data_25559 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25559 _Entry.Title ; Structure of C-terminal domain of human polymerase Rev1 in complex with PolD3 RIR-motif ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-04-01 _Entry.Accession_date 2015-04-01 _Entry.Last_release_date 2016-04-12 _Entry.Original_release_date 2016-04-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yulia Pustovalova . . . . 25559 2 Dmitry Korzhnev . . . . 25559 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' . 25559 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PolD3 . 25559 Rev1 . 25559 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25559 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 338 25559 '15N chemical shifts' 103 25559 '1H chemical shifts' 731 25559 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 . . 2016-08-25 2015-04-01 update BMRB 'update entry citation' 25559 1 . . 2016-04-12 2015-04-01 original author 'original release' 25559 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N1G 'BMRB Entry Tracking System' 25559 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25559 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26982350 _Citation.Full_citation . _Citation.Title ; Interaction between the Rev1 C-terminal Domain and the PolD3 Subunit of Pol-zeta Suggests a Mechanism of Polymerase Exchange upon Rev1/Pol-zeta-Dependent Translesion Synthesis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 55 _Citation.Journal_issue 13 _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 2043 _Citation.Page_last 2053 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yulia Pustovalova . . . . 25559 1 2 Mariana Magalhaes . T.Q. . . 25559 1 3 Sanjay D'Souza . . . . 25559 1 4 Alessandro Rizzo . A. . . 25559 1 5 George Korza . . . . 25559 1 6 Graham Walker . C. . . 25559 1 7 Dmitry Korzhnev . M. . . 25559 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25559 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of human polymerase Rev1 in complex with PolD3 RIR-motif' _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 Rev1-CT 1 $Rev1-CT A . yes native no no . . . 25559 1 2 PolD3 2 $PolD3 B . no native no no . . . 25559 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rev1-CT _Entity.Sf_category entity _Entity.Sf_framecode Rev1-CT _Entity.Entry_ID 25559 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rev1-CT _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NLAGAVEFNDVKTLLREWIT TISDPMEEDILQVVKYCTDL IEEKDLEKLDLVIKYMKRLM QQSVESVWNMAFDFILDNVQ VVLQQTYGSTLKVT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'C-terminal domain of human polymerase Rev1 (residues 1158-1251)' _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment hRev1-CT _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10954.707 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1158 ASN . 25559 1 2 1159 LEU . 25559 1 3 1160 ALA . 25559 1 4 1161 GLY . 25559 1 5 1162 ALA . 25559 1 6 1163 VAL . 25559 1 7 1164 GLU . 25559 1 8 1165 PHE . 25559 1 9 1166 ASN . 25559 1 10 1167 ASP . 25559 1 11 1168 VAL . 25559 1 12 1169 LYS . 25559 1 13 1170 THR . 25559 1 14 1171 LEU . 25559 1 15 1172 LEU . 25559 1 16 1173 ARG . 25559 1 17 1174 GLU . 25559 1 18 1175 TRP . 25559 1 19 1176 ILE . 25559 1 20 1177 THR . 25559 1 21 1178 THR . 25559 1 22 1179 ILE . 25559 1 23 1180 SER . 25559 1 24 1181 ASP . 25559 1 25 1182 PRO . 25559 1 26 1183 MET . 25559 1 27 1184 GLU . 25559 1 28 1185 GLU . 25559 1 29 1186 ASP . 25559 1 30 1187 ILE . 25559 1 31 1188 LEU . 25559 1 32 1189 GLN . 25559 1 33 1190 VAL . 25559 1 34 1191 VAL . 25559 1 35 1192 LYS . 25559 1 36 1193 TYR . 25559 1 37 1194 CYS . 25559 1 38 1195 THR . 25559 1 39 1196 ASP . 25559 1 40 1197 LEU . 25559 1 41 1198 ILE . 25559 1 42 1199 GLU . 25559 1 43 1200 GLU . 25559 1 44 1201 LYS . 25559 1 45 1202 ASP . 25559 1 46 1203 LEU . 25559 1 47 1204 GLU . 25559 1 48 1205 LYS . 25559 1 49 1206 LEU . 25559 1 50 1207 ASP . 25559 1 51 1208 LEU . 25559 1 52 1209 VAL . 25559 1 53 1210 ILE . 25559 1 54 1211 LYS . 25559 1 55 1212 TYR . 25559 1 56 1213 MET . 25559 1 57 1214 LYS . 25559 1 58 1215 ARG . 25559 1 59 1216 LEU . 25559 1 60 1217 MET . 25559 1 61 1218 GLN . 25559 1 62 1219 GLN . 25559 1 63 1220 SER . 25559 1 64 1221 VAL . 25559 1 65 1222 GLU . 25559 1 66 1223 SER . 25559 1 67 1224 VAL . 25559 1 68 1225 TRP . 25559 1 69 1226 ASN . 25559 1 70 1227 MET . 25559 1 71 1228 ALA . 25559 1 72 1229 PHE . 25559 1 73 1230 ASP . 25559 1 74 1231 PHE . 25559 1 75 1232 ILE . 25559 1 76 1233 LEU . 25559 1 77 1234 ASP . 25559 1 78 1235 ASN . 25559 1 79 1236 VAL . 25559 1 80 1237 GLN . 25559 1 81 1238 VAL . 25559 1 82 1239 VAL . 25559 1 83 1240 LEU . 25559 1 84 1241 GLN . 25559 1 85 1242 GLN . 25559 1 86 1243 THR . 25559 1 87 1244 TYR . 25559 1 88 1245 GLY . 25559 1 89 1246 SER . 25559 1 90 1247 THR . 25559 1 91 1248 LEU . 25559 1 92 1249 LYS . 25559 1 93 1250 VAL . 25559 1 94 1251 THR . 25559 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 . ASN 1 1 25559 1 . LEU 2 2 25559 1 . ALA 3 3 25559 1 . GLY 4 4 25559 1 . ALA 5 5 25559 1 . VAL 6 6 25559 1 . GLU 7 7 25559 1 . PHE 8 8 25559 1 . ASN 9 9 25559 1 . ASP 10 10 25559 1 . VAL 11 11 25559 1 . LYS 12 12 25559 1 . THR 13 13 25559 1 . LEU 14 14 25559 1 . LEU 15 15 25559 1 . ARG 16 16 25559 1 . GLU 17 17 25559 1 . TRP 18 18 25559 1 . ILE 19 19 25559 1 . THR 20 20 25559 1 . THR 21 21 25559 1 . ILE 22 22 25559 1 . SER 23 23 25559 1 . ASP 24 24 25559 1 . PRO 25 25 25559 1 . MET 26 26 25559 1 . GLU 27 27 25559 1 . GLU 28 28 25559 1 . ASP 29 29 25559 1 . ILE 30 30 25559 1 . LEU 31 31 25559 1 . GLN 32 32 25559 1 . VAL 33 33 25559 1 . VAL 34 34 25559 1 . LYS 35 35 25559 1 . TYR 36 36 25559 1 . CYS 37 37 25559 1 . THR 38 38 25559 1 . ASP 39 39 25559 1 . LEU 40 40 25559 1 . ILE 41 41 25559 1 . GLU 42 42 25559 1 . GLU 43 43 25559 1 . LYS 44 44 25559 1 . ASP 45 45 25559 1 . LEU 46 46 25559 1 . GLU 47 47 25559 1 . LYS 48 48 25559 1 . LEU 49 49 25559 1 . ASP 50 50 25559 1 . LEU 51 51 25559 1 . VAL 52 52 25559 1 . ILE 53 53 25559 1 . LYS 54 54 25559 1 . TYR 55 55 25559 1 . MET 56 56 25559 1 . LYS 57 57 25559 1 . ARG 58 58 25559 1 . LEU 59 59 25559 1 . MET 60 60 25559 1 . GLN 61 61 25559 1 . GLN 62 62 25559 1 . SER 63 63 25559 1 . VAL 64 64 25559 1 . GLU 65 65 25559 1 . SER 66 66 25559 1 . VAL 67 67 25559 1 . TRP 68 68 25559 1 . ASN 69 69 25559 1 . MET 70 70 25559 1 . ALA 71 71 25559 1 . PHE 72 72 25559 1 . ASP 73 73 25559 1 . PHE 74 74 25559 1 . ILE 75 75 25559 1 . LEU 76 76 25559 1 . ASP 77 77 25559 1 . ASN 78 78 25559 1 . VAL 79 79 25559 1 . GLN 80 80 25559 1 . VAL 81 81 25559 1 . VAL 82 82 25559 1 . LEU 83 83 25559 1 . GLN 84 84 25559 1 . GLN 85 85 25559 1 . THR 86 86 25559 1 . TYR 87 87 25559 1 . GLY 88 88 25559 1 . SER 89 89 25559 1 . THR 90 90 25559 1 . LEU 91 91 25559 1 . LYS 92 92 25559 1 . VAL 93 93 25559 1 . THR 94 94 25559 1 stop_ save_ save_PolD3 _Entity.Sf_category entity _Entity.Sf_framecode PolD3 _Entity.Entry_ID 25559 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name PolD3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KGNMMSNFFGKAAMNK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'RIR-motif of accessory subunit PolD3 of human polymerase delta (residues 233-246)' _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 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1779.138 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 231 LYS . 25559 2 2 232 GLY . 25559 2 3 233 ASN . 25559 2 4 234 MET . 25559 2 5 235 MET . 25559 2 6 236 SER . 25559 2 7 237 ASN . 25559 2 8 238 PHE . 25559 2 9 239 PHE . 25559 2 10 240 GLY . 25559 2 11 241 LYS . 25559 2 12 242 ALA . 25559 2 13 243 ALA . 25559 2 14 244 MET . 25559 2 15 245 ASN . 25559 2 16 246 LYS . 25559 2 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 . LYS 1 1 25559 2 . GLY 2 2 25559 2 . ASN 3 3 25559 2 . MET 4 4 25559 2 . MET 5 5 25559 2 . SER 6 6 25559 2 . ASN 7 7 25559 2 . PHE 8 8 25559 2 . PHE 9 9 25559 2 . GLY 10 10 25559 2 . LYS 11 11 25559 2 . ALA 12 12 25559 2 . ALA 13 13 25559 2 . MET 14 14 25559 2 . ASN 15 15 25559 2 . LYS 16 16 25559 2 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 25559 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Rev1-CT . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25559 1 2 2 $PolD3 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25559 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 25559 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Rev1-CT . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET28b+ . . . 25559 1 2 2 $PolD3 . 'chemical synthesis' . . . . . . . . . . . . . . . . 25559 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-13C_Rev1-CT-PolD3 _Sample.Sf_category sample _Sample.Sf_framecode 15N-13C_Rev1-CT-PolD3 _Sample.Entry_ID 25559 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'a 15N/13C-labeled hRev1-CT with excess of an unlabeled PolD3 peptide' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 Rev1-CT '[U-100% 13C; U-100% 15N]' . . 1 $Rev1-CT . . 0.5 . . mM . . . . 25559 1 2 PolD3 'natural abundance' . . 2 $PolD3 . . . 0.5 0.8 mM . . . . 25559 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25559 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25559 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 25559 1 6 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 25559 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25559 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25559 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 25559 _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' 100 . mM 25559 1 pH 7.0 . pH 25559 1 pressure 1.0 . atm 25559 1 temperature 273 . K 25559 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25559 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25559 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25559 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25559 _Software.ID 2 _Software.Name NMRPipe _Software.Version 5.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25559 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25559 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25559 _Software.ID 3 _Software.Name CARA _Software.Version 1.9.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25559 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25559 3 'chemical shift calculation' 25559 3 'peak picking' 25559 3 stop_ save_ save_ABACUS_(CNS) _Software.Sf_category software _Software.Sf_framecode ABACUS_(CNS) _Software.Entry_ID 25559 _Software.ID 4 _Software.Name ABACUS_(CNS) _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25559 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25559 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25559 _Software.ID 5 _Software.Name TALOS _Software.Version 2.20 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25559 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25559 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25559 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25559 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25559 _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 spectrometer_1 Varian Avance . 500 . . . 25559 1 2 spectrometer_2 Varian Avance . 800 . . . 25559 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 25559 _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 1H-15N HSQC' no . . . . . . . . . . 1 $15N-13C_Rev1-CT-PolD3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25559 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $15N-13C_Rev1-CT-PolD3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25559 1 3 '3D HNCO' no . . . . . . . . . . 1 $15N-13C_Rev1-CT-PolD3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25559 1 4 '3D HNCACB' no . . . . . . . . . . 1 $15N-13C_Rev1-CT-PolD3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25559 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $15N-13C_Rev1-CT-PolD3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25559 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $15N-13C_Rev1-CT-PolD3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25559 1 7 '3D CCH-TOCSY' no . . . . . . . . . . 1 $15N-13C_Rev1-CT-PolD3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25559 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $15N-13C_Rev1-CT-PolD3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25559 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N-13C_Rev1-CT-PolD3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25559 1 10 '2D 1H-1H (filt.) TOCSY' no . . . . . . . . . . 1 $15N-13C_Rev1-CT-PolD3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25559 1 11 '2D 1H-1H (filt.) NOESY' no . . . . . . . . . . 