data_30208 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30208 _Entry.Title ; Solution structure of the zinc fingers 3 and 4 of MBNL1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-12-08 _Entry.Accession_date 2016-12-08 _Entry.Last_release_date 2017-02-02 _Entry.Original_release_date 2017-02-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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 P. Phukan P. D. . . 30208 2 S. Park S. . . . 30208 3 M. Martinez-Yamout M. M. . . 30208 4 M. Zeeb M. . . . 30208 5 H. Dyson H. J. . . 30208 6 P. Wright P. E. . . 30208 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Structure from MOLMOL' . 30208 'Zinc fingers RNA-binding' . 30208 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30208 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 220 30208 '15N chemical shifts' 72 30208 '1H chemical shifts' 463 30208 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 . . 2017-11-30 2016-12-08 update BMRB 'update entry citation' 30208 1 . . 2017-07-25 2016-12-08 original author 'original release' 30208 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30207 'Solution structure of the zinc fingers 1 and 2 of MBNL1' 30208 BMRB 30210 ; Solution structure of the zinc fingers 1 and 2 of MBNL1 in complex with human cardiac troponin T pre-mRNA ; 30208 PDB 5U6L 'BMRB Entry Tracking System' 30208 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30208 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acs.biochem.7b00484 _Citation.PubMed_ID 28718627 _Citation.Full_citation . _Citation.Title ; Structural basis for interaction of the tandem zinc finger domains of human muscleblind with cognate RNA from human cardiac troponin T ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 56 _Citation.Journal_issue 32 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _Citation.Journal_CSD 0353 _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 4154 _Citation.Page_last 4168 _Citation.Year 2017 _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 Sangho Park S. . . . 30208 1 2 'Priti Deka' Phukan P. D. . . 30208 1 3 Markus Zeeb M. . . . 30208 1 4 Maria Martinez-Yamout M. A. . . 30208 1 5 'Helen Jane' Dyson H. J. . . 30208 1 6 Peter Wright P. E. . . 30208 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30208 _Assembly.ID 1 _Assembly.Name 'Muscleblind-like protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 entity_1 1 $entity_1 A A yes . . . . . . 30208 1 2 'ZINC ION, 1' 2 $entity_ZN B A no . . . . . . 30208 1 3 'ZINC ION, 2' 2 $entity_ZN C A no . . . . . . 30208 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30208 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Muscleblind-like protein 1' _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 ; AQKLMRTDRLEVCREYQRGN CNRGENDCRFAHPADSTMID TNDNTVTVCMDYIKGRCSRE KCKYFHPPAHLQAKIKAAQY QVN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'Zinc fingers 3 and 4 (UNP residues 173-255)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9672.004 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Triplet-expansion RNA-binding protein' na 30208 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 1 173 ALA . 30208 1 2 174 GLN . 30208 1 3 175 LYS . 30208 1 4 176 LEU . 30208 1 5 177 MET . 30208 1 6 178 ARG . 30208 1 7 179 THR . 30208 1 8 180 ASP . 30208 1 9 181 ARG . 30208 1 10 182 LEU . 30208 1 11 183 GLU . 30208 1 12 184 VAL . 30208 1 13 185 CYS . 30208 1 14 186 ARG . 30208 1 15 187 GLU . 30208 1 16 188 TYR . 30208 1 17 189 GLN . 30208 1 18 190 ARG . 30208 1 19 191 GLY . 30208 1 20 192 ASN . 30208 1 21 193 CYS . 30208 1 22 194 ASN . 30208 1 23 195 ARG . 30208 1 24 196 GLY . 30208 1 25 197 GLU . 30208 1 26 198 ASN . 30208 1 27 199 ASP . 30208 1 28 200 CYS . 30208 1 29 201 ARG . 30208 1 30 202 PHE . 30208 1 31 203 ALA . 30208 1 32 204 HIS . 30208 1 33 205 PRO . 30208 1 34 206 ALA . 30208 1 35 207 ASP . 30208 1 36 208 SER . 30208 1 37 209 THR . 30208 1 38 210 MET . 30208 1 39 211 ILE . 30208 1 40 212 ASP . 30208 1 41 213 THR . 30208 1 42 214 ASN . 30208 1 43 215 ASP . 30208 1 44 216 ASN . 30208 1 45 217 THR . 30208 1 46 218 VAL . 30208 1 47 219 THR . 30208 1 48 220 VAL . 30208 1 49 221 CYS . 30208 1 50 222 MET . 30208 1 51 223 ASP . 30208 1 52 224 TYR . 30208 1 53 225 ILE . 30208 1 54 226 LYS . 30208 1 55 227 GLY . 30208 1 56 228 ARG . 30208 1 57 229 CYS . 30208 1 58 230 SER . 30208 1 59 231 ARG . 30208 1 60 232 GLU . 30208 1 61 233 LYS . 30208 1 62 234 CYS . 30208 1 63 235 LYS . 30208 1 64 236 TYR . 30208 1 65 237 PHE . 30208 1 66 238 HIS . 30208 1 67 239 PRO . 30208 1 68 240 PRO . 30208 1 69 241 ALA . 30208 1 70 242 HIS . 30208 1 71 243 LEU . 30208 1 72 244 GLN . 30208 1 73 245 ALA . 30208 1 74 246 LYS . 30208 1 75 247 ILE . 30208 1 76 248 LYS . 30208 1 77 249 ALA . 30208 1 78 250 ALA . 30208 1 79 251 GLN . 30208 1 80 252 TYR . 30208 1 81 253 GLN . 30208 1 82 254 VAL . 30208 1 83 255 ASN . 30208 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 . ALA 1 1 30208 1 . GLN 2 2 30208 1 . LYS 3 3 30208 1 . LEU 4 4 30208 1 . MET 5 5 30208 1 . ARG 6 6 30208 1 . THR 7 7 30208 1 . ASP 8 8 30208 1 . ARG 9 9 30208 1 . LEU 10 10 30208 1 . GLU 11 11 30208 1 . VAL 12 12 30208 1 . CYS 13 13 30208 1 . ARG 14 14 30208 1 . GLU 15 15 30208 1 . TYR 16 16 30208 1 . GLN 17 17 30208 1 . ARG 18 18 30208 1 . GLY 19 19 30208 1 . ASN 20 20 30208 1 . CYS 21 21 30208 1 . ASN 22 22 30208 1 . ARG 23 23 30208 1 . GLY 24 24 30208 1 . GLU 25 25 30208 1 . ASN 26 26 30208 1 . ASP 27 27 30208 1 . CYS 28 28 30208 1 . ARG 29 29 30208 1 . PHE 30 30 30208 1 . ALA 31 31 30208 1 . HIS 32 32 30208 1 . PRO 33 33 30208 1 . ALA 34 34 30208 1 . ASP 35 35 30208 1 . SER 36 36 30208 1 . THR 37 37 30208 1 . MET 38 38 30208 1 . ILE 39 39 30208 1 . ASP 40 40 30208 1 . THR 41 41 30208 1 . ASN 42 42 30208 1 . ASP 43 43 30208 1 . ASN 44 44 30208 1 . THR 45 45 30208 1 . VAL 46 46 30208 1 . THR 47 47 30208 1 . VAL 48 48 30208 1 . CYS 49 49 30208 1 . MET 50 50 30208 1 . ASP 51 51 30208 1 . TYR 52 52 30208 1 . ILE 53 53 30208 1 . LYS 54 54 30208 1 . GLY 55 55 30208 1 . ARG 56 56 30208 1 . CYS 57 57 30208 1 . SER 58 58 30208 1 . ARG 59 59 30208 1 . GLU 60 60 30208 1 . LYS 61 61 30208 1 . CYS 62 62 30208 1 . LYS 63 63 30208 1 . TYR 64 64 30208 1 . PHE 65 65 30208 1 . HIS 66 66 30208 1 . PRO 67 67 30208 1 . PRO 68 68 30208 1 . ALA 69 69 30208 1 . HIS 70 70 30208 1 . LEU 71 71 30208 1 . GLN 72 72 30208 1 . ALA 73 73 30208 1 . LYS 74 74 30208 1 . ILE 75 75 30208 1 . LYS 76 76 30208 1 . ALA 77 77 30208 1 . ALA 78 78 30208 1 . GLN 79 79 30208 1 . TYR 80 80 30208 1 . GLN 81 81 30208 1 . VAL 82 82 30208 1 . ASN 83 83 30208 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 30208 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 30208 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 30208 2 ZN 'Three letter code' 30208 2 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 1 301 ZN $chem_comp_ZN 30208 2 2 302 ZN $chem_comp_ZN 30208 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 30208 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'MBNL1, EXP, KIAA0428, MBNL' . 