data_18794 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18794 _Entry.Title ; Structure of module 2 from the E1 domain of C. elegans APL-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-10-20 _Entry.Accession_date 2012-10-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Mark Hinds . G. . 18794 2 'Su Ling' Leong . . . 18794 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' . 18794 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Amyloid Precursor Protein' . 18794 Apl-1 . 18794 domain . 18794 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18794 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 252 18794 '15N chemical shifts' 68 18794 '1H chemical shifts' 439 18794 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-07-01 2012-10-20 update BMRB 'update entry citation' 18794 1 . . 2013-10-21 2012-10-20 original author 'original release' 18794 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18794 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24276282 _Citation.Full_citation . _Citation.Title 'Quantification of copper binding to amyloid precursor protein domain 2 and its Caenorhabditis elegans ortholog. Implications for biological function.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Metallomics _Citation.Journal_name_full 'Metallomics : integrated biometal science' _Citation.Journal_volume 6 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 105 _Citation.Page_last 116 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Su Ling' Leong . . . 18794 1 2 Tessa Young . R. . 18794 1 3 Kevin Barnham . J. . 18794 1 4 Anthony Wedd . G. . 18794 1 5 Mark Hinds . G. . 18794 1 6 Zhiguang Xiao . . . 18794 1 7 Roberto Cappai . . . 18794 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18794 _Assembly.ID 1 _Assembly.Name 'module 2 from the E1 domain of C. elegans APL-1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'module 2 from the E1 domain of C. elegans APL-1' 1 $APL1 A . yes native no no . . . 18794 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 APL1 1 CYS 3 3 SG . 1 APL1 1 CYS 63 63 SG 1 APL1 135 CYS SG 1 APL1 195 CYS SG 18794 1 2 disulfide single . 1 APL1 1 CYS 14 14 SG . 1 APL1 1 CYS 50 50 SG 1 APL1 146 CYS SG 1 APL1 182 CYS SG 18794 1 3 disulfide single . 1 APL1 1 CYS 28 28 SG . 1 APL1 1 CYS 62 62 SG 1 APL1 160 CYS SG 1 APL1 194 CYS SG 18794 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_APL1 _Entity.Sf_category entity _Entity.Sf_framecode APL1 _Entity.Entry_ID 18794 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; EACQFSHVNSRDQCNDYQHW KDEAGKQCKTKKSKGNKDMI VRSFAVLEPCALDMFTGVEF VCCPN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 133-197 _Entity.Polymer_author_seq_details 'residues 133-197 of C. elegans APL-1' _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 65 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment APL-1 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7428.485 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q10651 . APL-1 . . . . . . . . . . . . . . 18794 1 2 no PDB 2M05 . "Structure Of Module 2 From The E1 Domain Of C. Elegans Apl-1" . . . . . 100.00 65 100.00 100.00 2.34e-40 . . . . 18794 1 3 no EMBL CCD65568 . "Beta-amyloid-like protein [Caenorhabditis elegans]" . . . . . 96.92 686 100.00 100.00 2.13e-37 . . . . 18794 1 4 no EMBL CCD65569 . "Beta-amyloid-like protein [Caenorhabditis elegans]" . . . . . 96.92 684 100.00 100.00 2.13e-37 . . . . 18794 1 5 no GB AAC46470 . "beta-amyloid protein precursor [Caenorhabditis elegans]" . . . . . 96.92 680 100.00 100.00 2.00e-37 . . . . 18794 1 6 no REF NP_508870 . "Beta-amyloid-like protein [Caenorhabditis elegans]" . . . . . 96.92 686 100.00 100.00 2.13e-37 . . . . 18794 1 7 no REF NP_508871 . "Beta-amyloid-like protein [Caenorhabditis elegans]" . . . . . 96.92 684 100.00 100.00 2.13e-37 . . . . 18794 1 8 no SP Q10651 . "RecName: Full=Beta-amyloid-like protein; Flags: Precursor" . . . . . 96.92 686 100.00 100.00 2.13e-37 . . . . 18794 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 133 GLU . 18794 1 2 134 ALA . 18794 1 3 135 CYS . 18794 1 4 136 GLN . 18794 1 5 137 PHE . 18794 1 6 138 SER . 18794 1 7 139 HIS . 18794 1 8 140 VAL . 18794 1 9 141 ASN . 18794 1 10 142 SER . 18794 1 11 143 ARG . 18794 1 12 144 ASP . 18794 1 13 145 GLN . 18794 1 14 146 CYS . 18794 1 15 147 ASN . 18794 1 16 148 ASP . 18794 1 17 149 TYR . 18794 1 18 150 GLN . 18794 1 19 151 HIS . 18794 1 20 152 TRP . 18794 1 21 153 LYS . 18794 1 22 154 ASP . 18794 1 23 155 GLU . 18794 1 24 156 ALA . 18794 1 25 157 GLY . 18794 1 26 158 LYS . 18794 1 27 159 GLN . 18794 1 28 160 CYS . 18794 1 29 161 LYS . 18794 1 30 162 THR . 18794 1 31 163 LYS . 18794 1 32 164 LYS . 18794 1 33 165 SER . 18794 1 34 166 LYS . 18794 1 35 167 GLY . 18794 1 36 168 ASN . 18794 1 37 169 LYS . 18794 1 38 170 ASP . 18794 1 39 171 MET . 18794 1 40 172 ILE . 18794 1 41 173 VAL . 18794 1 42 174 ARG . 18794 1 43 175 SER . 18794 1 44 176 PHE . 18794 1 45 177 ALA . 18794 1 46 178 VAL . 18794 1 47 179 LEU . 18794 1 48 180 GLU . 18794 1 49 181 PRO . 18794 1 50 182 CYS . 18794 1 51 183 ALA . 18794 1 52 184 LEU . 18794 1 53 185 ASP . 18794 1 54 186 MET . 18794 1 55 187 PHE . 18794 1 56 188 THR . 18794 1 57 189 GLY . 18794 1 58 190 VAL . 18794 1 59 191 GLU . 18794 1 60 192 PHE . 18794 1 61 193 VAL . 18794 1 62 194 CYS . 18794 1 63 195 CYS . 18794 1 64 196 PRO . 18794 1 65 197 ASN . 18794 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 . GLU 1 1 18794 1 . ALA 2 2 18794 1 . CYS 3 3 18794 1 . GLN 4 4 18794 1 . PHE 5 5 18794 1 . SER 6 6 18794 1 . HIS 7 7 18794 1 . VAL 8 8 18794 1 . ASN 9 9 18794 1 . SER 10 10 18794 1 . ARG 11 11 18794 1 . ASP 12 12 18794 1 . GLN 13 13 18794 1 . CYS 14 14 18794 1 . ASN 15 15 18794 1 . ASP 16 16 18794 1 . TYR 17 17 18794 1 . GLN 18 18 18794 1 . HIS 19 19 18794 1 . TRP 20 20 18794 1 . LYS 21 21 18794 1 . ASP 22 22 18794 1 . GLU 23 23 18794 1 . ALA 24 24 18794 1 . GLY 25 25 18794 1 . LYS 26 26 18794 1 . GLN 27 27 18794 1 . CYS 28 28 18794 1 . LYS 29 29 18794 1 . THR 30 30 18794 1 . LYS 31 31 18794 1 . LYS 32 32 18794 1 . SER 33 33 18794 1 . LYS 34 34 18794 1 . GLY 35 35 18794 1 . ASN 36 36 18794 1 . LYS 37 37 18794 1 . ASP 38 38 18794 1 . MET 39 39 18794 1 . ILE 40 40 18794 1 . VAL 41 41 18794 1 . ARG 42 42 18794 1 . SER 43 43 18794 1 . PHE 44 44 18794 1 . ALA 45 45 18794 1 . VAL 46 46 18794 1 . LEU 47 47 18794 1 . GLU 48 48 18794 1 . PRO 49 49 18794 1 . CYS 50 50 18794 1 . ALA 51 51 18794 1 . LEU 52 52 18794 1 . ASP 53 53 18794 1 . MET 54 54 18794 1 . PHE 55 55 18794 1 . THR 56 56 18794 1 . GLY 57 57 18794 1 . VAL 58 58 18794 1 . GLU 59 59 18794 1 . PHE 60 60 18794 1 . VAL 61 61 18794 1 . CYS 62 62 18794 1 . CYS 63 63 18794 1 . PRO 64 64 18794 1 . ASN 65 65 18794 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18794 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $APL1 . 6239 organism . 'Caenorhabditis elegans' 'Caenorhabditis elegans' . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . . . . . . . . . 18794 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 18794 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $APL1 . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris GS115 . . . . . . . . . . . . . . . . . . . . . . 18794 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18794 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'residues 133-196 of C. elegans APL-1' _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 APL-1 'natural abundance' . . 1 $APL1 . . 0.5 . . mM . . . . 18794 1 2 APL-1 '[U-100% 15N]' . . 1 $APL1 . . 0.5 . . mM . . . . 18794 1 3 APL-1 '[U-100% 13C; U-100% 15N]' . . 1 $APL1 . . 0.5 . . mM . . . . 18794 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18794 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18794 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 18794 _Sample_condition_list.ID 1 _Sample_condition_list.Details '10 mM sodium phosphate pH 6.9' 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' 10 . mM 18794 1 pH 6.9 . pH 18794 1 pressure 1 . atm 18794 1 temperature 303 . K 18794 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18794 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker AG' . . 