1 $15N-13C_Rev1-CT-PolD3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25559 1 12 '3D 1H-13C (CNfilt.) NOESY' no . . . . . . . . . . 1 $15N-13C_Rev1-CT-PolD3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25559 1 13 '3D 1H-15N (CNfilt.) NOESY' no . . . . . . . . . . 1 $15N-13C_Rev1-CT-PolD3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25559 1 stop_ 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 25559 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0 internal indirect 0.251449530 . . . . . 25559 1 H 1 water protons . . . . ppm 4.868 internal direct 1.0 . . . . . 25559 1 N 15 water protons . . . . ppm 0 internal indirect 0.101329118 . . . . . 25559 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 25559 _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 1H-15N HSQC' . . . 25559 1 2 '2D 1H-13C HSQC' . . . 25559 1 3 '3D HNCO' . . . 25559 1 4 '3D HNCACB' . . . 25559 1 5 '3D HBHA(CO)NH' . . . 25559 1 6 '3D HCCH-TOCSY' . . . 25559 1 7 '3D CCH-TOCSY' . . . 25559 1 10 '2D 1H-1H (filt.) TOCSY' . . . 25559 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CARA . . 25559 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 1 1 ASN HA H 1 5.290 0.010 . 1 . . . A 1158 ASN HA . 25559 1 2 . 1 1 1 1 ASN HB2 H 1 2.132 0.010 . 1 . . . A 1158 ASN HB2 . 25559 1 3 . 1 1 1 1 ASN HB3 H 1 2.602 0.010 . 1 . . . A 1158 ASN HB3 . 25559 1 4 . 1 1 1 1 ASN HD21 H 1 6.826 0.010 . 1 . . . A 1158 ASN HD21 . 25559 1 5 . 1 1 1 1 ASN HD22 H 1 7.564 0.010 . 1 . . . A 1158 ASN HD22 . 25559 1 6 . 1 1 1 1 ASN H H 1 9.245 0.010 . 1 . . . A 1158 ASN H1 . 25559 1 7 . 1 1 1 1 ASN CA C 13 52.429 0.200 . 1 . . . A 1158 ASN CA . 25559 1 8 . 1 1 1 1 ASN CB C 13 42.803 0.200 . 1 . . . A 1158 ASN CB . 25559 1 9 . 1 1 1 1 ASN N N 15 119.893 0.100 . 1 . . . A 1158 ASN N . 25559 1 10 . 1 1 1 1 ASN ND2 N 15 114.284 0.100 . 1 . . . A 1158 ASN ND2 . 25559 1 11 . 1 1 2 2 LEU H H 1 8.621 0.010 . 1 . . . A 1159 LEU H . 25559 1 12 . 1 1 2 2 LEU HA H 1 4.382 0.010 . 1 . . . A 1159 LEU HA . 25559 1 13 . 1 1 2 2 LEU HB2 H 1 0.205 0.010 . 1 . . . A 1159 LEU HB2 . 25559 1 14 . 1 1 2 2 LEU HB3 H 1 1.317 0.010 . 1 . . . A 1159 LEU HB3 . 25559 1 15 . 1 1 2 2 LEU HG H 1 0.835 0.010 . 1 . . . A 1159 LEU HG . 25559 1 16 . 1 1 2 2 LEU HD11 H 1 0.026 0.010 . 1 . . . A 1159 LEU HD11 . 25559 1 17 . 1 1 2 2 LEU HD12 H 1 0.026 0.010 . 1 . . . A 1159 LEU HD12 . 25559 1 18 . 1 1 2 2 LEU HD13 H 1 0.026 0.010 . 1 . . . A 1159 LEU HD13 . 25559 1 19 . 1 1 2 2 LEU HD21 H 1 0.297 0.010 . 1 . . . A 1159 LEU HD21 . 25559 1 20 . 1 1 2 2 LEU HD22 H 1 0.297 0.010 . 1 . . . A 1159 LEU HD22 . 25559 1 21 . 1 1 2 2 LEU HD23 H 1 0.297 0.010 . 1 . . . A 1159 LEU HD23 . 25559 1 22 . 1 1 2 2 LEU CA C 13 52.883 0.200 . 1 . . . A 1159 LEU CA . 25559 1 23 . 1 1 2 2 LEU CB C 13 42.356 0.200 . 1 . . . A 1159 LEU CB . 25559 1 24 . 1 1 2 2 LEU CG C 13 26.920 0.200 . 1 . . . A 1159 LEU CG . 25559 1 25 . 1 1 2 2 LEU CD1 C 13 22.075 0.200 . 2 . . . A 1159 LEU CD1 . 25559 1 26 . 1 1 2 2 LEU CD2 C 13 26.293 0.200 . 2 . . . A 1159 LEU CD2 . 25559 1 27 . 1 1 2 2 LEU N N 15 125.455 0.100 . 1 . . . A 1159 LEU N . 25559 1 28 . 1 1 3 3 ALA H H 1 9.137 0.010 . 1 . . . A 1160 ALA H . 25559 1 29 . 1 1 3 3 ALA HA H 1 3.867 0.010 . 1 . . . A 1160 ALA HA . 25559 1 30 . 1 1 3 3 ALA HB1 H 1 1.395 0.010 . 1 . . . A 1160 ALA HB1 . 25559 1 31 . 1 1 3 3 ALA HB2 H 1 1.395 0.010 . 1 . . . A 1160 ALA HB2 . 25559 1 32 . 1 1 3 3 ALA HB3 H 1 1.395 0.010 . 1 . . . A 1160 ALA HB3 . 25559 1 33 . 1 1 3 3 ALA CA C 13 52.728 0.200 . 1 . . . A 1160 ALA CA . 25559 1 34 . 1 1 3 3 ALA CB C 13 18.651 0.200 . 1 . . . A 1160 ALA CB . 25559 1 35 . 1 1 3 3 ALA N N 15 127.431 0.100 . 1 . . . A 1160 ALA N . 25559 1 36 . 1 1 4 4 GLY H H 1 8.289 0.010 . 1 . . . A 1161 GLY H . 25559 1 37 . 1 1 4 4 GLY HA2 H 1 3.421 0.010 . 1 . . . A 1161 GLY HA2 . 25559 1 38 . 1 1 4 4 GLY HA3 H 1 4.228 0.010 . 1 . . . A 1161 GLY HA3 . 25559 1 39 . 1 1 4 4 GLY CA C 13 44.980 0.200 . 1 . . . A 1161 GLY CA . 25559 1 40 . 1 1 4 4 GLY N N 15 104.501 0.100 . 1 . . . A 1161 GLY N . 25559 1 41 . 1 1 5 5 ALA H H 1 8.260 0.010 . 1 . . . A 1162 ALA H . 25559 1 42 . 1 1 5 5 ALA HA H 1 4.340 0.010 . 1 . . . A 1162 ALA HA . 25559 1 43 . 1 1 5 5 ALA HB1 H 1 1.278 0.010 . 1 . . . A 1162 ALA HB1 . 25559 1 44 . 1 1 5 5 ALA HB2 H 1 1.278 0.010 . 1 . . . A 1162 ALA HB2 . 25559 1 45 . 1 1 5 5 ALA HB3 H 1 1.278 0.010 . 1 . . . A 1162 ALA HB3 . 25559 1 46 . 1 1 5 5 ALA CA C 13 52.404 0.200 . 1 . . . A 1162 ALA CA . 25559 1 47 . 1 1 5 5 ALA CB C 13 19.257 0.200 . 1 . . . A 1162 ALA CB . 25559 1 48 . 1 1 5 5 ALA N N 15 125.868 0.100 . 1 . . . A 1162 ALA N . 25559 1 49 . 1 1 6 6 VAL H H 1 8.626 0.010 . 1 . . . A 1163 VAL H . 25559 1 50 . 1 1 6 6 VAL HA H 1 4.391 0.010 . 1 . . . A 1163 VAL HA . 25559 1 51 . 1 1 6 6 VAL HB H 1 1.927 0.010 . 1 . . . A 1163 VAL HB . 25559 1 52 . 1 1 6 6 VAL HG11 H 1 0.901 0.010 . 1 . . . A 1163 VAL HG11 . 25559 1 53 . 1 1 6 6 VAL HG12 H 1 0.901 0.010 . 1 . . . A 1163 VAL HG12 . 25559 1 54 . 1 1 6 6 VAL HG13 H 1 0.901 0.010 . 1 . . . A 1163 VAL HG13 . 25559 1 55 . 1 1 6 6 VAL HG21 H 1 0.959 0.010 . 1 . . . A 1163 VAL HG21 . 25559 1 56 . 1 1 6 6 VAL HG22 H 1 0.959 0.010 . 1 . . . A 1163 VAL HG22 . 25559 1 57 . 1 1 6 6 VAL HG23 H 1 0.959 0.010 . 1 . . . A 1163 VAL HG23 . 25559 1 58 . 1 1 6 6 VAL CA C 13 62.735 0.200 . 1 . . . A 1163 VAL CA . 25559 1 59 . 1 1 6 6 VAL CB C 13 35.237 0.200 . 1 . . . A 1163 VAL CB . 25559 1 60 . 1 1 6 6 VAL CG1 C 13 21.027 0.200 . 2 . . . A 1163 VAL CG1 . 25559 1 61 . 1 1 6 6 VAL CG2 C 13 20.936 0.200 . 2 . . . A 1163 VAL CG2 . 25559 1 62 . 1 1 6 6 VAL N N 15 120.172 0.100 . 1 . . . A 1163 VAL N . 25559 1 63 . 1 1 7 7 GLU H H 1 8.848 0.010 . 1 . . . A 1164 GLU H . 25559 1 64 . 1 1 7 7 GLU HA H 1 4.268 0.010 . 1 . . . A 1164 GLU HA . 25559 1 65 . 1 1 7 7 GLU HB2 H 1 2.011 0.010 . 1 . . . A 1164 GLU HB2 . 25559 1 66 . 1 1 7 7 GLU HB3 H 1 2.290 0.010 . 1 . . . A 1164 GLU HB3 . 25559 1 67 . 1 1 7 7 GLU HG2 H 1 2.406 0.010 . 2 . . . A 1164 GLU HG2 . 25559 1 68 . 1 1 7 7 GLU HG3 H 1 2.507 0.010 . 2 . . . A 1164 GLU HG3 . 25559 1 69 . 1 1 7 7 GLU CA C 13 56.395 0.200 . 1 . . . A 1164 GLU CA . 25559 1 70 . 1 1 7 7 GLU CB C 13 29.271 0.200 . 1 . . . A 1164 GLU CB . 25559 1 71 . 1 1 7 7 GLU CG C 13 36.181 0.200 . 1 . . . A 1164 GLU CG . 25559 1 72 . 1 1 7 7 GLU N N 15 122.537 0.100 . 1 . . . A 1164 GLU N . 25559 1 73 . 1 1 8 8 PHE H H 1 9.415 0.010 . 1 . . . A 1165 PHE H . 25559 1 74 . 1 1 8 8 PHE HA H 1 4.238 0.010 . 1 . . . A 1165 PHE HA . 25559 1 75 . 1 1 8 8 PHE HB2 H 1 3.000 0.010 . 1 . . . A 1165 PHE HB2 . 25559 1 76 . 1 1 8 8 PHE HB3 H 1 3.244 0.010 . 1 . . . A 1165 PHE HB3 . 25559 1 77 . 1 1 8 8 PHE HD1 H 1 7.218 0.010 . 3 . . . A 1165 PHE HD1 . 25559 1 78 . 1 1 8 8 PHE HD2 H 1 7.218 0.010 . 3 . . . A 1165 PHE HD2 . 25559 1 79 . 1 1 8 8 PHE HE1 H 1 7.174 0.010 . 3 . . . A 1165 PHE HE1 . 25559 1 80 . 1 1 8 8 PHE HE2 H 1 7.174 0.010 . 3 . . . A 1165 PHE HE2 . 25559 1 81 . 1 1 8 8 PHE HZ H 1 6.974 0.010 . 1 . . . A 1165 PHE HZ . 25559 1 82 . 1 1 8 8 PHE CA C 13 61.291 0.200 . 1 . . . A 1165 PHE CA . 25559 1 83 . 1 1 8 8 PHE CB C 13 38.907 0.200 . 1 . . . A 1165 PHE CB . 25559 1 84 . 1 1 8 8 PHE CD1 C 13 131.078 0.200 . 1 . . . A 1165 PHE CD1 . 25559 1 85 . 1 1 8 8 PHE CE1 C 13 131.095 0.200 . 1 . . . A 1165 PHE CE1 . 25559 1 86 . 1 1 8 8 PHE CZ C 13 129.212 0.200 . 1 . . . A 1165 PHE CZ . 25559 1 87 . 1 1 8 8 PHE N N 15 126.083 0.100 . 1 . . . A 1165 PHE N . 25559 1 88 . 1 1 9 9 ASN H H 1 9.284 0.010 . 1 . . . A 1166 ASN H . 25559 1 89 . 1 1 9 9 ASN HA H 1 4.011 0.010 . 1 . . . A 1166 ASN HA . 25559 1 90 . 1 1 9 9 ASN HB2 H 1 2.692 0.010 . 1 . . . A 1166 ASN HB2 . 25559 1 91 . 1 1 9 9 ASN HB3 H 1 2.758 0.010 . 1 . . . A 1166 ASN HB3 . 25559 1 92 . 1 1 9 9 ASN HD21 H 1 6.970 0.010 . 2 . . . A 1166 ASN HD21 . 25559 1 93 . 1 1 9 9 ASN HD22 H 1 7.776 0.010 . 2 . . . A 1166 ASN HD22 . 25559 1 94 . 1 1 9 9 ASN CA C 13 56.698 0.200 . 1 . . . A 1166 ASN CA . 25559 1 95 . 1 1 9 9 ASN CB C 13 37.798 0.200 . 1 . . . A 1166 ASN CB . 25559 1 96 . 1 1 9 9 ASN N N 15 115.046 0.100 . 1 . . . A 1166 ASN N . 25559 1 97 . 1 1 9 9 ASN ND2 N 15 113.664 0.100 . 1 . . . A 1166 ASN ND2 . 25559 1 98 . 1 1 10 10 ASP H H 1 7.204 0.010 . 1 . . . A 1167 ASP H . 25559 1 99 . 1 1 10 10 ASP HA H 1 4.461 0.010 . 1 . . . A 1167 ASP HA . 25559 1 100 . 1 1 10 10 ASP HB2 H 1 2.731 0.010 . 2 . . . A 1167 ASP HB2 . 25559 1 101 . 1 1 10 10 ASP HB3 H 1 2.865 0.010 . 2 . . . A 1167 ASP HB3 . 25559 1 102 . 1 1 10 10 ASP CA C 13 56.972 0.200 . 1 . . . A 1167 ASP CA . 25559 1 103 . 1 1 10 10 ASP CB C 13 40.084 0.200 . 1 . . . A 1167 ASP CB . 25559 1 104 . 1 1 10 10 ASP N N 15 119.238 0.100 . 1 . . . A 1167 ASP N . 25559 1 105 . 1 1 11 11 VAL H H 1 7.961 0.010 . 1 . . . A 1168 VAL H . 25559 1 106 . 1 1 11 11 VAL HA H 1 3.215 0.010 . 1 . . . A 1168 VAL HA . 25559 1 107 . 1 1 11 11 VAL HB H 1 2.032 0.010 . 1 . . . A 1168 VAL HB . 25559 1 108 . 1 1 11 11 VAL HG11 H 1 0.640 0.010 . 1 . . . A 1168 VAL HG11 . 25559 1 109 . 1 1 11 11 VAL HG12 H 1 0.640 0.010 . 1 . . . A 1168 VAL HG12 . 25559 1 110 . 1 1 11 11 VAL HG13 H 1 0.640 0.010 . 1 . . . A 1168 VAL HG13 . 25559 1 111 . 1 1 11 11 VAL HG21 H 1 0.718 0.010 . 1 . . . A 1168 VAL HG21 . 25559 1 112 . 1 1 11 11 VAL HG22 H 1 0.718 0.010 . 1 . . . A 1168 VAL HG22 . 25559 1 113 . 1 1 11 11 VAL HG23 H 1 0.718 0.010 . 1 . . . A 1168 VAL HG23 . 25559 1 114 . 1 1 11 11 VAL CA C 13 67.306 0.200 . 1 . . . A 1168 VAL CA . 25559 1 115 . 1 1 11 11 VAL CB C 13 32.038 0.200 . 1 . . . A 1168 VAL CB . 25559 1 116 . 1 1 11 11 VAL CG1 C 13 20.169 0.200 . 2 . . . A 1168 VAL CG1 . 25559 1 117 . 1 1 11 11 VAL CG2 C 13 22.199 0.200 . 2 . . . A 1168 VAL CG2 . 25559 1 118 . 1 1 11 11 VAL N N 15 124.118 0.100 . 1 . . . A 1168 VAL N . 25559 1 119 . 1 1 12 12 LYS H H 1 8.236 0.010 . 1 . . . A 1169 LYS H . 25559 1 120 . 1 1 12 12 LYS HA H 1 3.443 0.010 . 1 . . . A 1169 LYS HA . 25559 1 121 . 1 1 12 12 LYS HB2 H 1 0.979 0.010 . 1 . . . A 1169 LYS HB2 . 25559 1 122 . 1 1 12 12 LYS HB3 H 1 1.200 0.010 . 1 . . . A 1169 LYS HB3 . 25559 1 123 . 1 1 12 12 LYS HG2 H 1 -0.002 0.010 . 1 . . . A 1169 LYS HG2 . 25559 1 124 . 1 1 12 12 LYS HG3 H 1 0.333 0.010 . 1 . . . A 1169 LYS HG3 . 25559 1 125 . 1 1 12 12 LYS HD2 H 1 0.757 0.010 . 2 . . . A 1169 LYS HD2 . 25559 1 126 . 1 1 12 12 LYS HD3 H 1 0.922 0.010 . 2 . . . A 1169 LYS HD3 . 25559 1 127 . 1 1 12 12 LYS HE2 H 1 2.069 0.010 . 2 . . . A 1169 LYS HE2 . 25559 1 128 . 1 1 12 12 LYS HE3 H 1 2.227 0.010 . 2 . . . A 1169 LYS HE3 . 25559 1 129 . 1 1 12 12 LYS CA C 13 60.654 0.200 . 1 . . . A 1169 LYS CA . 25559 1 130 . 1 1 12 12 LYS CB C 13 31.450 0.200 . 1 . . . A 1169 LYS CB . 25559 1 131 . 1 1 12 12 LYS CG C 13 24.693 0.200 . 1 . . . A 1169 LYS CG . 25559 1 132 . 1 1 12 12 LYS CD C 13 29.615 0.200 . 1 . . . A 1169 LYS CD . 25559 1 133 . 1 1 12 12 LYS CE C 13 41.130 0.200 . 1 . . . A 1169 LYS CE . 25559 1 134 . 1 1 12 12 LYS N N 15 117.621 0.100 . 1 . . . A 1169 LYS N . 25559 1 135 . 1 1 13 13 THR H H 1 7.621 0.010 . 1 . . . A 1170 THR H . 25559 1 136 . 1 1 13 13 THR HA H 1 3.801 0.010 . 1 . . . A 1170 THR HA . 25559 1 137 . 1 1 13 13 THR HB H 1 4.266 0.010 . 1 . . . A 1170 THR HB . 25559 1 138 . 1 1 13 13 THR HG1 H 1 4.848 0.010 . 1 . . . A 1170 THR HG1 . 25559 1 139 . 1 1 13 13 THR HG21 H 1 1.228 0.010 . 1 . . . A 1170 THR HG21 . 25559 1 140 . 1 1 13 13 THR HG22 H 1 1.228 0.010 . 1 . . . A 1170 THR HG22 . 25559 1 141 . 1 1 13 13 THR HG23 H 1 1.228 0.010 . 1 . . . A 1170 THR HG23 . 25559 1 142 . 1 1 13 13 THR CA C 13 66.937 0.200 . 1 . . . A 1170 THR CA . 25559 1 143 . 1 1 13 13 THR CB C 13 68.930 0.200 . 1 . . . A 1170 THR CB . 25559 1 144 . 1 1 13 13 THR CG2 C 13 21.926 0.200 . 1 . . . A 1170 THR CG2 . 25559 1 145 . 1 1 13 13 THR N N 15 116.564 0.100 . 1 . . . A 1170 THR N . 25559 1 146 . 1 1 14 14 LEU H H 1 7.627 0.010 . 1 . . . A 1171 LEU H . 25559 1 147 . 1 1 14 14 LEU HA H 1 4.327 0.010 . 1 . . . A 1171 LEU HA . 25559 1 148 . 1 1 14 14 LEU HB2 H 1 1.735 0.010 . 1 . . . A 1171 LEU HB2 . 25559 1 149 . 1 1 14 14 LEU HB3 H 1 1.875 0.010 . 1 . . . A 1171 LEU HB3 . 25559 1 150 . 1 1 14 14 LEU HG H 1 1.780 0.010 . 1 . . . A 1171 LEU HG . 25559 1 151 . 1 1 14 14 LEU HD11 H 1 0.996 0.010 . 1 . . . A 1171 LEU HD11 . 25559 1 152 . 1 1 14 14 LEU HD12 H 1 0.996 0.010 . 1 . . . A 1171 LEU HD12 . 25559 1 153 . 1 1 14 14 LEU HD13 H 1 0.996 0.010 . 1 . . . A 1171 LEU HD13 . 25559 1 154 . 1 1 14 14 LEU HD21 H 1 0.923 0.010 . 1 . . . A 1171 LEU HD21 . 25559 1 155 . 1 1 14 14 LEU HD22 H 1 0.923 0.010 . 1 . . . A 1171 LEU HD22 . 25559 1 156 . 1 1 14 14 LEU HD23 H 1 0.923 0.010 . 1 . . . A 1171 LEU HD23 . 25559 1 157 . 1 1 14 14 LEU CA C 13 58.346 0.200 . 1 . . . A 1171 LEU CA . 25559 1 158 . 1 1 14 14 LEU CB C 13 43.071 0.200 . 1 . . . A 1171 LEU CB . 25559 1 159 . 1 1 14 14 LEU CG C 13 27.388 0.200 . 