30208 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 30208 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30208 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 30208 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 30208 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 30208 ZN [Zn++] SMILES CACTVS 3.341 30208 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 30208 ZN [Zn+2] SMILES ACDLabs 10.04 30208 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 30208 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30208 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 30208 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30208 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 30208 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30208 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 3 and 4 of MBNL1, 90% H2O/10% D2O' _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 'Zinc fingers 3 and 4 of MBNL1' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 30208 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30208 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30208 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30208 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 30208 _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' 50 . mM 30208 1 pH 7.0 . pH 30208 1 pressure 1 . atm 30208 1 temperature 298 . K 30208 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30208 _Software.ID 1 _Software.Type . _Software.Name AMBER _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 30208 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30208 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30208 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30208 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30208 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30208 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30208 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30208 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30208 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30208 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30208 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30208 _Software.ID 5 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30208 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30208 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30208 _Software.ID 6 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30208 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 30208 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30208 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30208 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30208 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 30208 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 30208 1 2 NMR_spectrometer_2 Bruker Avance . 800 . . . 30208 1 3 NMR_spectrometer_3 Bruker Avance . 900 . . . 30208 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 30208 _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 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30208 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30208 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30208 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30208 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30208 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30208 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30208 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30208 1 9 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30208 1 10 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30208 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30208 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30208 _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 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.25144953 . . . . . 30208 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 30208 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.10132912 . . . . . 30208 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30208 _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 $chem_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 '3D HNCA' . . . 30208 1 2 '3D HNCACB' . . . 30208 1 3 '3D CBCA(CO)NH' . . . 30208 1 4 '3D HNCO' . . . 30208 1 5 '2D 1H-15N HSQC' . . . 30208 1 6 '3D 1H-13C NOESY' . . . 30208 1 7 '3D 1H-15N NOESY' . . . 30208 1 8 '3D HCCH-TOCSY' . . . 30208 1 9 '3D HNHB' . . . 30208 1 10 '3D HNHA' . . . 30208 1 11 '2D 1H-13C HSQC' . . . 30208 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.Ambiguity_set_ID _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 ALA HA H 1 4.128 0.01 . 1 . . . . A 173 ALA HA . 30208 1 2 . 1 1 1 1 ALA HB1 H 1 1.549 0.01 . 1 . . . . A 173 ALA HB1 . 30208 1 3 . 1 1 1 1 ALA HB2 H 1 1.549 0.01 . 1 . . . . A 173 ALA HB2 . 30208 1 4 . 1 1 1 1 ALA HB3 H 1 1.549 0.01 . 1 . . . . A 173 ALA HB3 . 30208 1 5 . 1 1 1 1 ALA CA C 13 51.794 0.01 . 1 . . . . A 173 ALA CA . 30208 1 6 . 1 1 1 1 ALA CB C 13 19.582 0.01 . 1 . . . . A 173 ALA CB . 30208 1 7 . 1 1 2 2 GLN HA H 1 4.397 0.01 . 1 . . . . A 174 GLN HA . 30208 1 8 . 1 1 2 2 GLN HB2 H 1 2.108 0.01 . 1 . . . . A 174 GLN HB2 . 30208 1 9 . 1 1 2 2 GLN HG2 H 1 2.323 0.01 . 1 . . . . A 174 GLN HG2 . 30208 1 10 . 1 1 2 2 GLN CA C 13 55.9 0.01 . 1 . . . . A 174 GLN CA . 30208 1 11 . 1 1 2 2 GLN CB C 13 29.698 0.01 . 1 . . . . A 174 GLN CB . 30208 1 12 . 1 1 3 3 LYS H H 1 8.527 0.01 . 1 . . . . A 175 LYS H . 30208 1 13 . 1 1 3 3 LYS HA H 1 4.339 0.01 . 1 . . . . A 175 LYS HA . 30208 1 14 . 1 1 3 3 LYS HB2 H 1 1.831 0.01 . 1 . . . . A 175 LYS HB2 . 30208 1 15 . 1 1 3 3 LYS HB3 H 1 1.775 0.01 . 1 . . . . A 175 LYS HB3 . 30208 1 16 . 1 1 3 3 LYS CA C 13 56.409 0.01 . 1 . . . . A 175 LYS CA . 30208 1 17 . 1 1 3 3 LYS CB C 13 33.329 0.01 . 1 . . . . A 175 LYS CB . 30208 1 18 . 1 1 3 3 LYS N N 15 124.376 0.01 . 1 . . . . A 175 LYS N . 30208 1 19 . 1 1 4 4 LEU H H 1 8.369 0.01 . 1 . . . . A 176 LEU H . 30208 1 20 . 1 1 4 4 LEU HA H 1 4.397 0.01 . 1 . . . . A 176 LEU HA . 30208 1 21 . 1 1 4 4 LEU HB2 H 1 1.645 0.01 . 1 . . . . A 176 LEU HB2 . 30208 1 22 . 1 1 4 4 LEU HB3 H 1 1.589 0.01 . 1 . . . . A 176 LEU HB3 . 30208 1 23 . 1 1 4 4 LEU HD11 H 1 0.943 0.01 . 1 . . . . A 176 LEU HD11 . 30208 1 24 . 1 1 4 4 LEU HD12 H 1 0.943 0.01 . 1 . . . . A 176 LEU HD12 . 30208 1 25 . 1 1 4 4 LEU HD13 H 1 0.943 0.01 . 1 . . . . A 176 LEU HD13 . 30208 1 26 . 1 1 4 4 LEU HD21 H 1 0.889 0.01 . 1 . . . . A 176 LEU HD21 . 30208 1 27 . 1 1 4 4 LEU HD22 H 1 0.889 0.01 . 1 . . . . A 176 LEU HD22 . 30208 1 28 . 1 1 4 4 LEU HD23 H 1 0.889 0.01 . 1 . . . . A 176 LEU HD23 . 30208 1 29 . 1 1 4 4 LEU CA C 13 55.12 0.01 . 1 . . . . A 176 LEU CA . 30208 1 30 . 1 1 4 4 LEU CB C 13 42.642 0.01 . 1 . . . . A 176 LEU CB . 30208 1 31 . 1 1 4 4 LEU CD1 C 13 25.049 0.01 . 1 . . . . A 176 LEU CD1 . 30208 1 32 . 1 1 4 4 LEU CD2 C 13 23.93 0.01 . 1 . . . . A 176 LEU CD2 . 30208 1 33 . 1 1 4 4 LEU N N 15 124.786 0.01 . 1 . . . . A 176 LEU N . 30208 1 34 . 1 1 5 5 MET H H 1 177 0.01 . 1 . . . . A 177 MET H . 30208 1 35 . 1 1 5 5 MET HA H 1 8.468 0.01 . 1 . . . . A 177 MET HA . 30208 1 36 . 1 1 5 5 MET HB2 H 1 4.557 0.01 . 1 . . . . A 177 MET HB2 . 30208 1 37 . 1 1 5 5 MET HB3 H 1 2.09 0.01 . 1 . . . . A 177 MET HB3 . 30208 1 38 . 1 1 5 5 MET HG2 H 1 2.035 0.01 . 1 . . . . A 177 MET HG2 . 30208 1 39 . 1 1 5 5 MET HG3 H 1 2.563 0.01 . 