18794 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18794 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18794 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 18794 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18794 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18794 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18794 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18794 3 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 18794 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18794 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18794 4 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 18794 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18794 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18794 _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 Bruker Avance . 800 . . . 18794 1 2 spectrometer_2 Bruker Avance . 600 . . . 18794 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 18794 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18794 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18794 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18794 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18794 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18794 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18794 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18794 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18794 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18794 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18794 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18794 1 12 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18794 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 18794 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 internal indirect 1.0 . . . . . . . . . 18794 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 18794 1 N 15 DSS nitrogen . . . . ppm 0 internal indirect 1.0 . . . . . . . . . 18794 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 18794 _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 9 '3D 1H-15N NOESY' . . . 18794 1 10 '3D 1H-13C NOESY aliphatic' . . . 18794 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 GLU HA H 1 3.915 0.020 . 1 . . . A 133 GLU HA . 18794 1 2 . 1 1 1 1 GLU HB2 H 1 2.088 0.020 . 1 . . . A 133 GLU HB2 . 18794 1 3 . 1 1 1 1 GLU HB3 H 1 2.088 0.020 . 1 . . . A 133 GLU HB3 . 18794 1 4 . 1 1 1 1 GLU HG2 H 1 2.402 0.020 . 1 . . . A 133 GLU HG2 . 18794 1 5 . 1 1 1 1 GLU HG3 H 1 2.402 0.020 . 1 . . . A 133 GLU HG3 . 18794 1 6 . 1 1 1 1 GLU CA C 13 56.038 0.400 . 1 . . . A 133 GLU CA . 18794 1 7 . 1 1 1 1 GLU CB C 13 31.334 0.400 . 1 . . . A 133 GLU CB . 18794 1 8 . 1 1 1 1 GLU CG C 13 36.178 0.400 . 1 . . . A 133 GLU CG . 18794 1 9 . 1 1 2 2 ALA H H 1 7.972 0.020 . 1 . . . A 134 ALA H . 18794 1 10 . 1 1 2 2 ALA HA H 1 4.460 0.020 . 1 . . . A 134 ALA HA . 18794 1 11 . 1 1 2 2 ALA HB1 H 1 1.488 0.020 . 1 . . . A 134 ALA HB1 . 18794 1 12 . 1 1 2 2 ALA HB2 H 1 1.488 0.020 . 1 . . . A 134 ALA HB2 . 18794 1 13 . 1 1 2 2 ALA HB3 H 1 1.488 0.020 . 1 . . . A 134 ALA HB3 . 18794 1 14 . 1 1 2 2 ALA CA C 13 52.163 0.400 . 1 . . . A 134 ALA CA . 18794 1 15 . 1 1 2 2 ALA CB C 13 19.708 0.400 . 1 . . . A 134 ALA CB . 18794 1 16 . 1 1 3 3 CYS H H 1 8.498 0.020 . 1 . . . A 135 CYS H . 18794 1 17 . 1 1 3 3 CYS HA H 1 5.102 0.020 . 1 . . . A 135 CYS HA . 18794 1 18 . 1 1 3 3 CYS HB2 H 1 2.932 0.020 . 2 . . . A 135 CYS HB2 . 18794 1 19 . 1 1 3 3 CYS HB3 H 1 3.273 0.020 . 2 . . . A 135 CYS HB3 . 18794 1 20 . 1 1 3 3 CYS C C 13 173.377 0.400 . 1 . . . A 135 CYS C . 18794 1 21 . 1 1 3 3 CYS CA C 13 57.975 0.400 . 1 . . . A 135 CYS CA . 18794 1 22 . 1 1 3 3 CYS CB C 13 46.350 0.400 . 1 . . . A 135 CYS CB . 18794 1 23 . 1 1 3 3 CYS N N 15 117.054 0.400 . 1 . . . A 135 CYS N . 18794 1 24 . 1 1 4 4 GLN H H 1 9.304 0.020 . 1 . . . A 136 GLN H . 18794 1 25 . 1 1 4 4 GLN HA H 1 4.706 0.020 . 1 . . . A 136 GLN HA . 18794 1 26 . 1 1 4 4 GLN HB2 H 1 1.590 0.020 . 2 . . . A 136 GLN HB2 . 18794 1 27 . 1 1 4 4 GLN HB3 H 1 2.142 0.020 . 2 . . . A 136 GLN HB3 . 18794 1 28 . 1 1 4 4 GLN HG2 H 1 2.270 0.020 . 2 . . . A 136 GLN HG2 . 18794 1 29 . 1 1 4 4 GLN HG3 H 1 2.350 0.020 . 2 . . . A 136 GLN HG3 . 18794 1 30 . 1 1 4 4 GLN HE21 H 1 7.644 0.020 . 2 . . . A 136 GLN HE21 . 18794 1 31 . 1 1 4 4 GLN HE22 H 1 6.936 0.020 . 2 . . . A 136 GLN HE22 . 18794 1 32 . 1 1 4 4 GLN C C 13 174.263 0.400 . 1 . . . A 136 GLN C . 18794 1 33 . 1 1 4 4 GLN CA C 13 54.585 0.400 . 1 . . . A 136 GLN CA . 18794 1 34 . 1 1 4 4 GLN CB C 13 32.302 0.400 . 1 . . . A 136 GLN CB . 18794 1 35 . 1 1 4 4 GLN CG C 13 33.271 0.400 . 1 . . . A 136 GLN CG . 18794 1 36 . 1 1 4 4 GLN N N 15 119.289 0.400 . 1 . . . A 136 GLN N . 18794 1 37 . 1 1 4 4 GLN NE2 N 15 112.243 0.400 . 1 . . . A 136 GLN NE2 . 18794 1 38 . 1 1 5 5 PHE H H 1 8.930 0.020 . 1 . . . A 137 PHE H . 18794 1 39 . 1 1 5 5 PHE HA H 1 5.178 0.020 . 1 . . . A 137 PHE HA . 18794 1 40 . 1 1 5 5 PHE HB2 H 1 2.958 0.020 . 2 . . . A 137 PHE HB2 . 18794 1 41 . 1 1 5 5 PHE HB3 H 1 3.067 0.020 . 2 . . . A 137 PHE HB3 . 18794 1 42 . 1 1 5 5 PHE HD1 H 1 7.137 0.020 . 1 . . . A 137 PHE HD1 . 18794 1 43 . 1 1 5 5 PHE HD2 H 1 7.137 0.020 . 1 . . . A 137 PHE HD2 . 18794 1 44 . 1 1 5 5 PHE HE1 H 1 7.162 0.020 . 1 . . . A 137 PHE HE1 . 18794 1 45 . 1 1 5 5 PHE HE2 H 1 7.162 0.020 . 1 . . . A 137 PHE HE2 . 18794 1 46 . 1 1 5 5 PHE HZ H 1 7.189 0.020 . 1 . . . A 137 PHE HZ . 18794 1 47 . 1 1 5 5 PHE C C 13 175.508 0.400 . 1 . . . A 137 PHE C . 18794 1 48 . 1 1 5 5 PHE CA C 13 56.522 0.400 . 1 . . . A 137 PHE CA . 18794 1 49 . 1 1 5 5 PHE CB C 13 40.537 0.400 . 1 . . . A 137 PHE CB . 18794 1 50 . 1 1 5 5 PHE N N 15 126.361 0.400 . 1 . . . A 137 PHE N . 18794 1 51 . 1 1 6 6 SER H H 1 8.157 0.020 . 1 . . . A 138 SER H . 18794 1 52 . 1 1 6 6 SER HA H 1 4.331 0.020 . 1 . . . A 138 SER HA . 18794 1 53 . 1 1 6 6 SER HB2 H 1 2.925 0.020 . 2 . . . A 138 SER HB2 . 18794 1 54 . 1 1 6 6 SER HB3 H 1 3.133 0.020 . 2 . . . A 138 SER HB3 . 18794 1 55 . 1 1 6 6 SER C C 13 170.416 0.400 . 1 . . . A 138 SER C . 18794 1 56 . 1 1 6 6 SER CA C 13 57.007 0.400 . 1 . . . A 138 SER CA . 18794 1 57 . 1 1 6 6 SER CB C 13 65.241 0.400 . 1 . . . A 138 SER CB . 18794 1 58 . 1 1 6 6 SER N N 15 119.986 0.400 . 1 . . . A 138 SER N . 18794 1 59 . 1 1 7 7 HIS H H 1 8.013 0.020 . 1 . . . A 139 HIS H . 18794 1 60 . 1 1 7 7 HIS HA H 1 4.902 0.020 . 1 . . . A 139 HIS HA . 18794 1 61 . 1 1 7 7 HIS HB2 H 1 2.938 0.020 . 2 . . . A 139 HIS HB2 . 18794 1 62 . 1 1 7 7 HIS HB3 H 1 3.091 0.020 . 2 . . . A 139 HIS HB3 . 18794 1 63 . 1 1 7 7 HIS HD2 H 1 6.815 0.020 . 1 . . . A 139 HIS HD2 . 18794 1 64 . 1 1 7 7 HIS HE1 H 1 8.045 0.020 . 1 . . . A 139 HIS HE1 . 18794 1 65 . 1 1 7 7 HIS C C 13 173.392 0.400 . 1 . . . A 139 HIS C . 18794 1 66 . 1 1 7 7 HIS CA C 13 55.069 0.400 . 1 . . . A 139 HIS CA . 18794 1 67 . 1 1 7 7 HIS CB C 13 31.818 0.400 . 1 . . . A 139 HIS CB . 18794 1 68 . 1 1 8 8 VAL H H 1 8.899 0.020 . 1 . . . A 140 VAL H . 18794 1 69 . 1 1 8 8 VAL HA H 1 4.279 0.020 . 1 . . . A 140 VAL HA . 18794 1 70 . 1 1 8 8 VAL HB H 1 2.146 0.020 . 1 . . . A 140 VAL HB . 18794 1 71 . 1 1 8 8 VAL HG11 H 1 1.090 0.020 . 2 . . . A 140 VAL HG11 . 18794 1 72 . 1 1 8 8 VAL HG12 H 1 1.090 0.020 . 2 . . . A 140 VAL HG12 . 18794 1 73 . 1 1 8 8 VAL HG13 H 1 1.090 0.020 . 2 . . . A 140 VAL HG13 . 18794 1 74 . 1 1 8 8 VAL HG21 H 1 1.140 0.020 . 2 . . . A 140 VAL HG21 . 18794 1 75 . 1 1 8 8 VAL HG22 H 1 1.140 0.020 . 2 . . . A 140 VAL HG22 . 18794 1 76 . 1 1 8 8 VAL HG23 H 1 1.140 0.020 . 2 . . . A 140 VAL HG23 . 18794 1 77 . 1 1 8 8 VAL C C 13 173.600 0.400 . 1 . . . A 140 VAL C . 18794 1 78 . 1 1 8 8 VAL CA C 13 61.850 0.400 . 1 . . . A 140 VAL CA . 18794 1 79 . 1 1 8 8 VAL CB C 13 34.724 0.400 . 1 . . . A 140 VAL CB . 18794 1 80 . 1 1 8 8 VAL CG1 C 13 20.677 0.400 . 1 . . . A 140 VAL CG1 . 18794 1 81 . 1 1 8 8 VAL CG2 C 13 21.161 0.400 . 1 . . . A 140 VAL CG2 . 18794 1 82 . 1 1 8 8 VAL N N 15 122.103 0.400 . 1 . . . A 140 VAL N . 18794 1 83 . 1 1 9 9 ASN H H 1 8.622 0.020 . 1 . . . A 141 ASN H . 18794 1 84 . 1 1 9 9 ASN HA H 1 5.121 0.020 . 1 . . . A 141 ASN HA . 18794 1 85 . 1 1 9 9 ASN HB2 H 1 2.461 0.020 . 2 . . . A 141 ASN HB2 . 18794 1 86 . 1 1 9 9 ASN HB3 H 1 2.708 0.020 . 2 . . . A 141 ASN HB3 . 18794 1 87 . 1 1 9 9 ASN HD21 H 1 7.455 0.020 . 