856 1 1433 . 1 1 109 109 PHE CE1 C 13 129.227 0.3 . . . . . A 157 PHE CE1 . 18856 1 1434 . 1 1 109 109 PHE CZ C 13 125.225 0.3 . . . . . A 157 PHE CZ . 18856 1 1435 . 1 1 109 109 PHE N N 15 119.284 0.3 . . . . . A 157 PHE N . 18856 1 1436 . 1 1 110 110 PHE H H 1 9.834 0.02 . . . . . A 158 PHE H . 18856 1 1437 . 1 1 110 110 PHE HA H 1 4.816 0.02 . . . . . A 158 PHE HA . 18856 1 1438 . 1 1 110 110 PHE HB2 H 1 3.224 0.02 . . . . . A 158 PHE HB2 . 18856 1 1439 . 1 1 110 110 PHE HB3 H 1 2.577 0.02 . . . . . A 158 PHE HB3 . 18856 1 1440 . 1 1 110 110 PHE HD1 H 1 7.067 0.02 . . . . . A 158 PHE HD1 . 18856 1 1441 . 1 1 110 110 PHE HD2 H 1 7.067 0.02 . . . . . A 158 PHE HD2 . 18856 1 1442 . 1 1 110 110 PHE HE1 H 1 7.052 0.02 . . . . . A 158 PHE HE1 . 18856 1 1443 . 1 1 110 110 PHE HE2 H 1 7.052 0.02 . . . . . A 158 PHE HE2 . 18856 1 1444 . 1 1 110 110 PHE HZ H 1 7.04 0.02 . . . . . A 158 PHE HZ . 18856 1 1445 . 1 1 110 110 PHE C C 13 176.52 0.3 . . . . . A 158 PHE C . 18856 1 1446 . 1 1 110 110 PHE CA C 13 56.546 0.3 . . . . . A 158 PHE CA . 18856 1 1447 . 1 1 110 110 PHE CB C 13 42.288 0.3 . . . . . A 158 PHE CB . 18856 1 1448 . 1 1 110 110 PHE CD1 C 13 129.233 0.3 . . . . . A 158 PHE CD1 . 18856 1 1449 . 1 1 110 110 PHE CE1 C 13 128.601 0.3 . . . . . A 158 PHE CE1 . 18856 1 1450 . 1 1 110 110 PHE CZ C 13 126.051 0.3 . . . . . A 158 PHE CZ . 18856 1 1451 . 1 1 110 110 PHE N N 15 120.293 0.3 . . . . . A 158 PHE N . 18856 1 1452 . 1 1 111 111 ASP H H 1 8.687 0.02 . . . . . A 159 ASP H . 18856 1 1453 . 1 1 111 111 ASP HA H 1 4.823 0.02 . . . . . A 159 ASP HA . 18856 1 1454 . 1 1 111 111 ASP HB2 H 1 2.716 0.02 . . . . . A 159 ASP HB2 . 18856 1 1455 . 1 1 111 111 ASP HB3 H 1 2.409 0.02 . . . . . A 159 ASP HB3 . 18856 1 1456 . 1 1 111 111 ASP C C 13 174.629 0.3 . . . . . A 159 ASP C . 18856 1 1457 . 1 1 111 111 ASP CA C 13 54.865 0.3 . . . . . A 159 ASP CA . 18856 1 1458 . 1 1 111 111 ASP CB C 13 41.212 0.3 . . . . . A 159 ASP CB . 18856 1 1459 . 1 1 111 111 ASP N N 15 121.388 0.3 . . . . . A 159 ASP N . 18856 1 1460 . 1 1 112 112 VAL H H 1 8.366 0.02 . . . . . A 160 VAL H . 18856 1 1461 . 1 1 112 112 VAL HA H 1 4.18 0.02 . . . . . A 160 VAL HA . 18856 1 1462 . 1 1 112 112 VAL HB H 1 2.069 0.02 . . . . . A 160 VAL HB . 18856 1 1463 . 1 1 112 112 VAL HG11 H 1 0.796 0.02 . . . . . A 160 VAL HG11 . 18856 1 1464 . 1 1 112 112 VAL HG12 H 1 0.796 0.02 . . . . . A 160 VAL HG12 . 18856 1 1465 . 1 1 112 112 VAL HG13 H 1 0.796 0.02 . . . . . A 160 VAL HG13 . 18856 1 1466 . 1 1 112 112 VAL HG21 H 1 0.758 0.02 . . . . . A 160 VAL HG21 . 18856 1 1467 . 1 1 112 112 VAL HG22 H 1 0.758 0.02 . . . . . A 160 VAL HG22 . 18856 1 1468 . 1 1 112 112 VAL HG23 H 1 0.758 0.02 . . . . . A 160 VAL HG23 . 18856 1 1469 . 1 1 112 112 VAL C C 13 175.962 0.3 . . . . . A 160 VAL C . 18856 1 1470 . 1 1 112 112 VAL CA C 13 62.061 0.3 . . . . . A 160 VAL CA . 18856 1 1471 . 1 1 112 112 VAL CB C 13 32.154 0.3 . . . . . A 160 VAL CB . 18856 1 1472 . 1 1 112 112 VAL CG1 C 13 21.525 0.3 . . . . . A 160 VAL CG1 . 18856 1 1473 . 1 1 112 112 VAL CG2 C 13 20.593 0.3 . . . . . A 160 VAL CG2 . 18856 1 1474 . 1 1 112 112 VAL N N 15 120.402 0.3 . . . . . A 160 VAL N . 18856 1 1475 . 1 1 113 113 THR H H 1 7.824 0.02 . . . . . A 161 THR H . 18856 1 1476 . 1 1 113 113 THR HA H 1 4.697 0.02 . . . . . A 161 THR HA . 18856 1 1477 . 1 1 113 113 THR HB H 1 4.073 0.02 . . . . . A 161 THR HB . 18856 1 1478 . 1 1 113 113 THR HG21 H 1 1.098 0.02 . . . . . A 161 THR HG21 . 18856 1 1479 . 1 1 113 113 THR HG22 H 1 1.098 0.02 . . . . . A 161 THR HG22 . 18856 1 1480 . 1 1 113 113 THR HG23 H 1 1.098 0.02 . . . . . A 161 THR HG23 . 18856 1 1481 . 1 1 113 113 THR C C 13 172.087 0.3 . . . . . A 161 THR C . 18856 1 1482 . 1 1 113 113 THR CA C 13 64.023 0.3 . . . . . A 161 THR CA . 18856 1 1483 . 1 1 113 113 THR CB C 13 70.214 0.3 . . . . . A 161 THR CB . 18856 1 1484 . 1 1 113 113 THR CG2 C 13 21.839 0.3 . . . . . A 161 THR CG2 . 18856 1 1485 . 1 1 113 113 THR N N 15 123.509 0.3 . . . . . A 161 THR N . 18856 1 stop_ save_