1 . . . . A 177 MET HG3 . 30208 1 40 . 1 1 5 5 MET HE1 H 1 2.108 0.01 . 1 . . . . A 177 MET HE1 . 30208 1 41 . 1 1 5 5 MET HE2 H 1 2.108 0.01 . 1 . . . . A 177 MET HE2 . 30208 1 42 . 1 1 5 5 MET HE3 H 1 2.108 0.01 . 1 . . . . A 177 MET HE3 . 30208 1 43 . 1 1 5 5 MET CA C 13 55.23 0.01 . 1 . . . . A 177 MET CA . 30208 1 44 . 1 1 5 5 MET CB C 13 33.361 0.01 . 1 . . . . A 177 MET CB . 30208 1 45 . 1 1 5 5 MET CG C 13 32.644 0.01 . 1 . . . . A 177 MET CG . 30208 1 46 . 1 1 5 5 MET CE C 13 17.213 0.01 . 1 . . . . A 177 MET CE . 30208 1 47 . 1 1 5 5 MET N N 15 122.839 0.01 . 1 . . . . A 177 MET N . 30208 1 48 . 1 1 6 6 ARG H H 1 178 0.01 . 1 . . . . A 178 ARG H . 30208 1 49 . 1 1 6 6 ARG HA H 1 8.458 0.01 . 1 . . . . A 178 ARG HA . 30208 1 50 . 1 1 6 6 ARG HB2 H 1 4.52 0.01 . 1 . . . . A 178 ARG HB2 . 30208 1 51 . 1 1 6 6 ARG HB3 H 1 1.834 0.01 . 1 . . . . A 178 ARG HB3 . 30208 1 52 . 1 1 6 6 ARG HG2 H 1 2.046 0.01 . 1 . . . . A 178 ARG HG2 . 30208 1 53 . 1 1 6 6 ARG HG3 H 1 1.711 0.01 . 1 . . . . A 178 ARG HG3 . 30208 1 54 . 1 1 6 6 ARG HD2 H 1 3.267 0.01 . 1 . . . . A 178 ARG HD2 . 30208 1 55 . 1 1 6 6 ARG HD3 H 1 3.194 0.01 . 1 . . . . A 178 ARG HD3 . 30208 1 56 . 1 1 6 6 ARG CA C 13 56.117 0.01 . 1 . . . . A 178 ARG CA . 30208 1 57 . 1 1 6 6 ARG CB C 13 31.577 0.01 . 1 . . . . A 178 ARG CB . 30208 1 58 . 1 1 6 6 ARG CG C 13 27.371 0.01 . 1 . . . . A 178 ARG CG . 30208 1 59 . 1 1 6 6 ARG CD C 13 43.572 0.01 . 1 . . . . A 178 ARG CD . 30208 1 60 . 1 1 6 6 ARG N N 15 123.135 0.01 . 1 . . . . A 178 ARG N . 30208 1 61 . 1 1 7 7 THR H H 1 8.413 0.01 . 1 . . . . A 179 THR H . 30208 1 62 . 1 1 7 7 THR HA H 1 4.382 0.01 . 1 . . . . A 179 THR HA . 30208 1 63 . 1 1 7 7 THR HB H 1 4.364 0.01 . 1 . . . . A 179 THR HB . 30208 1 64 . 1 1 7 7 THR HG21 H 1 1.254 0.01 . 1 . . . . A 179 THR HG21 . 30208 1 65 . 1 1 7 7 THR HG22 H 1 1.254 0.01 . 1 . . . . A 179 THR HG22 . 30208 1 66 . 1 1 7 7 THR HG23 H 1 1.254 0.01 . 1 . . . . A 179 THR HG23 . 30208 1 67 . 1 1 7 7 THR CA C 13 62.412 0.01 . 1 . . . . A 179 THR CA . 30208 1 68 . 1 1 7 7 THR CB C 13 69.461 0.01 . 1 . . . . A 179 THR CB . 30208 1 69 . 1 1 7 7 THR CG2 C 13 22.22 0.01 . 1 . . . . A 179 THR CG2 . 30208 1 70 . 1 1 7 7 THR N N 15 113.578 0.01 . 1 . . . . A 179 THR N . 30208 1 71 . 1 1 8 8 ASP H H 1 8.475 0.01 . 1 . . . . A 180 ASP H . 30208 1 72 . 1 1 8 8 ASP HA H 1 4.632 0.01 . 1 . . . . A 180 ASP HA . 30208 1 73 . 1 1 8 8 ASP HB2 H 1 3.021 0.01 . 1 . . . . A 180 ASP HB2 . 30208 1 74 . 1 1 8 8 ASP HB3 H 1 2.585 0.01 . 1 . . . . A 180 ASP HB3 . 30208 1 75 . 1 1 8 8 ASP CA C 13 53.412 0.01 . 1 . . . . A 180 ASP CA . 30208 1 76 . 1 1 8 8 ASP CB C 13 40.775 0.01 . 1 . . . . A 180 ASP CB . 30208 1 77 . 1 1 8 8 ASP N N 15 119.238 0.01 . 1 . . . . A 180 ASP N . 30208 1 78 . 1 1 9 9 ARG H H 1 7.602 0.01 . 1 . . . . A 181 ARG H . 30208 1 79 . 1 1 9 9 ARG HA H 1 5.418 0.01 . 1 . . . . A 181 ARG HA . 30208 1 80 . 1 1 9 9 ARG HB2 H 1 1.751 0.01 . 1 . . . . A 181 ARG HB2 . 30208 1 81 . 1 1 9 9 ARG HB3 H 1 1.677 0.01 . 1 . . . . A 181 ARG HB3 . 30208 1 82 . 1 1 9 9 ARG HG3 H 1 3.244 0.01 . 1 . . . . A 181 ARG HG3 . 30208 1 83 . 1 1 9 9 ARG HD2 H 1 3.102 0.01 . 1 . . . . A 181 ARG HD2 . 30208 1 84 . 1 1 9 9 ARG CA C 13 54.587 0.01 . 1 . . . . A 181 ARG CA . 30208 1 85 . 1 1 9 9 ARG CB C 13 33.9 0.01 . 1 . . . . A 181 ARG CB . 30208 1 86 . 1 1 9 9 ARG CD C 13 43.511 0.01 . 1 . . . . A 181 ARG CD . 30208 1 87 . 1 1 9 9 ARG N N 15 117.577 0.01 . 1 . . . . A 181 ARG N . 30208 1 88 . 1 1 10 10 LEU H H 1 8.479 0.01 . 1 . . . . A 182 LEU H . 30208 1 89 . 1 1 10 10 LEU HA H 1 4.778 0.01 . 1 . . . . A 182 LEU HA . 30208 1 90 . 1 1 10 10 LEU HB2 H 1 1.505 0.01 . 1 . . . . A 182 LEU HB2 . 30208 1 91 . 1 1 10 10 LEU HB3 H 1 1.296 0.01 . 1 . . . . A 182 LEU HB3 . 30208 1 92 . 1 1 10 10 LEU HD11 H 1 1.025 0.01 . 1 . . . . A 182 LEU HD11 . 30208 1 93 . 1 1 10 10 LEU HD12 H 1 1.025 0.01 . 1 . . . . A 182 LEU HD12 . 30208 1 94 . 1 1 10 10 LEU HD13 H 1 1.025 0.01 . 1 . . . . A 182 LEU HD13 . 30208 1 95 . 1 1 10 10 LEU HD21 H 1 1.028 0.01 . 1 . . . . A 182 LEU HD21 . 30208 1 96 . 1 1 10 10 LEU HD22 H 1 1.028 0.01 . 1 . . . . A 182 LEU HD22 . 30208 1 97 . 1 1 10 10 LEU HD23 H 1 1.028 0.01 . 1 . . . . A 182 LEU HD23 . 30208 1 98 . 1 1 10 10 LEU CA C 13 53.174 0.01 . 1 . . . . A 182 LEU CA . 30208 1 99 . 1 1 10 10 LEU CB C 13 46.859 0.01 . 1 . . . . A 182 LEU CB . 30208 1 100 . 1 1 10 10 LEU CD1 C 13 26.606 0.01 . 1 . . . . A 182 LEU CD1 . 30208 1 101 . 1 1 10 10 LEU CD2 C 13 24.81 0.01 . 1 . . . . A 182 LEU CD2 . 30208 1 102 . 1 1 10 10 LEU N N 15 120.895 0.01 . 1 . . . . A 182 LEU N . 30208 1 103 . 1 1 11 11 GLU H H 1 9.025 0.01 . 1 . . . . A 183 GLU H . 30208 1 104 . 1 1 11 11 GLU HA H 1 4.322 0.01 . 1 . . . . A 183 GLU HA . 30208 1 105 . 1 1 11 11 GLU HB2 H 1 2.199 0.01 . 1 . . . . A 183 GLU HB2 . 30208 1 106 . 1 1 11 11 GLU HB3 H 1 2.127 0.01 . 1 . . . . A 183 GLU HB3 . 30208 1 107 . 1 1 11 11 GLU HG2 H 1 2.43 0.01 . 1 . . . . A 183 GLU HG2 . 30208 1 108 . 1 1 11 11 GLU HG3 H 1 2.357 0.01 . 1 . . . . A 183 GLU HG3 . 30208 1 109 . 1 1 11 11 GLU CA C 13 57.571 0.01 . 1 . . . . A 183 GLU CA . 30208 1 110 . 1 1 11 11 GLU CB C 13 31.213 0.01 . 1 . . . . A 183 GLU CB . 30208 1 111 . 1 1 11 11 GLU CG C 13 37.351 0.01 . 1 . . . . A 183 GLU CG . 30208 1 112 . 1 1 11 11 GLU N N 15 123.556 0.01 . 1 . . . . A 183 GLU N . 30208 1 113 . 1 1 12 12 VAL H H 1 8.231 0.01 . 1 . . . . A 184 VAL H . 30208 1 114 . 1 1 12 12 VAL HA H 1 3.904 0.01 . 1 . . . . A 184 VAL HA . 30208 1 115 . 1 1 12 12 VAL HB H 1 1.762 0.01 . 1 . . . . A 184 VAL HB . 30208 1 116 . 1 1 12 12 VAL HG11 H 1 0.697 0.01 . 1 . . . . A 184 VAL HG11 . 30208 1 117 . 1 1 12 12 VAL HG12 H 1 0.697 0.01 . 1 . . . . A 184 VAL HG12 . 30208 1 118 . 1 1 12 12 VAL HG13 H 1 0.697 0.01 . 1 . . . . A 184 VAL HG13 . 30208 1 119 . 1 1 12 12 VAL HG21 H 1 0.839 0.01 . 1 . . . . A 184 VAL HG21 . 30208 1 120 . 1 1 12 12 VAL HG22 H 1 0.839 0.01 . 1 . . . . A 184 VAL HG22 . 30208 1 121 . 1 1 12 12 VAL HG23 H 1 0.839 0.01 . 1 . . . . A 184 VAL HG23 . 30208 1 122 . 1 1 12 12 VAL CA C 13 62.608 0.01 . 1 . . . . A 184 VAL CA . 30208 1 123 . 1 1 12 12 VAL CB C 13 31.962 0.01 . 1 . . . . A 184 VAL CB . 30208 1 124 . 1 1 12 12 VAL CG1 C 13 25.021 0.01 . 1 . . . . A 184 VAL CG1 . 30208 1 125 . 1 1 12 12 VAL CG2 C 13 21.51 0.01 . 1 . . . . A 184 VAL CG2 . 30208 1 126 . 1 1 12 12 VAL N N 15 124.286 0.01 . 1 . . . . A 184 VAL N . 30208 1 127 . 1 1 13 13 CYS H H 1 8.941 0.01 . 1 . . . . A 185 CYS H . 30208 1 128 . 1 1 13 13 CYS HA H 1 3.806 0.01 . 1 . . . . A 185 CYS HA . 30208 1 129 . 1 1 13 13 CYS HB2 H 1 3.039 0.01 . 1 . . . . A 185 CYS HB2 . 30208 1 130 . 1 1 13 13 CYS CA C 13 60.332 0.01 . 1 . . . . A 185 CYS CA . 30208 1 131 . 1 1 13 13 CYS CB C 13 30.952 0.01 . 1 . . . . A 185 CYS CB . 30208 1 132 . 1 1 13 13 CYS N N 15 128.875 0.01 . 1 . . . . A 185 CYS N . 30208 1 133 . 1 1 14 14 ARG H H 1 8.62 0.01 . 1 . . . . A 186 ARG H . 30208 1 134 . 1 1 14 14 ARG HA H 1 4.424 0.01 . 1 . . . . A 186 ARG HA . 30208 1 135 . 1 1 14 14 ARG HB2 H 1 1.752 0.01 . 1 . . . . A 186 ARG HB2 . 30208 1 136 . 1 1 14 14 ARG HB3 H 1 1.602 0.01 . 1 . . . . A 186 ARG HB3 . 30208 1 137 . 1 1 14 14 ARG HD2 H 1 3.151 0.01 . 1 . . . . A 186 ARG HD2 . 30208 1 138 . 1 1 14 14 ARG HD3 H 1 3.194 0.01 . 