2 . . . A 141 ASN HD21 . 18794 1 88 . 1 1 9 9 ASN HD22 H 1 6.879 0.020 . 2 . . . A 141 ASN HD22 . 18794 1 89 . 1 1 9 9 ASN C C 13 174.540 0.400 . 1 . . . A 141 ASN C . 18794 1 90 . 1 1 9 9 ASN CA C 13 52.647 0.400 . 1 . . . A 141 ASN CA . 18794 1 91 . 1 1 9 9 ASN CB C 13 41.021 0.400 . 1 . . . A 141 ASN CB . 18794 1 92 . 1 1 9 9 ASN N N 15 122.599 0.400 . 1 . . . A 141 ASN N . 18794 1 93 . 1 1 9 9 ASN ND2 N 15 111.604 0.400 . 1 . . . A 141 ASN ND2 . 18794 1 94 . 1 1 10 10 SER H H 1 8.733 0.020 . 1 . . . A 142 SER H . 18794 1 95 . 1 1 10 10 SER HA H 1 4.706 0.020 . 1 . . . A 142 SER HA . 18794 1 96 . 1 1 10 10 SER HB2 H 1 3.999 0.020 . 2 . . . A 142 SER HB2 . 18794 1 97 . 1 1 10 10 SER HB3 H 1 4.093 0.020 . 2 . . . A 142 SER HB3 . 18794 1 98 . 1 1 10 10 SER C C 13 174.769 0.400 . 1 . . . A 142 SER C . 18794 1 99 . 1 1 10 10 SER CA C 13 57.491 0.400 . 1 . . . A 142 SER CA . 18794 1 100 . 1 1 10 10 SER CB C 13 64.757 0.400 . 1 . . . A 142 SER CB . 18794 1 101 . 1 1 10 10 SER N N 15 118.090 0.400 . 1 . . . A 142 SER N . 18794 1 102 . 1 1 11 11 ARG H H 1 8.818 0.020 . 1 . . . A 143 ARG H . 18794 1 103 . 1 1 11 11 ARG HA H 1 4.265 0.020 . 1 . . . A 143 ARG HA . 18794 1 104 . 1 1 11 11 ARG HB2 H 1 1.883 0.020 . 2 . . . A 143 ARG HB2 . 18794 1 105 . 1 1 11 11 ARG HB3 H 1 1.941 0.020 . 2 . . . A 143 ARG HB3 . 18794 1 106 . 1 1 11 11 ARG HG2 H 1 1.695 0.020 . 2 . . . A 143 ARG HG2 . 18794 1 107 . 1 1 11 11 ARG HG3 H 1 1.728 0.020 . 2 . . . A 143 ARG HG3 . 18794 1 108 . 1 1 11 11 ARG HD2 H 1 3.243 0.020 . 1 . . . A 143 ARG HD2 . 18794 1 109 . 1 1 11 11 ARG HD3 H 1 3.243 0.020 . 1 . . . A 143 ARG HD3 . 18794 1 110 . 1 1 11 11 ARG C C 13 176.454 0.400 . 1 . . . A 143 ARG C . 18794 1 111 . 1 1 11 11 ARG CA C 13 57.975 0.400 . 1 . . . A 143 ARG CA . 18794 1 112 . 1 1 11 11 ARG CB C 13 29.396 0.400 . 1 . . . A 143 ARG CB . 18794 1 113 . 1 1 11 11 ARG CG C 13 26.490 0.400 . 1 . . . A 143 ARG CG . 18794 1 114 . 1 1 11 11 ARG CD C 13 42.959 0.400 . 1 . . . A 143 ARG CD . 18794 1 115 . 1 1 11 11 ARG N N 15 122.211 0.400 . 1 . . . A 143 ARG N . 18794 1 116 . 1 1 12 12 ASP H H 1 8.449 0.020 . 1 . . . A 144 ASP H . 18794 1 117 . 1 1 12 12 ASP HA H 1 4.655 0.020 . 1 . . . A 144 ASP HA . 18794 1 118 . 1 1 12 12 ASP HB2 H 1 2.721 0.020 . 2 . . . A 144 ASP HB2 . 18794 1 119 . 1 1 12 12 ASP HB3 H 1 2.775 0.020 . 2 . . . A 144 ASP HB3 . 18794 1 120 . 1 1 12 12 ASP C C 13 175.611 0.400 . 1 . . . A 144 ASP C . 18794 1 121 . 1 1 12 12 ASP CA C 13 54.585 0.400 . 1 . . . A 144 ASP CA . 18794 1 122 . 1 1 12 12 ASP CB C 13 41.021 0.400 . 1 . . . A 144 ASP CB . 18794 1 123 . 1 1 12 12 ASP N N 15 116.920 0.400 . 1 . . . A 144 ASP N . 18794 1 124 . 1 1 13 13 GLN H H 1 7.968 0.020 . 1 . . . A 145 GLN H . 18794 1 125 . 1 1 13 13 GLN HA H 1 4.523 0.020 . 1 . . . A 145 GLN HA . 18794 1 126 . 1 1 13 13 GLN HB2 H 1 2.170 0.020 . 1 . . . A 145 GLN HB2 . 18794 1 127 . 1 1 13 13 GLN HB3 H 1 2.170 0.020 . 1 . . . A 145 GLN HB3 . 18794 1 128 . 1 1 13 13 GLN HG2 H 1 2.327 0.020 . 2 . . . A 145 GLN HG2 . 18794 1 129 . 1 1 13 13 GLN HG3 H 1 2.389 0.020 . 2 . . . A 145 GLN HG3 . 18794 1 130 . 1 1 13 13 GLN HE21 H 1 7.567 0.020 . 2 . . . A 145 GLN HE21 . 18794 1 131 . 1 1 13 13 GLN HE22 H 1 6.771 0.020 . 2 . . . A 145 GLN HE22 . 18794 1 132 . 1 1 13 13 GLN C C 13 174.263 0.400 . 1 . . . A 145 GLN C . 18794 1 133 . 1 1 13 13 GLN CA C 13 55.069 0.400 . 1 . . . A 145 GLN CA . 18794 1 134 . 1 1 13 13 GLN CB C 13 30.365 0.400 . 1 . . . A 145 GLN CB . 18794 1 135 . 1 1 13 13 GLN CG C 13 33.756 0.400 . 1 . . . A 145 GLN CG . 18794 1 136 . 1 1 13 13 GLN N N 15 119.023 0.400 . 1 . . . A 145 GLN N . 18794 1 137 . 1 1 13 13 GLN NE2 N 15 112.544 0.400 . 1 . . . A 145 GLN NE2 . 18794 1 138 . 1 1 14 14 CYS H H 1 8.221 0.020 . 1 . . . A 146 CYS H . 18794 1 139 . 1 1 14 14 CYS HA H 1 4.907 0.020 . 1 . . . A 146 CYS HA . 18794 1 140 . 1 1 14 14 CYS HB2 H 1 2.824 0.020 . 2 . . . A 146 CYS HB2 . 18794 1 141 . 1 1 14 14 CYS HB3 H 1 3.066 0.020 . 2 . . . A 146 CYS HB3 . 18794 1 142 . 1 1 14 14 CYS C C 13 174.263 0.400 . 1 . . . A 146 CYS C . 18794 1 143 . 1 1 14 14 CYS CA C 13 56.038 0.400 . 1 . . . A 146 CYS CA . 18794 1 144 . 1 1 14 14 CYS CB C 13 41.021 0.400 . 1 . . . A 146 CYS CB . 18794 1 145 . 1 1 14 14 CYS N N 15 120.652 0.400 . 1 . . . A 146 CYS N . 18794 1 146 . 1 1 15 15 ASN H H 1 9.126 0.020 . 1 . . . A 147 ASN H . 18794 1 147 . 1 1 15 15 ASN HA H 1 5.168 0.020 . 1 . . . A 147 ASN HA . 18794 1 148 . 1 1 15 15 ASN HB2 H 1 1.783 0.020 . 2 . . . A 147 ASN HB2 . 18794 1 149 . 1 1 15 15 ASN HB3 H 1 1.966 0.020 . 2 . . . A 147 ASN HB3 . 18794 1 150 . 1 1 15 15 ASN HD21 H 1 6.564 0.020 . 2 . . . A 147 ASN HD21 . 18794 1 151 . 1 1 15 15 ASN HD22 H 1 5.933 0.020 . 2 . . . A 147 ASN HD22 . 18794 1 152 . 1 1 15 15 ASN C C 13 174.574 0.400 . 1 . . . A 147 ASN C . 18794 1 153 . 1 1 15 15 ASN CA C 13 52.647 0.400 . 1 . . . A 147 ASN CA . 18794 1 154 . 1 1 15 15 ASN CB C 13 43.928 0.400 . 1 . . . A 147 ASN CB . 18794 1 155 . 1 1 15 15 ASN N N 15 123.095 0.400 . 1 . . . A 147 ASN N . 18794 1 156 . 1 1 15 15 ASN ND2 N 15 111.507 0.400 . 1 . . . A 147 ASN ND2 . 18794 1 157 . 1 1 16 16 ASP H H 1 9.053 0.020 . 1 . . . A 148 ASP H . 18794 1 158 . 1 1 16 16 ASP HA H 1 5.141 0.020 . 1 . . . A 148 ASP HA . 18794 1 159 . 1 1 16 16 ASP HB2 H 1 2.906 0.020 . 2 . . . A 148 ASP HB2 . 18794 1 160 . 1 1 16 16 ASP HB3 H 1 3.614 0.020 . 2 . . . A 148 ASP HB3 . 18794 1 161 . 1 1 16 16 ASP C C 13 174.302 0.400 . 1 . . . A 148 ASP C . 18794 1 162 . 1 1 16 16 ASP CA C 13 53.616 0.400 . 1 . . . A 148 ASP CA . 18794 1 163 . 1 1 16 16 ASP CB C 13 41.990 0.400 . 1 . . . A 148 ASP CB . 18794 1 164 . 1 1 16 16 ASP N N 15 121.585 0.400 . 1 . . . A 148 ASP N . 18794 1 165 . 1 1 17 17 TYR H H 1 9.149 0.020 . 1 . . . A 149 TYR H . 18794 1 166 . 1 1 17 17 TYR HA H 1 4.257 0.020 . 1 . . . A 149 TYR HA . 18794 1 167 . 1 1 17 17 TYR HB2 H 1 3.265 0.020 . 2 . . . A 149 TYR HB2 . 18794 1 168 . 1 1 17 17 TYR HB3 H 1 3.462 0.020 . 2 . . . A 149 TYR HB3 . 18794 1 169 . 1 1 17 17 TYR HD1 H 1 7.102 0.020 . 1 . . . A 149 TYR HD1 . 18794 1 170 . 1 1 17 17 TYR HD2 H 1 7.102 0.020 . 1 . . . A 149 TYR HD2 . 18794 1 171 . 1 1 17 17 TYR HE1 H 1 6.888 0.020 . 1 . . . A 149 TYR HE1 . 18794 1 172 . 1 1 17 17 TYR HE2 H 1 6.888 0.020 . 1 . . . A 149 TYR HE2 . 18794 1 173 . 1 1 17 17 TYR C C 13 176.830 0.400 . 1 . . . A 149 TYR C . 18794 1 174 . 1 1 17 17 TYR CA C 13 63.304 0.400 . 1 . . . A 149 TYR CA . 18794 1 175 . 1 1 17 17 TYR CB C 13 39.568 0.400 . 1 . . . A 149 TYR CB . 18794 1 176 . 1 1 17 17 TYR N N 15 118.208 0.400 . 1 . . . A 149 TYR N . 18794 1 177 . 1 1 18 18 GLN H H 1 8.493 0.020 . 1 . . . A 150 GLN H . 18794 1 178 . 1 1 18 18 GLN HA H 1 3.743 0.020 . 1 . . . A 150 GLN HA . 18794 1 179 . 1 1 18 18 GLN HB2 H 1 2.132 0.020 . 2 . . . A 150 GLN HB2 . 18794 1 180 . 1 1 18 18 GLN HB3 H 1 2.302 0.020 . 2 . . . A 150 GLN HB3 . 18794 1 181 . 1 1 18 18 GLN HG2 H 1 2.393 0.020 . 2 . . . A 150 GLN HG2 . 18794 1 182 . 1 1 18 18 GLN HG3 H 1 2.521 0.020 . 2 . . . A 150 GLN HG3 . 18794 1 183 . 1 1 18 18 GLN HE21 H 1 7.845 0.020 . 2 . . . A 150 GLN HE21 . 18794 1 184 . 1 1 18 18 GLN HE22 H 1 6.864 0.020 . 2 . . . A 150 GLN HE22 . 18794 1 185 . 1 1 18 18 GLN C C 13 177.504 0.400 . 1 . . . A 150 GLN C . 18794 1 186 . 1 1 18 18 GLN CA C 13 58.944 0.400 . 1 . . . A 150 GLN CA . 18794 1 187 . 1 1 18 18 GLN CB C 13 27.458 0.400 . 1 . . . A 150 GLN CB . 18794 1 188 . 1 1 18 18 GLN CG C 13 33.271 0.400 . 1 . . . A 150 GLN CG . 18794 1 189 . 1 1 18 18 GLN N N 15 117.068 0.400 . 1 . . . A 150 GLN N . 18794 1 190 . 1 1 18 18 GLN NE2 N 15 114.751 0.400 . 1 . . . A 150 GLN NE2 . 18794 1 191 . 1 1 19 19 HIS H H 1 8.382 0.020 . 1 . . . A 151 HIS H . 18794 1 192 . 1 1 19 19 HIS HA H 1 3.968 0.020 . 1 . . . A 151 HIS HA . 18794 1 193 . 1 1 19 19 HIS HB2 H 1 2.928 0.020 . 2 . . . A 151 HIS HB2 . 18794 1 194 . 1 1 19 19 HIS HB3 H 1 2.975 0.020 . 2 . . . A 151 HIS HB3 . 18794 1 195 . 1 1 19 19 HIS C C 13 178.398 0.400 . 1 . . . A 151 HIS C . 18794 1 196 . 1 1 19 19 HIS CA C 13 59.913 0.400 . 1 . . . A 151 HIS CA . 18794 1 197 . 1 1 19 19 HIS CB C 13 28.912 0.400 . 1 . . . A 151 HIS CB . 18794 1 198 . 1 1 19 19 HIS N N 15 118.964 0.400 . 1 . . . A 151 HIS N . 18794 1 199 . 1 1 20 20 TRP H H 1 7.639 0.020 . 1 . . . A 152 TRP H . 18794 1 200 . 