1 . . . A 1171 LEU CG . 25559 1 160 . 1 1 14 14 LEU CD1 C 13 25.828 0.200 . 1 . . . A 1171 LEU CD1 . 25559 1 161 . 1 1 14 14 LEU CD2 C 13 25.166 0.200 . 1 . . . A 1171 LEU CD2 . 25559 1 162 . 1 1 14 14 LEU N N 15 122.993 0.100 . 1 . . . A 1171 LEU N . 25559 1 163 . 1 1 15 15 LEU H H 1 8.513 0.010 . 1 . . . A 1172 LEU H . 25559 1 164 . 1 1 15 15 LEU HA H 1 4.338 0.010 . 1 . . . A 1172 LEU HA . 25559 1 165 . 1 1 15 15 LEU HB2 H 1 1.392 0.010 . 1 . . . A 1172 LEU HB2 . 25559 1 166 . 1 1 15 15 LEU HB3 H 1 2.238 0.010 . 1 . . . A 1172 LEU HB3 . 25559 1 167 . 1 1 15 15 LEU HG H 1 1.897 0.010 . 1 . . . A 1172 LEU HG . 25559 1 168 . 1 1 15 15 LEU HD11 H 1 0.916 0.010 . 1 . . . A 1172 LEU HD11 . 25559 1 169 . 1 1 15 15 LEU HD12 H 1 0.916 0.010 . 1 . . . A 1172 LEU HD12 . 25559 1 170 . 1 1 15 15 LEU HD13 H 1 0.916 0.010 . 1 . . . A 1172 LEU HD13 . 25559 1 171 . 1 1 15 15 LEU HD21 H 1 1.100 0.010 . 1 . . . A 1172 LEU HD21 . 25559 1 172 . 1 1 15 15 LEU HD22 H 1 1.100 0.010 . 1 . . . A 1172 LEU HD22 . 25559 1 173 . 1 1 15 15 LEU HD23 H 1 1.100 0.010 . 1 . . . A 1172 LEU HD23 . 25559 1 174 . 1 1 15 15 LEU CA C 13 58.470 0.200 . 1 . . . A 1172 LEU CA . 25559 1 175 . 1 1 15 15 LEU CB C 13 42.901 0.200 . 1 . . . A 1172 LEU CB . 25559 1 176 . 1 1 15 15 LEU CG C 13 26.949 0.200 . 1 . . . A 1172 LEU CG . 25559 1 177 . 1 1 15 15 LEU CD1 C 13 26.931 0.200 . 1 . . . A 1172 LEU CD1 . 25559 1 178 . 1 1 15 15 LEU CD2 C 13 23.863 0.200 . 1 . . . A 1172 LEU CD2 . 25559 1 179 . 1 1 15 15 LEU N N 15 117.389 0.100 . 1 . . . A 1172 LEU N . 25559 1 180 . 1 1 16 16 ARG H H 1 8.647 0.010 . 1 . . . A 1173 ARG H . 25559 1 181 . 1 1 16 16 ARG HA H 1 3.791 0.010 . 1 . . . A 1173 ARG HA . 25559 1 182 . 1 1 16 16 ARG HB2 H 1 2.011 0.010 . 1 . . . A 1173 ARG HB2 . 25559 1 183 . 1 1 16 16 ARG HB3 H 1 2.299 0.010 . 1 . . . A 1173 ARG HB3 . 25559 1 184 . 1 1 16 16 ARG HG2 H 1 1.489 0.010 . 2 . . . A 1173 ARG HG2 . 25559 1 185 . 1 1 16 16 ARG HG3 H 1 1.489 0.010 . 2 . . . A 1173 ARG HG3 . 25559 1 186 . 1 1 16 16 ARG HD2 H 1 3.152 0.010 . 1 . . . A 1173 ARG HD2 . 25559 1 187 . 1 1 16 16 ARG HD3 H 1 3.218 0.010 . 1 . . . A 1173 ARG HD3 . 25559 1 188 . 1 1 16 16 ARG CA C 13 60.010 0.200 . 1 . . . A 1173 ARG CA . 25559 1 189 . 1 1 16 16 ARG CB C 13 29.388 0.200 . 1 . . . A 1173 ARG CB . 25559 1 190 . 1 1 16 16 ARG CG C 13 27.622 0.200 . 1 . . . A 1173 ARG CG . 25559 1 191 . 1 1 16 16 ARG CD C 13 43.327 0.200 . 1 . . . A 1173 ARG CD . 25559 1 192 . 1 1 16 16 ARG N N 15 117.643 0.100 . 1 . . . A 1173 ARG N . 25559 1 193 . 1 1 17 17 GLU H H 1 8.375 0.010 . 1 . . . A 1174 GLU H . 25559 1 194 . 1 1 17 17 GLU HA H 1 3.875 0.010 . 1 . . . A 1174 GLU HA . 25559 1 195 . 1 1 17 17 GLU HB2 H 1 2.329 0.010 . 2 . . . A 1174 GLU HB2 . 25559 1 196 . 1 1 17 17 GLU HB3 H 1 2.329 0.010 . 2 . . . A 1174 GLU HB3 . 25559 1 197 . 1 1 17 17 GLU HG2 H 1 2.346 0.010 . 1 . . . A 1174 GLU HG2 . 25559 1 198 . 1 1 17 17 GLU HG3 H 1 2.457 0.010 . 1 . . . A 1174 GLU HG3 . 25559 1 199 . 1 1 17 17 GLU CA C 13 59.933 0.200 . 1 . . . A 1174 GLU CA . 25559 1 200 . 1 1 17 17 GLU CB C 13 29.330 0.200 . 1 . . . A 1174 GLU CB . 25559 1 201 . 1 1 17 17 GLU CG C 13 36.288 0.200 . 1 . . . A 1174 GLU CG . 25559 1 202 . 1 1 17 17 GLU N N 15 122.504 0.100 . 1 . . . A 1174 GLU N . 25559 1 203 . 1 1 18 18 TRP H H 1 8.250 0.010 . 1 . . . A 1175 TRP H . 25559 1 204 . 1 1 18 18 TRP HA H 1 4.345 0.010 . 1 . . . A 1175 TRP HA . 25559 1 205 . 1 1 18 18 TRP HB2 H 1 2.484 0.010 . 1 . . . A 1175 TRP HB2 . 25559 1 206 . 1 1 18 18 TRP HB3 H 1 3.490 0.010 . 1 . . . A 1175 TRP HB3 . 25559 1 207 . 1 1 18 18 TRP HD1 H 1 6.231 0.010 . 1 . . . A 1175 TRP HD1 . 25559 1 208 . 1 1 18 18 TRP HE1 H 1 10.723 0.010 . 1 . . . A 1175 TRP HE1 . 25559 1 209 . 1 1 18 18 TRP HZ2 H 1 7.291 0.010 . 1 . . . A 1175 TRP HZ2 . 25559 1 210 . 1 1 18 18 TRP HH2 H 1 7.073 0.010 . 1 . . . A 1175 TRP HH2 . 25559 1 211 . 1 1 18 18 TRP CA C 13 58.867 0.200 . 1 . . . A 1175 TRP CA . 25559 1 212 . 1 1 18 18 TRP CB C 13 28.876 0.200 . 1 . . . A 1175 TRP CB . 25559 1 213 . 1 1 18 18 TRP CD1 C 13 126.815 0.200 . 1 . . . A 1175 TRP CD1 . 25559 1 214 . 1 1 18 18 TRP CZ2 C 13 114.081 0.200 . 1 . . . A 1175 TRP CZ2 . 25559 1 215 . 1 1 18 18 TRP CH2 C 13 122.810 0.200 . 1 . . . A 1175 TRP CH2 . 25559 1 216 . 1 1 18 18 TRP N N 15 123.108 0.100 . 1 . . . A 1175 TRP N . 25559 1 217 . 1 1 18 18 TRP NE1 N 15 128.650 0.100 . 1 . . . A 1175 TRP NE1 . 25559 1 218 . 1 1 19 19 ILE H H 1 7.728 0.010 . 1 . . . A 1176 ILE H . 25559 1 219 . 1 1 19 19 ILE HA H 1 2.462 0.010 . 1 . . . A 1176 ILE HA . 25559 1 220 . 1 1 19 19 ILE HB H 1 0.930 0.010 . 1 . . . A 1176 ILE HB . 25559 1 221 . 1 1 19 19 ILE HG12 H 1 -0.491 0.010 . 2 . . . A 1176 ILE HG12 . 25559 1 222 . 1 1 19 19 ILE HG13 H 1 1.165 0.010 . 2 . . . A 1176 ILE HG13 . 25559 1 223 . 1 1 19 19 ILE HG21 H 1 -0.423 0.010 . 1 . . . A 1176 ILE HG21 . 25559 1 224 . 1 1 19 19 ILE HG22 H 1 -0.423 0.010 . 1 . . . A 1176 ILE HG22 . 25559 1 225 . 1 1 19 19 ILE HG23 H 1 -0.423 0.010 . 1 . . . A 1176 ILE HG23 . 25559 1 226 . 1 1 19 19 ILE HD11 H 1 0.517 0.010 . 1 . . . A 1176 ILE HD11 . 25559 1 227 . 1 1 19 19 ILE HD12 H 1 0.517 0.010 . 1 . . . A 1176 ILE HD12 . 25559 1 228 . 1 1 19 19 ILE HD13 H 1 0.517 0.010 . 1 . . . A 1176 ILE HD13 . 25559 1 229 . 1 1 19 19 ILE CA C 13 62.626 0.200 . 1 . . . A 1176 ILE CA . 25559 1 230 . 1 1 19 19 ILE CB C 13 38.418 0.200 . 1 . . . A 1176 ILE CB . 25559 1 231 . 1 1 19 19 ILE CG1 C 13 29.303 0.200 . 1 . . . A 1176 ILE CG1 . 25559 1 232 . 1 1 19 19 ILE CG2 C 13 16.839 0.200 . 1 . . . A 1176 ILE CG2 . 25559 1 233 . 1 1 19 19 ILE CD1 C 13 16.280 0.200 . 1 . . . A 1176 ILE CD1 . 25559 1 234 . 1 1 19 19 ILE N N 15 113.749 0.100 . 1 . . . A 1176 ILE N . 25559 1 235 . 1 1 20 20 THR H H 1 7.725 0.010 . 1 . . . A 1177 THR H . 25559 1 236 . 1 1 20 20 THR HA H 1 4.036 0.010 . 1 . . . A 1177 THR HA . 25559 1 237 . 1 1 20 20 THR HB H 1 4.188 0.010 . 1 . . . A 1177 THR HB . 25559 1 238 . 1 1 20 20 THR HG1 H 1 5.038 0.010 . 1 . . . A 1177 THR HG1 . 25559 1 239 . 1 1 20 20 THR HG21 H 1 1.141 0.010 . 1 . . . A 1177 THR HG21 . 25559 1 240 . 1 1 20 20 THR HG22 H 1 1.141 0.010 . 1 . . . A 1177 THR HG22 . 25559 1 241 . 1 1 20 20 THR HG23 H 1 1.141 0.010 . 1 . . . A 1177 THR HG23 . 25559 1 242 . 1 1 20 20 THR CA C 13 63.647 0.200 . 1 . . . A 1177 THR CA . 25559 1 243 . 1 1 20 20 THR CB C 13 69.925 0.200 . 1 . . . A 1177 THR CB . 25559 1 244 . 1 1 20 20 THR CG2 C 13 21.215 0.200 . 1 . . . A 1177 THR CG2 . 25559 1 245 . 1 1 20 20 THR N N 15 105.422 0.100 . 1 . . . A 1177 THR N . 25559 1 246 . 1 1 21 21 THR H H 1 7.466 0.010 . 1 . . . A 1178 THR H . 25559 1 247 . 1 1 21 21 THR HA H 1 4.545 0.010 . 1 . . . A 1178 THR HA . 25559 1 248 . 1 1 21 21 THR HB H 1 4.260 0.010 . 1 . . . A 1178 THR HB . 25559 1 249 . 1 1 21 21 THR HG1 H 1 5.344 0.010 . 1 . . . A 1178 THR HG1 . 25559 1 250 . 1 1 21 21 THR HG21 H 1 1.313 0.010 . 1 . . . A 1178 THR HG21 . 25559 1 251 . 1 1 21 21 THR HG22 H 1 1.313 0.010 . 1 . . . A 1178 THR HG22 . 25559 1 252 . 1 1 21 21 THR HG23 H 1 1.313 0.010 . 1 . . . A 1178 THR HG23 . 25559 1 253 . 1 1 21 21 THR CA C 13 63.108 0.200 . 1 . . . A 1178 THR CA . 25559 1 254 . 1 1 21 21 THR CB C 13 71.024 0.200 . 1 . . . A 1178 THR CB . 25559 1 255 . 1 1 21 21 THR CG2 C 13 21.066 0.200 . 1 . . . A 1178 THR CG2 . 25559 1 256 . 1 1 21 21 THR N N 15 110.850 0.100 . 1 . . . A 1178 THR N . 25559 1 257 . 1 1 22 22 ILE H H 1 7.611 0.010 . 1 . . . A 1179 ILE H . 25559 1 258 . 1 1 22 22 ILE HA H 1 4.486 0.010 . 1 . . . A 1179 ILE HA . 25559 1 259 . 1 1 22 22 ILE HB H 1 2.550 0.010 . 1 . . . A 1179 ILE HB . 25559 1 260 . 1 1 22 22 ILE HG12 H 1 1.395 0.010 . 1 . . . A 1179 ILE HG12 . 25559 1 261 . 1 1 22 22 ILE HG13 H 1 1.779 0.010 . 1 . . . A 1179 ILE HG13 . 25559 1 262 . 1 1 22 22 ILE HG21 H 1 0.855 0.010 . 1 . . . A 1179 ILE HG21 . 25559 1 263 . 1 1 22 22 ILE HG22 H 1 0.855 0.010 . 1 . . . A 1179 ILE HG22 . 25559 1 264 . 1 1 22 22 ILE HG23 H 1 0.855 0.010 . 1 . . . A 1179 ILE HG23 . 25559 1 265 . 1 1 22 22 ILE HD11 H 1 0.990 0.010 . 1 . . . A 1179 ILE HD11 . 25559 1 266 . 1 1 22 22 ILE HD12 H 1 0.990 0.010 . 1 . . . A 1179 ILE HD12 . 25559 1 267 . 1 1 22 22 ILE HD13 H 1 0.990 0.010 . 1 . . . A 1179 ILE HD13 . 25559 1 268 . 1 1 22 22 ILE CA C 13 58.369 0.200 . 1 . . . A 1179 ILE CA . 25559 1 269 . 1 1 22 22 ILE CB C 13 36.449 0.200 . 1 . . . A 1179 ILE CB . 25559 1 270 . 1 1 22 22 ILE CG1 C 13 28.204 0.200 . 1 . . . A 1179 ILE CG1 . 25559 1 271 . 1 1 22 22 ILE CG2 C 13 18.223 0.200 . 1 . . . A 1179 ILE CG2 . 25559 1 272 . 1 1 22 22 ILE CD1 C 13 10.836 0.200 . 1 . . . A 1179 ILE CD1 . 25559 1 273 . 1 1 22 22 ILE N N 15 124.448 0.100 . 1 . . . A 1179 ILE N . 25559 1 274 . 1 1 23 23 SER H H 1 8.493 0.010 . 1 . . . A 1180 SER H . 25559 1 275 . 1 1 23 23 SER HA H 1 4.512 0.010 . 1 . . . A 1180 SER HA . 25559 1 276 . 1 1 23 23 SER HB2 H 1 3.883 0.010 . 2 . . . A 1180 SER HB2 . 25559 1 277 . 1 1 23 23 SER HB3 H 1 3.963 0.010 . 2 . . . A 1180 SER HB3 . 25559 1 278 . 1 1 23 23 SER CA C 13 59.537 0.200 . 1 . . . A 1180 SER CA . 25559 1 279 . 1 1 23 23 SER CB C 13 64.034 0.200 . 1 . . . A 1180 SER CB . 25559 1 280 . 1 1 23 23 SER N N 15 120.064 0.100 . 1 . . . A 1180 SER N . 25559 1 281 . 1 1 24 24 ASP H H 1 7.317 0.010 . 1 . . . A 1181 ASP H . 25559 1 282 . 1 1 24 24 ASP HA H 1 4.814 0.010 . 1 . . . A 1181 ASP HA . 25559 1 283 . 1 1 24 24 ASP HB2 H 1 2.316 0.010 . 2 . . . A 1181 ASP HB2 . 25559 1 284 . 1 1 24 24 ASP HB3 H 1 2.524 0.010 . 2 . . . A 1181 ASP HB3 . 25559 1 285 . 1 1 24 24 ASP CA C 13 50.987 0.200 . 1 . . . A 1181 ASP CA . 25559 1 286 . 1 1 24 24 ASP CB C 13 41.599 0.200 . 1 . . . A 1181 ASP CB . 25559 1 287 . 1 1 24 24 ASP N N 15 119.705 0.100 . 1 . . . A 1181 ASP N . 25559 1 288 . 1 1 25 25 PRO HA H 1 4.195 0.010 . 1 . . . A 1182 PRO HA . 25559 1 289 . 1 1 25 25 PRO HB2 H 1 1.420 0.010 . 2 . . . A 1182 PRO HB2 . 25559 1 290 . 1 1 25 25 PRO HB3 H 1 1.420 0.010 . 2 . . . A 1182 PRO HB3 . 25559 1 291 . 1 1 25 25 PRO HG2 H 1 -0.255 0.010 . 1 . . . A 1182 PRO HG2 . 25559 1 292 . 1 1 25 25 PRO HG3 H 1 1.159 0.010 . 1 . . . A 1182 PRO HG3 . 25559 1 293 . 1 1 25 25 PRO HD2 H 1 1.891 0.010 . 1 . . . A 1182 PRO HD2 . 25559 1 294 . 1 1 25 25 PRO HD3 H 1 3.114 0.010 . 1 . . . A 1182 PRO HD3 . 25559 1 295 . 1 1 25 25 PRO CA C 13 62.047 0.200 . 1 . . . A 1182 PRO CA . 25559 1 296 . 1 1 25 25 PRO CB C 13 31.933 0.200 . 1 . . . A 1182 PRO CB . 25559 1 297 . 1 1 25 25 PRO CG C 13 25.716 0.200 . 1 . . . A 1182 PRO CG . 25559 1 298 . 1 1 25 25 PRO CD C 13 49.839 0.200 . 1 . . . A 1182 PRO CD . 25559 1 299 . 1 1 26 26 MET H H 1 9.485 0.010 . 1 . . . A 1183 MET H . 25559 1 300 . 1 1 26 26 MET HA H 1 4.498 0.010 . 1 . . . A 1183 MET HA . 25559 1 301 . 1 1 26 26 MET HB2 H 1 2.309 0.010 . 2 . . . A 1183 MET HB2 . 25559 1 302 . 1 1 26 26 MET HB3 H 1 2.427 0.010 . 2 . . . A 1183 MET HB3 . 25559 1 303 . 1 1 26 26 MET HG2 H 1 2.715 0.010 . 2 . . . A 1183 MET HG2 . 25559 1 304 . 1 1 26 26 MET HG3 H 1 2.936 0.010 . 2 . . . A 1183 MET HG3 . 25559 1 305 . 1 1 26 26 MET HE1 H 1 2.123 0.010 . 1 . . . A 1183 MET HE1 . 25559 1 306 . 1 1 26 26 MET HE2 H 1 2.123 0.010 . 1 . . . A 1183 MET HE2 . 25559 1 307 . 1 1 26 26 MET HE3 H 1 2.123 0.010 . 1 . . . A 1183 MET HE3 . 25559 1 308 . 1 1 26 26 MET CA C 13 55.032 0.200 . 1 . . . A 1183 MET CA . 25559 1 309 . 1 1 26 26 MET CB C 13 33.571 0.200 . 1 . . . A 1183 MET CB . 25559 1 310 . 1 1 26 26 MET CG C 13 32.817 0.200 . 1 . . . A 1183 MET CG . 25559 1 311 . 1 1 26 26 MET CE C 13 17.677 0.200 . 1 . . . A 1183 MET CE . 25559 1 312 . 1 1 26 26 MET N N 15 122.027 0.100 . 1 . . . A 1183 MET N . 25559 1 313 . 1 1 27 27 GLU H H 1 9.193 0.010 . 1 . . . A 1184 GLU H . 25559 1 314 . 1 1 27 27 GLU HA H 1 3.781 0.010 . 1 . . . A 1184 GLU HA . 25559 1 315 . 1 1 27 27 GLU HB2 H 1 1.955 0.010 . 1 . . . A 1184 GLU HB2 . 25559 1 316 . 1 1 27 27 GLU HB3 H 1 2.059 0.010 . 1 . . . A 1184 GLU HB3 . 25559 1 317 . 1 1 27 27 GLU HG2 H 1 2.128 0.010 . 2 . . . A 1184 GLU HG2 . 25559 1 318 . 1 1 27 27 GLU HG3 H 1 2.128 0.010 . 2 . . . A 1184 GLU HG3 . 25559 1 319 . 1 1 27 27 GLU CA C 13 60.382 0.200 . 1 . . . A 1184 GLU CA . 25559 1 320 . 1 1 27 27 GLU CB C 13 29.784 0.200 . 1 . . . A 1184 GLU CB . 25559 1 321 . 1 1 27 27 GLU CG C 13 36.312 0.200 . 1 . . . A 1184 GLU CG . 25559 1 322 . 1 1 27 27 GLU N N 15 126.425 0.100 . 1 . . . A 1184 GLU N . 25559 1 323 . 1 1 28 28 GLU H H 1 9.606 0.010 . 1 . . . A 1185 GLU H . 25559 1 324 . 1 1 28 28 GLU HA H 1 3.991 0.010 . 1 . . . A 1185 GLU HA . 25559 1 325 . 1 1 28 28 GLU HB2 H 1 1.935 0.010 . 2 . . . A 1185 GLU HB2 . 25559 1 326 . 1 1 28 28 GLU HB3 H 1 2.039 0.010 . 2 . . . A 1185 GLU HB3 . 25559 1 327 . 1 1 28 28 GLU HG2 H 1 2.364 0.010 . 2 . . . A 1185 GLU HG2 . 25559 1 328 . 1 1 28 28 GLU HG3 H 1 2.364 0.010 . 2 . . . A 1185 GLU HG3 . 25559 1 329 . 