1 . . . . A 186 ARG HD3 . 30208 1 139 . 1 1 14 14 ARG CA C 13 58.763 0.01 . 1 . . . . A 186 ARG CA . 30208 1 140 . 1 1 14 14 ARG CB C 13 29.912 0.01 . 1 . . . . A 186 ARG CB . 30208 1 141 . 1 1 14 14 ARG CG C 13 28.084 0.01 . 1 . . . . A 186 ARG CG . 30208 1 142 . 1 1 14 14 ARG CD C 13 43.117 0.01 . 1 . . . . A 186 ARG CD . 30208 1 143 . 1 1 14 14 ARG N N 15 133.137 0.01 . 1 . . . . A 186 ARG N . 30208 1 144 . 1 1 15 15 GLU H H 1 7.974 0.01 . 1 . . . . A 187 GLU H . 30208 1 145 . 1 1 15 15 GLU HA H 1 4.199 0.01 . 1 . . . . A 187 GLU HA . 30208 1 146 . 1 1 15 15 GLU HB2 H 1 1.916 0.01 . 1 . . . . A 187 GLU HB2 . 30208 1 147 . 1 1 15 15 GLU HB3 H 1 1.975 0.01 . 1 . . . . A 187 GLU HB3 . 30208 1 148 . 1 1 15 15 GLU HG2 H 1 2.429 0.01 . 1 . . . . A 187 GLU HG2 . 30208 1 149 . 1 1 15 15 GLU HG3 H 1 2.373 0.01 . 1 . . . . A 187 GLU HG3 . 30208 1 150 . 1 1 15 15 GLU CA C 13 59.528 0.01 . 1 . . . . A 187 GLU CA . 30208 1 151 . 1 1 15 15 GLU CB C 13 28.729 0.01 . 1 . . . . A 187 GLU CB . 30208 1 152 . 1 1 15 15 GLU CG C 13 36.791 0.01 . 1 . . . . A 187 GLU CG . 30208 1 153 . 1 1 15 15 GLU N N 15 119.559 0.01 . 1 . . . . A 187 GLU N . 30208 1 154 . 1 1 16 16 TYR H H 1 9.593 0.01 . 1 . . . . A 188 TYR H . 30208 1 155 . 1 1 16 16 TYR HA H 1 4.082 0.01 . 1 . . . . A 188 TYR HA . 30208 1 156 . 1 1 16 16 TYR HB2 H 1 2.998 0.01 . 1 . . . . A 188 TYR HB2 . 30208 1 157 . 1 1 16 16 TYR HB3 H 1 2.472 0.01 . 1 . . . . A 188 TYR HB3 . 30208 1 158 . 1 1 16 16 TYR HD1 H 1 6.65 0.01 . 1 . . . . A 188 TYR HD1 . 30208 1 159 . 1 1 16 16 TYR HE1 H 1 6.791 0.01 . 1 . . . . A 188 TYR HE1 . 30208 1 160 . 1 1 16 16 TYR CA C 13 60.479 0.01 . 1 . . . . A 188 TYR CA . 30208 1 161 . 1 1 16 16 TYR CB C 13 37.612 0.01 . 1 . . . . A 188 TYR CB . 30208 1 162 . 1 1 16 16 TYR N N 15 128.821 0.01 . 1 . . . . A 188 TYR N . 30208 1 163 . 1 1 17 17 GLN H H 1 7.728 0.01 . 1 . . . . A 189 GLN H . 30208 1 164 . 1 1 17 17 GLN HA H 1 3.747 0.01 . 1 . . . . A 189 GLN HA . 30208 1 165 . 1 1 17 17 GLN HB2 H 1 2.243 0.01 . 1 . . . . A 189 GLN HB2 . 30208 1 166 . 1 1 17 17 GLN HB3 H 1 2.044 0.01 . 1 . . . . A 189 GLN HB3 . 30208 1 167 . 1 1 17 17 GLN HG2 H 1 2.549 0.01 . 1 . . . . A 189 GLN HG2 . 30208 1 168 . 1 1 17 17 GLN HG3 H 1 2.24 0.01 . 1 . . . . A 189 GLN HG3 . 30208 1 169 . 1 1 17 17 GLN CA C 13 58.932 0.01 . 1 . . . . A 189 GLN CA . 30208 1 170 . 1 1 17 17 GLN CB C 13 29.772 0.01 . 1 . . . . A 189 GLN CB . 30208 1 171 . 1 1 17 17 GLN CG C 13 35.752 0.01 . 1 . . . . A 189 GLN CG . 30208 1 172 . 1 1 17 17 GLN N N 15 118.755 0.01 . . . . . . A 189 GLN N . 30208 1 173 . 1 1 18 18 ARG H H 1 7.292 0.01 . . . . . . A 190 ARG H . 30208 1 174 . 1 1 18 18 ARG HA H 1 4.426 0.01 . . . . . . A 190 ARG HA . 30208 1 175 . 1 1 18 18 ARG HB2 H 1 1.97 0.01 . . . . . . A 190 ARG HB2 . 30208 1 176 . 1 1 18 18 ARG HB3 H 1 1.872 0.01 . 1 . . . . A 190 ARG HB3 . 30208 1 177 . 1 1 18 18 ARG HG2 H 1 1.657 0.01 . . . . . . A 190 ARG HG2 . 30208 1 178 . 1 1 18 18 ARG HD2 H 1 3.153 0.01 . . . . . . A 190 ARG HD2 . 30208 1 179 . 1 1 18 18 ARG CA C 13 55.569 0.01 . 1 . . . . A 190 ARG CA . 30208 1 180 . 1 1 18 18 ARG CB C 13 30.829 0.01 . . . . . . A 190 ARG CB . 30208 1 181 . 1 1 18 18 ARG CG C 13 27.461 0.01 . . . . . . A 190 ARG CG . 30208 1 182 . 1 1 18 18 ARG CD C 13 43.707 0.01 . . . . . . A 190 ARG CD . 30208 1 183 . 1 1 18 18 ARG N N 15 116.366 0.01 . . . . . . A 190 ARG N . 30208 1 184 . 1 1 19 19 GLY H H 1 7.689 0.01 . . . . . . A 191 GLY H . 30208 1 185 . 1 1 19 19 GLY HA2 H 1 3.771 0.01 . 1 . . . . A 191 GLY HA2 . 30208 1 186 . 1 1 19 19 GLY HA3 H 1 4.038 0.01 . . . . . . A 191 GLY HA3 . 30208 1 187 . 1 1 19 19 GLY CA C 13 46.115 0.01 . 1 . . . . A 191 GLY CA . 30208 1 188 . 1 1 19 19 GLY N N 15 108.062 0.01 . 1 . . . . A 191 GLY N . 30208 1 189 . 1 1 20 20 ASN H H 1 8.199 0.01 . 1 . . . . A 192 ASN H . 30208 1 190 . 1 1 20 20 ASN HA H 1 4.961 0.01 . 1 . . . . A 192 ASN HA . 30208 1 191 . 1 1 20 20 ASN HB2 H 1 2.825 0.01 . 1 . . . . A 192 ASN HB2 . 30208 1 192 . 1 1 20 20 ASN HB3 H 1 2.451 0.01 . 1 . . . . A 192 ASN HB3 . 30208 1 193 . 1 1 20 20 ASN CA C 13 52.755 0.01 . 1 . . . . A 192 ASN CA . 30208 1 194 . 1 1 20 20 ASN CB C 13 40.961 0.01 . 1 . . . . A 192 ASN CB . 30208 1 195 . 1 1 20 20 ASN N N 15 117.328 0.01 . 1 . . . . A 192 ASN N . 30208 1 196 . 1 1 21 21 CYS H H 1 8.352 0.01 . . . . . . A 193 CYS H . 30208 1 197 . 1 1 21 21 CYS HA H 1 4.478 0.01 . . . . . . A 193 CYS HA . 30208 1 198 . 1 1 21 21 CYS HB2 H 1 3.021 0.01 . 1 . . . . A 193 CYS HB2 . 30208 1 199 . 1 1 21 21 CYS HB3 H 1 2.67 0.01 . . . . . . A 193 CYS HB3 . 30208 1 200 . 1 1 21 21 CYS CA C 13 60.208 0.01 . . . . . . A 193 CYS CA . 30208 1 201 . 1 1 21 21 CYS CB C 13 29.788 0.01 . . . . . . A 193 CYS CB . 30208 1 202 . 1 1 21 21 CYS N N 15 124.139 0.01 . 1 . . . . A 193 CYS N . 30208 1 203 . 1 1 22 22 ASN H H 1 8.941 0.01 . 1 . . . . A 194 ASN H . 30208 1 204 . 1 1 22 22 ASN HA H 1 4.879 0.01 . . . . . . A 194 ASN HA . 30208 1 205 . 1 1 22 22 ASN HB2 H 1 2.911 0.01 . 1 . . . . A 194 ASN HB2 . 30208 1 206 . 1 1 22 22 ASN CA C 13 53.778 0.01 . 1 . . . . A 194 ASN CA . 30208 1 207 . 1 1 22 22 ASN CB C 13 38.683 0.01 . 1 . . . . A 194 ASN CB . 30208 1 208 . 1 1 22 22 ASN N N 15 128.439 0.01 . 1 . . . . A 194 ASN N . 30208 1 209 . 1 1 23 23 ARG H H 1 8.542 0.01 . 1 . . . . A 195 ARG H . 30208 1 210 . 1 1 23 23 ARG HA H 1 4.435 0.01 . 1 . . . . A 195 ARG HA . 30208 1 211 . 1 1 23 23 ARG HB2 H 1 1.886 0.01 . 1 . . . . A 195 ARG HB2 . 30208 1 212 . 1 1 23 23 ARG HG2 H 1 1.737 0.01 . 1 . . . . A 195 ARG HG2 . 30208 1 213 . 1 1 23 23 ARG HD2 H 1 3.3 0.01 . 1 . . . . A 195 ARG HD2 . 30208 1 214 . 1 1 23 23 ARG HD3 H 1 3.334 0.01 . 1 . . . . A 195 ARG HD3 . 30208 1 215 . 1 1 23 23 ARG CA C 13 56.955 0.01 . 1 . . . . A 195 ARG CA . 30208 1 216 . 1 1 23 23 ARG CB C 13 31.649 0.01 . 1 . . . . A 195 ARG CB . 30208 1 217 . 1 1 23 23 ARG CG C 13 28.084 0.01 . 1 . . . . A 195 ARG CG . 30208 1 218 . 1 1 23 23 ARG CD C 13 43.366 0.01 . 1 . . . . A 195 ARG CD . 30208 1 219 . 1 1 23 23 ARG N N 15 121.335 0.01 . 1 . . . . A 195 ARG N . 30208 1 220 . 1 1 24 24 GLY H H 1 8.288 0.01 . 1 . . . . A 196 GLY H . 30208 1 221 . 1 1 24 24 GLY HA2 H 1 4.024 0.01 . 1 . . . . A 196 GLY HA2 . 30208 1 222 . 1 1 24 24 GLY HA3 H 1 4.138 0.01 . 1 . . . . A 196 GLY HA3 . 30208 1 223 . 1 1 24 24 GLY CA C 13 44.581 0.01 . 1 . . . . A 196 GLY CA . 30208 1 224 . 1 1 24 24 GLY N N 15 107.598 0.01 . 1 . . . . A 196 GLY N . 30208 1 225 . 1 1 25 25 GLU H H 1 8.712 0.01 . 1 . . . . A 197 GLU H . 30208 1 226 . 1 1 25 25 GLU HA H 1 3.595 0.01 . 1 . . . . A 197 GLU HA . 30208 1 227 . 1 1 25 25 GLU HB2 H 1 2.069 0.01 . 1 . . . . A 197 GLU HB2 . 30208 1 228 . 1 1 25 25 GLU HB3 H 1 2.038 0.01 . 1 . . . . A 197 GLU HB3 . 30208 1 229 . 1 1 25 25 GLU HG2 H 1 2.273 0.01 . 1 . . . . A 197 GLU HG2 . 30208 1 230 . 1 1 25 25 GLU HG3 H 1 2.242 0.01 . 1 . . . . A 197 GLU HG3 . 30208 1 231 . 1 1 25 25 GLU CA C 13 58.742 0.01 . 1 . . . . A 197 GLU CA . 30208 1 232 . 1 1 25 25 GLU CB C 13 29.673 0.01 . 1 . . . . A 197 GLU CB . 30208 1 233 . 1 1 25 25 GLU CG C 13 35.955 0.01 . . . . . . A 197 GLU CG . 30208 1 234 . 1 1 25 25 GLU N N 15 120.022 0.01 . . . . . . A 197 GLU N . 30208 1 235 . 1 1 26 26 ASN H H 1 8.302 0.01 . . . . . . A 198 ASN H . 30208 1 236 . 1 1 26 26 ASN HA H 1 4.504 0.01 . 