1 1 20 20 TRP HA H 1 4.593 0.020 . 1 . . . A 152 TRP HA . 18794 1 201 . 1 1 20 20 TRP HB2 H 1 3.019 0.020 . 2 . . . A 152 TRP HB2 . 18794 1 202 . 1 1 20 20 TRP HB3 H 1 3.123 0.020 . 2 . . . A 152 TRP HB3 . 18794 1 203 . 1 1 20 20 TRP HD1 H 1 7.171 0.020 . 1 . . . A 152 TRP HD1 . 18794 1 204 . 1 1 20 20 TRP HE1 H 1 9.463 0.020 . 1 . . . A 152 TRP HE1 . 18794 1 205 . 1 1 20 20 TRP HE3 H 1 7.428 0.020 . 1 . . . A 152 TRP HE3 . 18794 1 206 . 1 1 20 20 TRP HZ2 H 1 7.580 0.020 . 1 . . . A 152 TRP HZ2 . 18794 1 207 . 1 1 20 20 TRP HZ3 H 1 7.104 0.020 . 1 . . . A 152 TRP HZ3 . 18794 1 208 . 1 1 20 20 TRP HH2 H 1 7.246 0.020 . 1 . . . A 152 TRP HH2 . 18794 1 209 . 1 1 20 20 TRP C C 13 177.283 0.400 . 1 . . . A 152 TRP C . 18794 1 210 . 1 1 20 20 TRP CA C 13 58.460 0.400 . 1 . . . A 152 TRP CA . 18794 1 211 . 1 1 20 20 TRP CB C 13 29.880 0.400 . 1 . . . A 152 TRP CB . 18794 1 212 . 1 1 20 20 TRP N N 15 119.208 0.400 . 1 . . . A 152 TRP N . 18794 1 213 . 1 1 20 20 TRP NE1 N 15 128.671 0.400 . 1 . . . A 152 TRP NE1 . 18794 1 214 . 1 1 21 21 LYS H H 1 8.469 0.020 . 1 . . . A 153 LYS H . 18794 1 215 . 1 1 21 21 LYS HA H 1 2.568 0.020 . 1 . . . A 153 LYS HA . 18794 1 216 . 1 1 21 21 LYS HB2 H 1 1.150 0.020 . 2 . . . A 153 LYS HB2 . 18794 1 217 . 1 1 21 21 LYS HB3 H 1 1.665 0.020 . 2 . . . A 153 LYS HB3 . 18794 1 218 . 1 1 21 21 LYS HG2 H 1 0.790 0.020 . 2 . . . A 153 LYS HG2 . 18794 1 219 . 1 1 21 21 LYS HG3 H 1 0.943 0.020 . 2 . . . A 153 LYS HG3 . 18794 1 220 . 1 1 21 21 LYS HD2 H 1 1.600 0.020 . 2 . . . A 153 LYS HD2 . 18794 1 221 . 1 1 21 21 LYS HD3 H 1 1.670 0.020 . 2 . . . A 153 LYS HD3 . 18794 1 222 . 1 1 21 21 LYS HE2 H 1 2.979 0.020 . 1 . . . A 153 LYS HE2 . 18794 1 223 . 1 1 21 21 LYS HE3 H 1 2.979 0.020 . 1 . . . A 153 LYS HE3 . 18794 1 224 . 1 1 21 21 LYS C C 13 179.409 0.400 . 1 . . . A 153 LYS C . 18794 1 225 . 1 1 21 21 LYS CA C 13 59.428 0.400 . 1 . . . A 153 LYS CA . 18794 1 226 . 1 1 21 21 LYS CB C 13 31.818 0.400 . 1 . . . A 153 LYS CB . 18794 1 227 . 1 1 21 21 LYS CG C 13 24.068 0.400 . 1 . . . A 153 LYS CG . 18794 1 228 . 1 1 21 21 LYS CD C 13 29.396 0.400 . 1 . . . A 153 LYS CD . 18794 1 229 . 1 1 21 21 LYS CE C 13 41.990 0.400 . 1 . . . A 153 LYS CE . 18794 1 230 . 1 1 21 21 LYS N N 15 122.259 0.400 . 1 . . . A 153 LYS N . 18794 1 231 . 1 1 22 22 ASP H H 1 8.097 0.020 . 1 . . . A 154 ASP H . 18794 1 232 . 1 1 22 22 ASP HA H 1 4.184 0.020 . 1 . . . A 154 ASP HA . 18794 1 233 . 1 1 22 22 ASP HB2 H 1 2.393 0.020 . 2 . . . A 154 ASP HB2 . 18794 1 234 . 1 1 22 22 ASP HB3 H 1 2.615 0.020 . 2 . . . A 154 ASP HB3 . 18794 1 235 . 1 1 22 22 ASP C C 13 179.046 0.400 . 1 . . . A 154 ASP C . 18794 1 236 . 1 1 22 22 ASP CA C 13 57.007 0.400 . 1 . . . A 154 ASP CA . 18794 1 237 . 1 1 22 22 ASP CB C 13 39.568 0.400 . 1 . . . A 154 ASP CB . 18794 1 238 . 1 1 22 22 ASP N N 15 120.289 0.400 . 1 . . . A 154 ASP N . 18794 1 239 . 1 1 23 23 GLU H H 1 8.264 0.020 . 1 . . . A 155 GLU H . 18794 1 240 . 1 1 23 23 GLU HA H 1 3.825 0.020 . 1 . . . A 155 GLU HA . 18794 1 241 . 1 1 23 23 GLU HB2 H 1 1.880 0.020 . 2 . . . A 155 GLU HB2 . 18794 1 242 . 1 1 23 23 GLU HB3 H 1 2.024 0.020 . 2 . . . A 155 GLU HB3 . 18794 1 243 . 1 1 23 23 GLU HG2 H 1 1.998 0.020 . 2 . . . A 155 GLU HG2 . 18794 1 244 . 1 1 23 23 GLU HG3 H 1 2.314 0.020 . 2 . . . A 155 GLU HG3 . 18794 1 245 . 1 1 23 23 GLU C C 13 177.841 0.400 . 1 . . . A 155 GLU C . 18794 1 246 . 1 1 23 23 GLU CA C 13 58.944 0.400 . 1 . . . A 155 GLU CA . 18794 1 247 . 1 1 23 23 GLU CB C 13 29.396 0.400 . 1 . . . A 155 GLU CB . 18794 1 248 . 1 1 23 23 GLU CG C 13 34.724 0.400 . 1 . . . A 155 GLU CG . 18794 1 249 . 1 1 23 23 GLU N N 15 123.229 0.400 . 1 . . . A 155 GLU N . 18794 1 250 . 1 1 24 24 ALA H H 1 8.086 0.020 . 1 . . . A 156 ALA H . 18794 1 251 . 1 1 24 24 ALA HA H 1 2.681 0.020 . 1 . . . A 156 ALA HA . 18794 1 252 . 1 1 24 24 ALA HB1 H 1 0.820 0.020 . 1 . . . A 156 ALA HB1 . 18794 1 253 . 1 1 24 24 ALA HB2 H 1 0.820 0.020 . 1 . . . A 156 ALA HB2 . 18794 1 254 . 1 1 24 24 ALA HB3 H 1 0.820 0.020 . 1 . . . A 156 ALA HB3 . 18794 1 255 . 1 1 24 24 ALA C C 13 178.190 0.400 . 1 . . . A 156 ALA C . 18794 1 256 . 1 1 24 24 ALA CA C 13 55.069 0.400 . 1 . . . A 156 ALA CA . 18794 1 257 . 1 1 24 24 ALA CB C 13 17.286 0.400 . 1 . . . A 156 ALA CB . 18794 1 258 . 1 1 24 24 ALA N N 15 121.555 0.400 . 1 . . . A 156 ALA N . 18794 1 259 . 1 1 25 25 GLY H H 1 7.258 0.020 . 1 . . . A 157 GLY H . 18794 1 260 . 1 1 25 25 GLY HA2 H 1 3.420 0.020 . 2 . . . A 157 GLY HA2 . 18794 1 261 . 1 1 25 25 GLY HA3 H 1 3.730 0.020 . 2 . . . A 157 GLY HA3 . 18794 1 262 . 1 1 25 25 GLY C C 13 176.493 0.400 . 1 . . . A 157 GLY C . 18794 1 263 . 1 1 25 25 GLY CA C 13 47.319 0.400 . 1 . . . A 157 GLY CA . 18794 1 264 . 1 1 25 25 GLY N N 15 101.908 0.400 . 1 . . . A 157 GLY N . 18794 1 265 . 1 1 26 26 LYS H H 1 7.926 0.020 . 1 . . . A 158 LYS H . 18794 1 266 . 1 1 26 26 LYS HA H 1 3.822 0.020 . 1 . . . A 158 LYS HA . 18794 1 267 . 1 1 26 26 LYS HB2 H 1 1.769 0.020 . 1 . . . A 158 LYS HB2 . 18794 1 268 . 1 1 26 26 LYS HB3 H 1 1.769 0.020 . 1 . . . A 158 LYS HB3 . 18794 1 269 . 1 1 26 26 LYS HG2 H 1 1.242 0.020 . 2 . . . A 158 LYS HG2 . 18794 1 270 . 1 1 26 26 LYS HG3 H 1 1.429 0.020 . 2 . . . A 158 LYS HG3 . 18794 1 271 . 1 1 26 26 LYS HD2 H 1 1.556 0.020 . 1 . . . A 158 LYS HD2 . 18794 1 272 . 1 1 26 26 LYS HD3 H 1 1.556 0.020 . 1 . . . A 158 LYS HD3 . 18794 1 273 . 1 1 26 26 LYS HE2 H 1 2.790 0.020 . 1 . . . A 158 LYS HE2 . 18794 1 274 . 1 1 26 26 LYS HE3 H 1 2.790 0.020 . 1 . . . A 158 LYS HE3 . 18794 1 275 . 1 1 26 26 LYS C C 13 179.681 0.400 . 1 . . . A 158 LYS C . 18794 1 276 . 1 1 26 26 LYS CA C 13 59.428 0.400 . 1 . . . A 158 LYS CA . 18794 1 277 . 1 1 26 26 LYS CB C 13 33.271 0.400 . 1 . . . A 158 LYS CB . 18794 1 278 . 1 1 26 26 LYS CG C 13 25.036 0.400 . 1 . . . A 158 LYS CG . 18794 1 279 . 1 1 26 26 LYS CD C 13 28.912 0.400 . 1 . . . A 158 LYS CD . 18794 1 280 . 1 1 26 26 LYS CE C 13 41.506 0.400 . 1 . . . A 158 LYS CE . 18794 1 281 . 1 1 26 26 LYS N N 15 122.644 0.400 . 1 . . . A 158 LYS N . 18794 1 282 . 1 1 27 27 GLN H H 1 8.385 0.020 . 1 . . . A 159 GLN H . 18794 1 283 . 1 1 27 27 GLN HA H 1 3.901 0.020 . 1 . . . A 159 GLN HA . 18794 1 284 . 1 1 27 27 GLN HB2 H 1 1.576 0.020 . 2 . . . A 159 GLN HB2 . 18794 1 285 . 1 1 27 27 GLN HB3 H 1 2.094 0.020 . 2 . . . A 159 GLN HB3 . 18794 1 286 . 1 1 27 27 GLN HG2 H 1 2.144 0.020 . 2 . . . A 159 GLN HG2 . 18794 1 287 . 1 1 27 27 GLN HG3 H 1 2.263 0.020 . 2 . . . A 159 GLN HG3 . 18794 1 288 . 1 1 27 27 GLN HE21 H 1 8.274 0.020 . 2 . . . A 159 GLN HE21 . 18794 1 289 . 1 1 27 27 GLN HE22 H 1 6.757 0.020 . 2 . . . A 159 GLN HE22 . 18794 1 290 . 1 1 27 27 GLN C C 13 180.679 0.400 . 1 . . . A 159 GLN C . 18794 1 291 . 1 1 27 27 GLN CA C 13 58.460 0.400 . 1 . . . A 159 GLN CA . 18794 1 292 . 1 1 27 27 GLN CB C 13 27.458 0.400 . 1 . . . A 159 GLN CB . 18794 1 293 . 1 1 27 27 GLN CG C 13 32.787 0.400 . 1 . . . A 159 GLN CG . 18794 1 294 . 1 1 27 27 GLN N N 15 118.097 0.400 . 1 . . . A 159 GLN N . 18794 1 295 . 1 1 27 27 GLN NE2 N 15 113.292 0.400 . 1 . . . A 159 GLN NE2 . 18794 1 296 . 1 1 28 28 CYS H H 1 8.235 0.020 . 1 . . . A 160 CYS H . 18794 1 297 . 1 1 28 28 CYS HA H 1 4.675 0.020 . 1 . . . A 160 CYS HA . 18794 1 298 . 1 1 28 28 CYS HB2 H 1 2.563 0.020 . 2 . . . A 160 CYS HB2 . 18794 1 299 . 1 1 28 28 CYS HB3 H 1 2.623 0.020 . 2 . . . A 160 CYS HB3 . 18794 1 300 . 1 1 28 28 CYS C C 13 175.806 0.400 . 1 . . . A 160 CYS C . 18794 1 301 . 1 1 28 28 CYS CA C 13 55.069 0.400 . 1 . . . A 160 CYS CA . 18794 1 302 . 1 1 28 28 CYS CB C 13 33.271 0.400 . 1 . . . A 160 CYS CB . 18794 1 303 . 1 1 28 28 CYS N N 15 116.111 0.400 . 1 . . . A 160 CYS N . 18794 1 304 . 1 1 29 29 LYS H H 1 7.562 0.020 . 1 . . . A 161 LYS H . 18794 1 305 . 1 1 29 29 LYS HA H 1 4.265 0.020 . 1 . . . A 161 LYS HA . 18794 1 306 . 1 1 29 29 LYS HB2 H 1 1.895 0.020 . 1 . . . A 161 LYS HB2 . 18794 1 307 . 1 1 29 29 LYS HB3 H 1 1.895 0.020 . 1 . . . A 161 LYS HB3 . 18794 1 308 . 1 1 29 29 LYS HG2 H 1 1.567 0.020 . 1 . . . A 161 LYS HG2 . 18794 1 309 . 1 1 29 29 LYS HG3 H 1 1.567 0.020 . 1 . . . A 161 LYS HG3 . 18794 1 310 . 1 1 29 29 LYS HD2 H 1 1.622 0.020 . 1 . . . A 161 LYS HD2 . 18794 1 311 . 1 1 29 29 LYS HD3 H 1 1.622 0.020 . 1 . . . A 161 LYS HD3 . 18794 1 312 . 1 1 29 29 LYS HE2 H 1 2.946 0.020 . 