1 1 28 28 GLU CA C 13 60.177 0.200 . 1 . . . A 1185 GLU CA . 25559 1 330 . 1 1 28 28 GLU CB C 13 29.763 0.200 . 1 . . . A 1185 GLU CB . 25559 1 331 . 1 1 28 28 GLU CG C 13 36.965 0.200 . 1 . . . A 1185 GLU CG . 25559 1 332 . 1 1 28 28 GLU N N 15 116.252 0.100 . 1 . . . A 1185 GLU N . 25559 1 333 . 1 1 29 29 ASP H H 1 7.176 0.010 . 1 . . . A 1186 ASP H . 25559 1 334 . 1 1 29 29 ASP HA H 1 4.849 0.010 . 1 . . . A 1186 ASP HA . 25559 1 335 . 1 1 29 29 ASP HB2 H 1 2.592 0.010 . 1 . . . A 1186 ASP HB2 . 25559 1 336 . 1 1 29 29 ASP HB3 H 1 3.145 0.010 . 1 . . . A 1186 ASP HB3 . 25559 1 337 . 1 1 29 29 ASP CA C 13 57.731 0.200 . 1 . . . A 1186 ASP CA . 25559 1 338 . 1 1 29 29 ASP CB C 13 42.266 0.200 . 1 . . . A 1186 ASP CB . 25559 1 339 . 1 1 29 29 ASP N N 15 117.579 0.100 . 1 . . . A 1186 ASP N . 25559 1 340 . 1 1 30 30 ILE H H 1 8.047 0.010 . 1 . . . A 1187 ILE H . 25559 1 341 . 1 1 30 30 ILE HA H 1 3.883 0.010 . 1 . . . A 1187 ILE HA . 25559 1 342 . 1 1 30 30 ILE HB H 1 2.113 0.010 . 1 . . . A 1187 ILE HB . 25559 1 343 . 1 1 30 30 ILE HG12 H 1 1.162 0.010 . 1 . . . A 1187 ILE HG12 . 25559 1 344 . 1 1 30 30 ILE HG13 H 1 2.065 0.010 . 1 . . . A 1187 ILE HG13 . 25559 1 345 . 1 1 30 30 ILE HG21 H 1 1.071 0.010 . 1 . . . A 1187 ILE HG21 . 25559 1 346 . 1 1 30 30 ILE HG22 H 1 1.071 0.010 . 1 . . . A 1187 ILE HG22 . 25559 1 347 . 1 1 30 30 ILE HG23 H 1 1.071 0.010 . 1 . . . A 1187 ILE HG23 . 25559 1 348 . 1 1 30 30 ILE HD11 H 1 0.688 0.010 . 1 . . . A 1187 ILE HD11 . 25559 1 349 . 1 1 30 30 ILE HD12 H 1 0.688 0.010 . 1 . . . A 1187 ILE HD12 . 25559 1 350 . 1 1 30 30 ILE HD13 H 1 0.688 0.010 . 1 . . . A 1187 ILE HD13 . 25559 1 351 . 1 1 30 30 ILE CA C 13 66.569 0.200 . 1 . . . A 1187 ILE CA . 25559 1 352 . 1 1 30 30 ILE CB C 13 38.079 0.200 . 1 . . . A 1187 ILE CB . 25559 1 353 . 1 1 30 30 ILE CG1 C 13 29.903 0.200 . 1 . . . A 1187 ILE CG1 . 25559 1 354 . 1 1 30 30 ILE CG2 C 13 18.445 0.200 . 1 . . . A 1187 ILE CG2 . 25559 1 355 . 1 1 30 30 ILE CD1 C 13 13.477 0.200 . 1 . . . A 1187 ILE CD1 . 25559 1 356 . 1 1 30 30 ILE N N 15 121.269 0.100 . 1 . . . A 1187 ILE N . 25559 1 357 . 1 1 31 31 LEU H H 1 8.766 0.010 . 1 . . . A 1188 LEU H . 25559 1 358 . 1 1 31 31 LEU HA H 1 4.114 0.010 . 1 . . . A 1188 LEU HA . 25559 1 359 . 1 1 31 31 LEU HB2 H 1 1.544 0.010 . 1 . . . A 1188 LEU HB2 . 25559 1 360 . 1 1 31 31 LEU HB3 H 1 1.923 0.010 . 1 . . . A 1188 LEU HB3 . 25559 1 361 . 1 1 31 31 LEU HG H 1 1.882 0.010 . 1 . . . A 1188 LEU HG . 25559 1 362 . 1 1 31 31 LEU HD11 H 1 1.022 0.010 . 1 . . . A 1188 LEU HD11 . 25559 1 363 . 1 1 31 31 LEU HD12 H 1 1.022 0.010 . 1 . . . A 1188 LEU HD12 . 25559 1 364 . 1 1 31 31 LEU HD13 H 1 1.022 0.010 . 1 . . . A 1188 LEU HD13 . 25559 1 365 . 1 1 31 31 LEU HD21 H 1 0.941 0.010 . 1 . . . A 1188 LEU HD21 . 25559 1 366 . 1 1 31 31 LEU HD22 H 1 0.941 0.010 . 1 . . . A 1188 LEU HD22 . 25559 1 367 . 1 1 31 31 LEU HD23 H 1 0.941 0.010 . 1 . . . A 1188 LEU HD23 . 25559 1 368 . 1 1 31 31 LEU CA C 13 58.013 0.200 . 1 . . . A 1188 LEU CA . 25559 1 369 . 1 1 31 31 LEU CB C 13 41.085 0.200 . 1 . . . A 1188 LEU CB . 25559 1 370 . 1 1 31 31 LEU CG C 13 27.281 0.200 . 1 . . . A 1188 LEU CG . 25559 1 371 . 1 1 31 31 LEU CD1 C 13 22.247 0.200 . 1 . . . A 1188 LEU CD1 . 25559 1 372 . 1 1 31 31 LEU CD2 C 13 25.300 0.200 . 1 . . . A 1188 LEU CD2 . 25559 1 373 . 1 1 31 31 LEU N N 15 117.537 0.100 . 1 . . . A 1188 LEU N . 25559 1 374 . 1 1 32 32 GLN H H 1 7.782 0.010 . 1 . . . A 1189 GLN H . 25559 1 375 . 1 1 32 32 GLN HA H 1 4.110 0.010 . 1 . . . A 1189 GLN HA . 25559 1 376 . 1 1 32 32 GLN HB2 H 1 1.968 0.010 . 1 . . . A 1189 GLN HB2 . 25559 1 377 . 1 1 32 32 GLN HB3 H 1 2.257 0.010 . 1 . . . A 1189 GLN HB3 . 25559 1 378 . 1 1 32 32 GLN HG2 H 1 2.325 0.010 . 1 . . . A 1189 GLN HG2 . 25559 1 379 . 1 1 32 32 GLN HG3 H 1 2.592 0.010 . 1 . . . A 1189 GLN HG3 . 25559 1 380 . 1 1 32 32 GLN HE21 H 1 6.854 0.010 . 1 . . . A 1189 GLN HE21 . 25559 1 381 . 1 1 32 32 GLN HE22 H 1 7.490 0.010 . 1 . . . A 1189 GLN HE22 . 25559 1 382 . 1 1 32 32 GLN CA C 13 59.546 0.200 . 1 . . . A 1189 GLN CA . 25559 1 383 . 1 1 32 32 GLN CB C 13 28.198 0.200 . 1 . . . A 1189 GLN CB . 25559 1 384 . 1 1 32 32 GLN CG C 13 34.643 0.200 . 1 . . . A 1189 GLN CG . 25559 1 385 . 1 1 32 32 GLN N N 15 120.765 0.100 . 1 . . . A 1189 GLN N . 25559 1 386 . 1 1 32 32 GLN NE2 N 15 111.712 0.100 . 1 . . . A 1189 GLN NE2 . 25559 1 387 . 1 1 33 33 VAL H H 1 7.774 0.010 . 1 . . . A 1190 VAL H . 25559 1 388 . 1 1 33 33 VAL HA H 1 3.584 0.010 . 1 . . . A 1190 VAL HA . 25559 1 389 . 1 1 33 33 VAL HB H 1 2.452 0.010 . 1 . . . A 1190 VAL HB . 25559 1 390 . 1 1 33 33 VAL HG11 H 1 0.821 0.010 . 1 . . . A 1190 VAL HG11 . 25559 1 391 . 1 1 33 33 VAL HG12 H 1 0.821 0.010 . 1 . . . A 1190 VAL HG12 . 25559 1 392 . 1 1 33 33 VAL HG13 H 1 0.821 0.010 . 1 . . . A 1190 VAL HG13 . 25559 1 393 . 1 1 33 33 VAL HG21 H 1 1.144 0.010 . 1 . . . A 1190 VAL HG21 . 25559 1 394 . 1 1 33 33 VAL HG22 H 1 1.144 0.010 . 1 . . . A 1190 VAL HG22 . 25559 1 395 . 1 1 33 33 VAL HG23 H 1 1.144 0.010 . 1 . . . A 1190 VAL HG23 . 25559 1 396 . 1 1 33 33 VAL CA C 13 67.281 0.200 . 1 . . . A 1190 VAL CA . 25559 1 397 . 1 1 33 33 VAL CB C 13 31.453 0.200 . 1 . . . A 1190 VAL CB . 25559 1 398 . 1 1 33 33 VAL CG1 C 13 24.878 0.200 . 2 . . . A 1190 VAL CG1 . 25559 1 399 . 1 1 33 33 VAL CG2 C 13 22.815 0.200 . 2 . . . A 1190 VAL CG2 . 25559 1 400 . 1 1 33 33 VAL N N 15 122.647 0.100 . 1 . . . A 1190 VAL N . 25559 1 401 . 1 1 34 34 VAL H H 1 8.469 0.010 . 1 . . . A 1191 VAL H . 25559 1 402 . 1 1 34 34 VAL HA H 1 3.391 0.010 . 1 . . . A 1191 VAL HA . 25559 1 403 . 1 1 34 34 VAL HB H 1 2.343 0.010 . 1 . . . A 1191 VAL HB . 25559 1 404 . 1 1 34 34 VAL HG11 H 1 0.860 0.010 . 1 . . . A 1191 VAL HG11 . 25559 1 405 . 1 1 34 34 VAL HG12 H 1 0.860 0.010 . 1 . . . A 1191 VAL HG12 . 25559 1 406 . 1 1 34 34 VAL HG13 H 1 0.860 0.010 . 1 . . . A 1191 VAL HG13 . 25559 1 407 . 1 1 34 34 VAL HG21 H 1 1.228 0.010 . 1 . . . A 1191 VAL HG21 . 25559 1 408 . 1 1 34 34 VAL HG22 H 1 1.228 0.010 . 1 . . . A 1191 VAL HG22 . 25559 1 409 . 1 1 34 34 VAL HG23 H 1 1.228 0.010 . 1 . . . A 1191 VAL HG23 . 25559 1 410 . 1 1 34 34 VAL CA C 13 68.396 0.200 . 1 . . . A 1191 VAL CA . 25559 1 411 . 1 1 34 34 VAL CB C 13 31.680 0.200 . 1 . . . A 1191 VAL CB . 25559 1 412 . 1 1 34 34 VAL CG1 C 13 21.866 0.200 . 2 . . . A 1191 VAL CG1 . 25559 1 413 . 1 1 34 34 VAL CG2 C 13 25.041 0.200 . 2 . . . A 1191 VAL CG2 . 25559 1 414 . 1 1 34 34 VAL N N 15 121.326 0.100 . 1 . . . A 1191 VAL N . 25559 1 415 . 1 1 35 35 LYS H H 1 8.215 0.010 . 1 . . . A 1192 LYS H . 25559 1 416 . 1 1 35 35 LYS HA H 1 4.174 0.010 . 1 . . . A 1192 LYS HA . 25559 1 417 . 1 1 35 35 LYS HB2 H 1 1.909 0.010 . 2 . . . A 1192 LYS HB2 . 25559 1 418 . 1 1 35 35 LYS HB3 H 1 2.017 0.010 . 2 . . . A 1192 LYS HB3 . 25559 1 419 . 1 1 35 35 LYS HG2 H 1 1.458 0.010 . 2 . . . A 1192 LYS HG2 . 25559 1 420 . 1 1 35 35 LYS HG3 H 1 1.458 0.010 . 2 . . . A 1192 LYS HG3 . 25559 1 421 . 1 1 35 35 LYS HD2 H 1 1.597 0.010 . 2 . . . A 1192 LYS HD2 . 25559 1 422 . 1 1 35 35 LYS HD3 H 1 1.782 0.010 . 2 . . . A 1192 LYS HD3 . 25559 1 423 . 1 1 35 35 LYS HE2 H 1 3.017 0.010 . 2 . . . A 1192 LYS HE2 . 25559 1 424 . 1 1 35 35 LYS HE3 H 1 3.017 0.010 . 2 . . . A 1192 LYS HE3 . 25559 1 425 . 1 1 35 35 LYS CA C 13 58.600 0.200 . 1 . . . A 1192 LYS CA . 25559 1 426 . 1 1 35 35 LYS CB C 13 31.858 0.200 . 1 . . . A 1192 LYS CB . 25559 1 427 . 1 1 35 35 LYS CG C 13 24.920 0.200 . 1 . . . A 1192 LYS CG . 25559 1 428 . 1 1 35 35 LYS CD C 13 28.564 0.200 . 1 . . . A 1192 LYS CD . 25559 1 429 . 1 1 35 35 LYS CE C 13 42.505 0.200 . 1 . . . A 1192 LYS CE . 25559 1 430 . 1 1 35 35 LYS N N 15 120.765 0.100 . 1 . . . A 1192 LYS N . 25559 1 431 . 1 1 36 36 TYR H H 1 7.846 0.010 . 1 . . . A 1193 TYR H . 25559 1 432 . 1 1 36 36 TYR HA H 1 4.395 0.010 . 1 . . . A 1193 TYR HA . 25559 1 433 . 1 1 36 36 TYR HB2 H 1 3.118 0.010 . 2 . . . A 1193 TYR HB2 . 25559 1 434 . 1 1 36 36 TYR HB3 H 1 3.118 0.010 . 2 . . . A 1193 TYR HB3 . 25559 1 435 . 1 1 36 36 TYR HD1 H 1 6.917 0.010 . 3 . . . A 1193 TYR HD1 . 25559 1 436 . 1 1 36 36 TYR HD2 H 1 6.917 0.010 . 3 . . . A 1193 TYR HD2 . 25559 1 437 . 1 1 36 36 TYR HE1 H 1 6.548 0.010 . 3 . . . A 1193 TYR HE1 . 25559 1 438 . 1 1 36 36 TYR HE2 H 1 6.548 0.010 . 3 . . . A 1193 TYR HE2 . 25559 1 439 . 1 1 36 36 TYR CA C 13 61.283 0.200 . 1 . . . A 1193 TYR CA . 25559 1 440 . 1 1 36 36 TYR CB C 13 38.357 0.200 . 1 . . . A 1193 TYR CB . 25559 1 441 . 1 1 36 36 TYR CD1 C 13 132.560 0.200 . 1 . . . A 1193 TYR CD1 . 25559 1 442 . 1 1 36 36 TYR CE1 C 13 117.505 0.200 . 1 . . . A 1193 TYR CE1 . 25559 1 443 . 1 1 36 36 TYR N N 15 120.287 0.100 . 1 . . . A 1193 TYR N . 25559 1 444 . 1 1 37 37 CYS H H 1 8.061 0.010 . 1 . . . A 1194 CYS H . 25559 1 445 . 1 1 37 37 CYS HA H 1 3.689 0.010 . 1 . . . A 1194 CYS HA . 25559 1 446 . 1 1 37 37 CYS HB2 H 1 2.394 0.010 . 1 . . . A 1194 CYS HB2 . 25559 1 447 . 1 1 37 37 CYS HB3 H 1 3.222 0.010 . 1 . . . A 1194 CYS HB3 . 25559 1 448 . 1 1 37 37 CYS HG H 1 2.676 0.010 . 1 . . . A 1194 CYS HG . 25559 1 449 . 1 1 37 37 CYS CA C 13 64.517 0.200 . 1 . . . A 1194 CYS CA . 25559 1 450 . 1 1 37 37 CYS CB C 13 28.147 0.200 . 1 . . . A 1194 CYS CB . 25559 1 451 . 1 1 37 37 CYS N N 15 115.230 0.100 . 1 . . . A 1194 CYS N . 25559 1 452 . 1 1 38 38 THR H H 1 8.972 0.010 . 1 . . . A 1195 THR H . 25559 1 453 . 1 1 38 38 THR HA H 1 3.881 0.010 . 1 . . . A 1195 THR HA . 25559 1 454 . 1 1 38 38 THR HB H 1 4.494 0.010 . 1 . . . A 1195 THR HB . 25559 1 455 . 1 1 38 38 THR HG1 H 1 4.861 0.010 . 1 . . . A 1195 THR HG1 . 25559 1 456 . 1 1 38 38 THR HG21 H 1 1.210 0.010 . 1 . . . A 1195 THR HG21 . 25559 1 457 . 1 1 38 38 THR HG22 H 1 1.210 0.010 . 1 . . . A 1195 THR HG22 . 25559 1 458 . 1 1 38 38 THR HG23 H 1 1.210 0.010 . 1 . . . A 1195 THR HG23 . 25559 1 459 . 1 1 38 38 THR CA C 13 66.720 0.200 . 1 . . . A 1195 THR CA . 25559 1 460 . 1 1 38 38 THR CB C 13 67.756 0.200 . 1 . . . A 1195 THR CB . 25559 1 461 . 1 1 38 38 THR CG2 C 13 21.361 0.200 . 1 . . . A 1195 THR CG2 . 25559 1 462 . 1 1 38 38 THR N N 15 113.281 0.100 . 1 . . . A 1195 THR N . 25559 1 463 . 1 1 39 39 ASP H H 1 8.905 0.010 . 1 . . . A 1196 ASP H . 25559 1 464 . 1 1 39 39 ASP HA H 1 4.365 0.010 . 1 . . . A 1196 ASP HA . 25559 1 465 . 1 1 39 39 ASP HB2 H 1 2.509 0.010 . 1 . . . A 1196 ASP HB2 . 25559 1 466 . 1 1 39 39 ASP HB3 H 1 3.074 0.010 . 1 . . . A 1196 ASP HB3 . 25559 1 467 . 1 1 39 39 ASP CA C 13 57.822 0.200 . 1 . . . A 1196 ASP CA . 25559 1 468 . 1 1 39 39 ASP CB C 13 39.159 0.200 . 1 . . . A 1196 ASP CB . 25559 1 469 . 1 1 39 39 ASP N N 15 127.341 0.100 . 1 . . . A 1196 ASP N . 25559 1 470 . 1 1 40 40 LEU H H 1 7.595 0.010 . 1 . . . A 1197 LEU H . 25559 1 471 . 1 1 40 40 LEU HA H 1 3.942 0.010 . 1 . . . A 1197 LEU HA . 25559 1 472 . 1 1 40 40 LEU HB2 H 1 1.256 0.010 . 1 . . . A 1197 LEU HB2 . 25559 1 473 . 1 1 40 40 LEU HB3 H 1 2.070 0.010 . 1 . . . A 1197 LEU HB3 . 25559 1 474 . 1 1 40 40 LEU HG H 1 1.392 0.010 . 1 . . . A 1197 LEU HG . 25559 1 475 . 1 1 40 40 LEU HD11 H 1 0.558 0.010 . 1 . . . A 1197 LEU HD11 . 25559 1 476 . 1 1 40 40 LEU HD12 H 1 0.558 0.010 . 1 . . . A 1197 LEU HD12 . 25559 1 477 . 1 1 40 40 LEU HD13 H 1 0.558 0.010 . 1 . . . A 1197 LEU HD13 . 25559 1 478 . 1 1 40 40 LEU HD21 H 1 0.707 0.010 . 1 . . . A 1197 LEU HD21 . 25559 1 479 . 1 1 40 40 LEU HD22 H 1 0.707 0.010 . 1 . . . A 1197 LEU HD22 . 25559 1 480 . 1 1 40 40 LEU HD23 H 1 0.707 0.010 . 1 . . . A 1197 LEU HD23 . 25559 1 481 . 1 1 40 40 LEU CA C 13 58.188 0.200 . 1 . . . A 1197 LEU CA . 25559 1 482 . 1 1 40 40 LEU CB C 13 41.194 0.200 . 1 . . . A 1197 LEU CB . 25559 1 483 . 1 1 40 40 LEU CG C 13 25.622 0.200 . 1 . . . A 1197 LEU CG . 25559 1 484 . 1 1 40 40 LEU CD1 C 13 25.353 0.200 . 2 . . . A 1197 LEU CD1 . 25559 1 485 . 1 1 40 40 LEU CD2 C 13 22.178 0.200 . 2 . . . A 1197 LEU CD2 . 25559 1 486 . 1 1 40 40 LEU N N 15 118.448 0.100 . 1 . . . A 1197 LEU N . 25559 1 487 . 1 1 41 41 ILE H H 1 7.520 0.010 . 1 . . . A 1198 ILE H . 25559 1 488 . 1 1 41 41 ILE HA H 1 3.417 0.010 . 1 . . . A 1198 ILE HA . 25559 1 489 . 1 1 41 41 ILE HB H 1 2.119 0.010 . 1 . . . A 1198 ILE HB . 25559 1 490 . 1 1 41 41 ILE HG12 H 1 0.689 0.010 . 1 . . . A 1198 ILE HG12 . 25559 1 491 . 1 1 41 41 ILE HG13 H 1 2.038 0.010 . 1 . . . A 1198 ILE HG13 . 25559 1 492 . 1 1 41 41 ILE HG21 H 1 0.915 0.010 . 1 . . . A 1198 ILE HG21 . 25559 1 493 . 1 1 41 41 ILE HG22 H 1 0.915 0.010 . 1 . . . A 1198 ILE HG22 . 25559 1 494 . 1 1 41 41 ILE HG23 H 1 0.915 0.010 . 1 . . . A 1198 ILE HG23 . 25559 1 495 . 1 1 41 41 ILE HD11 H 1 0.814 0.010 . 1 . . . A 1198 ILE HD11 . 25559 1 496 . 1 1 41 41 ILE HD12 H 1 0.814 0.010 . 1 . . . A 1198 ILE HD12 . 25559 1 497 . 1 1 41 41 ILE HD13 H 1 0.814 0.010 . 1 . . . A 1198 ILE HD13 . 25559 1 498 . 