1 . . . . A 198 ASN HA . 30208 1 237 . 1 1 26 26 ASN HB2 H 1 2.649 0.01 . 1 . . . . A 198 ASN HB2 . 30208 1 238 . 1 1 26 26 ASN HB3 H 1 2.755 0.01 . . . . . . A 198 ASN HB3 . 30208 1 239 . 1 1 26 26 ASN CA C 13 54.704 0.01 . 1 . . . . A 198 ASN CA . 30208 1 240 . 1 1 26 26 ASN CB C 13 38.562 0.01 . . . . . . A 198 ASN CB . 30208 1 241 . 1 1 26 26 ASN N N 15 113.632 0.01 . 1 . . . . A 198 ASN N . 30208 1 242 . 1 1 27 27 ASP H H 1 7.279 0.01 . 1 . . . . A 199 ASP H . 30208 1 243 . 1 1 27 27 ASP HA H 1 4.443 0.01 . 1 . . . . A 199 ASP HA . 30208 1 244 . 1 1 27 27 ASP HB2 H 1 2.401 0.01 . 1 . . . . A 199 ASP HB2 . 30208 1 245 . 1 1 27 27 ASP HB3 H 1 2.568 0.01 . . . . . . A 199 ASP HB3 . 30208 1 246 . 1 1 27 27 ASP CA C 13 53.899 0.01 . 1 . . . . A 199 ASP CA . 30208 1 247 . 1 1 27 27 ASP CB C 13 43.375 0.01 . . . . . . A 199 ASP CB . 30208 1 248 . 1 1 27 27 ASP N N 15 115.756 0.01 . 1 . . . . A 199 ASP N . 30208 1 249 . 1 1 28 28 CYS H H 1 7.617 0.01 . 1 . . . . A 200 CYS H . 30208 1 250 . 1 1 28 28 CYS HA H 1 4.184 0.01 . . . . . . A 200 CYS HA . 30208 1 251 . 1 1 28 28 CYS HB2 H 1 2.621 0.01 . 1 . . . . A 200 CYS HB2 . 30208 1 252 . 1 1 28 28 CYS CA C 13 61.355 0.01 . 1 . . . . A 200 CYS CA . 30208 1 253 . 1 1 28 28 CYS CB C 13 29.588 0.01 . 1 . . . . A 200 CYS CB . 30208 1 254 . 1 1 28 28 CYS N N 15 123.674 0.01 . 1 . . . . A 200 CYS N . 30208 1 255 . 1 1 29 29 ARG H H 1 8.128 0.01 . 1 . . . . A 201 ARG H . 30208 1 256 . 1 1 29 29 ARG HA H 1 4.179 0.01 . 1 . . . . A 201 ARG HA . 30208 1 257 . 1 1 29 29 ARG HB2 H 1 1.521 0.01 . 1 . . . . A 201 ARG HB2 . 30208 1 258 . 1 1 29 29 ARG HB3 H 1 1.384 0.01 . 1 . . . . A 201 ARG HB3 . 30208 1 259 . 1 1 29 29 ARG HG2 H 1 0.971 0.01 . 1 . . . . A 201 ARG HG2 . 30208 1 260 . 1 1 29 29 ARG HD2 H 1 3.027 0.01 . 1 . . . . A 201 ARG HD2 . 30208 1 261 . 1 1 29 29 ARG HD3 H 1 3.006 0.01 . 1 . . . . A 201 ARG HD3 . 30208 1 262 . 1 1 29 29 ARG CA C 13 57 0.01 . 1 . . . . A 201 ARG CA . 30208 1 263 . 1 1 29 29 ARG CB C 13 29.943 0.01 . 1 . . . . A 201 ARG CB . 30208 1 264 . 1 1 29 29 ARG CG C 13 26.663 0.01 . 1 . . . . A 201 ARG CG . 30208 1 265 . 1 1 29 29 ARG CD C 13 43.517 0.01 . 1 . . . . A 201 ARG CD . 30208 1 266 . 1 1 29 29 ARG N N 15 125.632 0.01 . 1 . . . . A 201 ARG N . 30208 1 267 . 1 1 30 30 PHE H H 1 8.65 0.01 . 1 . . . . A 202 PHE H . 30208 1 268 . 1 1 30 30 PHE HA H 1 4.951 0.01 . 1 . . . . A 202 PHE HA . 30208 1 269 . 1 1 30 30 PHE HB2 H 1 3.294 0.01 . 1 . . . . A 202 PHE HB2 . 30208 1 270 . 1 1 30 30 PHE HB3 H 1 2.97 0.01 . 1 . . . . A 202 PHE HB3 . 30208 1 271 . 1 1 30 30 PHE HD1 H 1 7.448 0.01 . 1 . . . . A 202 PHE HD1 . 30208 1 272 . 1 1 30 30 PHE HE1 H 1 7.776 0.01 . 1 . . . . A 202 PHE HE1 . 30208 1 273 . 1 1 30 30 PHE HZ H 1 7.387 0.01 . 1 . . . . A 202 PHE HZ . 30208 1 274 . 1 1 30 30 PHE CA C 13 55.844 0.01 . 1 . . . . A 202 PHE CA . 30208 1 275 . 1 1 30 30 PHE N N 15 120.792 0.01 . 1 . . . . A 202 PHE N . 30208 1 276 . 1 1 31 31 ALA H H 1 8.571 0.01 . 1 . . . . A 203 ALA H . 30208 1 277 . 1 1 31 31 ALA HA H 1 4.082 0.01 . 1 . . . . A 203 ALA HA . 30208 1 278 . 1 1 31 31 ALA HB1 H 1 0.679 0.01 . 1 . . . . A 203 ALA HB1 . 30208 1 279 . 1 1 31 31 ALA HB2 H 1 0.679 0.01 . 1 . . . . A 203 ALA HB2 . 30208 1 280 . 1 1 31 31 ALA HB3 H 1 0.679 0.01 . 1 . . . . A 203 ALA HB3 . 30208 1 281 . 1 1 31 31 ALA CA C 13 52.648 0.01 . 1 . . . . A 203 ALA CA . 30208 1 282 . 1 1 31 31 ALA CB C 13 20.835 0.01 . 1 . . . . A 203 ALA CB . 30208 1 283 . 1 1 31 31 ALA N N 15 118.709 0.01 . 1 . . . . A 203 ALA N . 30208 1 284 . 1 1 32 32 HIS H H 1 9.861 0.01 . 1 . . . . A 204 HIS H . 30208 1 285 . 1 1 32 32 HIS HA H 1 4.414 0.01 . 1 . . . . A 204 HIS HA . 30208 1 286 . 1 1 32 32 HIS HB2 H 1 3.022 0.01 . 1 . . . . A 204 HIS HB2 . 30208 1 287 . 1 1 32 32 HIS HB3 H 1 1.901 0.01 . 1 . . . . A 204 HIS HB3 . 30208 1 288 . 1 1 32 32 HIS HD2 H 1 6.621 0.01 . 1 . . . . A 204 HIS HD2 . 30208 1 289 . 1 1 32 32 HIS HE1 H 1 8.145 0.01 . 1 . . . . A 204 HIS HE1 . 30208 1 290 . 1 1 32 32 HIS CA C 13 52.062 0.01 . 1 . . . . A 204 HIS CA . 30208 1 291 . 1 1 32 32 HIS CB C 13 28.237 0.01 . 1 . . . . A 204 HIS CB . 30208 1 292 . 1 1 32 32 HIS N N 15 122.944 0.01 . 1 . . . . A 204 HIS N . 30208 1 293 . 1 1 33 33 PRO HA H 1 4.689 0.01 . 1 . . . . A 205 PRO HA . 30208 1 294 . 1 1 33 33 PRO HB2 H 1 2.583 0.01 . 1 . . . . A 205 PRO HB2 . 30208 1 295 . 1 1 33 33 PRO HB3 H 1 1.871 0.01 . 1 . . . . A 205 PRO HB3 . 30208 1 296 . 1 1 33 33 PRO HG2 H 1 2.362 0.01 . 1 . . . . A 205 PRO HG2 . 30208 1 297 . 1 1 33 33 PRO HG3 H 1 2.244 0.01 . 1 . . . . A 205 PRO HG3 . 30208 1 298 . 1 1 33 33 PRO HD2 H 1 3.852 0.01 . 1 . . . . A 205 PRO HD2 . 30208 1 299 . 1 1 33 33 PRO HD3 H 1 3.487 0.01 . 1 . . . . A 205 PRO HD3 . 30208 1 300 . 1 1 33 33 PRO CA C 13 62.352 0.01 . 1 . . . . A 205 PRO CA . 30208 1 301 . 1 1 33 33 PRO CB C 13 32.799 0.01 . 1 . . . . A 205 PRO CB . 30208 1 302 . 1 1 33 33 PRO CG C 13 28.118 0.01 . 1 . . . . A 205 PRO CG . 30208 1 303 . 1 1 33 33 PRO CD C 13 51.548 0.01 . 1 . . . . A 205 PRO CD . 30208 1 304 . 1 1 34 34 ALA H H 1 9.07 0.01 . 1 . . . . A 206 ALA H . 30208 1 305 . 1 1 34 34 ALA HA H 1 3.983 0.01 . 1 . . . . A 206 ALA HA . 30208 1 306 . 1 1 34 34 ALA HB1 H 1 1.569 0.01 . 1 . . . . A 206 ALA HB1 . 30208 1 307 . 1 1 34 34 ALA HB2 H 1 1.569 0.01 . 1 . . . . A 206 ALA HB2 . 30208 1 308 . 1 1 34 34 ALA HB3 H 1 1.569 0.01 . 1 . . . . A 206 ALA HB3 . 30208 1 309 . 1 1 34 34 ALA CA C 13 56.572 0.01 . 1 . . . . A 206 ALA CA . 30208 1 310 . 1 1 34 34 ALA CB C 13 18.857 0.01 . 1 . . . . A 206 ALA CB . 30208 1 311 . 1 1 34 34 ALA N N 15 124.64 0.01 . 1 . . . . A 206 ALA N . 30208 1 312 . 1 1 35 35 ASP HA H 1 4.575 0.01 . 1 . . . . A 207 ASP HA . 30208 1 313 . 1 1 35 35 ASP HB2 H 1 3.14 0.01 . 1 . . . . A 207 ASP HB2 . 30208 1 314 . 1 1 35 35 ASP HB3 H 1 2.987 0.01 . 1 . . . . A 207 ASP HB3 . 30208 1 315 . 1 1 35 35 ASP CA C 13 58.005 0.01 . 1 . . . . A 207 ASP CA . 30208 1 316 . 1 1 35 35 ASP CB C 13 38.482 0.01 . 1 . . . . A 207 ASP CB . 30208 1 317 . 1 1 36 36 SER HA H 1 4.13 0.01 . 1 . . . . A 208 SER HA . 30208 1 318 . 1 1 36 36 SER HB2 H 1 3.987 0.01 . 1 . . . . A 208 SER HB2 . 30208 1 319 . 1 1 36 36 SER HB3 H 1 3.894 0.01 . 1 . . . . A 208 SER HB3 . 30208 1 320 . 1 1 36 36 SER CA C 13 59.167 0.01 . 1 . . . . A 208 SER CA . 30208 1 321 . 1 1 36 36 SER CB C 13 63.22 0.01 . 1 . . . . A 208 SER CB . 30208 1 322 . 1 1 37 37 THR HA H 1 4.16 0.01 . 1 . . . . A 209 THR HA . 30208 1 323 . 1 1 37 37 THR HB H 1 4.187 0.01 . 1 . . . . A 209 THR HB . 30208 1 324 . 1 1 37 37 THR HG21 H 1 1.309 0.01 . 1 . . . . A 209 THR HG21 . 30208 1 325 . 1 1 37 37 THR HG22 H 1 1.309 0.01 . 1 . . . . A 209 THR HG22 . 30208 1 326 . 1 1 37 37 THR HG23 H 1 1.309 0.01 . 1 . . . . A 209 THR HG23 . 30208 1 327 . 1 1 37 37 THR CA C 13 64.141 0.01 . 1 . . . . A 209 THR CA . 30208 1 328 . 1 1 37 37 THR CB C 13 68.95 0.01 . 1 . . . . A 209 THR CB . 30208 1 329 . 1 1 37 37 THR CG2 C 13 22.517 0.01 . 1 . . . . A 209 THR CG2 . 30208 1 330 . 1 1 38 38 MET HE1 H 1 2.089 0.01 . 1 . . . . A 210 MET HE1 . 30208 1 331 . 1 1 38 38 MET HE2 H 1 2.089 0.01 . 1 . . . . A 210 MET HE2 . 30208 1 332 . 1 1 38 38 MET HE3 H 1 2.089 0.01 . 1 . . . . A 210 MET HE3 . 30208 1 333 . 1 1 38 38 MET CE C 13 17.472 0.01 . 1 . . . . A 210 MET CE . 