1 . . . A 161 LYS HE2 . 18794 1 313 . 1 1 29 29 LYS HE3 H 1 2.946 0.020 . 1 . . . A 161 LYS HE3 . 18794 1 314 . 1 1 29 29 LYS C C 13 176.998 0.400 . 1 . . . A 161 LYS C . 18794 1 315 . 1 1 29 29 LYS CA C 13 58.944 0.400 . 1 . . . A 161 LYS CA . 18794 1 316 . 1 1 29 29 LYS CB C 13 32.302 0.400 . 1 . . . A 161 LYS CB . 18794 1 317 . 1 1 29 29 LYS CG C 13 25.036 0.400 . 1 . . . A 161 LYS CG . 18794 1 318 . 1 1 29 29 LYS CD C 13 28.912 0.400 . 1 . . . A 161 LYS CD . 18794 1 319 . 1 1 29 29 LYS CE C 13 42.475 0.400 . 1 . . . A 161 LYS CE . 18794 1 320 . 1 1 29 29 LYS N N 15 117.831 0.400 . 1 . . . A 161 LYS N . 18794 1 321 . 1 1 30 30 THR H H 1 7.294 0.020 . 1 . . . A 162 THR H . 18794 1 322 . 1 1 30 30 THR HA H 1 4.183 0.020 . 1 . . . A 162 THR HA . 18794 1 323 . 1 1 30 30 THR HB H 1 4.377 0.020 . 1 . . . A 162 THR HB . 18794 1 324 . 1 1 30 30 THR HG21 H 1 1.319 0.020 . 1 . . . A 162 THR HG21 . 18794 1 325 . 1 1 30 30 THR HG22 H 1 1.319 0.020 . 1 . . . A 162 THR HG22 . 18794 1 326 . 1 1 30 30 THR HG23 H 1 1.319 0.020 . 1 . . . A 162 THR HG23 . 18794 1 327 . 1 1 30 30 THR C C 13 175.313 0.400 . 1 . . . A 162 THR C . 18794 1 328 . 1 1 30 30 THR CA C 13 62.819 0.400 . 1 . . . A 162 THR CA . 18794 1 329 . 1 1 30 30 THR CB C 13 70.085 0.400 . 1 . . . A 162 THR CB . 18794 1 330 . 1 1 30 30 THR CG2 C 13 21.161 0.400 . 1 . . . A 162 THR CG2 . 18794 1 331 . 1 1 30 30 THR N N 15 107.472 0.400 . 1 . . . A 162 THR N . 18794 1 332 . 1 1 31 31 LYS H H 1 7.514 0.020 . 1 . . . A 163 LYS H . 18794 1 333 . 1 1 31 31 LYS HA H 1 4.404 0.020 . 1 . . . A 163 LYS HA . 18794 1 334 . 1 1 31 31 LYS HB2 H 1 1.828 0.020 . 2 . . . A 163 LYS HB2 . 18794 1 335 . 1 1 31 31 LYS HB3 H 1 1.962 0.020 . 2 . . . A 163 LYS HB3 . 18794 1 336 . 1 1 31 31 LYS HG2 H 1 1.598 0.020 . 1 . . . A 163 LYS HG2 . 18794 1 337 . 1 1 31 31 LYS HG3 H 1 1.598 0.020 . 1 . . . A 163 LYS HG3 . 18794 1 338 . 1 1 31 31 LYS HD2 H 1 1.690 0.020 . 1 . . . A 163 LYS HD2 . 18794 1 339 . 1 1 31 31 LYS HD3 H 1 1.690 0.020 . 1 . . . A 163 LYS HD3 . 18794 1 340 . 1 1 31 31 LYS HE2 H 1 2.922 0.020 . 1 . . . A 163 LYS HE2 . 18794 1 341 . 1 1 31 31 LYS HE3 H 1 2.922 0.020 . 1 . . . A 163 LYS HE3 . 18794 1 342 . 1 1 31 31 LYS C C 13 175.041 0.400 . 1 . . . A 163 LYS C . 18794 1 343 . 1 1 31 31 LYS CA C 13 55.553 0.400 . 1 . . . A 163 LYS CA . 18794 1 344 . 1 1 31 31 LYS CB C 13 33.271 0.400 . 1 . . . A 163 LYS CB . 18794 1 345 . 1 1 31 31 LYS CG C 13 25.521 0.400 . 1 . . . A 163 LYS CG . 18794 1 346 . 1 1 31 31 LYS CD C 13 28.427 0.400 . 1 . . . A 163 LYS CD . 18794 1 347 . 1 1 31 31 LYS CE C 13 42.475 0.400 . 1 . . . A 163 LYS CE . 18794 1 348 . 1 1 31 31 LYS N N 15 123.118 0.400 . 1 . . . A 163 LYS N . 18794 1 349 . 1 1 32 32 LYS H H 1 8.163 0.020 . 1 . . . A 164 LYS H . 18794 1 350 . 1 1 32 32 LYS HA H 1 4.980 0.020 . 1 . . . A 164 LYS HA . 18794 1 351 . 1 1 32 32 LYS HB2 H 1 1.683 0.020 . 2 . . . A 164 LYS HB2 . 18794 1 352 . 1 1 32 32 LYS HB3 H 1 1.834 0.020 . 2 . . . A 164 LYS HB3 . 18794 1 353 . 1 1 32 32 LYS HG2 H 1 1.376 0.020 . 2 . . . A 164 LYS HG2 . 18794 1 354 . 1 1 32 32 LYS HG3 H 1 1.485 0.020 . 2 . . . A 164 LYS HG3 . 18794 1 355 . 1 1 32 32 LYS HD2 H 1 1.400 0.020 . 2 . . . A 164 LYS HD2 . 18794 1 356 . 1 1 32 32 LYS HD3 H 1 1.555 0.020 . 2 . . . A 164 LYS HD3 . 18794 1 357 . 1 1 32 32 LYS HE2 H 1 2.874 0.020 . 2 . . . A 164 LYS HE2 . 18794 1 358 . 1 1 32 32 LYS HE3 H 1 2.974 0.020 . 2 . . . A 164 LYS HE3 . 18794 1 359 . 1 1 32 32 LYS C C 13 177.296 0.400 . 1 . . . A 164 LYS C . 18794 1 360 . 1 1 32 32 LYS CA C 13 53.616 0.400 . 1 . . . A 164 LYS CA . 18794 1 361 . 1 1 32 32 LYS CB C 13 34.724 0.400 . 1 . . . A 164 LYS CB . 18794 1 362 . 1 1 32 32 LYS CG C 13 23.583 0.400 . 1 . . . A 164 LYS CG . 18794 1 363 . 1 1 32 32 LYS CD C 13 28.427 0.400 . 1 . . . A 164 LYS CD . 18794 1 364 . 1 1 32 32 LYS CE C 13 41.990 0.400 . 1 . . . A 164 LYS CE . 18794 1 365 . 1 1 32 32 LYS N N 15 118.897 0.400 . 1 . . . A 164 LYS N . 18794 1 366 . 1 1 33 33 SER H H 1 9.057 0.020 . 1 . . . A 165 SER H . 18794 1 367 . 1 1 33 33 SER HA H 1 4.632 0.020 . 1 . . . A 165 SER HA . 18794 1 368 . 1 1 33 33 SER HB2 H 1 3.805 0.020 . 2 . . . A 165 SER HB2 . 18794 1 369 . 1 1 33 33 SER HB3 H 1 4.368 0.020 . 2 . . . A 165 SER HB3 . 18794 1 370 . 1 1 33 33 SER C C 13 175.533 0.400 . 1 . . . A 165 SER C . 18794 1 371 . 1 1 33 33 SER CA C 13 57.007 0.400 . 1 . . . A 165 SER CA . 18794 1 372 . 1 1 33 33 SER CB C 13 65.241 0.400 . 1 . . . A 165 SER CB . 18794 1 373 . 1 1 33 33 SER N N 15 118.127 0.400 . 1 . . . A 165 SER N . 18794 1 374 . 1 1 34 34 LYS H H 1 7.997 0.020 . 1 . . . A 166 LYS H . 18794 1 375 . 1 1 34 34 LYS HA H 1 4.155 0.020 . 1 . . . A 166 LYS HA . 18794 1 376 . 1 1 34 34 LYS HB2 H 1 1.866 0.020 . 1 . . . A 166 LYS HB2 . 18794 1 377 . 1 1 34 34 LYS HB3 H 1 1.866 0.020 . 1 . . . A 166 LYS HB3 . 18794 1 378 . 1 1 34 34 LYS HG2 H 1 1.474 0.020 . 2 . . . A 166 LYS HG2 . 18794 1 379 . 1 1 34 34 LYS HG3 H 1 1.547 0.020 . 2 . . . A 166 LYS HG3 . 18794 1 380 . 1 1 34 34 LYS HD2 H 1 1.719 0.020 . 1 . . . A 166 LYS HD2 . 18794 1 381 . 1 1 34 34 LYS HD3 H 1 1.719 0.020 . 1 . . . A 166 LYS HD3 . 18794 1 382 . 1 1 34 34 LYS HE2 H 1 2.999 0.020 . 1 . . . A 166 LYS HE2 . 18794 1 383 . 1 1 34 34 LYS HE3 H 1 2.999 0.020 . 1 . . . A 166 LYS HE3 . 18794 1 384 . 1 1 34 34 LYS C C 13 173.900 0.400 . 1 . . . A 166 LYS C . 18794 1 385 . 1 1 34 34 LYS CA C 13 58.460 0.400 . 1 . . . A 166 LYS CA . 18794 1 386 . 1 1 34 34 LYS CB C 13 31.818 0.400 . 1 . . . A 166 LYS CB . 18794 1 387 . 1 1 34 34 LYS CG C 13 24.552 0.400 . 1 . . . A 166 LYS CG . 18794 1 388 . 1 1 34 34 LYS CD C 13 28.912 0.400 . 1 . . . A 166 LYS CD . 18794 1 389 . 1 1 34 34 LYS CE C 13 41.990 0.400 . 1 . . . A 166 LYS CE . 18794 1 390 . 1 1 34 34 LYS N N 15 116.351 0.400 . 1 . . . A 166 LYS N . 18794 1 391 . 1 1 35 35 GLY HA2 H 1 3.832 0.020 . 2 . . . A 167 GLY HA2 . 18794 1 392 . 1 1 35 35 GLY HA3 H 1 4.028 0.020 . 2 . . . A 167 GLY HA3 . 18794 1 393 . 1 1 35 35 GLY C C 13 173.041 0.400 . 1 . . . A 167 GLY C . 18794 1 394 . 1 1 35 35 GLY CA C 13 45.381 0.400 . 1 . . . A 167 GLY CA . 18794 1 395 . 1 1 36 36 ASN H H 1 8.411 0.020 . 1 . . . A 168 ASN H . 18794 1 396 . 1 1 36 36 ASN HA H 1 4.427 0.020 . 1 . . . A 168 ASN HA . 18794 1 397 . 1 1 36 36 ASN HB2 H 1 2.726 0.020 . 2 . . . A 168 ASN HB2 . 18794 1 398 . 1 1 36 36 ASN HB3 H 1 3.172 0.020 . 2 . . . A 168 ASN HB3 . 18794 1 399 . 1 1 36 36 ASN HD21 H 1 7.573 0.020 . 2 . . . A 168 ASN HD21 . 18794 1 400 . 1 1 36 36 ASN HD22 H 1 6.844 0.020 . 2 . . . A 168 ASN HD22 . 18794 1 401 . 1 1 36 36 ASN C C 13 173.967 0.400 . 1 . . . A 168 ASN C . 18794 1 402 . 1 1 36 36 ASN CA C 13 54.100 0.400 . 1 . . . A 168 ASN CA . 18794 1 403 . 1 1 36 36 ASN CB C 13 37.631 0.400 . 1 . . . A 168 ASN CB . 18794 1 404 . 1 1 36 36 ASN N N 15 117.305 0.400 . 1 . . . A 168 ASN N . 18794 1 405 . 1 1 36 36 ASN ND2 N 15 112.063 0.400 . 1 . . . A 168 ASN ND2 . 18794 1 406 . 1 1 37 37 LYS H H 1 7.526 0.020 . 1 . . . A 169 LYS H . 18794 1 407 . 1 1 37 37 LYS HA H 1 4.544 0.020 . 1 . . . A 169 LYS HA . 18794 1 408 . 1 1 37 37 LYS HB2 H 1 1.685 0.020 . 2 . . . A 169 LYS HB2 . 18794 1 409 . 1 1 37 37 LYS HB3 H 1 1.873 0.020 . 2 . . . A 169 LYS HB3 . 18794 1 410 . 1 1 37 37 LYS HG2 H 1 1.367 0.020 . 2 . . . A 169 LYS HG2 . 18794 1 411 . 1 1 37 37 LYS HG3 H 1 1.432 0.020 . 2 . . . A 169 LYS HG3 . 18794 1 412 . 1 1 37 37 LYS HD2 H 1 1.680 0.020 . 1 . . . A 169 LYS HD2 . 18794 1 413 . 1 1 37 37 LYS HD3 H 1 1.680 0.020 . 1 . . . A 169 LYS HD3 . 18794 1 414 . 1 1 37 37 LYS HE2 H 1 2.879 0.020 . 2 . . . A 169 LYS HE2 . 18794 1 415 . 1 1 37 37 LYS HE3 H 1 2.976 0.020 . 2 . . . A 169 LYS HE3 . 18794 1 416 . 1 1 37 37 LYS C C 13 175.844 0.400 . 1 . . . A 169 LYS C . 18794 1 417 . 1 1 37 37 LYS CA C 13 55.069 0.400 . 1 . . . A 169 LYS CA . 18794 1 418 . 1 1 37 37 LYS CB C 13 33.756 0.400 . 1 . . . A 169 LYS CB . 18794 1 419 . 1 1 37 37 LYS CG C 13 24.552 0.400 . 1 . . . A 169 LYS CG . 18794 1 420 . 1 1 37 37 LYS CD C 13 28.912 0.400 . 1 . . . A 169 LYS CD . 18794 1 421 . 1 1 37 37 LYS CE C 13 42.475 0.400 . 1 . . . A 169 LYS CE . 18794 1 422 . 1 1 37 37 LYS N N 15 118.275 0.400 . 1 . . . A 169 LYS N . 18794 1 423 . 1 1 38 38 ASP H H 1 8.422 0.020 . 1 . . . A 170 ASP H . 18794 1 424 . 1 1 38 38 ASP HA H 1 4.662 0.020 . 