1 1 41 41 ILE CA C 13 66.289 0.200 . 1 . . . A 1198 ILE CA . 25559 1 499 . 1 1 41 41 ILE CB C 13 37.823 0.200 . 1 . . . A 1198 ILE CB . 25559 1 500 . 1 1 41 41 ILE CG1 C 13 30.615 0.200 . 1 . . . A 1198 ILE CG1 . 25559 1 501 . 1 1 41 41 ILE CG2 C 13 17.898 0.200 . 1 . . . A 1198 ILE CG2 . 25559 1 502 . 1 1 41 41 ILE CD1 C 13 15.172 0.200 . 1 . . . A 1198 ILE CD1 . 25559 1 503 . 1 1 41 41 ILE N N 15 118.250 0.100 . 1 . . . A 1198 ILE N . 25559 1 504 . 1 1 42 42 GLU H H 1 8.402 0.010 . 1 . . . A 1199 GLU H . 25559 1 505 . 1 1 42 42 GLU HA H 1 3.970 0.010 . 1 . . . A 1199 GLU HA . 25559 1 506 . 1 1 42 42 GLU HB2 H 1 2.215 0.010 . 2 . . . A 1199 GLU HB2 . 25559 1 507 . 1 1 42 42 GLU HB3 H 1 2.215 0.010 . 2 . . . A 1199 GLU HB3 . 25559 1 508 . 1 1 42 42 GLU HG2 H 1 2.247 0.010 . 1 . . . A 1199 GLU HG2 . 25559 1 509 . 1 1 42 42 GLU HG3 H 1 2.448 0.010 . 1 . . . A 1199 GLU HG3 . 25559 1 510 . 1 1 42 42 GLU CA C 13 59.814 0.200 . 1 . . . A 1199 GLU CA . 25559 1 511 . 1 1 42 42 GLU CB C 13 29.200 0.200 . 1 . . . A 1199 GLU CB . 25559 1 512 . 1 1 42 42 GLU CG C 13 36.391 0.200 . 1 . . . A 1199 GLU CG . 25559 1 513 . 1 1 42 42 GLU N N 15 124.017 0.100 . 1 . . . A 1199 GLU N . 25559 1 514 . 1 1 43 43 GLU H H 1 8.074 0.010 . 1 . . . A 1200 GLU H . 25559 1 515 . 1 1 43 43 GLU HA H 1 4.110 0.010 . 1 . . . A 1200 GLU HA . 25559 1 516 . 1 1 43 43 GLU HB2 H 1 2.071 0.010 . 2 . . . A 1200 GLU HB2 . 25559 1 517 . 1 1 43 43 GLU HB3 H 1 2.110 0.010 . 2 . . . A 1200 GLU HB3 . 25559 1 518 . 1 1 43 43 GLU HG2 H 1 2.329 0.010 . 2 . . . A 1200 GLU HG2 . 25559 1 519 . 1 1 43 43 GLU HG3 H 1 2.445 0.010 . 2 . . . A 1200 GLU HG3 . 25559 1 520 . 1 1 43 43 GLU CA C 13 56.366 0.200 . 1 . . . A 1200 GLU CA . 25559 1 521 . 1 1 43 43 GLU CB C 13 29.591 0.200 . 1 . . . A 1200 GLU CB . 25559 1 522 . 1 1 43 43 GLU CG C 13 36.157 0.200 . 1 . . . A 1200 GLU CG . 25559 1 523 . 1 1 43 43 GLU N N 15 116.722 0.100 . 1 . . . A 1200 GLU N . 25559 1 524 . 1 1 44 44 LYS H H 1 8.103 0.010 . 1 . . . A 1201 LYS H . 25559 1 525 . 1 1 44 44 LYS HA H 1 3.671 0.010 . 1 . . . A 1201 LYS HA . 25559 1 526 . 1 1 44 44 LYS HB2 H 1 2.117 0.010 . 2 . . . A 1201 LYS HB2 . 25559 1 527 . 1 1 44 44 LYS HB3 H 1 2.117 0.010 . 2 . . . A 1201 LYS HB3 . 25559 1 528 . 1 1 44 44 LYS HG2 H 1 1.256 0.010 . 2 . . . A 1201 LYS HG2 . 25559 1 529 . 1 1 44 44 LYS HG3 H 1 1.437 0.010 . 2 . . . A 1201 LYS HG3 . 25559 1 530 . 1 1 44 44 LYS HD2 H 1 1.620 0.010 . 2 . . . A 1201 LYS HD2 . 25559 1 531 . 1 1 44 44 LYS HD3 H 1 1.717 0.010 . 2 . . . A 1201 LYS HD3 . 25559 1 532 . 1 1 44 44 LYS HE2 H 1 2.863 0.010 . 2 . . . A 1201 LYS HE2 . 25559 1 533 . 1 1 44 44 LYS HE3 H 1 2.922 0.010 . 2 . . . A 1201 LYS HE3 . 25559 1 534 . 1 1 44 44 LYS HZ1 H 1 7.530 0.010 . 1 . . . A 1201 LYS HZ1 . 25559 1 535 . 1 1 44 44 LYS HZ2 H 1 7.530 0.010 . 1 . . . A 1201 LYS HZ2 . 25559 1 536 . 1 1 44 44 LYS HZ3 H 1 7.530 0.010 . 1 . . . A 1201 LYS HZ3 . 25559 1 537 . 1 1 44 44 LYS CA C 13 57.476 0.200 . 1 . . . A 1201 LYS CA . 25559 1 538 . 1 1 44 44 LYS CB C 13 29.479 0.200 . 1 . . . A 1201 LYS CB . 25559 1 539 . 1 1 44 44 LYS CG C 13 26.028 0.200 . 1 . . . A 1201 LYS CG . 25559 1 540 . 1 1 44 44 LYS CD C 13 29.468 0.200 . 1 . . . A 1201 LYS CD . 25559 1 541 . 1 1 44 44 LYS CE C 13 42.370 0.200 . 1 . . . A 1201 LYS CE . 25559 1 542 . 1 1 44 44 LYS N N 15 117.351 0.100 . 1 . . . A 1201 LYS N . 25559 1 543 . 1 1 45 45 ASP H H 1 8.616 0.010 . 1 . . . A 1202 ASP H . 25559 1 544 . 1 1 45 45 ASP HA H 1 5.056 0.010 . 1 . . . A 1202 ASP HA . 25559 1 545 . 1 1 45 45 ASP HB2 H 1 2.189 0.010 . 1 . . . A 1202 ASP HB2 . 25559 1 546 . 1 1 45 45 ASP HB3 H 1 3.031 0.010 . 1 . . . A 1202 ASP HB3 . 25559 1 547 . 1 1 45 45 ASP CA C 13 51.357 0.200 . 1 . . . A 1202 ASP CA . 25559 1 548 . 1 1 45 45 ASP CB C 13 39.127 0.200 . 1 . . . A 1202 ASP CB . 25559 1 549 . 1 1 45 45 ASP N N 15 122.957 0.100 . 1 . . . A 1202 ASP N . 25559 1 550 . 1 1 46 46 LEU H H 1 7.538 0.010 . 1 . . . A 1203 LEU H . 25559 1 551 . 1 1 46 46 LEU HA H 1 3.870 0.010 . 1 . . . A 1203 LEU HA . 25559 1 552 . 1 1 46 46 LEU HB2 H 1 1.395 0.010 . 1 . . . A 1203 LEU HB2 . 25559 1 553 . 1 1 46 46 LEU HB3 H 1 1.654 0.010 . 1 . . . A 1203 LEU HB3 . 25559 1 554 . 1 1 46 46 LEU HG H 1 1.440 0.010 . 1 . . . A 1203 LEU HG . 25559 1 555 . 1 1 46 46 LEU HD11 H 1 0.607 0.010 . 1 . . . A 1203 LEU HD11 . 25559 1 556 . 1 1 46 46 LEU HD12 H 1 0.607 0.010 . 1 . . . A 1203 LEU HD12 . 25559 1 557 . 1 1 46 46 LEU HD13 H 1 0.607 0.010 . 1 . . . A 1203 LEU HD13 . 25559 1 558 . 1 1 46 46 LEU HD21 H 1 0.577 0.010 . 1 . . . A 1203 LEU HD21 . 25559 1 559 . 1 1 46 46 LEU HD22 H 1 0.577 0.010 . 1 . . . A 1203 LEU HD22 . 25559 1 560 . 1 1 46 46 LEU HD23 H 1 0.577 0.010 . 1 . . . A 1203 LEU HD23 . 25559 1 561 . 1 1 46 46 LEU CA C 13 56.727 0.200 . 1 . . . A 1203 LEU CA . 25559 1 562 . 1 1 46 46 LEU CB C 13 40.160 0.200 . 1 . . . A 1203 LEU CB . 25559 1 563 . 1 1 46 46 LEU CG C 13 27.723 0.200 . 1 . . . A 1203 LEU CG . 25559 1 564 . 1 1 46 46 LEU CD1 C 13 22.559 0.200 . 2 . . . A 1203 LEU CD1 . 25559 1 565 . 1 1 46 46 LEU CD2 C 13 24.738 0.200 . 2 . . . A 1203 LEU CD2 . 25559 1 566 . 1 1 46 46 LEU N N 15 119.238 0.100 . 1 . . . A 1203 LEU N . 25559 1 567 . 1 1 47 47 GLU H H 1 8.643 0.010 . 1 . . . A 1204 GLU H . 25559 1 568 . 1 1 47 47 GLU HA H 1 4.054 0.010 . 1 . . . A 1204 GLU HA . 25559 1 569 . 1 1 47 47 GLU HB2 H 1 2.044 0.010 . 2 . . . A 1204 GLU HB2 . 25559 1 570 . 1 1 47 47 GLU HB3 H 1 2.044 0.010 . 2 . . . A 1204 GLU HB3 . 25559 1 571 . 1 1 47 47 GLU HG2 H 1 2.134 0.010 . 2 . . . A 1204 GLU HG2 . 25559 1 572 . 1 1 47 47 GLU HG3 H 1 2.267 0.010 . 2 . . . A 1204 GLU HG3 . 25559 1 573 . 1 1 47 47 GLU CA C 13 59.546 0.200 . 1 . . . A 1204 GLU CA . 25559 1 574 . 1 1 47 47 GLU CB C 13 29.381 0.200 . 1 . . . A 1204 GLU CB . 25559 1 575 . 1 1 47 47 GLU CG C 13 36.518 0.200 . 1 . . . A 1204 GLU CG . 25559 1 576 . 1 1 47 47 GLU N N 15 121.609 0.100 . 1 . . . A 1204 GLU N . 25559 1 577 . 1 1 48 48 LYS H H 1 7.477 0.010 . 1 . . . A 1205 LYS H . 25559 1 578 . 1 1 48 48 LYS HA H 1 3.685 0.010 . 1 . . . A 1205 LYS HA . 25559 1 579 . 1 1 48 48 LYS HB2 H 1 1.449 0.010 . 1 . . . A 1205 LYS HB2 . 25559 1 580 . 1 1 48 48 LYS HB3 H 1 1.699 0.010 . 1 . . . A 1205 LYS HB3 . 25559 1 581 . 1 1 48 48 LYS HG2 H 1 1.176 0.010 . 2 . . . A 1205 LYS HG2 . 25559 1 582 . 1 1 48 48 LYS HG3 H 1 1.176 0.010 . 2 . . . A 1205 LYS HG3 . 25559 1 583 . 1 1 48 48 LYS HD2 H 1 1.475 0.010 . 1 . . . A 1205 LYS HD2 . 25559 1 584 . 1 1 48 48 LYS HD3 H 1 1.666 0.010 . 1 . . . A 1205 LYS HD3 . 25559 1 585 . 1 1 48 48 LYS HE2 H 1 2.903 0.010 . 1 . . . A 1205 LYS HE2 . 25559 1 586 . 1 1 48 48 LYS HE3 H 1 2.972 0.010 . 1 . . . A 1205 LYS HE3 . 25559 1 587 . 1 1 48 48 LYS CA C 13 59.551 0.200 . 1 . . . A 1205 LYS CA . 25559 1 588 . 1 1 48 48 LYS CB C 13 32.537 0.200 . 1 . . . A 1205 LYS CB . 25559 1 589 . 1 1 48 48 LYS CG C 13 25.499 0.200 . 1 . . . A 1205 LYS CG . 25559 1 590 . 1 1 48 48 LYS CD C 13 28.877 0.200 . 1 . . . A 1205 LYS CD . 25559 1 591 . 1 1 48 48 LYS CE C 13 41.580 0.200 . 1 . . . A 1205 LYS CE . 25559 1 592 . 1 1 48 48 LYS N N 15 119.579 0.100 . 1 . . . A 1205 LYS N . 25559 1 593 . 1 1 49 49 LEU H H 1 7.552 0.010 . 1 . . . A 1206 LEU H . 25559 1 594 . 1 1 49 49 LEU HA H 1 3.932 0.010 . 1 . . . A 1206 LEU HA . 25559 1 595 . 1 1 49 49 LEU HB2 H 1 1.290 0.010 . 1 . . . A 1206 LEU HB2 . 25559 1 596 . 1 1 49 49 LEU HB3 H 1 1.947 0.010 . 1 . . . A 1206 LEU HB3 . 25559 1 597 . 1 1 49 49 LEU HG H 1 1.548 0.010 . 1 . . . A 1206 LEU HG . 25559 1 598 . 1 1 49 49 LEU HD11 H 1 0.842 0.010 . 1 . . . A 1206 LEU HD11 . 25559 1 599 . 1 1 49 49 LEU HD12 H 1 0.842 0.010 . 1 . . . A 1206 LEU HD12 . 25559 1 600 . 1 1 49 49 LEU HD13 H 1 0.842 0.010 . 1 . . . A 1206 LEU HD13 . 25559 1 601 . 1 1 49 49 LEU HD21 H 1 0.957 0.010 . 1 . . . A 1206 LEU HD21 . 25559 1 602 . 1 1 49 49 LEU HD22 H 1 0.957 0.010 . 1 . . . A 1206 LEU HD22 . 25559 1 603 . 1 1 49 49 LEU HD23 H 1 0.957 0.010 . 1 . . . A 1206 LEU HD23 . 25559 1 604 . 1 1 49 49 LEU CA C 13 57.972 0.200 . 1 . . . A 1206 LEU CA . 25559 1 605 . 1 1 49 49 LEU CB C 13 41.466 0.200 . 1 . . . A 1206 LEU CB . 25559 1 606 . 1 1 49 49 LEU CG C 13 26.783 0.200 . 1 . . . A 1206 LEU CG . 25559 1 607 . 1 1 49 49 LEU CD1 C 13 26.754 0.200 . 2 . . . A 1206 LEU CD1 . 25559 1 608 . 1 1 49 49 LEU CD2 C 13 23.290 0.200 . 2 . . . A 1206 LEU CD2 . 25559 1 609 . 1 1 49 49 LEU N N 15 118.088 0.100 . 1 . . . A 1206 LEU N . 25559 1 610 . 1 1 50 50 ASP H H 1 7.808 0.010 . 1 . . . A 1207 ASP H . 25559 1 611 . 1 1 50 50 ASP HA H 1 4.257 0.010 . 1 . . . A 1207 ASP HA . 25559 1 612 . 1 1 50 50 ASP HB2 H 1 2.712 0.010 . 2 . . . A 1207 ASP HB2 . 25559 1 613 . 1 1 50 50 ASP HB3 H 1 2.712 0.010 . 2 . . . A 1207 ASP HB3 . 25559 1 614 . 1 1 50 50 ASP CA C 13 57.919 0.200 . 1 . . . A 1207 ASP CA . 25559 1 615 . 1 1 50 50 ASP CB C 13 42.233 0.200 . 1 . . . A 1207 ASP CB . 25559 1 616 . 1 1 50 50 ASP N N 15 117.589 0.100 . 1 . . . A 1207 ASP N . 25559 1 617 . 1 1 51 51 LEU H H 1 7.583 0.010 . 1 . . . A 1208 LEU H . 25559 1 618 . 1 1 51 51 LEU HA H 1 3.978 0.010 . 1 . . . A 1208 LEU HA . 25559 1 619 . 1 1 51 51 LEU HB2 H 1 1.169 0.010 . 1 . . . A 1208 LEU HB2 . 25559 1 620 . 1 1 51 51 LEU HB3 H 1 1.752 0.010 . 1 . . . A 1208 LEU HB3 . 25559 1 621 . 1 1 51 51 LEU HG H 1 1.797 0.010 . 1 . . . A 1208 LEU HG . 25559 1 622 . 1 1 51 51 LEU HD11 H 1 0.608 0.010 . 1 . . . A 1208 LEU HD11 . 25559 1 623 . 1 1 51 51 LEU HD12 H 1 0.608 0.010 . 1 . . . A 1208 LEU HD12 . 25559 1 624 . 1 1 51 51 LEU HD13 H 1 0.608 0.010 . 1 . . . A 1208 LEU HD13 . 25559 1 625 . 1 1 51 51 LEU HD21 H 1 0.771 0.010 . 1 . . . A 1208 LEU HD21 . 25559 1 626 . 1 1 51 51 LEU HD22 H 1 0.771 0.010 . 1 . . . A 1208 LEU HD22 . 25559 1 627 . 1 1 51 51 LEU HD23 H 1 0.771 0.010 . 1 . . . A 1208 LEU HD23 . 25559 1 628 . 1 1 51 51 LEU CA C 13 58.163 0.200 . 1 . . . A 1208 LEU CA . 25559 1 629 . 1 1 51 51 LEU CB C 13 42.338 0.200 . 1 . . . A 1208 LEU CB . 25559 1 630 . 1 1 51 51 LEU CG C 13 26.325 0.200 . 1 . . . A 1208 LEU CG . 25559 1 631 . 1 1 51 51 LEU CD1 C 13 25.348 0.200 . 2 . . . A 1208 LEU CD1 . 25559 1 632 . 1 1 51 51 LEU CD2 C 13 22.541 0.200 . 2 . . . A 1208 LEU CD2 . 25559 1 633 . 1 1 51 51 LEU N N 15 116.056 0.100 . 1 . . . A 1208 LEU N . 25559 1 634 . 1 1 52 52 VAL H H 1 8.926 0.010 . 1 . . . A 1209 VAL H . 25559 1 635 . 1 1 52 52 VAL HA H 1 4.033 0.010 . 1 . . . A 1209 VAL HA . 25559 1 636 . 1 1 52 52 VAL HB H 1 2.507 0.010 . 1 . . . A 1209 VAL HB . 25559 1 637 . 1 1 52 52 VAL HG11 H 1 1.303 0.010 . 1 . . . A 1209 VAL HG11 . 25559 1 638 . 1 1 52 52 VAL HG12 H 1 1.303 0.010 . 1 . . . A 1209 VAL HG12 . 25559 1 639 . 1 1 52 52 VAL HG13 H 1 1.303 0.010 . 1 . . . A 1209 VAL HG13 . 25559 1 640 . 1 1 52 52 VAL HG21 H 1 1.307 0.010 . 1 . . . A 1209 VAL HG21 . 25559 1 641 . 1 1 52 52 VAL HG22 H 1 1.307 0.010 . 1 . . . A 1209 VAL HG22 . 25559 1 642 . 1 1 52 52 VAL HG23 H 1 1.307 0.010 . 1 . . . A 1209 VAL HG23 . 25559 1 643 . 1 1 52 52 VAL CA C 13 66.817 0.200 . 1 . . . A 1209 VAL CA . 25559 1 644 . 1 1 52 52 VAL CB C 13 32.044 0.200 . 1 . . . A 1209 VAL CB . 25559 1 645 . 1 1 52 52 VAL CG1 C 13 21.443 0.200 . 2 . . . A 1209 VAL CG1 . 25559 1 646 . 1 1 52 52 VAL CG2 C 13 24.359 0.200 . 2 . . . A 1209 VAL CG2 . 25559 1 647 . 1 1 52 52 VAL N N 15 121.412 0.100 . 1 . . . A 1209 VAL N . 25559 1 648 . 1 1 53 53 ILE H H 1 8.779 0.010 . 1 . . . A 1210 ILE H . 25559 1 649 . 1 1 53 53 ILE HA H 1 4.012 0.010 . 1 . . . A 1210 ILE HA . 25559 1 650 . 1 1 53 53 ILE HB H 1 2.342 0.010 . 1 . . . A 1210 ILE HB . 25559 1 651 . 1 1 53 53 ILE HG12 H 1 1.490 0.010 . 1 . . . A 1210 ILE HG12 . 25559 1 652 . 1 1 53 53 ILE HG13 H 1 1.680 0.010 . 1 . . . A 1210 ILE HG13 . 25559 1 653 . 1 1 53 53 ILE HG21 H 1 1.078 0.010 . 1 . . . A 1210 ILE HG21 . 25559 1 654 . 1 1 53 53 ILE HG22 H 1 1.078 0.010 . 1 . . . A 1210 ILE HG22 . 25559 1 655 . 1 1 53 53 ILE HG23 H 1 1.078 0.010 . 1 . . . A 1210 ILE HG23 . 25559 1 656 . 1 1 53 53 ILE HD11 H 1 0.809 0.010 . 1 . . . A 1210 ILE HD11 . 25559 1 657 . 1 1 53 53 ILE HD12 H 1 0.809 0.010 . 1 . . . A 1210 ILE HD12 . 25559 1 658 . 1 1 53 53 ILE HD13 H 1 0.809 0.010 . 1 . . . A 1210 ILE HD13 . 25559 1 659 . 1 1 53 53 ILE CA C 13 63.563 0.200 . 1 . . . A 1210 ILE CA . 25559 1 660 . 1 1 53 53 ILE CB C 13 35.616 0.200 . 1 . . . A 1210 ILE CB . 25559 1 661 . 1 1 53 53 ILE CG1 C 13 27.843 0.200 . 1 . . . A 1210 ILE CG1 . 25559 1 662 . 1 1 53 53 ILE CG2 C 13 17.618 0.200 . 1 . . . A 1210 ILE CG2 . 25559 1 663 . 1 1 53 53 ILE CD1 C 13 10.265 0.200 . 1 . . . A 1210 ILE CD1 . 25559 1 664 . 1 1 53 53 ILE N N 15 123.298 0.100 . 1 . . . A 1210 ILE N . 25559 1 665 . 1 1 54 54 LYS H H 1 8.359 0.010 . 1 . . . A 1211 LYS H . 25559 1 666 . 1 1 54 54 LYS HA H 1 3.871 0.010 . 1 . . . A 1211 LYS HA . 25559 1 667 . 1 1 54 54 LYS HB2 H 1 1.874 0.010 . 