30208 1 334 . 1 1 39 39 ILE HA H 1 4.136 0.01 . 1 . . . . A 211 ILE HA . 30208 1 335 . 1 1 39 39 ILE HB H 1 1.813 0.01 . 1 . . . . A 211 ILE HB . 30208 1 336 . 1 1 39 39 ILE HG12 H 1 0.601 0.01 . 1 . . . . A 211 ILE HG12 . 30208 1 337 . 1 1 39 39 ILE HG21 H 1 0.876 0.01 . 1 . . . . A 211 ILE HG21 . 30208 1 338 . 1 1 39 39 ILE HG22 H 1 0.876 0.01 . 1 . . . . A 211 ILE HG22 . 30208 1 339 . 1 1 39 39 ILE HG23 H 1 0.876 0.01 . 1 . . . . A 211 ILE HG23 . 30208 1 340 . 1 1 39 39 ILE HD11 H 1 0.691 0.01 . 1 . . . . A 211 ILE HD11 . 30208 1 341 . 1 1 39 39 ILE HD12 H 1 0.691 0.01 . 1 . . . . A 211 ILE HD12 . 30208 1 342 . 1 1 39 39 ILE HD13 H 1 0.691 0.01 . 1 . . . . A 211 ILE HD13 . 30208 1 343 . 1 1 39 39 ILE CA C 13 60.184 0.01 . 1 . . . . A 211 ILE CA . 30208 1 344 . 1 1 39 39 ILE CB C 13 39.851 0.01 . 1 . . . . A 211 ILE CB . 30208 1 345 . 1 1 39 39 ILE CG1 C 13 28.018 0.01 . 1 . . . . A 211 ILE CG1 . 30208 1 346 . 1 1 39 39 ILE CG2 C 13 14.329 0.01 . 1 . . . . A 211 ILE CG2 . 30208 1 347 . 1 1 39 39 ILE CD1 C 13 16.643 0.01 . 1 . . . . A 211 ILE CD1 . 30208 1 348 . 1 1 39 39 ILE N N 15 9.27 0.01 . 1 . . . . A 211 ILE N . 30208 1 349 . 1 1 40 40 ASP H H 1 4.789 0.01 . 1 . . . . A 212 ASP H . 30208 1 350 . 1 1 40 40 ASP HA H 1 3.283 0.01 . 1 . . . . A 212 ASP HA . 30208 1 351 . 1 1 40 40 ASP HB2 H 1 2.591 0.01 . 1 . . . . A 212 ASP HB2 . 30208 1 352 . 1 1 40 40 ASP CA C 13 53.494 0.01 . 1 . . . . A 212 ASP CA . 30208 1 353 . 1 1 40 40 ASP CB C 13 41.173 0.01 . 1 . . . . A 212 ASP CB . 30208 1 354 . 1 1 40 40 ASP N N 15 128.946 0.01 . 1 . . . . A 212 ASP N . 30208 1 355 . 1 1 41 41 THR H H 1 8.523 0.01 . 1 . . . . A 213 THR H . 30208 1 356 . 1 1 41 41 THR HA H 1 4.206 0.01 . 1 . . . . A 213 THR HA . 30208 1 357 . 1 1 41 41 THR HB H 1 4.45 0.01 . 1 . . . . A 213 THR HB . 30208 1 358 . 1 1 41 41 THR HG21 H 1 1.314 0.01 . 1 . . . . A 213 THR HG21 . 30208 1 359 . 1 1 41 41 THR HG22 H 1 1.314 0.01 . 1 . . . . A 213 THR HG22 . 30208 1 360 . 1 1 41 41 THR HG23 H 1 1.314 0.01 . 1 . . . . A 213 THR HG23 . 30208 1 361 . 1 1 41 41 THR CA C 13 63.46 0.01 . 1 . . . . A 213 THR CA . 30208 1 362 . 1 1 41 41 THR CB C 13 68.784 0.01 . 1 . . . . A 213 THR CB . 30208 1 363 . 1 1 41 41 THR CG2 C 13 22.015 0.01 . 1 . . . . A 213 THR CG2 . 30208 1 364 . 1 1 41 41 THR N N 15 118.376 0.01 . 1 . . . . A 213 THR N . 30208 1 365 . 1 1 42 42 ASN H H 1 9.062 0.01 . 1 . . . . A 214 ASN H . 30208 1 366 . 1 1 42 42 ASN HA H 1 4.566 0.01 . 1 . . . . A 214 ASN HA . 30208 1 367 . 1 1 42 42 ASN HB2 H 1 2.934 0.01 . 1 . . . . A 214 ASN HB2 . 30208 1 368 . 1 1 42 42 ASN HB3 H 1 2.707 0.01 . 1 . . . . A 214 ASN HB3 . 30208 1 369 . 1 1 42 42 ASN CA C 13 56.222 0.01 . 1 . . . . A 214 ASN CA . 30208 1 370 . 1 1 42 42 ASN CB C 13 38.687 0.01 . 1 . . . . A 214 ASN CB . 30208 1 371 . 1 1 42 42 ASN N N 15 121.504 0.01 . 1 . . . . A 214 ASN N . 30208 1 372 . 1 1 43 43 ASP H H 1 7.399 0.01 . 1 . . . . A 215 ASP H . 30208 1 373 . 1 1 43 43 ASP HA H 1 4.639 0.01 . 1 . . . . A 215 ASP HA . 30208 1 374 . 1 1 43 43 ASP HB2 H 1 2.873 0.01 . 1 . . . . A 215 ASP HB2 . 30208 1 375 . 1 1 43 43 ASP HB3 H 1 2.435 0.01 . 1 . . . . A 215 ASP HB3 . 30208 1 376 . 1 1 43 43 ASP CA C 13 52.957 0.01 . 1 . . . . A 215 ASP CA . 30208 1 377 . 1 1 43 43 ASP CB C 13 41.569 0.01 . 1 . . . . A 215 ASP CB . 30208 1 378 . 1 1 43 43 ASP N N 15 115.517 0.01 . 1 . . . . A 215 ASP N . 30208 1 379 . 1 1 44 44 ASN H H 1 8.618 0.01 . 1 . . . . A 216 ASN H . 30208 1 380 . 1 1 44 44 ASN HA H 1 4.306 0.01 . 1 . . . . A 216 ASN HA . 30208 1 381 . 1 1 44 44 ASN HB2 H 1 3.363 0.01 . 1 . . . . A 216 ASN HB2 . 30208 1 382 . 1 1 44 44 ASN HB3 H 1 2.407 0.01 . 1 . . . . A 216 ASN HB3 . 30208 1 383 . 1 1 44 44 ASN CA C 13 54.439 0.01 . 1 . . . . A 216 ASN CA . 30208 1 384 . 1 1 44 44 ASN CB C 13 39.111 0.01 . 1 . . . . A 216 ASN CB . 30208 1 385 . 1 1 44 44 ASN N N 15 120.087 0.01 . 1 . . . . A 216 ASN N . 30208 1 386 . 1 1 45 45 THR H H 1 7.486 0.01 . 1 . . . . A 217 THR H . 30208 1 387 . 1 1 45 45 THR HA H 1 5.335 0.01 . 1 . . . . A 217 THR HA . 30208 1 388 . 1 1 45 45 THR HB H 1 4.004 0.01 . 1 . . . . A 217 THR HB . 30208 1 389 . 1 1 45 45 THR HG21 H 1 0.976 0.01 . 1 . . . . A 217 THR HG21 . 30208 1 390 . 1 1 45 45 THR HG22 H 1 0.976 0.01 . 1 . . . . A 217 THR HG22 . 30208 1 391 . 1 1 45 45 THR HG23 H 1 0.976 0.01 . 1 . . . . A 217 THR HG23 . 30208 1 392 . 1 1 45 45 THR CA C 13 59.93 0.01 . 1 . . . . A 217 THR CA . 30208 1 393 . 1 1 45 45 THR CB C 13 73.864 0.01 . 1 . . . . A 217 THR CB . 30208 1 394 . 1 1 45 45 THR CG2 C 13 20.668 0.01 . 1 . . . . A 217 THR CG2 . 30208 1 395 . 1 1 45 45 THR N N 15 134.618 0.01 . 1 . . . . A 217 THR N . 30208 1 396 . 1 1 46 46 VAL H H 1 8.576 0.01 . 1 . . . . A 218 VAL H . 30208 1 397 . 1 1 46 46 VAL HA H 1 4.852 0.01 . 1 . . . . A 218 VAL HA . 30208 1 398 . 1 1 46 46 VAL HB H 1 1.914 0.01 . 1 . . . . A 218 VAL HB . 30208 1 399 . 1 1 46 46 VAL HG11 H 1 0.277 0.01 . 1 . . . . A 218 VAL HG11 . 30208 1 400 . 1 1 46 46 VAL HG12 H 1 0.277 0.01 . 1 . . . . A 218 VAL HG12 . 30208 1 401 . 1 1 46 46 VAL HG13 H 1 0.277 0.01 . 1 . . . . A 218 VAL HG13 . 30208 1 402 . 1 1 46 46 VAL HG21 H 1 0.508 0.01 . 1 . . . . A 218 VAL HG21 . 30208 1 403 . 1 1 46 46 VAL HG22 H 1 0.508 0.01 . 1 . . . . A 218 VAL HG22 . 30208 1 404 . 1 1 46 46 VAL HG23 H 1 0.508 0.01 . 1 . . . . A 218 VAL HG23 . 30208 1 405 . 1 1 46 46 VAL CA C 13 58.888 0.01 . 1 . . . . A 218 VAL CA . 30208 1 406 . 1 1 46 46 VAL CB C 13 34.792 0.01 . 1 . . . . A 218 VAL CB . 30208 1 407 . 1 1 46 46 VAL CG1 C 13 19.616 0.01 . . . . . . A 218 VAL CG1 . 30208 1 408 . 1 1 46 46 VAL CG2 C 13 22.827 0.01 . . . . . . A 218 VAL CG2 . 30208 1 409 . 1 1 46 46 VAL N N 15 109.455 0.01 . . . . . . A 218 VAL N . 30208 1 410 . 1 1 47 47 THR H H 1 8.973 0.01 . . . . . . A 219 THR H . 30208 1 411 . 1 1 47 47 THR HA H 1 4.802 0.01 . . . . . . A 219 THR HA . 30208 1 412 . 1 1 47 47 THR HB H 1 4.262 0.01 . . . . . . A 219 THR HB . 30208 1 413 . 1 1 47 47 THR HG21 H 1 1.207 0.01 . 1 . . . . A 219 THR HG21 . 30208 1 414 . 1 1 47 47 THR HG22 H 1 1.207 0.01 . 1 . . . . A 219 THR HG22 . 30208 1 415 . 1 1 47 47 THR HG23 H 1 1.207 0.01 . 1 . . . . A 219 THR HG23 . 30208 1 416 . 1 1 47 47 THR CA C 13 62.752 0.01 . 1 . . . . A 219 THR CA . 30208 1 417 . 1 1 47 47 THR CB C 13 69.873 0.01 . 1 . . . . A 219 THR CB . 30208 1 418 . 1 1 47 47 THR CG2 C 13 21.989 0.01 . 1 . . . . A 219 THR CG2 . 30208 1 419 . 1 1 47 47 THR N N 15 120.65 0.01 . 1 . . . . A 219 THR N . 30208 1 420 . 1 1 48 48 VAL H H 1 8.803 0.01 . 1 . . . . A 220 VAL H . 30208 1 421 . 1 1 48 48 VAL HB H 1 1.994 0.01 . 1 . . . . A 220 VAL HB . 30208 1 422 . 1 1 48 48 VAL HG11 H 1 0.967 0.01 . 1 . . . . A 220 VAL HG11 . 30208 1 423 . 1 1 48 48 VAL HG12 H 1 0.967 0.01 . 1 . . . . A 220 VAL HG12 . 30208 1 424 . 1 1 48 48 VAL HG13 H 1 0.967 0.01 . 1 . . . . A 220 VAL HG13 . 30208 1 425 . 1 1 48 48 VAL CB C 13 33.219 0.01 . 1 . . . . A 220 VAL CB . 30208 1 426 . 1 1 48 48 VAL CG1 C 13 21.487 0.01 . . . . . . A 220 VAL CG1 . 30208 1 427 . 1 1 48 48 VAL N N 15 126.875 0.01 . . . . . . A 220 VAL N . 30208 1 428 . 1 1 49 49 CYS H H 1 8.733 0.01 . . . . . . A 221 CYS H . 30208 1 429 . 1 1 49 49 CYS HA H 1 4.07 0.01 . . . . . . A 221 CYS HA . 30208 1 430 . 1 1 49 49 CYS HB2 H 1 2.871 0.01 . . . . . . A 221 CYS HB2 . 