1 . . . A 170 ASP HA . 18794 1 425 . 1 1 38 38 ASP HB2 H 1 2.545 0.020 . 2 . . . A 170 ASP HB2 . 18794 1 426 . 1 1 38 38 ASP HB3 H 1 2.823 0.020 . 2 . . . A 170 ASP HB3 . 18794 1 427 . 1 1 38 38 ASP C C 13 175.922 0.400 . 1 . . . A 170 ASP C . 18794 1 428 . 1 1 38 38 ASP CA C 13 55.069 0.400 . 1 . . . A 170 ASP CA . 18794 1 429 . 1 1 38 38 ASP CB C 13 41.506 0.400 . 1 . . . A 170 ASP CB . 18794 1 430 . 1 1 38 38 ASP N N 15 122.866 0.400 . 1 . . . A 170 ASP N . 18794 1 431 . 1 1 39 39 MET H H 1 8.094 0.020 . 1 . . . A 171 MET H . 18794 1 432 . 1 1 39 39 MET HA H 1 4.617 0.020 . 1 . . . A 171 MET HA . 18794 1 433 . 1 1 39 39 MET HB2 H 1 2.137 0.020 . 2 . . . A 171 MET HB2 . 18794 1 434 . 1 1 39 39 MET HB3 H 1 2.277 0.020 . 2 . . . A 171 MET HB3 . 18794 1 435 . 1 1 39 39 MET HG2 H 1 2.132 0.020 . 2 . . . A 171 MET HG2 . 18794 1 436 . 1 1 39 39 MET HG3 H 1 2.465 0.020 . 2 . . . A 171 MET HG3 . 18794 1 437 . 1 1 39 39 MET HE1 H 1 1.912 0.020 . 1 . . . A 171 MET HE1 . 18794 1 438 . 1 1 39 39 MET HE2 H 1 1.912 0.020 . 1 . . . A 171 MET HE2 . 18794 1 439 . 1 1 39 39 MET HE3 H 1 1.912 0.020 . 1 . . . A 171 MET HE3 . 18794 1 440 . 1 1 39 39 MET C C 13 174.393 0.400 . 1 . . . A 171 MET C . 18794 1 441 . 1 1 39 39 MET CA C 13 56.038 0.400 . 1 . . . A 171 MET CA . 18794 1 442 . 1 1 39 39 MET CB C 13 34.240 0.400 . 1 . . . A 171 MET CB . 18794 1 443 . 1 1 39 39 MET CG C 13 34.240 0.400 . 1 . . . A 171 MET CG . 18794 1 444 . 1 1 39 39 MET CE C 13 18.255 0.400 . 1 . . . A 171 MET CE . 18794 1 445 . 1 1 39 39 MET N N 15 120.149 0.400 . 1 . . . A 171 MET N . 18794 1 446 . 1 1 40 40 ILE H H 1 8.607 0.020 . 1 . . . A 172 ILE H . 18794 1 447 . 1 1 40 40 ILE HA H 1 4.588 0.020 . 1 . . . A 172 ILE HA . 18794 1 448 . 1 1 40 40 ILE HB H 1 1.801 0.020 . 1 . . . A 172 ILE HB . 18794 1 449 . 1 1 40 40 ILE HG12 H 1 1.044 0.020 . 2 . . . A 172 ILE HG12 . 18794 1 450 . 1 1 40 40 ILE HG13 H 1 1.280 0.020 . 2 . . . A 172 ILE HG13 . 18794 1 451 . 1 1 40 40 ILE HG21 H 1 0.822 0.020 . 1 . . . A 172 ILE HG21 . 18794 1 452 . 1 1 40 40 ILE HG22 H 1 0.822 0.020 . 1 . . . A 172 ILE HG22 . 18794 1 453 . 1 1 40 40 ILE HG23 H 1 0.822 0.020 . 1 . . . A 172 ILE HG23 . 18794 1 454 . 1 1 40 40 ILE HD11 H 1 0.761 0.020 . 1 . . . A 172 ILE HD11 . 18794 1 455 . 1 1 40 40 ILE HD12 H 1 0.761 0.020 . 1 . . . A 172 ILE HD12 . 18794 1 456 . 1 1 40 40 ILE HD13 H 1 0.761 0.020 . 1 . . . A 172 ILE HD13 . 18794 1 457 . 1 1 40 40 ILE C C 13 175.702 0.400 . 1 . . . A 172 ILE C . 18794 1 458 . 1 1 40 40 ILE CA C 13 58.944 0.400 . 1 . . . A 172 ILE CA . 18794 1 459 . 1 1 40 40 ILE CB C 13 41.990 0.400 . 1 . . . A 172 ILE CB . 18794 1 460 . 1 1 40 40 ILE CG1 C 13 26.490 0.400 . 1 . . . A 172 ILE CG1 . 18794 1 461 . 1 1 40 40 ILE CG2 C 13 18.255 0.400 . 1 . . . A 172 ILE CG2 . 18794 1 462 . 1 1 40 40 ILE CD1 C 13 13.895 0.400 . 1 . . . A 172 ILE CD1 . 18794 1 463 . 1 1 40 40 ILE N N 15 114.025 0.400 . 1 . . . A 172 ILE N . 18794 1 464 . 1 1 41 41 VAL H H 1 8.470 0.020 . 1 . . . A 173 VAL H . 18794 1 465 . 1 1 41 41 VAL HA H 1 4.595 0.020 . 1 . . . A 173 VAL HA . 18794 1 466 . 1 1 41 41 VAL HB H 1 1.966 0.020 . 1 . . . A 173 VAL HB . 18794 1 467 . 1 1 41 41 VAL HG11 H 1 0.861 0.020 . 2 . . . A 173 VAL HG11 . 18794 1 468 . 1 1 41 41 VAL HG12 H 1 0.861 0.020 . 2 . . . A 173 VAL HG12 . 18794 1 469 . 1 1 41 41 VAL HG13 H 1 0.861 0.020 . 2 . . . A 173 VAL HG13 . 18794 1 470 . 1 1 41 41 VAL HG21 H 1 0.937 0.020 . 2 . . . A 173 VAL HG21 . 18794 1 471 . 1 1 41 41 VAL HG22 H 1 0.937 0.020 . 2 . . . A 173 VAL HG22 . 18794 1 472 . 1 1 41 41 VAL HG23 H 1 0.937 0.020 . 2 . . . A 173 VAL HG23 . 18794 1 473 . 1 1 41 41 VAL C C 13 175.780 0.400 . 1 . . . A 173 VAL C . 18794 1 474 . 1 1 41 41 VAL CA C 13 62.335 0.400 . 1 . . . A 173 VAL CA . 18794 1 475 . 1 1 41 41 VAL CB C 13 32.302 0.400 . 1 . . . A 173 VAL CB . 18794 1 476 . 1 1 41 41 VAL CG1 C 13 22.130 0.400 . 1 . . . A 173 VAL CG1 . 18794 1 477 . 1 1 41 41 VAL CG2 C 13 21.161 0.400 . 1 . . . A 173 VAL CG2 . 18794 1 478 . 1 1 41 41 VAL N N 15 123.258 0.400 . 1 . . . A 173 VAL N . 18794 1 479 . 1 1 42 42 ARG H H 1 9.371 0.020 . 1 . . . A 174 ARG H . 18794 1 480 . 1 1 42 42 ARG HA H 1 4.480 0.020 . 1 . . . A 174 ARG HA . 18794 1 481 . 1 1 42 42 ARG HB2 H 1 1.684 0.020 . 2 . . . A 174 ARG HB2 . 18794 1 482 . 1 1 42 42 ARG HB3 H 1 1.791 0.020 . 2 . . . A 174 ARG HB3 . 18794 1 483 . 1 1 42 42 ARG HG2 H 1 1.654 0.020 . 2 . . . A 174 ARG HG2 . 18794 1 484 . 1 1 42 42 ARG HG3 H 1 1.741 0.020 . 2 . . . A 174 ARG HG3 . 18794 1 485 . 1 1 42 42 ARG HD2 H 1 3.281 0.020 . 2 . . . A 174 ARG HD2 . 18794 1 486 . 1 1 42 42 ARG HD3 H 1 3.314 0.020 . 2 . . . A 174 ARG HD3 . 18794 1 487 . 1 1 42 42 ARG C C 13 175.870 0.400 . 1 . . . A 174 ARG C . 18794 1 488 . 1 1 42 42 ARG CA C 13 56.522 0.400 . 1 . . . A 174 ARG CA . 18794 1 489 . 1 1 42 42 ARG CB C 13 31.818 0.400 . 1 . . . A 174 ARG CB . 18794 1 490 . 1 1 42 42 ARG CG C 13 26.490 0.400 . 1 . . . A 174 ARG CG . 18794 1 491 . 1 1 42 42 ARG CD C 13 42.475 0.400 . 1 . . . A 174 ARG CD . 18794 1 492 . 1 1 42 42 ARG N N 15 130.996 0.400 . 1 . . . A 174 ARG N . 18794 1 493 . 1 1 43 43 SER H H 1 7.742 0.020 . 1 . . . A 175 SER H . 18794 1 494 . 1 1 43 43 SER HA H 1 4.699 0.020 . 1 . . . A 175 SER HA . 18794 1 495 . 1 1 43 43 SER HB2 H 1 3.839 0.020 . 1 . . . A 175 SER HB2 . 18794 1 496 . 1 1 43 43 SER HB3 H 1 3.839 0.020 . 1 . . . A 175 SER HB3 . 18794 1 497 . 1 1 43 43 SER C C 13 171.725 0.400 . 1 . . . A 175 SER C . 18794 1 498 . 1 1 43 43 SER CA C 13 57.491 0.400 . 1 . . . A 175 SER CA . 18794 1 499 . 1 1 43 43 SER CB C 13 64.757 0.400 . 1 . . . A 175 SER CB . 18794 1 500 . 1 1 43 43 SER N N 15 110.900 0.400 . 1 . . . A 175 SER N . 18794 1 501 . 1 1 44 44 PHE H H 1 8.234 0.020 . 1 . . . A 176 PHE H . 18794 1 502 . 1 1 44 44 PHE HA H 1 5.540 0.020 . 1 . . . A 176 PHE HA . 18794 1 503 . 1 1 44 44 PHE HB2 H 1 3.014 0.020 . 1 . . . A 176 PHE HB2 . 18794 1 504 . 1 1 44 44 PHE HB3 H 1 3.014 0.020 . 1 . . . A 176 PHE HB3 . 18794 1 505 . 1 1 44 44 PHE HD1 H 1 6.864 0.020 . 1 . . . A 176 PHE HD1 . 18794 1 506 . 1 1 44 44 PHE HD2 H 1 6.864 0.020 . 1 . . . A 176 PHE HD2 . 18794 1 507 . 1 1 44 44 PHE HE1 H 1 6.984 0.020 . 1 . . . A 176 PHE HE1 . 18794 1 508 . 1 1 44 44 PHE HE2 H 1 6.984 0.020 . 1 . . . A 176 PHE HE2 . 18794 1 509 . 1 1 44 44 PHE HZ H 1 7.062 0.020 . 1 . . . A 176 PHE HZ . 18794 1 510 . 1 1 44 44 PHE C C 13 172.941 0.400 . 1 . . . A 176 PHE C . 18794 1 511 . 1 1 44 44 PHE CA C 13 57.491 0.400 . 1 . . . A 176 PHE CA . 18794 1 512 . 1 1 44 44 PHE CB C 13 41.990 0.400 . 1 . . . A 176 PHE CB . 18794 1 513 . 1 1 44 44 PHE N N 15 117.024 0.400 . 1 . . . A 176 PHE N . 18794 1 514 . 1 1 45 45 ALA H H 1 9.206 0.020 . 1 . . . A 177 ALA H . 18794 1 515 . 1 1 45 45 ALA HA H 1 4.546 0.020 . 1 . . . A 177 ALA HA . 18794 1 516 . 1 1 45 45 ALA HB1 H 1 1.331 0.020 . 1 . . . A 177 ALA HB1 . 18794 1 517 . 1 1 45 45 ALA HB2 H 1 1.331 0.020 . 1 . . . A 177 ALA HB2 . 18794 1 518 . 1 1 45 45 ALA HB3 H 1 1.331 0.020 . 1 . . . A 177 ALA HB3 . 18794 1 519 . 1 1 45 45 ALA C C 13 176.337 0.400 . 1 . . . A 177 ALA C . 18794 1 520 . 1 1 45 45 ALA CA C 13 51.678 0.400 . 1 . . . A 177 ALA CA . 18794 1 521 . 1 1 45 45 ALA CB C 13 22.130 0.400 . 1 . . . A 177 ALA CB . 18794 1 522 . 1 1 45 45 ALA N N 15 124.428 0.400 . 1 . . . A 177 ALA N . 18794 1 523 . 1 1 46 46 VAL H H 1 7.958 0.020 . 1 . . . A 178 VAL H . 18794 1 524 . 1 1 46 46 VAL HA H 1 4.452 0.020 . 1 . . . A 178 VAL HA . 18794 1 525 . 1 1 46 46 VAL HB H 1 1.545 0.020 . 1 . . . A 178 VAL HB . 18794 1 526 . 1 1 46 46 VAL HG11 H 1 0.046 0.020 . 2 . . . A 178 VAL HG11 . 18794 1 527 . 1 1 46 46 VAL HG12 H 1 0.046 0.020 . 2 . . . A 178 VAL HG12 . 18794 1 528 . 1 1 46 46 VAL HG13 H 1 0.046 0.020 . 2 . . . A 178 VAL HG13 . 18794 1 529 . 1 1 46 46 VAL HG21 H 1 0.863 0.020 . 2 . . . A 178 VAL HG21 . 18794 1 530 . 1 1 46 46 VAL HG22 H 1 0.863 0.020 . 2 . . . A 178 VAL HG22 . 18794 1 531 . 1 1 46 46 VAL HG23 H 1 0.863 0.020 . 2 . . . A 178 VAL HG23 . 18794 1 532 . 1 1 46 46 VAL C C 13 175.844 0.400 . 1 . . . A 178 VAL C . 18794 1 533 . 1 1 46 46 VAL CA C 13 61.366 0.400 . 1 . . . A 178 VAL CA . 18794 1 534 . 1 1 46 46 VAL CB C 13 33.271 0.400 . 1 . . . A 178 VAL CB . 18794 1 535 . 1 1 46 46 VAL CG1 C 13 16.317 0.400 . 1 . . . A 178 VAL CG1 . 18794 1 536 . 