1 . . . A 1211 LYS HB2 . 25559 1 668 . 1 1 54 54 LYS HB3 H 1 1.948 0.010 . 1 . . . A 1211 LYS HB3 . 25559 1 669 . 1 1 54 54 LYS HG2 H 1 1.468 0.010 . 1 . . . A 1211 LYS HG2 . 25559 1 670 . 1 1 54 54 LYS HG3 H 1 1.732 0.010 . 1 . . . A 1211 LYS HG3 . 25559 1 671 . 1 1 54 54 LYS HD2 H 1 1.581 0.010 . 2 . . . A 1211 LYS HD2 . 25559 1 672 . 1 1 54 54 LYS HD3 H 1 1.650 0.010 . 2 . . . A 1211 LYS HD3 . 25559 1 673 . 1 1 54 54 LYS HE2 H 1 2.988 0.010 . 2 . . . A 1211 LYS HE2 . 25559 1 674 . 1 1 54 54 LYS HE3 H 1 2.988 0.010 . 2 . . . A 1211 LYS HE3 . 25559 1 675 . 1 1 54 54 LYS CA C 13 60.545 0.200 . 1 . . . A 1211 LYS CA . 25559 1 676 . 1 1 54 54 LYS CB C 13 32.825 0.200 . 1 . . . A 1211 LYS CB . 25559 1 677 . 1 1 54 54 LYS CG C 13 27.211 0.200 . 1 . . . A 1211 LYS CG . 25559 1 678 . 1 1 54 54 LYS CD C 13 29.421 0.200 . 1 . . . A 1211 LYS CD . 25559 1 679 . 1 1 54 54 LYS CE C 13 42.166 0.200 . 1 . . . A 1211 LYS CE . 25559 1 680 . 1 1 54 54 LYS N N 15 118.983 0.100 . 1 . . . A 1211 LYS N . 25559 1 681 . 1 1 55 55 TYR H H 1 8.233 0.010 . 1 . . . A 1212 TYR H . 25559 1 682 . 1 1 55 55 TYR HA H 1 4.303 0.010 . 1 . . . A 1212 TYR HA . 25559 1 683 . 1 1 55 55 TYR HB2 H 1 3.135 0.010 . 1 . . . A 1212 TYR HB2 . 25559 1 684 . 1 1 55 55 TYR HB3 H 1 3.429 0.010 . 1 . . . A 1212 TYR HB3 . 25559 1 685 . 1 1 55 55 TYR HD1 H 1 7.039 0.010 . 1 . . . A 1212 TYR HD1 . 25559 1 686 . 1 1 55 55 TYR HD2 H 1 7.039 0.010 . 1 . . . A 1212 TYR HD2 . 25559 1 687 . 1 1 55 55 TYR HE1 H 1 6.829 0.010 . 3 . . . A 1212 TYR HE1 . 25559 1 688 . 1 1 55 55 TYR HE2 H 1 6.829 0.010 . 3 . . . A 1212 TYR HE2 . 25559 1 689 . 1 1 55 55 TYR CA C 13 61.894 0.200 . 1 . . . A 1212 TYR CA . 25559 1 690 . 1 1 55 55 TYR CB C 13 39.100 0.200 . 1 . . . A 1212 TYR CB . 25559 1 691 . 1 1 55 55 TYR CD1 C 13 132.161 0.200 . 1 . . . A 1212 TYR CD1 . 25559 1 692 . 1 1 55 55 TYR CE1 C 13 119.381 0.200 . 1 . . . A 1212 TYR CE1 . 25559 1 693 . 1 1 55 55 TYR N N 15 121.286 0.100 . 1 . . . A 1212 TYR N . 25559 1 694 . 1 1 56 56 MET H H 1 8.630 0.010 . 1 . . . A 1213 MET H . 25559 1 695 . 1 1 56 56 MET HA H 1 3.687 0.010 . 1 . . . A 1213 MET HA . 25559 1 696 . 1 1 56 56 MET HB2 H 1 2.433 0.010 . 2 . . . A 1213 MET HB2 . 25559 1 697 . 1 1 56 56 MET HB3 H 1 2.706 0.010 . 2 . . . A 1213 MET HB3 . 25559 1 698 . 1 1 56 56 MET HG2 H 1 3.290 0.010 . 2 . . . A 1213 MET HG2 . 25559 1 699 . 1 1 56 56 MET HG3 H 1 3.290 0.010 . 2 . . . A 1213 MET HG3 . 25559 1 700 . 1 1 56 56 MET HE1 H 1 2.148 0.010 . 1 . . . A 1213 MET HE1 . 25559 1 701 . 1 1 56 56 MET HE2 H 1 2.148 0.010 . 1 . . . A 1213 MET HE2 . 25559 1 702 . 1 1 56 56 MET HE3 H 1 2.148 0.010 . 1 . . . A 1213 MET HE3 . 25559 1 703 . 1 1 56 56 MET CA C 13 60.850 0.200 . 1 . . . A 1213 MET CA . 25559 1 704 . 1 1 56 56 MET CB C 13 33.975 0.200 . 1 . . . A 1213 MET CB . 25559 1 705 . 1 1 56 56 MET CG C 13 33.898 0.200 . 1 . . . A 1213 MET CG . 25559 1 706 . 1 1 56 56 MET CE C 13 17.065 0.200 . 1 . . . A 1213 MET CE . 25559 1 707 . 1 1 56 56 MET N N 15 116.278 0.100 . 1 . . . A 1213 MET N . 25559 1 708 . 1 1 57 57 LYS H H 1 8.685 0.010 . 1 . . . A 1214 LYS H . 25559 1 709 . 1 1 57 57 LYS HA H 1 2.511 0.010 . 1 . . . A 1214 LYS HA . 25559 1 710 . 1 1 57 57 LYS HB2 H 1 1.602 0.010 . 2 . . . A 1214 LYS HB2 . 25559 1 711 . 1 1 57 57 LYS HB3 H 1 1.602 0.010 . 2 . . . A 1214 LYS HB3 . 25559 1 712 . 1 1 57 57 LYS HG2 H 1 0.386 0.010 . 2 . . . A 1214 LYS HG2 . 25559 1 713 . 1 1 57 57 LYS HG3 H 1 0.856 0.010 . 2 . . . A 1214 LYS HG3 . 25559 1 714 . 1 1 57 57 LYS HD2 H 1 1.463 0.010 . 2 . . . A 1214 LYS HD2 . 25559 1 715 . 1 1 57 57 LYS HD3 H 1 1.463 0.010 . 2 . . . A 1214 LYS HD3 . 25559 1 716 . 1 1 57 57 LYS HE2 H 1 2.873 0.010 . 2 . . . A 1214 LYS HE2 . 25559 1 717 . 1 1 57 57 LYS HE3 H 1 2.873 0.010 . 2 . . . A 1214 LYS HE3 . 25559 1 718 . 1 1 57 57 LYS CA C 13 60.155 0.200 . 1 . . . A 1214 LYS CA . 25559 1 719 . 1 1 57 57 LYS CB C 13 32.942 0.200 . 1 . . . A 1214 LYS CB . 25559 1 720 . 1 1 57 57 LYS CG C 13 24.454 0.200 . 1 . . . A 1214 LYS CG . 25559 1 721 . 1 1 57 57 LYS CD C 13 29.831 0.200 . 1 . . . A 1214 LYS CD . 25559 1 722 . 1 1 57 57 LYS CE C 13 42.347 0.200 . 1 . . . A 1214 LYS CE . 25559 1 723 . 1 1 57 57 LYS N N 15 120.082 0.100 . 1 . . . A 1214 LYS N . 25559 1 724 . 1 1 58 58 ARG H H 1 7.109 0.010 . 1 . . . A 1215 ARG H . 25559 1 725 . 1 1 58 58 ARG HA H 1 3.827 0.010 . 1 . . . A 1215 ARG HA . 25559 1 726 . 1 1 58 58 ARG HB2 H 1 1.778 0.010 . 2 . . . A 1215 ARG HB2 . 25559 1 727 . 1 1 58 58 ARG HB3 H 1 1.778 0.010 . 2 . . . A 1215 ARG HB3 . 25559 1 728 . 1 1 58 58 ARG HG2 H 1 1.426 0.010 . 2 . . . A 1215 ARG HG2 . 25559 1 729 . 1 1 58 58 ARG HG3 H 1 1.564 0.010 . 2 . . . A 1215 ARG HG3 . 25559 1 730 . 1 1 58 58 ARG HD2 H 1 3.114 0.010 . 2 . . . A 1215 ARG HD2 . 25559 1 731 . 1 1 58 58 ARG HD3 H 1 3.114 0.010 . 2 . . . A 1215 ARG HD3 . 25559 1 732 . 1 1 58 58 ARG CA C 13 58.557 0.200 . 1 . . . A 1215 ARG CA . 25559 1 733 . 1 1 58 58 ARG CB C 13 29.557 0.200 . 1 . . . A 1215 ARG CB . 25559 1 734 . 1 1 58 58 ARG CG C 13 27.106 0.200 . 1 . . . A 1215 ARG CG . 25559 1 735 . 1 1 58 58 ARG CD C 13 43.474 0.200 . 1 . . . A 1215 ARG CD . 25559 1 736 . 1 1 58 58 ARG N N 15 115.554 0.100 . 1 . . . A 1215 ARG N . 25559 1 737 . 1 1 59 59 LEU H H 1 7.184 0.010 . 1 . . . A 1216 LEU H . 25559 1 738 . 1 1 59 59 LEU HA H 1 3.806 0.010 . 1 . . . A 1216 LEU HA . 25559 1 739 . 1 1 59 59 LEU HB2 H 1 1.009 0.010 . 1 . . . A 1216 LEU HB2 . 25559 1 740 . 1 1 59 59 LEU HB3 H 1 1.317 0.010 . 1 . . . A 1216 LEU HB3 . 25559 1 741 . 1 1 59 59 LEU HG H 1 1.162 0.010 . 1 . . . A 1216 LEU HG . 25559 1 742 . 1 1 59 59 LEU HD11 H 1 0.357 0.010 . 1 . . . A 1216 LEU HD11 . 25559 1 743 . 1 1 59 59 LEU HD12 H 1 0.357 0.010 . 1 . . . A 1216 LEU HD12 . 25559 1 744 . 1 1 59 59 LEU HD13 H 1 0.357 0.010 . 1 . . . A 1216 LEU HD13 . 25559 1 745 . 1 1 59 59 LEU HD21 H 1 0.486 0.010 . 1 . . . A 1216 LEU HD21 . 25559 1 746 . 1 1 59 59 LEU HD22 H 1 0.486 0.010 . 1 . . . A 1216 LEU HD22 . 25559 1 747 . 1 1 59 59 LEU HD23 H 1 0.486 0.010 . 1 . . . A 1216 LEU HD23 . 25559 1 748 . 1 1 59 59 LEU CA C 13 57.116 0.200 . 1 . . . A 1216 LEU CA . 25559 1 749 . 1 1 59 59 LEU CB C 13 43.212 0.200 . 1 . . . A 1216 LEU CB . 25559 1 750 . 1 1 59 59 LEU CG C 13 27.237 0.200 . 1 . . . A 1216 LEU CG . 25559 1 751 . 1 1 59 59 LEU CD1 C 13 25.698 0.200 . 1 . . . A 1216 LEU CD1 . 25559 1 752 . 1 1 59 59 LEU CD2 C 13 22.731 0.200 . 1 . . . A 1216 LEU CD2 . 25559 1 753 . 1 1 59 59 LEU N N 15 116.087 0.100 . 1 . . . A 1216 LEU N . 25559 1 754 . 1 1 60 60 MET H H 1 8.888 0.010 . 1 . . . A 1217 MET H . 25559 1 755 . 1 1 60 60 MET HA H 1 3.683 0.010 . 1 . . . A 1217 MET HA . 25559 1 756 . 1 1 60 60 MET HB2 H 1 1.922 0.010 . 1 . . . A 1217 MET HB2 . 25559 1 757 . 1 1 60 60 MET HB3 H 1 2.299 0.010 . 1 . . . A 1217 MET HB3 . 25559 1 758 . 1 1 60 60 MET HG2 H 1 2.326 0.010 . 1 . . . A 1217 MET HG2 . 25559 1 759 . 1 1 60 60 MET HG3 H 1 2.854 0.010 . 1 . . . A 1217 MET HG3 . 25559 1 760 . 1 1 60 60 MET HE1 H 1 2.307 0.010 . 1 . . . A 1217 MET HE1 . 25559 1 761 . 1 1 60 60 MET HE2 H 1 2.307 0.010 . 1 . . . A 1217 MET HE2 . 25559 1 762 . 1 1 60 60 MET HE3 H 1 2.307 0.010 . 1 . . . A 1217 MET HE3 . 25559 1 763 . 1 1 60 60 MET CA C 13 59.571 0.200 . 1 . . . A 1217 MET CA . 25559 1 764 . 1 1 60 60 MET CB C 13 32.253 0.200 . 1 . . . A 1217 MET CB . 25559 1 765 . 1 1 60 60 MET CG C 13 35.428 0.200 . 1 . . . A 1217 MET CG . 25559 1 766 . 1 1 60 60 MET CE C 13 19.293 0.200 . 1 . . . A 1217 MET CE . 25559 1 767 . 1 1 60 60 MET N N 15 116.056 0.100 . 1 . . . A 1217 MET N . 25559 1 768 . 1 1 61 61 GLN H H 1 7.521 0.010 . 1 . . . A 1218 GLN H . 25559 1 769 . 1 1 61 61 GLN HA H 1 4.381 0.010 . 1 . . . A 1218 GLN HA . 25559 1 770 . 1 1 61 61 GLN HB2 H 1 1.953 0.010 . 2 . . . A 1218 GLN HB2 . 25559 1 771 . 1 1 61 61 GLN HB3 H 1 1.953 0.010 . 2 . . . A 1218 GLN HB3 . 25559 1 772 . 1 1 61 61 GLN HG2 H 1 2.230 0.010 . 2 . . . A 1218 GLN HG2 . 25559 1 773 . 1 1 61 61 GLN HG3 H 1 2.230 0.010 . 2 . . . A 1218 GLN HG3 . 25559 1 774 . 1 1 61 61 GLN HE21 H 1 6.968 0.010 . 1 . . . A 1218 GLN HE21 . 25559 1 775 . 1 1 61 61 GLN HE22 H 1 7.768 0.010 . 1 . . . A 1218 GLN HE22 . 25559 1 776 . 1 1 61 61 GLN CA C 13 56.595 0.200 . 1 . . . A 1218 GLN CA . 25559 1 777 . 1 1 61 61 GLN CB C 13 27.436 0.200 . 1 . . . A 1218 GLN CB . 25559 1 778 . 1 1 61 61 GLN CG C 13 34.294 0.200 . 1 . . . A 1218 GLN CG . 25559 1 779 . 1 1 61 61 GLN N N 15 113.843 0.100 . 1 . . . A 1218 GLN N . 25559 1 780 . 1 1 61 61 GLN NE2 N 15 112.787 0.100 . 1 . . . A 1218 GLN NE2 . 25559 1 781 . 1 1 62 62 GLN H H 1 7.314 0.010 . 1 . . . A 1219 GLN H . 25559 1 782 . 1 1 62 62 GLN HA H 1 4.182 0.010 . 1 . . . A 1219 GLN HA . 25559 1 783 . 1 1 62 62 GLN HB2 H 1 2.018 0.010 . 1 . . . A 1219 GLN HB2 . 25559 1 784 . 1 1 62 62 GLN HB3 H 1 2.065 0.010 . 1 . . . A 1219 GLN HB3 . 25559 1 785 . 1 1 62 62 GLN HG2 H 1 2.352 0.010 . 2 . . . A 1219 GLN HG2 . 25559 1 786 . 1 1 62 62 GLN HG3 H 1 2.352 0.010 . 2 . . . A 1219 GLN HG3 . 25559 1 787 . 1 1 62 62 GLN HE21 H 1 6.701 0.010 . 1 . . . A 1219 GLN HE21 . 25559 1 788 . 1 1 62 62 GLN HE22 H 1 7.396 0.010 . 1 . . . A 1219 GLN HE22 . 25559 1 789 . 1 1 62 62 GLN CA C 13 56.583 0.200 . 1 . . . A 1219 GLN CA . 25559 1 790 . 1 1 62 62 GLN CB C 13 29.196 0.200 . 1 . . . A 1219 GLN CB . 25559 1 791 . 1 1 62 62 GLN CG C 13 34.071 0.200 . 1 . . . A 1219 GLN CG . 25559 1 792 . 1 1 62 62 GLN N N 15 117.802 0.100 . 1 . . . A 1219 GLN N . 25559 1 793 . 1 1 62 62 GLN NE2 N 15 111.373 0.100 . 1 . . . A 1219 GLN NE2 . 25559 1 794 . 1 1 63 63 SER HA H 1 4.396 0.010 . 1 . . . A 1220 SER HA . 25559 1 795 . 1 1 63 63 SER HB2 H 1 3.834 0.010 . 2 . . . A 1220 SER HB2 . 25559 1 796 . 1 1 63 63 SER HB3 H 1 3.834 0.010 . 2 . . . A 1220 SER HB3 . 25559 1 797 . 1 1 63 63 SER CA C 13 58.009 0.200 . 1 . . . A 1220 SER CA . 25559 1 798 . 1 1 63 63 SER CB C 13 63.667 0.200 . 1 . . . A 1220 SER CB . 25559 1 799 . 1 1 64 64 VAL H H 1 8.319 0.010 . 1 . . . A 1221 VAL H . 25559 1 800 . 1 1 64 64 VAL HA H 1 4.130 0.010 . 1 . . . A 1221 VAL HA . 25559 1 801 . 1 1 64 64 VAL HB H 1 2.226 0.010 . 1 . . . A 1221 VAL HB . 25559 1 802 . 1 1 64 64 VAL HG11 H 1 0.949 0.010 . 1 . . . A 1221 VAL HG11 . 25559 1 803 . 1 1 64 64 VAL HG12 H 1 0.949 0.010 . 1 . . . A 1221 VAL HG12 . 25559 1 804 . 1 1 64 64 VAL HG13 H 1 0.949 0.010 . 1 . . . A 1221 VAL HG13 . 25559 1 805 . 1 1 64 64 VAL HG21 H 1 0.975 0.010 . 1 . . . A 1221 VAL HG21 . 25559 1 806 . 1 1 64 64 VAL HG22 H 1 0.975 0.010 . 1 . . . A 1221 VAL HG22 . 25559 1 807 . 1 1 64 64 VAL HG23 H 1 0.975 0.010 . 1 . . . A 1221 VAL HG23 . 25559 1 808 . 1 1 64 64 VAL CA C 13 63.100 0.200 . 1 . . . A 1221 VAL CA . 25559 1 809 . 1 1 64 64 VAL CB C 13 31.829 0.200 . 1 . . . A 1221 VAL CB . 25559 1 810 . 1 1 64 64 VAL CG1 C 13 20.057 0.200 . 2 . . . A 1221 VAL CG1 . 25559 1 811 . 1 1 64 64 VAL CG2 C 13 21.264 0.200 . 2 . . . A 1221 VAL CG2 . 25559 1 812 . 1 1 64 64 VAL N N 15 121.484 0.100 . 1 . . . A 1221 VAL N . 25559 1 813 . 1 1 65 65 GLU H H 1 8.501 0.010 . 1 . . . A 1222 GLU H . 25559 1 814 . 1 1 65 65 GLU HA H 1 4.421 0.010 . 1 . . . A 1222 GLU HA . 25559 1 815 . 1 1 65 65 GLU HB2 H 1 2.087 0.010 . 2 . . . A 1222 GLU HB2 . 25559 1 816 . 1 1 65 65 GLU HB3 H 1 2.087 0.010 . 2 . . . A 1222 GLU HB3 . 25559 1 817 . 1 1 65 65 GLU HG2 H 1 2.308 0.010 . 2 . . . A 1222 GLU HG2 . 25559 1 818 . 1 1 65 65 GLU HG3 H 1 2.372 0.010 . 2 . . . A 1222 GLU HG3 . 25559 1 819 . 1 1 65 65 GLU CA C 13 55.913 0.200 . 1 . . . A 1222 GLU CA . 25559 1 820 . 1 1 65 65 GLU CB C 13 29.102 0.200 . 1 . . . A 1222 GLU CB . 25559 1 821 . 1 1 65 65 GLU CG C 13 35.852 0.200 . 1 . . . A 1222 GLU CG . 25559 1 822 . 1 1 65 65 GLU N N 15 120.603 0.100 . 1 . . . A 1222 GLU N . 25559 1 823 . 1 1 66 66 SER HA H 1 4.458 0.010 . 1 . . . A 1223 SER HA . 25559 1 824 . 1 1 66 66 SER HB2 H 1 3.977 0.010 . 1 . . . A 1223 SER HB2 . 25559 1 825 . 1 1 66 66 SER HB3 H 1 4.133 0.010 . 1 . . . A 1223 SER HB3 . 25559 1 826 . 1 1 66 66 SER CA C 13 59.723 0.200 . 1 . . . A 1223 SER CA . 25559 1 827 . 1 1 66 66 SER CB C 13 64.054 0.200 . 1 . . . A 1223 SER CB . 25559 1 828 . 1 1 67 67 VAL H H 1 8.672 0.010 . 1 . . . A 1224 VAL H . 25559 1 829 . 1 1 67 67 VAL HA H 1 4.045 0.010 . 1 . . . A 1224 VAL HA . 25559 1 830 . 1 1 67 67 VAL HB H 1 2.013 0.010 . 1 . . . A 1224 VAL HB . 25559 1 831 . 1 1 67 67 VAL HG11 H 1 0.758 0.010 . 1 . . . A 1224 VAL HG11 . 25559 1 832 . 1 1 67 67 VAL HG12 H 1 0.758 0.010 . 1 . . . A 1224 VAL HG12 . 25559 1 833 . 1 1 67 67 VAL HG13 H 1 0.758 0.010 . 1 . . . A 1224 VAL HG13 . 25559 1 834 . 1 1 67 67 VAL HG21 H 1 0.783 0.010 . 1 . . . A 1224 VAL HG21 . 25559 1 835 . 1 1 67 67 VAL HG22 H 1 0.783 0.010 . 1 . . . A 1224 VAL HG22 . 25559 1 836 . 1 1 67 67 VAL HG23 H 1 0.783 0.010 . 1 . . . A 1224 VAL HG23 . 25559 1 837 . 