30208 1 431 . 1 1 49 49 CYS HB3 H 1 3.205 0.01 . . . . . . A 221 CYS HB3 . 30208 1 432 . 1 1 49 49 CYS CA C 13 59.528 0.01 . . . . . . A 221 CYS CA . 30208 1 433 . 1 1 49 49 CYS CB C 13 30.779 0.01 . . . . . . A 221 CYS CB . 30208 1 434 . 1 1 49 49 CYS N N 15 127.262 0.01 . . . . . . A 221 CYS N . 30208 1 435 . 1 1 50 50 MET H H 1 8.508 0.01 . . . . . . A 222 MET H . 30208 1 436 . 1 1 50 50 MET HA H 1 4.475 0.01 . . . . . . A 222 MET HA . 30208 1 437 . 1 1 50 50 MET HB2 H 1 2.13 0.01 . . . . . . A 222 MET HB2 . 30208 1 438 . 1 1 50 50 MET HB3 H 1 1.978 0.01 . . . . . . A 222 MET HB3 . 30208 1 439 . 1 1 50 50 MET HG2 H 1 2.784 0.01 . . . . . . A 222 MET HG2 . 30208 1 440 . 1 1 50 50 MET HG3 H 1 2.616 0.01 . . . . . . A 222 MET HG3 . 30208 1 441 . 1 1 50 50 MET HE1 H 1 1.976 0.01 . . . . . . A 222 MET HE1 . 30208 1 442 . 1 1 50 50 MET HE2 H 1 1.976 0.01 . . . . . . A 222 MET HE2 . 30208 1 443 . 1 1 50 50 MET HE3 H 1 1.976 0.01 . . . . . . A 222 MET HE3 . 30208 1 444 . 1 1 50 50 MET CA C 13 56.794 0.01 . . . . . . A 222 MET CA . 30208 1 445 . 1 1 50 50 MET CB C 13 30.367 0.01 . . . . . . A 222 MET CB . 30208 1 446 . 1 1 50 50 MET CG C 13 32.607 0.01 . . . . . . A 222 MET CG . 30208 1 447 . 1 1 50 50 MET CE C 13 16.489 0.01 . . . . . . A 222 MET CE . 30208 1 448 . 1 1 50 50 MET N N 15 131.45 0.01 . . . . . . A 222 MET N . 30208 1 449 . 1 1 51 51 ASP H H 1 8.094 0.01 . . . . . . A 223 ASP H . 30208 1 450 . 1 1 51 51 ASP HA H 1 4.332 0.01 . . . . . . A 223 ASP HA . 30208 1 451 . 1 1 51 51 ASP HB2 H 1 2.656 0.01 . . . . . . A 223 ASP HB2 . 30208 1 452 . 1 1 51 51 ASP HB3 H 1 2.616 0.01 . . . . . . A 223 ASP HB3 . 30208 1 453 . 1 1 51 51 ASP CA C 13 57.981 0.01 . . . . . . A 223 ASP CA . 30208 1 454 . 1 1 51 51 ASP CB C 13 40.07 0.01 . . . . . . A 223 ASP CB . 30208 1 455 . 1 1 51 51 ASP N N 15 120.86 0.01 . . . . . . A 223 ASP N . 30208 1 456 . 1 1 52 52 TYR H H 1 9.094 0.01 . . . . . . A 224 TYR H . 30208 1 457 . 1 1 52 52 TYR HA H 1 3.859 0.01 . . . . . . A 224 TYR HA . 30208 1 458 . 1 1 52 52 TYR HB2 H 1 2.716 0.01 . . . . . . A 224 TYR HB2 . 30208 1 459 . 1 1 52 52 TYR HB3 H 1 2.904 0.01 . . . . . . A 224 TYR HB3 . 30208 1 460 . 1 1 52 52 TYR HD1 H 1 6.69 0.01 . . . . . . A 224 TYR HD1 . 30208 1 461 . 1 1 52 52 TYR HE1 H 1 6.77 0.01 . . . . . . A 224 TYR HE1 . 30208 1 462 . 1 1 52 52 TYR CA C 13 61.409 0.01 . . . . . . A 224 TYR CA . 30208 1 463 . 1 1 52 52 TYR CB C 13 37.592 0.01 . . . . . . A 224 TYR CB . 30208 1 464 . 1 1 52 52 TYR N N 15 125.26 0.01 . . . . . . A 224 TYR N . 30208 1 465 . 1 1 53 53 ILE H H 1 7.658 0.01 . . . . . . A 225 ILE H . 30208 1 466 . 1 1 53 53 ILE HA H 1 3.552 0.01 . . . . . . A 225 ILE HA . 30208 1 467 . 1 1 53 53 ILE HB H 1 2.319 0.01 . . . . . . A 225 ILE HB . 30208 1 468 . 1 1 53 53 ILE HG12 H 1 0.99 0.01 . . . . . . A 225 ILE HG12 . 30208 1 469 . 1 1 53 53 ILE HG21 H 1 0.804 0.01 . . . . . . A 225 ILE HG21 . 30208 1 470 . 1 1 53 53 ILE HG22 H 1 0.804 0.01 . . . . . . A 225 ILE HG22 . 30208 1 471 . 1 1 53 53 ILE HG23 H 1 0.804 0.01 . . . . . . A 225 ILE HG23 . 30208 1 472 . 1 1 53 53 ILE HD11 H 1 0.888 0.01 . . . . . . A 225 ILE HD11 . 30208 1 473 . 1 1 53 53 ILE HD12 H 1 0.888 0.01 . . . . . . A 225 ILE HD12 . 30208 1 474 . 1 1 53 53 ILE HD13 H 1 0.888 0.01 . . . . . . A 225 ILE HD13 . 30208 1 475 . 1 1 53 53 ILE CA C 13 62.645 0.01 . . . . . . A 225 ILE CA . 30208 1 476 . 1 1 53 53 ILE CB C 13 36.038 0.01 . . . . . . A 225 ILE CB . 30208 1 477 . 1 1 53 53 ILE CG1 C 13 22.828 0.01 . . . . . . A 225 ILE CG1 . 30208 1 478 . 1 1 53 53 ILE CG2 C 13 11.47 0.01 . . . . . . A 225 ILE CG2 . 30208 1 479 . 1 1 53 53 ILE CD1 C 13 17.759 0.01 . . . . . . A 225 ILE CD1 . 30208 1 480 . 1 1 53 53 ILE N N 15 118.959 0.01 . . . . . . A 225 ILE N . 30208 1 481 . 1 1 54 54 LYS H H 1 7.563 0.01 . . . . . . A 226 LYS H . 30208 1 482 . 1 1 54 54 LYS HA H 1 4.164 0.01 . . . . . . A 226 LYS HA . 30208 1 483 . 1 1 54 54 LYS HB2 H 1 1.837 0.01 . . . . . . A 226 LYS HB2 . 30208 1 484 . 1 1 54 54 LYS HB3 H 1 2.01 0.01 . . . . . . A 226 LYS HB3 . 30208 1 485 . 1 1 54 54 LYS HG2 H 1 1.565 0.01 . . . . . . A 226 LYS HG2 . 30208 1 486 . 1 1 54 54 LYS HG3 H 1 1.449 0.01 . . . . . . A 226 LYS HG3 . 30208 1 487 . 1 1 54 54 LYS HE2 H 1 2.895 0.01 . . . . . . A 226 LYS HE2 . 30208 1 488 . 1 1 54 54 LYS CA C 13 56.96 0.01 . . . . . . A 226 LYS CA . 30208 1 489 . 1 1 54 54 LYS CB C 13 33.001 0.01 . . . . . . A 226 LYS CB . 30208 1 490 . 1 1 54 54 LYS CG C 13 25.76 0.01 . . . . . . A 226 LYS CG . 30208 1 491 . 1 1 54 54 LYS CE C 13 42.066 0.01 . . . . . . A 226 LYS CE . 30208 1 492 . 1 1 54 54 LYS N N 15 117.958 0.01 . . . . . . A 226 LYS N . 30208 1 493 . 1 1 55 55 GLY H H 1 7.641 0.01 . . . . . . A 227 GLY H . 30208 1 494 . 1 1 55 55 GLY HA2 H 1 4.054 0.01 . . . . . . A 227 GLY HA2 . 30208 1 495 . 1 1 55 55 GLY CA C 13 46.146 0.01 . . . . . . A 227 GLY CA . 30208 1 496 . 1 1 55 55 GLY N N 15 107.83 0.01 . . . . . . A 227 GLY N . 30208 1 497 . 1 1 56 56 ARG H H 1 8.156 0.01 . . . . . . A 228 ARG H . 30208 1 498 . 1 1 56 56 ARG HA H 1 4.509 0.01 . . . . . . A 228 ARG HA . 30208 1 499 . 1 1 56 56 ARG HB2 H 1 1.762 0.01 . . . . . . A 228 ARG HB2 . 30208 1 500 . 1 1 56 56 ARG HB3 H 1 1.683 0.01 . . . . . . A 228 ARG HB3 . 30208 1 501 . 1 1 56 56 ARG HG2 H 1 1.468 0.01 . . . . . . A 228 ARG HG2 . 30208 1 502 . 1 1 56 56 ARG HD2 H 1 3.134 0.01 . . . . . . A 228 ARG HD2 . 30208 1 503 . 1 1 56 56 ARG CA C 13 55.4 0.01 . . . . . . A 228 ARG CA . 30208 1 504 . 1 1 56 56 ARG CB C 13 31.767 0.01 . . . . . . A 228 ARG CB . 30208 1 505 . 1 1 56 56 ARG CG C 13 26.809 0.01 . . . . . . A 228 ARG CG . 30208 1 506 . 1 1 56 56 ARG CD C 13 43.544 0.01 . . . . . . A 228 ARG CD . 30208 1 507 . 1 1 56 56 ARG N N 15 119.201 0.01 . . . . . . A 228 ARG N . 30208 1 508 . 1 1 57 57 CYS H H 1 8.482 0.01 . . . . . . A 229 CYS H . 30208 1 509 . 1 1 57 57 CYS HA H 1 4.644 0.01 . . . . . . A 229 CYS HA . 30208 1 510 . 1 1 57 57 CYS HB2 H 1 2.587 0.01 . . . . . . A 229 CYS HB2 . 30208 1 511 . 1 1 57 57 CYS HB3 H 1 2.908 0.01 . . . . . . A 229 CYS HB3 . 30208 1 512 . 1 1 57 57 CYS CA C 13 59.838 0.01 . . . . . . A 229 CYS CA . 30208 1 513 . 1 1 57 57 CYS CB C 13 30.381 0.01 . . . . . . A 229 CYS CB . 30208 1 514 . 1 1 57 57 CYS N N 15 126.096 0.01 . . . . . . A 229 CYS N . 30208 1 515 . 1 1 58 58 SER H H 1 9.094 0.01 . . . . . . A 230 SER H . 30208 1 516 . 1 1 58 58 SER HA H 1 4.767 0.01 . . . . . . A 230 SER HA . 30208 1 517 . 1 1 58 58 SER HB2 H 1 4.023 0.01 . . . . . . A 230 SER HB2 . 30208 1 518 . 1 1 58 58 SER HB3 H 1 3.841 0.01 . . . . . . A 230 SER HB3 . 30208 1 519 . 1 1 58 58 SER CA C 13 57.403 0.01 . . . . . . A 230 SER CA . 30208 1 520 . 1 1 58 58 SER CB C 13 63.815 0.01 . . . . . . A 230 SER CB . 30208 1 521 . 1 1 58 58 SER N N 15 125.26 0.01 . . . . . . A 230 SER N . 30208 1 522 . 1 1 59 59 ARG H H 1 8.117 0.01 . . . . . . A 231 ARG H . 30208 1 523 . 1 1 59 59 ARG HA H 1 4.248 0.01 . . . . . . A 231 ARG HA . 30208 1 524 . 1 1 59 59 ARG HB2 H 1 1.752 0.01 . . . . . . A 231 ARG HB2 . 30208 1 525 . 1 1 59 59 ARG HB3 H 1 1.711 0.01 . . . . . . A 231 ARG HB3 . 30208 1 526 . 1 1 59 59 ARG HG2 H 1 1.89 0.01 . . . . . . A 231 ARG HG2 . 30208 1 527 . 1 1 59 59 ARG HD2 H 1 3.538 0.01 . . . . . . A 231 ARG HD2 . 30208 1 528 . 