1 1 46 46 VAL CG2 C 13 23.099 0.400 . 1 . . . A 178 VAL CG2 . 18794 1 537 . 1 1 46 46 VAL N N 15 114.195 0.400 . 1 . . . A 178 VAL N . 18794 1 538 . 1 1 47 47 LEU H H 1 7.404 0.020 . 1 . . . A 179 LEU H . 18794 1 539 . 1 1 47 47 LEU HA H 1 4.532 0.020 . 1 . . . A 179 LEU HA . 18794 1 540 . 1 1 47 47 LEU HB2 H 1 1.130 0.020 . 2 . . . A 179 LEU HB2 . 18794 1 541 . 1 1 47 47 LEU HB3 H 1 1.465 0.020 . 2 . . . A 179 LEU HB3 . 18794 1 542 . 1 1 47 47 LEU HG H 1 1.187 0.020 . 1 . . . A 179 LEU HG . 18794 1 543 . 1 1 47 47 LEU HD11 H 1 0.549 0.020 . 2 . . . A 179 LEU HD11 . 18794 1 544 . 1 1 47 47 LEU HD12 H 1 0.549 0.020 . 2 . . . A 179 LEU HD12 . 18794 1 545 . 1 1 47 47 LEU HD13 H 1 0.549 0.020 . 2 . . . A 179 LEU HD13 . 18794 1 546 . 1 1 47 47 LEU HD21 H 1 0.652 0.020 . 2 . . . A 179 LEU HD21 . 18794 1 547 . 1 1 47 47 LEU HD22 H 1 0.652 0.020 . 2 . . . A 179 LEU HD22 . 18794 1 548 . 1 1 47 47 LEU HD23 H 1 0.652 0.020 . 2 . . . A 179 LEU HD23 . 18794 1 549 . 1 1 47 47 LEU C C 13 175.598 0.400 . 1 . . . A 179 LEU C . 18794 1 550 . 1 1 47 47 LEU CA C 13 53.131 0.400 . 1 . . . A 179 LEU CA . 18794 1 551 . 1 1 47 47 LEU CB C 13 41.506 0.400 . 1 . . . A 179 LEU CB . 18794 1 552 . 1 1 47 47 LEU CG C 13 26.490 0.400 . 1 . . . A 179 LEU CG . 18794 1 553 . 1 1 47 47 LEU CD1 C 13 25.521 0.400 . 1 . . . A 179 LEU CD1 . 18794 1 554 . 1 1 47 47 LEU CD2 C 13 22.130 0.400 . 1 . . . A 179 LEU CD2 . 18794 1 555 . 1 1 47 47 LEU N N 15 119.734 0.400 . 1 . . . A 179 LEU N . 18794 1 556 . 1 1 48 48 GLU H H 1 7.962 0.020 . 1 . . . A 180 GLU H . 18794 1 557 . 1 1 48 48 GLU HA H 1 4.277 0.020 . 1 . . . A 180 GLU HA . 18794 1 558 . 1 1 48 48 GLU HB2 H 1 2.114 0.020 . 1 . . . A 180 GLU HB2 . 18794 1 559 . 1 1 48 48 GLU HB3 H 1 2.114 0.020 . 1 . . . A 180 GLU HB3 . 18794 1 560 . 1 1 48 48 GLU HG2 H 1 2.253 0.020 . 2 . . . A 180 GLU HG2 . 18794 1 561 . 1 1 48 48 GLU HG3 H 1 2.340 0.020 . 2 . . . A 180 GLU HG3 . 18794 1 562 . 1 1 48 48 GLU C C 13 173.913 0.400 . 1 . . . A 180 GLU C . 18794 1 563 . 1 1 48 48 GLU CA C 13 56.522 0.400 . 1 . . . A 180 GLU CA . 18794 1 564 . 1 1 48 48 GLU CB C 13 28.427 0.400 . 1 . . . A 180 GLU CB . 18794 1 565 . 1 1 48 48 GLU CG C 13 36.178 0.400 . 1 . . . A 180 GLU CG . 18794 1 566 . 1 1 48 48 GLU N N 15 116.935 0.400 . 1 . . . A 180 GLU N . 18794 1 567 . 1 1 49 49 PRO HA H 1 4.970 0.020 . 1 . . . A 181 PRO HA . 18794 1 568 . 1 1 49 49 PRO HB2 H 1 1.922 0.020 . 2 . . . A 181 PRO HB2 . 18794 1 569 . 1 1 49 49 PRO HB3 H 1 2.461 0.020 . 2 . . . A 181 PRO HB3 . 18794 1 570 . 1 1 49 49 PRO HG2 H 1 2.215 0.020 . 1 . . . A 181 PRO HG2 . 18794 1 571 . 1 1 49 49 PRO HG3 H 1 2.215 0.020 . 1 . . . A 181 PRO HG3 . 18794 1 572 . 1 1 49 49 PRO HD2 H 1 3.802 0.020 . 2 . . . A 181 PRO HD2 . 18794 1 573 . 1 1 49 49 PRO HD3 H 1 4.098 0.020 . 2 . . . A 181 PRO HD3 . 18794 1 574 . 1 1 49 49 PRO C C 13 177.452 0.400 . 1 . . . A 181 PRO C . 18794 1 575 . 1 1 49 49 PRO CA C 13 62.819 0.400 . 1 . . . A 181 PRO CA . 18794 1 576 . 1 1 49 49 PRO CB C 13 32.302 0.400 . 1 . . . A 181 PRO CB . 18794 1 577 . 1 1 49 49 PRO CG C 13 27.458 0.400 . 1 . . . A 181 PRO CG . 18794 1 578 . 1 1 49 49 PRO CD C 13 50.709 0.400 . 1 . . . A 181 PRO CD . 18794 1 579 . 1 1 50 50 CYS H H 1 8.637 0.020 . 1 . . . A 182 CYS H . 18794 1 580 . 1 1 50 50 CYS HA H 1 4.819 0.020 . 1 . . . A 182 CYS HA . 18794 1 581 . 1 1 50 50 CYS HB2 H 1 3.218 0.020 . 2 . . . A 182 CYS HB2 . 18794 1 582 . 1 1 50 50 CYS HB3 H 1 3.319 0.020 . 2 . . . A 182 CYS HB3 . 18794 1 583 . 1 1 50 50 CYS C C 13 172.799 0.400 . 1 . . . A 182 CYS C . 18794 1 584 . 1 1 50 50 CYS CA C 13 54.585 0.400 . 1 . . . A 182 CYS CA . 18794 1 585 . 1 1 50 50 CYS CB C 13 46.350 0.400 . 1 . . . A 182 CYS CB . 18794 1 586 . 1 1 50 50 CYS N N 15 117.875 0.400 . 1 . . . A 182 CYS N . 18794 1 587 . 1 1 51 51 ALA H H 1 8.168 0.020 . 1 . . . A 183 ALA H . 18794 1 588 . 1 1 51 51 ALA HA H 1 4.247 0.020 . 1 . . . A 183 ALA HA . 18794 1 589 . 1 1 51 51 ALA HB1 H 1 1.408 0.020 . 1 . . . A 183 ALA HB1 . 18794 1 590 . 1 1 51 51 ALA HB2 H 1 1.408 0.020 . 1 . . . A 183 ALA HB2 . 18794 1 591 . 1 1 51 51 ALA HB3 H 1 1.408 0.020 . 1 . . . A 183 ALA HB3 . 18794 1 592 . 1 1 51 51 ALA C C 13 176.078 0.400 . 1 . . . A 183 ALA C . 18794 1 593 . 1 1 51 51 ALA CA C 13 51.194 0.400 . 1 . . . A 183 ALA CA . 18794 1 594 . 1 1 51 51 ALA CB C 13 20.192 0.400 . 1 . . . A 183 ALA CB . 18794 1 595 . 1 1 51 51 ALA N N 15 124.162 0.400 . 1 . . . A 183 ALA N . 18794 1 596 . 1 1 52 52 LEU H H 1 8.320 0.020 . 1 . . . A 184 LEU H . 18794 1 597 . 1 1 52 52 LEU HA H 1 4.139 0.020 . 1 . . . A 184 LEU HA . 18794 1 598 . 1 1 52 52 LEU HB2 H 1 1.576 0.020 . 2 . . . A 184 LEU HB2 . 18794 1 599 . 1 1 52 52 LEU HB3 H 1 1.635 0.020 . 2 . . . A 184 LEU HB3 . 18794 1 600 . 1 1 52 52 LEU HG H 1 1.575 0.020 . 1 . . . A 184 LEU HG . 18794 1 601 . 1 1 52 52 LEU HD11 H 1 0.916 0.020 . 2 . . . A 184 LEU HD11 . 18794 1 602 . 1 1 52 52 LEU HD12 H 1 0.916 0.020 . 2 . . . A 184 LEU HD12 . 18794 1 603 . 1 1 52 52 LEU HD13 H 1 0.916 0.020 . 2 . . . A 184 LEU HD13 . 18794 1 604 . 1 1 52 52 LEU HD21 H 1 0.944 0.020 . 2 . . . A 184 LEU HD21 . 18794 1 605 . 1 1 52 52 LEU HD22 H 1 0.944 0.020 . 2 . . . A 184 LEU HD22 . 18794 1 606 . 1 1 52 52 LEU HD23 H 1 0.944 0.020 . 2 . . . A 184 LEU HD23 . 18794 1 607 . 1 1 52 52 LEU C C 13 176.933 0.400 . 1 . . . A 184 LEU C . 18794 1 608 . 1 1 52 52 LEU CA C 13 57.491 0.400 . 1 . . . A 184 LEU CA . 18794 1 609 . 1 1 52 52 LEU CB C 13 41.021 0.400 . 1 . . . A 184 LEU CB . 18794 1 610 . 1 1 52 52 LEU CG C 13 26.490 0.400 . 1 . . . A 184 LEU CG . 18794 1 611 . 1 1 52 52 LEU CD1 C 13 24.552 0.400 . 1 . . . A 184 LEU CD1 . 18794 1 612 . 1 1 52 52 LEU CD2 C 13 24.068 0.400 . 1 . . . A 184 LEU CD2 . 18794 1 613 . 1 1 52 52 LEU N N 15 120.704 0.400 . 1 . . . A 184 LEU N . 18794 1 614 . 1 1 53 53 ASP H H 1 8.586 0.020 . 1 . . . A 185 ASP H . 18794 1 615 . 1 1 53 53 ASP HA H 1 4.398 0.020 . 1 . . . A 185 ASP HA . 18794 1 616 . 1 1 53 53 ASP HB2 H 1 2.913 0.020 . 2 . . . A 185 ASP HB2 . 18794 1 617 . 1 1 53 53 ASP HB3 H 1 2.953 0.020 . 2 . . . A 185 ASP HB3 . 18794 1 618 . 1 1 53 53 ASP C C 13 174.378 0.400 . 1 . . . A 185 ASP C . 18794 1 619 . 1 1 53 53 ASP CA C 13 55.553 0.400 . 1 . . . A 185 ASP CA . 18794 1 620 . 1 1 53 53 ASP CB C 13 40.053 0.400 . 1 . . . A 185 ASP CB . 18794 1 621 . 1 1 53 53 ASP N N 15 119.978 0.400 . 1 . . . A 185 ASP N . 18794 1 622 . 1 1 54 54 MET H H 1 7.085 0.020 . 1 . . . A 186 MET H . 18794 1 623 . 1 1 54 54 MET HA H 1 4.820 0.020 . 1 . . . A 186 MET HA . 18794 1 624 . 1 1 54 54 MET HB2 H 1 1.517 0.020 . 2 . . . A 186 MET HB2 . 18794 1 625 . 1 1 54 54 MET HB3 H 1 1.832 0.020 . 2 . . . A 186 MET HB3 . 18794 1 626 . 1 1 54 54 MET HG2 H 1 2.269 0.020 . 2 . . . A 186 MET HG2 . 18794 1 627 . 1 1 54 54 MET HG3 H 1 2.543 0.020 . 2 . . . A 186 MET HG3 . 18794 1 628 . 1 1 54 54 MET HE1 H 1 2.036 0.020 . 1 . . . A 186 MET HE1 . 18794 1 629 . 1 1 54 54 MET HE2 H 1 2.036 0.020 . 1 . . . A 186 MET HE2 . 18794 1 630 . 1 1 54 54 MET HE3 H 1 2.036 0.020 . 1 . . . A 186 MET HE3 . 18794 1 631 . 1 1 54 54 MET C C 13 175.365 0.400 . 1 . . . A 186 MET C . 18794 1 632 . 1 1 54 54 MET CA C 13 55.069 0.400 . 1 . . . A 186 MET CA . 18794 1 633 . 1 1 54 54 MET CB C 13 38.599 0.400 . 1 . . . A 186 MET CB . 18794 1 634 . 1 1 54 54 MET CG C 13 32.302 0.400 . 1 . . . A 186 MET CG . 18794 1 635 . 1 1 54 54 MET CE C 13 18.255 0.400 . 1 . . . A 186 MET CE . 18794 1 636 . 1 1 54 54 MET N N 15 115.143 0.400 . 1 . . . A 186 MET N . 18794 1 637 . 1 1 55 55 PHE H H 1 9.664 0.020 . 1 . . . A 187 PHE H . 18794 1 638 . 1 1 55 55 PHE HA H 1 5.538 0.020 . 1 . . . A 187 PHE HA . 18794 1 639 . 1 1 55 55 PHE HB2 H 1 2.825 0.020 . 2 . . . A 187 PHE HB2 . 18794 1 640 . 1 1 55 55 PHE HB3 H 1 3.474 0.020 . 2 . . . A 187 PHE HB3 . 18794 1 641 . 1 1 55 55 PHE HD1 H 1 7.237 0.020 . 1 . . . A 187 PHE HD1 . 18794 1 642 . 1 1 55 55 PHE HD2 H 1 7.237 0.020 . 1 . . . A 187 PHE HD2 . 18794 1 643 . 1 1 55 55 PHE HE1 H 1 7.504 0.020 . 1 . . . A 187 PHE HE1 . 18794 1 644 . 1 1 55 55 PHE HE2 H 1 7.504 0.020 . 1 . . . A 187 PHE HE2 . 18794 1 645 . 1 1 55 55 PHE HZ H 1 7.179 0.020 . 1 . . . A 187 PHE HZ . 18794 1 646 . 1 1 55 55 PHE C C 13 177.828 0.400 . 1 . . . A 187 PHE C . 18794 1 647 . 1 1 55 55 PHE CA C 13 57.975 0.400 . 1 . . . A 187 PHE CA . 18794 1 648 . 