1 1 67 67 VAL CA C 13 64.747 0.200 . 1 . . . A 1224 VAL CA . 25559 1 838 . 1 1 67 67 VAL CB C 13 31.275 0.200 . 1 . . . A 1224 VAL CB . 25559 1 839 . 1 1 67 67 VAL CG1 C 13 20.812 0.200 . 2 . . . A 1224 VAL CG1 . 25559 1 840 . 1 1 67 67 VAL CG2 C 13 20.678 0.200 . 2 . . . A 1224 VAL CG2 . 25559 1 841 . 1 1 67 67 VAL N N 15 121.627 0.100 . 1 . . . A 1224 VAL N . 25559 1 842 . 1 1 68 68 TRP H H 1 7.794 0.010 . 1 . . . A 1225 TRP H . 25559 1 843 . 1 1 68 68 TRP HA H 1 4.483 0.010 . 1 . . . A 1225 TRP HA . 25559 1 844 . 1 1 68 68 TRP HB2 H 1 3.199 0.010 . 1 . . . A 1225 TRP HB2 . 25559 1 845 . 1 1 68 68 TRP HB3 H 1 3.276 0.010 . 1 . . . A 1225 TRP HB3 . 25559 1 846 . 1 1 68 68 TRP HD1 H 1 7.285 0.010 . 1 . . . A 1225 TRP HD1 . 25559 1 847 . 1 1 68 68 TRP HE1 H 1 9.600 0.010 . 1 . . . A 1225 TRP HE1 . 25559 1 848 . 1 1 68 68 TRP HZ2 H 1 7.043 0.010 . 1 . . . A 1225 TRP HZ2 . 25559 1 849 . 1 1 68 68 TRP HZ3 H 1 7.387 0.010 . 1 . . . A 1225 TRP HZ3 . 25559 1 850 . 1 1 68 68 TRP HH2 H 1 7.636 0.010 . 1 . . . A 1225 TRP HH2 . 25559 1 851 . 1 1 68 68 TRP CA C 13 60.041 0.200 . 1 . . . A 1225 TRP CA . 25559 1 852 . 1 1 68 68 TRP CB C 13 29.585 0.200 . 1 . . . A 1225 TRP CB . 25559 1 853 . 1 1 68 68 TRP CD1 C 13 126.388 0.200 . 1 . . . A 1225 TRP CD1 . 25559 1 854 . 1 1 68 68 TRP CZ2 C 13 116.259 0.200 . 1 . . . A 1225 TRP CZ2 . 25559 1 855 . 1 1 68 68 TRP CZ3 C 13 118.300 0.200 . 1 . . . A 1225 TRP CZ3 . 25559 1 856 . 1 1 68 68 TRP CH2 C 13 121.222 0.200 . 1 . . . A 1225 TRP CH2 . 25559 1 857 . 1 1 68 68 TRP N N 15 122.037 0.100 . 1 . . . A 1225 TRP N . 25559 1 858 . 1 1 68 68 TRP NE1 N 15 127.868 0.100 . 1 . . . A 1225 TRP NE1 . 25559 1 859 . 1 1 69 69 ASN H H 1 7.816 0.010 . 1 . . . A 1226 ASN H . 25559 1 860 . 1 1 69 69 ASN HA H 1 4.351 0.010 . 1 . . . A 1226 ASN HA . 25559 1 861 . 1 1 69 69 ASN HB2 H 1 2.979 0.010 . 2 . . . A 1226 ASN HB2 . 25559 1 862 . 1 1 69 69 ASN HB3 H 1 2.979 0.010 . 2 . . . A 1226 ASN HB3 . 25559 1 863 . 1 1 69 69 ASN HD21 H 1 7.231 0.010 . 1 . . . A 1226 ASN HD21 . 25559 1 864 . 1 1 69 69 ASN HD22 H 1 7.651 0.010 . 1 . . . A 1226 ASN HD22 . 25559 1 865 . 1 1 69 69 ASN CA C 13 57.548 0.200 . 1 . . . A 1226 ASN CA . 25559 1 866 . 1 1 69 69 ASN CB C 13 38.948 0.200 . 1 . . . A 1226 ASN CB . 25559 1 867 . 1 1 69 69 ASN N N 15 118.842 0.100 . 1 . . . A 1226 ASN N . 25559 1 868 . 1 1 69 69 ASN ND2 N 15 113.709 0.100 . 1 . . . A 1226 ASN ND2 . 25559 1 869 . 1 1 70 70 MET H H 1 7.757 0.010 . 1 . . . A 1227 MET H . 25559 1 870 . 1 1 70 70 MET HA H 1 4.342 0.010 . 1 . . . A 1227 MET HA . 25559 1 871 . 1 1 70 70 MET HB2 H 1 2.137 0.010 . 2 . . . A 1227 MET HB2 . 25559 1 872 . 1 1 70 70 MET HB3 H 1 2.137 0.010 . 2 . . . A 1227 MET HB3 . 25559 1 873 . 1 1 70 70 MET HG2 H 1 2.631 0.010 . 1 . . . A 1227 MET HG2 . 25559 1 874 . 1 1 70 70 MET HG3 H 1 2.733 0.010 . 1 . . . A 1227 MET HG3 . 25559 1 875 . 1 1 70 70 MET HE1 H 1 2.062 0.010 . 1 . . . A 1227 MET HE1 . 25559 1 876 . 1 1 70 70 MET HE2 H 1 2.062 0.010 . 1 . . . A 1227 MET HE2 . 25559 1 877 . 1 1 70 70 MET HE3 H 1 2.062 0.010 . 1 . . . A 1227 MET HE3 . 25559 1 878 . 1 1 70 70 MET CA C 13 58.337 0.200 . 1 . . . A 1227 MET CA . 25559 1 879 . 1 1 70 70 MET CB C 13 32.612 0.200 . 1 . . . A 1227 MET CB . 25559 1 880 . 1 1 70 70 MET CG C 13 32.350 0.200 . 1 . . . A 1227 MET CG . 25559 1 881 . 1 1 70 70 MET CE C 13 17.166 0.200 . 1 . . . A 1227 MET CE . 25559 1 882 . 1 1 70 70 MET N N 15 117.265 0.100 . 1 . . . A 1227 MET N . 25559 1 883 . 1 1 71 71 ALA H H 1 7.926 0.010 . 1 . . . A 1228 ALA H . 25559 1 884 . 1 1 71 71 ALA HA H 1 4.216 0.010 . 1 . . . A 1228 ALA HA . 25559 1 885 . 1 1 71 71 ALA HB1 H 1 1.544 0.010 . 1 . . . A 1228 ALA HB1 . 25559 1 886 . 1 1 71 71 ALA HB2 H 1 1.544 0.010 . 1 . . . A 1228 ALA HB2 . 25559 1 887 . 1 1 71 71 ALA HB3 H 1 1.544 0.010 . 1 . . . A 1228 ALA HB3 . 25559 1 888 . 1 1 71 71 ALA CA C 13 55.502 0.200 . 1 . . . A 1228 ALA CA . 25559 1 889 . 1 1 71 71 ALA CB C 13 17.287 0.200 . 1 . . . A 1228 ALA CB . 25559 1 890 . 1 1 71 71 ALA N N 15 123.669 0.100 . 1 . . . A 1228 ALA N . 25559 1 891 . 1 1 72 72 PHE H H 1 8.432 0.010 . 1 . . . A 1229 PHE H . 25559 1 892 . 1 1 72 72 PHE HA H 1 4.140 0.010 . 1 . . . A 1229 PHE HA . 25559 1 893 . 1 1 72 72 PHE HB2 H 1 3.148 0.010 . 1 . . . A 1229 PHE HB2 . 25559 1 894 . 1 1 72 72 PHE HB3 H 1 3.599 0.010 . 1 . . . A 1229 PHE HB3 . 25559 1 895 . 1 1 72 72 PHE HD1 H 1 7.450 0.010 . 3 . . . A 1229 PHE HD1 . 25559 1 896 . 1 1 72 72 PHE HD2 H 1 7.450 0.010 . 3 . . . A 1229 PHE HD2 . 25559 1 897 . 1 1 72 72 PHE CA C 13 63.129 0.200 . 1 . . . A 1229 PHE CA . 25559 1 898 . 1 1 72 72 PHE CB C 13 38.238 0.200 . 1 . . . A 1229 PHE CB . 25559 1 899 . 1 1 72 72 PHE CD2 C 13 131.228 0.200 . 1 . . . A 1229 PHE CD2 . 25559 1 900 . 1 1 72 72 PHE N N 15 117.960 0.100 . 1 . . . A 1229 PHE N . 25559 1 901 . 1 1 73 73 ASP H H 1 7.712 0.010 . 1 . . . A 1230 ASP H . 25559 1 902 . 1 1 73 73 ASP HA H 1 4.193 0.010 . 1 . . . A 1230 ASP HA . 25559 1 903 . 1 1 73 73 ASP HB2 H 1 2.731 0.010 . 2 . . . A 1230 ASP HB2 . 25559 1 904 . 1 1 73 73 ASP HB3 H 1 2.804 0.010 . 2 . . . A 1230 ASP HB3 . 25559 1 905 . 1 1 73 73 ASP CA C 13 57.748 0.200 . 1 . . . A 1230 ASP CA . 25559 1 906 . 1 1 73 73 ASP CB C 13 40.084 0.200 . 1 . . . A 1230 ASP CB . 25559 1 907 . 1 1 73 73 ASP N N 15 118.034 0.100 . 1 . . . A 1230 ASP N . 25559 1 908 . 1 1 74 74 PHE H H 1 7.979 0.010 . 1 . . . A 1231 PHE H . 25559 1 909 . 1 1 74 74 PHE HA H 1 4.259 0.010 . 1 . . . A 1231 PHE HA . 25559 1 910 . 1 1 74 74 PHE HB2 H 1 3.253 0.010 . 2 . . . A 1231 PHE HB2 . 25559 1 911 . 1 1 74 74 PHE HB3 H 1 3.348 0.010 . 2 . . . A 1231 PHE HB3 . 25559 1 912 . 1 1 74 74 PHE HD1 H 1 7.139 0.010 . 3 . . . A 1231 PHE HD1 . 25559 1 913 . 1 1 74 74 PHE HD2 H 1 7.139 0.010 . 3 . . . A 1231 PHE HD2 . 25559 1 914 . 1 1 74 74 PHE CA C 13 61.291 0.200 . 1 . . . A 1231 PHE CA . 25559 1 915 . 1 1 74 74 PHE CB C 13 39.403 0.200 . 1 . . . A 1231 PHE CB . 25559 1 916 . 1 1 74 74 PHE CD2 C 13 131.554 0.200 . 1 . . . A 1231 PHE CD2 . 25559 1 917 . 1 1 74 74 PHE N N 15 119.975 0.100 . 1 . . . A 1231 PHE N . 25559 1 918 . 1 1 75 75 ILE H H 1 8.634 0.010 . 1 . . . A 1232 ILE H . 25559 1 919 . 1 1 75 75 ILE HA H 1 3.395 0.010 . 1 . . . A 1232 ILE HA . 25559 1 920 . 1 1 75 75 ILE HB H 1 1.912 0.010 . 1 . . . A 1232 ILE HB . 25559 1 921 . 1 1 75 75 ILE HG12 H 1 1.067 0.010 . 1 . . . A 1232 ILE HG12 . 25559 1 922 . 1 1 75 75 ILE HG13 H 1 2.229 0.010 . 1 . . . A 1232 ILE HG13 . 25559 1 923 . 1 1 75 75 ILE HG21 H 1 0.833 0.010 . 1 . . . A 1232 ILE HG21 . 25559 1 924 . 1 1 75 75 ILE HG22 H 1 0.833 0.010 . 1 . . . A 1232 ILE HG22 . 25559 1 925 . 1 1 75 75 ILE HG23 H 1 0.833 0.010 . 1 . . . A 1232 ILE HG23 . 25559 1 926 . 1 1 75 75 ILE HD11 H 1 1.227 0.010 . 1 . . . A 1232 ILE HD11 . 25559 1 927 . 1 1 75 75 ILE HD12 H 1 1.227 0.010 . 1 . . . A 1232 ILE HD12 . 25559 1 928 . 1 1 75 75 ILE HD13 H 1 1.227 0.010 . 1 . . . A 1232 ILE HD13 . 25559 1 929 . 1 1 75 75 ILE CA C 13 66.198 0.200 . 1 . . . A 1232 ILE CA . 25559 1 930 . 1 1 75 75 ILE CB C 13 38.694 0.200 . 1 . . . A 1232 ILE CB . 25559 1 931 . 1 1 75 75 ILE CG1 C 13 30.471 0.200 . 1 . . . A 1232 ILE CG1 . 25559 1 932 . 1 1 75 75 ILE CG2 C 13 16.890 0.200 . 1 . . . A 1232 ILE CG2 . 25559 1 933 . 1 1 75 75 ILE CD1 C 13 14.618 0.200 . 1 . . . A 1232 ILE CD1 . 25559 1 934 . 1 1 75 75 ILE N N 15 122.885 0.100 . 1 . . . A 1232 ILE N . 25559 1 935 . 1 1 76 76 LEU H H 1 8.730 0.010 . 1 . . . A 1233 LEU H . 25559 1 936 . 1 1 76 76 LEU HA H 1 3.695 0.010 . 1 . . . A 1233 LEU HA . 25559 1 937 . 1 1 76 76 LEU HB2 H 1 0.810 0.010 . 2 . . . A 1233 LEU HB2 . 25559 1 938 . 1 1 76 76 LEU HB3 H 1 1.551 0.010 . 2 . . . A 1233 LEU HB3 . 25559 1 939 . 1 1 76 76 LEU HG H 1 1.535 0.010 . 1 . . . A 1233 LEU HG . 25559 1 940 . 1 1 76 76 LEU HD11 H 1 0.855 0.010 . 1 . . . A 1233 LEU HD11 . 25559 1 941 . 1 1 76 76 LEU HD12 H 1 0.855 0.010 . 1 . . . A 1233 LEU HD12 . 25559 1 942 . 1 1 76 76 LEU HD13 H 1 0.855 0.010 . 1 . . . A 1233 LEU HD13 . 25559 1 943 . 1 1 76 76 LEU HD21 H 1 0.941 0.010 . 1 . . . A 1233 LEU HD21 . 25559 1 944 . 1 1 76 76 LEU HD22 H 1 0.941 0.010 . 1 . . . A 1233 LEU HD22 . 25559 1 945 . 1 1 76 76 LEU HD23 H 1 0.941 0.010 . 1 . . . A 1233 LEU HD23 . 25559 1 946 . 1 1 76 76 LEU CA C 13 58.110 0.200 . 1 . . . A 1233 LEU CA . 25559 1 947 . 1 1 76 76 LEU CB C 13 40.850 0.200 . 1 . . . A 1233 LEU CB . 25559 1 948 . 1 1 76 76 LEU CG C 13 26.934 0.200 . 1 . . . A 1233 LEU CG . 25559 1 949 . 1 1 76 76 LEU CD1 C 13 23.530 0.200 . 2 . . . A 1233 LEU CD1 . 25559 1 950 . 1 1 76 76 LEU CD2 C 13 25.949 0.200 . 2 . . . A 1233 LEU CD2 . 25559 1 951 . 1 1 76 76 LEU N N 15 119.274 0.100 . 1 . . . A 1233 LEU N . 25559 1 952 . 1 1 77 77 ASP H H 1 8.356 0.010 . 1 . . . A 1234 ASP H . 25559 1 953 . 1 1 77 77 ASP HA H 1 4.224 0.010 . 1 . . . A 1234 ASP HA . 25559 1 954 . 1 1 77 77 ASP HB2 H 1 2.459 0.010 . 1 . . . A 1234 ASP HB2 . 25559 1 955 . 1 1 77 77 ASP HB3 H 1 2.706 0.010 . 1 . . . A 1234 ASP HB3 . 25559 1 956 . 1 1 77 77 ASP CA C 13 57.707 0.200 . 1 . . . A 1234 ASP CA . 25559 1 957 . 1 1 77 77 ASP CB C 13 40.839 0.200 . 1 . . . A 1234 ASP CB . 25559 1 958 . 1 1 77 77 ASP N N 15 117.890 0.100 . 1 . . . A 1234 ASP N . 25559 1 959 . 1 1 78 78 ASN H H 1 7.408 0.010 . 1 . . . A 1235 ASN H . 25559 1 960 . 1 1 78 78 ASN HA H 1 4.112 0.010 . 1 . . . A 1235 ASN HA . 25559 1 961 . 1 1 78 78 ASN HB2 H 1 2.239 0.010 . 1 . . . A 1235 ASN HB2 . 25559 1 962 . 1 1 78 78 ASN HB3 H 1 2.615 0.010 . 1 . . . A 1235 ASN HB3 . 25559 1 963 . 1 1 78 78 ASN HD21 H 1 5.460 0.010 . 1 . . . A 1235 ASN HD21 . 25559 1 964 . 1 1 78 78 ASN HD22 H 1 6.736 0.010 . 1 . . . A 1235 ASN HD22 . 25559 1 965 . 1 1 78 78 ASN CA C 13 57.274 0.200 . 1 . . . A 1235 ASN CA . 25559 1 966 . 1 1 78 78 ASN CB C 13 40.008 0.200 . 1 . . . A 1235 ASN CB . 25559 1 967 . 1 1 78 78 ASN N N 15 115.370 0.100 . 1 . . . A 1235 ASN N . 25559 1 968 . 1 1 78 78 ASN ND2 N 15 112.706 0.100 . 1 . . . A 1235 ASN ND2 . 25559 1 969 . 1 1 79 79 VAL H H 1 8.287 0.010 . 1 . . . A 1236 VAL H . 25559 1 970 . 1 1 79 79 VAL HA H 1 3.379 0.010 . 1 . . . A 1236 VAL HA . 25559 1 971 . 1 1 79 79 VAL HB H 1 2.265 0.010 . 1 . . . A 1236 VAL HB . 25559 1 972 . 1 1 79 79 VAL HG11 H 1 0.909 0.010 . 1 . . . A 1236 VAL HG11 . 25559 1 973 . 1 1 79 79 VAL HG12 H 1 0.909 0.010 . 1 . . . A 1236 VAL HG12 . 25559 1 974 . 1 1 79 79 VAL HG13 H 1 0.909 0.010 . 1 . . . A 1236 VAL HG13 . 25559 1 975 . 1 1 79 79 VAL HG21 H 1 1.062 0.010 . 1 . . . A 1236 VAL HG21 . 25559 1 976 . 1 1 79 79 VAL HG22 H 1 1.062 0.010 . 1 . . . A 1236 VAL HG22 . 25559 1 977 . 1 1 79 79 VAL HG23 H 1 1.062 0.010 . 1 . . . A 1236 VAL HG23 . 25559 1 978 . 1 1 79 79 VAL CA C 13 67.075 0.200 . 1 . . . A 1236 VAL CA . 25559 1 979 . 1 1 79 79 VAL CB C 13 31.980 0.200 . 1 . . . A 1236 VAL CB . 25559 1 980 . 1 1 79 79 VAL CG1 C 13 22.045 0.200 . 2 . . . A 1236 VAL CG1 . 25559 1 981 . 1 1 79 79 VAL CG2 C 13 24.056 0.200 . 2 . . . A 1236 VAL CG2 . 25559 1 982 . 1 1 79 79 VAL N N 15 120.136 0.100 . 1 . . . A 1236 VAL N . 25559 1 983 . 1 1 80 80 GLN H H 1 8.893 0.010 . 1 . . . A 1237 GLN H . 25559 1 984 . 1 1 80 80 GLN HA H 1 4.457 0.010 . 1 . . . A 1237 GLN HA . 25559 1 985 . 1 1 80 80 GLN HB2 H 1 2.039 0.010 . 1 . . . A 1237 GLN HB2 . 25559 1 986 . 1 1 80 80 GLN HB3 H 1 2.195 0.010 . 1 . . . A 1237 GLN HB3 . 25559 1 987 . 1 1 80 80 GLN HG2 H 1 2.433 0.010 . 1 . . . A 1237 GLN HG2 . 25559 1 988 . 1 1 80 80 GLN HG3 H 1 2.501 0.010 . 1 . . . A 1237 GLN HG3 . 25559 1 989 . 1 1 80 80 GLN HE21 H 1 7.215 0.010 . 1 . . . A 1237 GLN HE21 . 25559 1 990 . 1 1 80 80 GLN HE22 H 1 7.366 0.010 . 1 . . . A 1237 GLN HE22 . 25559 1 991 . 1 1 80 80 GLN CA C 13 59.104 0.200 . 1 . . . A 1237 GLN CA . 25559 1 992 . 1 1 80 80 GLN CB C 13 28.604 0.200 . 1 . . . A 1237 GLN CB . 25559 1 993 . 1 1 80 80 GLN CG C 13 33.053 0.200 . 1 . . . A 1237 GLN CG . 25559 1 994 . 1 1 80 80 GLN N N 15 118.341 0.100 . 1 . . . A 1237 GLN N . 25559 1 995 . 1 1 80 80 GLN NE2 N 15 110.300 0.100 . 1 . . . A 1237 GLN NE2 . 25559 1 996 . 1 1 81 81 VAL H H 1 7.667 0.010 . 1 . . . A 1238 VAL H . 25559 1 997 . 1 1 81 81 VAL HA H 1 3.693 0.010 . 1 . . . A 1238 VAL HA . 25559 1 998 . 1 1 81 81 VAL HB H 1 2.078 0.010 . 1 . . . A 1238 VAL HB . 25559 1 999 . 1 1 81 81 VAL HG11 H 1 0.877 0.010 . 1 . . . A 1238 VAL HG11 . 25559 1 1000 . 1 1 81 81 VAL HG12 H 1 0.877 0.010 . 1 . . . A 1238 VAL HG12 . 25559 1 1001 . 1 1 81 81 VAL HG13 H 1 0.877 0.010 . 1 . . . A 1238 VAL HG13 . 25559 1 1002 . 1 1 81 81 VAL HG21 H 1 1.020 0.010 . 1 . . . A 1238 VAL HG21 . 25559 1 1003 . 1 1 81 81 VAL HG22 H 1 1.020 0.010 . 1 . . . A 1238 VAL HG22 . 25559 1 1004 . 1 1 81 81 VAL HG23 H 1 1.020 0.010 . 1 . . . A 1238 VAL HG23 . 25559 1 1005 . 1 1 81 81 VAL CA C 13 66.617 0.200 . 1 . . . A 1238 VAL CA . 25559 1 1006 . 