1 1 55 55 PHE CB C 13 43.928 0.400 . 1 . . . A 187 PHE CB . 18794 1 649 . 1 1 55 55 PHE N N 15 119.534 0.400 . 1 . . . A 187 PHE N . 18794 1 650 . 1 1 56 56 THR H H 1 8.923 0.020 . 1 . . . A 188 THR H . 18794 1 651 . 1 1 56 56 THR HA H 1 4.955 0.020 . 1 . . . A 188 THR HA . 18794 1 652 . 1 1 56 56 THR HB H 1 4.714 0.020 . 1 . . . A 188 THR HB . 18794 1 653 . 1 1 56 56 THR HG21 H 1 1.390 0.020 . 1 . . . A 188 THR HG21 . 18794 1 654 . 1 1 56 56 THR HG22 H 1 1.390 0.020 . 1 . . . A 188 THR HG22 . 18794 1 655 . 1 1 56 56 THR HG23 H 1 1.390 0.020 . 1 . . . A 188 THR HG23 . 18794 1 656 . 1 1 56 56 THR C C 13 173.317 0.400 . 1 . . . A 188 THR C . 18794 1 657 . 1 1 56 56 THR CA C 13 63.304 0.400 . 1 . . . A 188 THR CA . 18794 1 658 . 1 1 56 56 THR CB C 13 70.085 0.400 . 1 . . . A 188 THR CB . 18794 1 659 . 1 1 56 56 THR CG2 C 13 22.614 0.400 . 1 . . . A 188 THR CG2 . 18794 1 660 . 1 1 56 56 THR N N 15 113.981 0.400 . 1 . . . A 188 THR N . 18794 1 661 . 1 1 57 57 GLY H H 1 6.724 0.020 . 1 . . . A 189 GLY H . 18794 1 662 . 1 1 57 57 GLY HA2 H 1 2.327 0.020 . 2 . . . A 189 GLY HA2 . 18794 1 663 . 1 1 57 57 GLY HA3 H 1 4.002 0.020 . 2 . . . A 189 GLY HA3 . 18794 1 664 . 1 1 57 57 GLY C C 13 170.234 0.400 . 1 . . . A 189 GLY C . 18794 1 665 . 1 1 57 57 GLY CA C 13 44.897 0.400 . 1 . . . A 189 GLY CA . 18794 1 666 . 1 1 57 57 GLY N N 15 105.991 0.400 . 1 . . . A 189 GLY N . 18794 1 667 . 1 1 58 58 VAL H H 1 8.336 0.020 . 1 . . . A 190 VAL H . 18794 1 668 . 1 1 58 58 VAL HA H 1 4.874 0.020 . 1 . . . A 190 VAL HA . 18794 1 669 . 1 1 58 58 VAL HB H 1 1.946 0.020 . 1 . . . A 190 VAL HB . 18794 1 670 . 1 1 58 58 VAL HG11 H 1 1.068 0.020 . 2 . . . A 190 VAL HG11 . 18794 1 671 . 1 1 58 58 VAL HG12 H 1 1.068 0.020 . 2 . . . A 190 VAL HG12 . 18794 1 672 . 1 1 58 58 VAL HG13 H 1 1.068 0.020 . 2 . . . A 190 VAL HG13 . 18794 1 673 . 1 1 58 58 VAL HG21 H 1 1.125 0.020 . 2 . . . A 190 VAL HG21 . 18794 1 674 . 1 1 58 58 VAL HG22 H 1 1.125 0.020 . 2 . . . A 190 VAL HG22 . 18794 1 675 . 1 1 58 58 VAL HG23 H 1 1.125 0.020 . 2 . . . A 190 VAL HG23 . 18794 1 676 . 1 1 58 58 VAL C C 13 182.818 0.400 . 1 . . . A 190 VAL C . 18794 1 677 . 1 1 58 58 VAL CA C 13 58.944 0.400 . 1 . . . A 190 VAL CA . 18794 1 678 . 1 1 58 58 VAL CB C 13 35.209 0.400 . 1 . . . A 190 VAL CB . 18794 1 679 . 1 1 58 58 VAL CG1 C 13 19.708 0.400 . 1 . . . A 190 VAL CG1 . 18794 1 680 . 1 1 58 58 VAL CG2 C 13 22.130 0.400 . 1 . . . A 190 VAL CG2 . 18794 1 681 . 1 1 58 58 VAL N N 15 116.180 0.400 . 1 . . . A 190 VAL N . 18794 1 682 . 1 1 59 59 GLU H H 1 9.137 0.020 . 1 . . . A 191 GLU H . 18794 1 683 . 1 1 59 59 GLU HA H 1 5.134 0.020 . 1 . . . A 191 GLU HA . 18794 1 684 . 1 1 59 59 GLU HB2 H 1 1.955 0.020 . 2 . . . A 191 GLU HB2 . 18794 1 685 . 1 1 59 59 GLU HB3 H 1 2.132 0.020 . 2 . . . A 191 GLU HB3 . 18794 1 686 . 1 1 59 59 GLU HG2 H 1 2.232 0.020 . 2 . . . A 191 GLU HG2 . 18794 1 687 . 1 1 59 59 GLU HG3 H 1 2.388 0.020 . 2 . . . A 191 GLU HG3 . 18794 1 688 . 1 1 59 59 GLU C C 13 174.923 0.400 . 1 . . . A 191 GLU C . 18794 1 689 . 1 1 59 59 GLU CA C 13 53.616 0.400 . 1 . . . A 191 GLU CA . 18794 1 690 . 1 1 59 59 GLU CB C 13 32.787 0.400 . 1 . . . A 191 GLU CB . 18794 1 691 . 1 1 59 59 GLU CG C 13 35.693 0.400 . 1 . . . A 191 GLU CG . 18794 1 692 . 1 1 59 59 GLU N N 15 125.398 0.400 . 1 . . . A 191 GLU N . 18794 1 693 . 1 1 60 60 PHE H H 1 8.258 0.020 . 1 . . . A 192 PHE H . 18794 1 694 . 1 1 60 60 PHE HA H 1 5.462 0.020 . 1 . . . A 192 PHE HA . 18794 1 695 . 1 1 60 60 PHE HB2 H 1 3.127 0.020 . 2 . . . A 192 PHE HB2 . 18794 1 696 . 1 1 60 60 PHE HB3 H 1 3.344 0.020 . 2 . . . A 192 PHE HB3 . 18794 1 697 . 1 1 60 60 PHE HD1 H 1 6.898 0.020 . 1 . . . A 192 PHE HD1 . 18794 1 698 . 1 1 60 60 PHE HD2 H 1 6.898 0.020 . 1 . . . A 192 PHE HD2 . 18794 1 699 . 1 1 60 60 PHE HE1 H 1 6.989 0.020 . 1 . . . A 192 PHE HE1 . 18794 1 700 . 1 1 60 60 PHE HE2 H 1 6.989 0.020 . 1 . . . A 192 PHE HE2 . 18794 1 701 . 1 1 60 60 PHE HZ H 1 7.061 0.020 . 1 . . . A 192 PHE HZ . 18794 1 702 . 1 1 60 60 PHE C C 13 172.188 0.400 . 1 . . . A 192 PHE C . 18794 1 703 . 1 1 60 60 PHE CA C 13 56.038 0.400 . 1 . . . A 192 PHE CA . 18794 1 704 . 1 1 60 60 PHE CB C 13 41.506 0.400 . 1 . . . A 192 PHE CB . 18794 1 705 . 1 1 60 60 PHE N N 15 116.876 0.400 . 1 . . . A 192 PHE N . 18794 1 706 . 1 1 61 61 VAL H H 1 8.480 0.020 . 1 . . . A 193 VAL H . 18794 1 707 . 1 1 61 61 VAL HA H 1 4.759 0.020 . 1 . . . A 193 VAL HA . 18794 1 708 . 1 1 61 61 VAL HB H 1 1.984 0.020 . 1 . . . A 193 VAL HB . 18794 1 709 . 1 1 61 61 VAL HG11 H 1 0.850 0.020 . 2 . . . A 193 VAL HG11 . 18794 1 710 . 1 1 61 61 VAL HG12 H 1 0.850 0.020 . 2 . . . A 193 VAL HG12 . 18794 1 711 . 1 1 61 61 VAL HG13 H 1 0.850 0.020 . 2 . . . A 193 VAL HG13 . 18794 1 712 . 1 1 61 61 VAL HG21 H 1 0.885 0.020 . 2 . . . A 193 VAL HG21 . 18794 1 713 . 1 1 61 61 VAL HG22 H 1 0.885 0.020 . 2 . . . A 193 VAL HG22 . 18794 1 714 . 1 1 61 61 VAL HG23 H 1 0.885 0.020 . 2 . . . A 193 VAL HG23 . 18794 1 715 . 1 1 61 61 VAL C C 13 175.819 0.400 . 1 . . . A 193 VAL C . 18794 1 716 . 1 1 61 61 VAL CA C 13 61.366 0.400 . 1 . . . A 193 VAL CA . 18794 1 717 . 1 1 61 61 VAL CB C 13 34.240 0.400 . 1 . . . A 193 VAL CB . 18794 1 718 . 1 1 61 61 VAL CG1 C 13 21.646 0.400 . 1 . . . A 193 VAL CG1 . 18794 1 719 . 1 1 61 61 VAL CG2 C 13 21.646 0.400 . 1 . . . A 193 VAL CG2 . 18794 1 720 . 1 1 61 61 VAL N N 15 118.786 0.400 . 1 . . . A 193 VAL N . 18794 1 721 . 1 1 62 62 CYS H H 1 9.176 0.020 . 1 . . . A 194 CYS H . 18794 1 722 . 1 1 62 62 CYS HA H 1 5.879 0.020 . 1 . . . A 194 CYS HA . 18794 1 723 . 1 1 62 62 CYS HB2 H 1 2.606 0.020 . 2 . . . A 194 CYS HB2 . 18794 1 724 . 1 1 62 62 CYS HB3 H 1 2.994 0.020 . 2 . . . A 194 CYS HB3 . 18794 1 725 . 1 1 62 62 CYS C C 13 174.790 0.400 . 1 . . . A 194 CYS C . 18794 1 726 . 1 1 62 62 CYS CA C 13 51.194 0.400 . 1 . . . A 194 CYS CA . 18794 1 727 . 1 1 62 62 CYS CB C 13 38.599 0.400 . 1 . . . A 194 CYS CB . 18794 1 728 . 1 1 62 62 CYS N N 15 125.243 0.400 . 1 . . . A 194 CYS N . 18794 1 729 . 1 1 63 63 CYS H H 1 9.619 0.020 . 1 . . . A 195 CYS H . 18794 1 730 . 1 1 63 63 CYS HA H 1 5.375 0.020 . 1 . . . A 195 CYS HA . 18794 1 731 . 1 1 63 63 CYS HB2 H 1 2.616 0.020 . 2 . . . A 195 CYS HB2 . 18794 1 732 . 1 1 63 63 CYS HB3 H 1 3.318 0.020 . 2 . . . A 195 CYS HB3 . 18794 1 733 . 1 1 63 63 CYS C C 13 171.582 0.400 . 1 . . . A 195 CYS C . 18794 1 734 . 1 1 63 63 CYS CA C 13 53.131 0.400 . 1 . . . A 195 CYS CA . 18794 1 735 . 1 1 63 63 CYS CB C 13 45.381 0.400 . 1 . . . A 195 CYS CB . 18794 1 736 . 1 1 63 63 CYS N N 15 121.659 0.400 . 1 . . . A 195 CYS N . 18794 1 737 . 1 1 64 64 PRO HA H 1 4.734 0.020 . 1 . . . A 196 PRO HA . 18794 1 738 . 1 1 64 64 PRO HB2 H 1 2.044 0.020 . 2 . . . A 196 PRO HB2 . 18794 1 739 . 1 1 64 64 PRO HB3 H 1 2.229 0.020 . 2 . . . A 196 PRO HB3 . 18794 1 740 . 1 1 64 64 PRO HG2 H 1 1.908 0.020 . 2 . . . A 196 PRO HG2 . 18794 1 741 . 1 1 64 64 PRO HG3 H 1 2.143 0.020 . 2 . . . A 196 PRO HG3 . 18794 1 742 . 1 1 64 64 PRO HD2 H 1 3.689 0.020 . 2 . . . A 196 PRO HD2 . 18794 1 743 . 1 1 64 64 PRO HD3 H 1 3.811 0.020 . 2 . . . A 196 PRO HD3 . 18794 1 744 . 1 1 64 64 PRO C C 13 175.373 0.400 . 1 . . . A 196 PRO C . 18794 1 745 . 1 1 64 64 PRO CA C 13 63.304 0.400 . 1 . . . A 196 PRO CA . 18794 1 746 . 1 1 64 64 PRO CB C 13 32.302 0.400 . 1 . . . A 196 PRO CB . 18794 1 747 . 1 1 64 64 PRO CG C 13 27.943 0.400 . 1 . . . A 196 PRO CG . 18794 1 748 . 1 1 64 64 PRO CD C 13 50.709 0.400 . 1 . . . A 196 PRO CD . 18794 1 749 . 1 1 65 65 ASN H H 1 8.207 0.020 . 1 . . . A 197 ASN H . 18794 1 750 . 1 1 65 65 ASN HA H 1 4.393 0.020 . 1 . . . A 197 ASN HA . 18794 1 751 . 1 1 65 65 ASN HB2 H 1 2.545 0.020 . 2 . . . A 197 ASN HB2 . 18794 1 752 . 1 1 65 65 ASN HB3 H 1 2.669 0.020 . 2 . . . A 197 ASN HB3 . 18794 1 753 . 1 1 65 65 ASN HD21 H 1 7.534 0.020 . 2 . . . A 197 ASN HD21 . 18794 1 754 . 1 1 65 65 ASN HD22 H 1 6.767 0.020 . 2 . . . A 197 ASN HD22 . 18794 1 755 . 1 1 65 65 ASN C C 13 179.002 0.400 . 1 . . . A 197 ASN C . 18794 1 756 . 1 1 65 65 ASN CA C 13 54.100 0.400 . 1 . . . A 197 ASN CA . 18794 1 757 . 1 1 65 65 ASN CB C 13 40.537 0.400 . 1 . . . A 197 ASN CB . 18794 1 758 . 1 1 65 65 ASN N N 15 124.154 0.400 . 1 . . . A 197 ASN N . 18794 1 759 . 1 1 65 65 ASN ND2 N 15 112.477 0.400 . 1 . . . A 197 ASN ND2 . 18794 1 stop_ save_