1 1 81 81 VAL CB C 13 31.889 0.200 . 1 . . . A 1238 VAL CB . 25559 1 1007 . 1 1 81 81 VAL CG1 C 13 21.004 0.200 . 2 . . . A 1238 VAL CG1 . 25559 1 1008 . 1 1 81 81 VAL CG2 C 13 22.741 0.200 . 2 . . . A 1238 VAL CG2 . 25559 1 1009 . 1 1 81 81 VAL N N 15 118.627 0.100 . 1 . . . A 1238 VAL N . 25559 1 1010 . 1 1 82 82 VAL H H 1 7.284 0.010 . 1 . . . A 1239 VAL H . 25559 1 1011 . 1 1 82 82 VAL HA H 1 3.736 0.010 . 1 . . . A 1239 VAL HA . 25559 1 1012 . 1 1 82 82 VAL HB H 1 2.026 0.010 . 1 . . . A 1239 VAL HB . 25559 1 1013 . 1 1 82 82 VAL HG11 H 1 0.977 0.010 . 1 . . . A 1239 VAL HG11 . 25559 1 1014 . 1 1 82 82 VAL HG12 H 1 0.977 0.010 . 1 . . . A 1239 VAL HG12 . 25559 1 1015 . 1 1 82 82 VAL HG13 H 1 0.977 0.010 . 1 . . . A 1239 VAL HG13 . 25559 1 1016 . 1 1 82 82 VAL HG21 H 1 1.048 0.010 . 1 . . . A 1239 VAL HG21 . 25559 1 1017 . 1 1 82 82 VAL HG22 H 1 1.048 0.010 . 1 . . . A 1239 VAL HG22 . 25559 1 1018 . 1 1 82 82 VAL HG23 H 1 1.048 0.010 . 1 . . . A 1239 VAL HG23 . 25559 1 1019 . 1 1 82 82 VAL CA C 13 66.380 0.200 . 1 . . . A 1239 VAL CA . 25559 1 1020 . 1 1 82 82 VAL CB C 13 31.852 0.200 . 1 . . . A 1239 VAL CB . 25559 1 1021 . 1 1 82 82 VAL CG1 C 13 22.282 0.200 . 2 . . . A 1239 VAL CG1 . 25559 1 1022 . 1 1 82 82 VAL CG2 C 13 22.650 0.200 . 2 . . . A 1239 VAL CG2 . 25559 1 1023 . 1 1 82 82 VAL N N 15 120.262 0.100 . 1 . . . A 1239 VAL N . 25559 1 1024 . 1 1 83 83 LEU H H 1 8.859 0.010 . 1 . . . A 1240 LEU H . 25559 1 1025 . 1 1 83 83 LEU HA H 1 4.022 0.010 . 1 . . . A 1240 LEU HA . 25559 1 1026 . 1 1 83 83 LEU HB2 H 1 1.836 0.010 . 2 . . . A 1240 LEU HB2 . 25559 1 1027 . 1 1 83 83 LEU HB3 H 1 1.836 0.010 . 2 . . . A 1240 LEU HB3 . 25559 1 1028 . 1 1 83 83 LEU HG H 1 1.755 0.010 . 1 . . . A 1240 LEU HG . 25559 1 1029 . 1 1 83 83 LEU HD11 H 1 0.785 0.010 . 1 . . . A 1240 LEU HD11 . 25559 1 1030 . 1 1 83 83 LEU HD12 H 1 0.785 0.010 . 1 . . . A 1240 LEU HD12 . 25559 1 1031 . 1 1 83 83 LEU HD13 H 1 0.785 0.010 . 1 . . . A 1240 LEU HD13 . 25559 1 1032 . 1 1 83 83 LEU HD21 H 1 0.841 0.010 . 1 . . . A 1240 LEU HD21 . 25559 1 1033 . 1 1 83 83 LEU HD22 H 1 0.841 0.010 . 1 . . . A 1240 LEU HD22 . 25559 1 1034 . 1 1 83 83 LEU HD23 H 1 0.841 0.010 . 1 . . . A 1240 LEU HD23 . 25559 1 1035 . 1 1 83 83 LEU CA C 13 59.026 0.200 . 1 . . . A 1240 LEU CA . 25559 1 1036 . 1 1 83 83 LEU CB C 13 42.064 0.200 . 1 . . . A 1240 LEU CB . 25559 1 1037 . 1 1 83 83 LEU CG C 13 26.871 0.200 . 1 . . . A 1240 LEU CG . 25559 1 1038 . 1 1 83 83 LEU CD1 C 13 24.984 0.200 . 2 . . . A 1240 LEU CD1 . 25559 1 1039 . 1 1 83 83 LEU CD2 C 13 26.562 0.200 . 2 . . . A 1240 LEU CD2 . 25559 1 1040 . 1 1 83 83 LEU N N 15 124.290 0.100 . 1 . . . A 1240 LEU N . 25559 1 1041 . 1 1 84 84 GLN H H 1 8.511 0.010 . 1 . . . A 1241 GLN H . 25559 1 1042 . 1 1 84 84 GLN HA H 1 3.953 0.010 . 1 . . . A 1241 GLN HA . 25559 1 1043 . 1 1 84 84 GLN HB2 H 1 2.098 0.010 . 2 . . . A 1241 GLN HB2 . 25559 1 1044 . 1 1 84 84 GLN HB3 H 1 2.171 0.010 . 2 . . . A 1241 GLN HB3 . 25559 1 1045 . 1 1 84 84 GLN HG2 H 1 2.319 0.010 . 2 . . . A 1241 GLN HG2 . 25559 1 1046 . 1 1 84 84 GLN HG3 H 1 2.319 0.010 . 2 . . . A 1241 GLN HG3 . 25559 1 1047 . 1 1 84 84 GLN HE21 H 1 6.703 0.010 . 1 . . . A 1241 GLN HE21 . 25559 1 1048 . 1 1 84 84 GLN HE22 H 1 7.348 0.010 . 1 . . . A 1241 GLN HE22 . 25559 1 1049 . 1 1 84 84 GLN CA C 13 59.278 0.200 . 1 . . . A 1241 GLN CA . 25559 1 1050 . 1 1 84 84 GLN CB C 13 28.258 0.200 . 1 . . . A 1241 GLN CB . 25559 1 1051 . 1 1 84 84 GLN CG C 13 33.993 0.200 . 1 . . . A 1241 GLN CG . 25559 1 1052 . 1 1 84 84 GLN N N 15 119.741 0.100 . 1 . . . A 1241 GLN N . 25559 1 1053 . 1 1 84 84 GLN NE2 N 15 111.039 0.100 . 1 . . . A 1241 GLN NE2 . 25559 1 1054 . 1 1 85 85 GLN H H 1 8.065 0.010 . 1 . . . A 1242 GLN H . 25559 1 1055 . 1 1 85 85 GLN HA H 1 4.050 0.010 . 1 . . . A 1242 GLN HA . 25559 1 1056 . 1 1 85 85 GLN HB2 H 1 2.099 0.010 . 1 . . . A 1242 GLN HB2 . 25559 1 1057 . 1 1 85 85 GLN HB3 H 1 2.208 0.010 . 1 . . . A 1242 GLN HB3 . 25559 1 1058 . 1 1 85 85 GLN HG2 H 1 2.425 0.010 . 1 . . . A 1242 GLN HG2 . 25559 1 1059 . 1 1 85 85 GLN HG3 H 1 2.545 0.010 . 1 . . . A 1242 GLN HG3 . 25559 1 1060 . 1 1 85 85 GLN HE21 H 1 6.781 0.010 . 1 . . . A 1242 GLN HE21 . 25559 1 1061 . 1 1 85 85 GLN HE22 H 1 7.427 0.010 . 1 . . . A 1242 GLN HE22 . 25559 1 1062 . 1 1 85 85 GLN CA C 13 58.048 0.200 . 1 . . . A 1242 GLN CA . 25559 1 1063 . 1 1 85 85 GLN CB C 13 28.572 0.200 . 1 . . . A 1242 GLN CB . 25559 1 1064 . 1 1 85 85 GLN CG C 13 33.979 0.200 . 1 . . . A 1242 GLN CG . 25559 1 1065 . 1 1 85 85 GLN N N 15 117.639 0.100 . 1 . . . A 1242 GLN N . 25559 1 1066 . 1 1 85 85 GLN NE2 N 15 111.296 0.100 . 1 . . . A 1242 GLN NE2 . 25559 1 1067 . 1 1 86 86 THR H H 1 7.998 0.010 . 1 . . . A 1243 THR H . 25559 1 1068 . 1 1 86 86 THR HA H 1 3.979 0.010 . 1 . . . A 1243 THR HA . 25559 1 1069 . 1 1 86 86 THR HB H 1 3.754 0.010 . 1 . . . A 1243 THR HB . 25559 1 1070 . 1 1 86 86 THR HG1 H 1 4.861 0.010 . 1 . . . A 1243 THR HG1 . 25559 1 1071 . 1 1 86 86 THR HG21 H 1 0.622 0.010 . 1 . . . A 1243 THR HG21 . 25559 1 1072 . 1 1 86 86 THR HG22 H 1 0.622 0.010 . 1 . . . A 1243 THR HG22 . 25559 1 1073 . 1 1 86 86 THR HG23 H 1 0.622 0.010 . 1 . . . A 1243 THR HG23 . 25559 1 1074 . 1 1 86 86 THR CA C 13 65.205 0.200 . 1 . . . A 1243 THR CA . 25559 1 1075 . 1 1 86 86 THR CB C 13 69.822 0.200 . 1 . . . A 1243 THR CB . 25559 1 1076 . 1 1 86 86 THR CG2 C 13 20.872 0.200 . 1 . . . A 1243 THR CG2 . 25559 1 1077 . 1 1 86 86 THR N N 15 112.945 0.100 . 1 . . . A 1243 THR N . 25559 1 1078 . 1 1 87 87 TYR H H 1 8.482 0.010 . 1 . . . A 1244 TYR H . 25559 1 1079 . 1 1 87 87 TYR HA H 1 4.710 0.010 . 1 . . . A 1244 TYR HA . 25559 1 1080 . 1 1 87 87 TYR HB2 H 1 2.755 0.010 . 1 . . . A 1244 TYR HB2 . 25559 1 1081 . 1 1 87 87 TYR HB3 H 1 3.255 0.010 . 1 . . . A 1244 TYR HB3 . 25559 1 1082 . 1 1 87 87 TYR HD1 H 1 7.151 0.010 . 3 . . . A 1244 TYR HD1 . 25559 1 1083 . 1 1 87 87 TYR HD2 H 1 7.151 0.010 . 3 . . . A 1244 TYR HD2 . 25559 1 1084 . 1 1 87 87 TYR HE1 H 1 6.810 0.010 . 3 . . . A 1244 TYR HE1 . 25559 1 1085 . 1 1 87 87 TYR HE2 H 1 6.810 0.010 . 3 . . . A 1244 TYR HE2 . 25559 1 1086 . 1 1 87 87 TYR CA C 13 58.456 0.200 . 1 . . . A 1244 TYR CA . 25559 1 1087 . 1 1 87 87 TYR CB C 13 40.501 0.200 . 1 . . . A 1244 TYR CB . 25559 1 1088 . 1 1 87 87 TYR CD1 C 13 132.865 0.200 . 1 . . . A 1244 TYR CD1 . 25559 1 1089 . 1 1 87 87 TYR CE1 C 13 118.583 0.200 . 1 . . . A 1244 TYR CE1 . 25559 1 1090 . 1 1 87 87 TYR N N 15 118.052 0.100 . 1 . . . A 1244 TYR N . 25559 1 1091 . 1 1 88 88 GLY H H 1 8.031 0.010 . 1 . . . A 1245 GLY H . 25559 1 1092 . 1 1 88 88 GLY HA2 H 1 4.059 0.010 . 1 . . . A 1245 GLY HA2 . 25559 1 1093 . 1 1 88 88 GLY HA3 H 1 4.117 0.010 . 1 . . . A 1245 GLY HA3 . 25559 1 1094 . 1 1 88 88 GLY C C 13 173.778 0.200 . 1 . . . A 1245 GLY C . 25559 1 1095 . 1 1 88 88 GLY CA C 13 46.185 0.200 . 1 . . . A 1245 GLY CA . 25559 1 1096 . 1 1 88 88 GLY N N 15 109.802 0.100 . 1 . . . A 1245 GLY N . 25559 1 1097 . 1 1 89 89 SER H H 1 7.613 0.010 . 1 . . . A 1246 SER H . 25559 1 1098 . 1 1 89 89 SER HA H 1 4.640 0.010 . 1 . . . A 1246 SER HA . 25559 1 1099 . 1 1 89 89 SER HB2 H 1 3.729 0.010 . 2 . . . A 1246 SER HB2 . 25559 1 1100 . 1 1 89 89 SER HB3 H 1 3.799 0.010 . 2 . . . A 1246 SER HB3 . 25559 1 1101 . 1 1 89 89 SER CA C 13 57.390 0.200 . 1 . . . A 1246 SER CA . 25559 1 1102 . 1 1 89 89 SER CB C 13 64.874 0.200 . 1 . . . A 1246 SER CB . 25559 1 1103 . 1 1 89 89 SER N N 15 113.912 0.100 . 1 . . . A 1246 SER N . 25559 1 1104 . 1 1 90 90 THR H H 1 7.906 0.010 . 1 . . . A 1247 THR H . 25559 1 1105 . 1 1 90 90 THR HA H 1 4.423 0.010 . 1 . . . A 1247 THR HA . 25559 1 1106 . 1 1 90 90 THR HB H 1 4.226 0.010 . 1 . . . A 1247 THR HB . 25559 1 1107 . 1 1 90 90 THR HG21 H 1 1.169 0.010 . 1 . . . A 1247 THR HG21 . 25559 1 1108 . 1 1 90 90 THR HG22 H 1 1.169 0.010 . 1 . . . A 1247 THR HG22 . 25559 1 1109 . 1 1 90 90 THR HG23 H 1 1.169 0.010 . 1 . . . A 1247 THR HG23 . 25559 1 1110 . 1 1 90 90 THR CA C 13 61.054 0.200 . 1 . . . A 1247 THR CA . 25559 1 1111 . 1 1 90 90 THR CB C 13 70.455 0.200 . 1 . . . A 1247 THR CB . 25559 1 1112 . 1 1 90 90 THR CG2 C 13 22.118 0.200 . 1 . . . A 1247 THR CG2 . 25559 1 1113 . 1 1 90 90 THR N N 15 110.018 0.100 . 1 . . . A 1247 THR N . 25559 1 1114 . 1 1 91 91 LEU H H 1 9.065 0.010 . 1 . . . A 1248 LEU H . 25559 1 1115 . 1 1 91 91 LEU HA H 1 4.290 0.010 . 1 . . . A 1248 LEU HA . 25559 1 1116 . 1 1 91 91 LEU HB2 H 1 1.468 0.010 . 2 . . . A 1248 LEU HB2 . 25559 1 1117 . 1 1 91 91 LEU HB3 H 1 1.468 0.010 . 2 . . . A 1248 LEU HB3 . 25559 1 1118 . 1 1 91 91 LEU HG H 1 1.507 0.010 . 1 . . . A 1248 LEU HG . 25559 1 1119 . 1 1 91 91 LEU HD11 H 1 0.748 0.010 . 1 . . . A 1248 LEU HD11 . 25559 1 1120 . 1 1 91 91 LEU HD12 H 1 0.748 0.010 . 1 . . . A 1248 LEU HD12 . 25559 1 1121 . 1 1 91 91 LEU HD13 H 1 0.748 0.010 . 1 . . . A 1248 LEU HD13 . 25559 1 1122 . 1 1 91 91 LEU HD21 H 1 0.774 0.010 . 1 . . . A 1248 LEU HD21 . 25559 1 1123 . 1 1 91 91 LEU HD22 H 1 0.774 0.010 . 1 . . . A 1248 LEU HD22 . 25559 1 1124 . 1 1 91 91 LEU HD23 H 1 0.774 0.010 . 1 . . . A 1248 LEU HD23 . 25559 1 1125 . 1 1 91 91 LEU CA C 13 55.041 0.200 . 1 . . . A 1248 LEU CA . 25559 1 1126 . 1 1 91 91 LEU CB C 13 42.730 0.200 . 1 . . . A 1248 LEU CB . 25559 1 1127 . 1 1 91 91 LEU CG C 13 26.786 0.200 . 1 . . . A 1248 LEU CG . 25559 1 1128 . 1 1 91 91 LEU CD1 C 13 23.982 0.200 . 1 . . . A 1248 LEU CD1 . 25559 1 1129 . 1 1 91 91 LEU CD2 C 13 24.997 0.200 . 1 . . . A 1248 LEU CD2 . 25559 1 1130 . 1 1 91 91 LEU N N 15 124.341 0.100 . 1 . . . A 1248 LEU N . 25559 1 1131 . 1 1 92 92 LYS H H 1 8.677 0.010 . 1 . . . A 1249 LYS H . 25559 1 1132 . 1 1 92 92 LYS HA H 1 4.392 0.010 . 1 . . . A 1249 LYS HA . 25559 1 1133 . 1 1 92 92 LYS HB2 H 1 1.698 0.010 . 2 . . . A 1249 LYS HB2 . 25559 1 1134 . 1 1 92 92 LYS HB3 H 1 1.779 0.010 . 2 . . . A 1249 LYS HB3 . 25559 1 1135 . 1 1 92 92 LYS HG2 H 1 1.313 0.010 . 2 . . . A 1249 LYS HG2 . 25559 1 1136 . 1 1 92 92 LYS HG3 H 1 1.386 0.010 . 2 . . . A 1249 LYS HG3 . 25559 1 1137 . 1 1 92 92 LYS HD2 H 1 1.628 0.010 . 2 . . . A 1249 LYS HD2 . 25559 1 1138 . 1 1 92 92 LYS HD3 H 1 1.628 0.010 . 2 . . . A 1249 LYS HD3 . 25559 1 1139 . 1 1 92 92 LYS HE2 H 1 2.943 0.010 . 2 . . . A 1249 LYS HE2 . 25559 1 1140 . 1 1 92 92 LYS HE3 H 1 2.943 0.010 . 2 . . . A 1249 LYS HE3 . 25559 1 1141 . 1 1 92 92 LYS CA C 13 55.891 0.200 . 1 . . . A 1249 LYS CA . 25559 1 1142 . 1 1 92 92 LYS CB C 13 32.504 0.200 . 1 . . . A 1249 LYS CB . 25559 1 1143 . 1 1 92 92 LYS CG C 13 24.738 0.200 . 1 . . . A 1249 LYS CG . 25559 1 1144 . 1 1 92 92 LYS CD C 13 29.055 0.200 . 1 . . . A 1249 LYS CD . 25559 1 1145 . 1 1 92 92 LYS CE C 13 42.157 0.200 . 1 . . . A 1249 LYS CE . 25559 1 1146 . 1 1 92 92 LYS N N 15 125.149 0.100 . 1 . . . A 1249 LYS N . 25559 1 1147 . 1 1 93 93 VAL H H 1 8.386 0.010 . 1 . . . A 1250 VAL H . 25559 1 1148 . 1 1 93 93 VAL HA H 1 4.247 0.010 . 1 . . . A 1250 VAL HA . 25559 1 1149 . 1 1 93 93 VAL HB H 1 2.130 0.010 . 1 . . . A 1250 VAL HB . 25559 1 1150 . 1 1 93 93 VAL HG11 H 1 0.927 0.010 . 1 . . . A 1250 VAL HG11 . 25559 1 1151 . 1 1 93 93 VAL HG12 H 1 0.927 0.010 . 1 . . . A 1250 VAL HG12 . 25559 1 1152 . 1 1 93 93 VAL HG13 H 1 0.927 0.010 . 1 . . . A 1250 VAL HG13 . 25559 1 1153 . 1 1 93 93 VAL HG21 H 1 0.900 0.010 . 1 . . . A 1250 VAL HG21 . 25559 1 1154 . 1 1 93 93 VAL HG22 H 1 0.900 0.010 . 1 . . . A 1250 VAL HG22 . 25559 1 1155 . 1 1 93 93 VAL HG23 H 1 0.900 0.010 . 1 . . . A 1250 VAL HG23 . 25559 1 1156 . 1 1 93 93 VAL C C 13 175.224 0.200 . 1 . . . A 1250 VAL C . 25559 1 1157 . 1 1 93 93 VAL CA C 13 62.047 0.200 . 1 . . . A 1250 VAL CA . 25559 1 1158 . 1 1 93 93 VAL CB C 13 32.874 0.200 . 1 . . . A 1250 VAL CB . 25559 1 1159 . 1 1 93 93 VAL CG1 C 13 21.743 0.200 . 2 . . . A 1250 VAL CG1 . 25559 1 1160 . 1 1 93 93 VAL CG2 C 13 20.670 0.200 . 2 . . . A 1250 VAL CG2 . 25559 1 1161 . 1 1 93 93 VAL N N 15 122.975 0.100 . 1 . . . A 1250 VAL N . 25559 1 1162 . 1 1 94 94 THR H H 1 7.784 0.010 . 1 . . . A 1251 THR H . 25559 1 1163 . 1 1 94 94 THR HA H 1 4.129 0.010 . 1 . . . A 1251 THR HA . 25559 1 1164 . 1 1 94 94 THR HB H 1 4.198 0.010 . 1 . . . A 1251 THR HB . 25559 1 1165 . 1 1 94 94 THR HG1 H 1 4.395 0.010 . 1 . . . A 1251 THR HG1 . 25559 1 1166 . 1 1 94 94 THR HG21 H 1 1.123 0.010 . 1 . . . A 1251 THR HG21 . 25559 1 1167 . 1 1 94 94 THR HG22 H 1 1.123 0.010 . 1 . . . A 1251 THR HG22 . 25559 1 1168 . 1 1 94 94 THR HG23 H 1 1.123 0.010 . 1 . . . A 1251 THR HG23 . 25559 1 1169 . 1 1 94 94 THR CA C 13 63.066 0.200 . 1 . . . A 1251 THR CA . 25559 1 1170 . 1 1 94 94 THR CB C 13 70.606 0.200 . 1 . . . A 1251 THR CB . 25559 1 1171 . 1 1 94 94 THR CG2 C 13 22.222 0.200 . 1 . . . A 1251 THR CG2 . 25559 1 1172 . 1 1 94 94 THR N N 15 122.434 0.100 . 1 . . . A 1251 THR N . 25559 1 stop_ save_