1 1 59 59 ARG HD3 H 1 3.395 0.01 . . . . . . A 231 ARG HD3 . 30208 1 529 . 1 1 59 59 ARG CA C 13 56.891 0.01 . . . . . . A 231 ARG CA . 30208 1 530 . 1 1 59 59 ARG CB C 13 31.257 0.01 . . . . . . A 231 ARG CB . 30208 1 531 . 1 1 59 59 ARG CG C 13 28.402 0.01 . . . . . . A 231 ARG CG . 30208 1 532 . 1 1 59 59 ARG CD C 13 43.949 0.01 . . . . . . A 231 ARG CD . 30208 1 533 . 1 1 59 59 ARG N N 15 124.285 0.01 . . . . . . A 231 ARG N . 30208 1 534 . 1 1 60 60 GLU H H 1 8.779 0.01 . . . . . . A 232 GLU H . 30208 1 535 . 1 1 60 60 GLU HA H 1 4.114 0.01 . . . . . . A 232 GLU HA . 30208 1 536 . 1 1 60 60 GLU HB2 H 1 2.119 0.01 . . . . . . A 232 GLU HB2 . 30208 1 537 . 1 1 60 60 GLU HB3 H 1 1.98 0.01 . . . . . . A 232 GLU HB3 . 30208 1 538 . 1 1 60 60 GLU HG2 H 1 2.364 0.01 . . . . . . A 232 GLU HG2 . 30208 1 539 . 1 1 60 60 GLU HG3 H 1 2.275 0.01 . . . . . . A 232 GLU HG3 . 30208 1 540 . 1 1 60 60 GLU CA C 13 58.185 0.01 . . . . . . A 232 GLU CA . 30208 1 541 . 1 1 60 60 GLU CB C 13 29.866 0.01 . . . . . . A 232 GLU CB . 30208 1 542 . 1 1 60 60 GLU CG C 13 36.576 0.01 . 1 . . . . A 232 GLU CG . 30208 1 543 . 1 1 60 60 GLU N N 15 125.821 0.01 . . . . . . A 232 GLU N . 30208 1 544 . 1 1 61 61 LYS H H 1 8.409 0.01 . . . . . . A 233 LYS H . 30208 1 545 . 1 1 61 61 LYS HA H 1 4.195 0.01 . . . . . . A 233 LYS HA . 30208 1 546 . 1 1 61 61 LYS HB2 H 1 1.684 0.01 . 1 . . . . A 233 LYS HB2 . 30208 1 547 . 1 1 61 61 LYS HB3 H 1 1.757 0.01 . . . . . . A 233 LYS HB3 . 30208 1 548 . 1 1 61 61 LYS HG2 H 1 1.294 0.01 . . . . . . A 233 LYS HG2 . 30208 1 549 . 1 1 61 61 LYS HG3 H 1 1.349 0.01 . . . . . . A 233 LYS HG3 . 30208 1 550 . 1 1 61 61 LYS CA C 13 55.122 0.01 . 1 . . . . A 233 LYS CA . 30208 1 551 . 1 1 61 61 LYS CB C 13 31.54 0.01 . . . . . . A 233 LYS CB . 30208 1 552 . 1 1 61 61 LYS CG C 13 25.044 0.01 . . . . . . A 233 LYS CG . 30208 1 553 . 1 1 61 61 LYS N N 15 121.021 0.01 . . . . . . A 233 LYS N . 30208 1 554 . 1 1 62 62 CYS H H 1 7.867 0.01 . . . . . . A 234 CYS H . 30208 1 555 . 1 1 62 62 CYS HA H 1 3.902 0.01 . 1 . . . . A 234 CYS HA . 30208 1 556 . 1 1 62 62 CYS HB2 H 1 2.668 0.01 . . . . . . A 234 CYS HB2 . 30208 1 557 . 1 1 62 62 CYS HB3 H 1 2.566 0.01 . . . . . . A 234 CYS HB3 . 30208 1 558 . 1 1 62 62 CYS CA C 13 61.128 0.01 . . . . . . A 234 CYS CA . 30208 1 559 . 1 1 62 62 CYS CB C 13 30.127 0.01 . . . . . . A 234 CYS CB . 30208 1 560 . 1 1 62 62 CYS N N 15 124.915 0.01 . . . . . . A 234 CYS N . 30208 1 561 . 1 1 63 63 LYS H H 1 8.24 0.01 . . . . . . A 235 LYS H . 30208 1 562 . 1 1 63 63 LYS HA H 1 4.299 0.01 . . . . . . A 235 LYS HA . 30208 1 563 . 1 1 63 63 LYS HB2 H 1 1.62 0.01 . . . . . . A 235 LYS HB2 . 30208 1 564 . 1 1 63 63 LYS HB3 H 1 1.53 0.01 . . . . . . A 235 LYS HB3 . 30208 1 565 . 1 1 63 63 LYS HG2 H 1 1.211 0.01 . . . . . . A 235 LYS HG2 . 30208 1 566 . 1 1 63 63 LYS HG3 H 1 0.997 0.01 . . . . . . A 235 LYS HG3 . 30208 1 567 . 1 1 63 63 LYS CA C 13 56.958 0.01 . . . . . . A 235 LYS CA . 30208 1 568 . 1 1 63 63 LYS CB C 13 32.606 0.01 . . . . . . A 235 LYS CB . 30208 1 569 . 1 1 63 63 LYS CG C 13 24.35 0.01 . . . . . . A 235 LYS CG . 30208 1 570 . 1 1 63 63 LYS N N 15 127.355 0.01 . 1 . . . . A 235 LYS N . 30208 1 571 . 1 1 64 64 TYR H H 1 8.885 0.01 . 1 . . . . A 236 TYR H . 30208 1 572 . 1 1 64 64 TYR HA H 1 4.975 0.01 . 1 . . . . A 236 TYR HA . 30208 1 573 . 1 1 64 64 TYR HB2 H 1 3.107 0.01 . 1 . . . . A 236 TYR HB2 . 30208 1 574 . 1 1 64 64 TYR HD1 H 1 7.272 0.01 . 1 . . . . A 236 TYR HD1 . 30208 1 575 . 1 1 64 64 TYR HE1 H 1 6.929 0.01 . 1 . . . . A 236 TYR HE1 . 30208 1 576 . 1 1 64 64 TYR CA C 13 56.32 0.01 . 1 . . . . A 236 TYR CA . 30208 1 577 . 1 1 64 64 TYR CB C 13 39.501 0.01 . . . . . . A 236 TYR CB . 30208 1 578 . 1 1 64 64 TYR N N 15 122.53 0.01 . . . . . . A 236 TYR N . 30208 1 579 . 1 1 65 65 PHE H H 1 9.039 0.01 . . . . . . A 237 PHE H . 30208 1 580 . 1 1 65 65 PHE HA H 1 4.563 0.01 . . . . . . A 237 PHE HA . 30208 1 581 . 1 1 65 65 PHE HB2 H 1 2.723 0.01 . 1 . . . . A 237 PHE HB2 . 30208 1 582 . 1 1 65 65 PHE HB3 H 1 3.088 0.01 . 1 . . . . A 237 PHE HB3 . 30208 1 583 . 1 1 65 65 PHE HD1 H 1 7.247 0.01 . . . . . . A 237 PHE HD1 . 30208 1 584 . 1 1 65 65 PHE HE1 H 1 7.16 0.01 . . . . . . A 237 PHE HE1 . 30208 1 585 . 1 1 65 65 PHE HZ H 1 7.158 0.01 . . . . . . A 237 PHE HZ . 30208 1 586 . 1 1 65 65 PHE CA C 13 57.786 0.01 . 1 . . . . A 237 PHE CA . 30208 1 587 . 1 1 65 65 PHE N N 15 119.898 0.01 . . . . . . A 237 PHE N . 30208 1 588 . 1 1 66 66 HIS H H 1 8.648 0.01 . . . . . . A 238 HIS H . 30208 1 589 . 1 1 66 66 HIS HA H 1 4.527 0.01 . . . . . . A 238 HIS HA . 30208 1 590 . 1 1 66 66 HIS HB2 H 1 1.237 0.01 . . . . . . A 238 HIS HB2 . 30208 1 591 . 1 1 66 66 HIS HB3 H 1 2.72 0.01 . . . . . . A 238 HIS HB3 . 30208 1 592 . 1 1 66 66 HIS HD2 H 1 6.499 0.01 . 1 . . . . A 238 HIS HD2 . 30208 1 593 . 1 1 66 66 HIS HE1 H 1 8.03 0.01 . 1 . . . . A 238 HIS HE1 . 30208 1 594 . 1 1 66 66 HIS CA C 13 51.367 0.01 . 1 . . . . A 238 HIS CA . 30208 1 595 . 1 1 66 66 HIS N N 15 131.053 0.01 . . . . . . A 238 HIS N . 30208 1 596 . 1 1 67 67 PRO HA H 1 3.955 0.01 . . . . . . A 239 PRO HA . 30208 1 597 . 1 1 67 67 PRO HB2 H 1 1.846 0.01 . . . . . . A 239 PRO HB2 . 30208 1 598 . 1 1 67 67 PRO HB3 H 1 1.727 0.01 . . . . . . A 239 PRO HB3 . 30208 1 599 . 1 1 67 67 PRO HG2 H 1 2.065 0.01 . . . . . . A 239 PRO HG2 . 30208 1 600 . 1 1 67 67 PRO HG3 H 1 1.809 0.01 . . . . . . A 239 PRO HG3 . 30208 1 601 . 1 1 67 67 PRO HD2 H 1 4.325 0.01 . . . . . . A 239 PRO HD2 . 30208 1 602 . 1 1 67 67 PRO HD3 H 1 3.496 0.01 . . . . . . A 239 PRO HD3 . 30208 1 603 . 1 1 67 67 PRO CA C 13 60.906 0.01 . . . . . . A 239 PRO CA . 30208 1 604 . 1 1 67 67 PRO CG C 13 27.883 0.01 . . . . . . A 239 PRO CG . 30208 1 605 . 1 1 67 67 PRO CD C 13 51.064 0.01 . . . . . . A 239 PRO CD . 30208 1 606 . 1 1 68 68 PRO HA H 1 4.481 0.01 . . . . . . A 240 PRO HA . 30208 1 607 . 1 1 68 68 PRO HB2 H 1 1.705 0.01 . . . . . . A 240 PRO HB2 . 30208 1 608 . 1 1 68 68 PRO HB3 H 1 1.329 0.01 . . . . . . A 240 PRO HB3 . 30208 1 609 . 1 1 68 68 PRO HG2 H 1 2.01 0.01 . . . . . . A 240 PRO HG2 . 30208 1 610 . 1 1 68 68 PRO HG3 H 1 2 0.01 . . . . . . A 240 PRO HG3 . 30208 1 611 . 1 1 68 68 PRO HD2 H 1 3.55 0.01 . . . . . . A 240 PRO HD2 . 30208 1 612 . 1 1 68 68 PRO HD3 H 1 3.212 0.01 . . . . . . A 240 PRO HD3 . 30208 1 613 . 1 1 68 68 PRO CA C 13 63.039 0.01 . . . . . . A 240 PRO CA . 30208 1 614 . 1 1 68 68 PRO CG C 13 27.91 0.01 . . . . . . A 240 PRO CG . 30208 1 615 . 1 1 68 68 PRO CD C 13 50.454 0.01 . . . . . . A 240 PRO CD . 30208 1 616 . 1 1 69 69 ALA HA H 1 4.436 0.01 . . . . . . A 241 ALA HA . 30208 1 617 . 1 1 69 69 ALA HB1 H 1 1.572 0.01 . . . . . . A 241 ALA HB1 . 30208 1 618 . 1 1 69 69 ALA HB2 H 1 1.572 0.01 . . . . . . A 241 ALA HB2 . 30208 1 619 . 1 1 69 69 ALA HB3 H 1 1.572 0.01 . . . . . . A 241 ALA HB3 . 30208 1 620 . 1 1 69 69 ALA CA C 13 56.644 0.01 . . . . . . A 241 ALA CA . 30208 1 621 . 1 1 69 69 ALA CB C 13 19.44 0.01 . . . . . . A 241 ALA CB . 30208 1 622 . 1 1 70 70 HIS HA H 1 4.558 0.01 . . . . . . A 242 HIS HA . 30208 1 623 . 1 1 70 70 HIS HB2 H 1 3.15 0.01 . . . . . . A 242 HIS HB2 . 30208 1 624 . 1 1 70 70 HIS HD2 H 1 6.82 0.01 . . . . . . A 242 HIS HD2 . 30208 1 625 . 1 1 70 70 HIS HE1 H 1 8.004 0.01 . . . . . . A 242 HIS HE1 . 30208 1 626 . 1 1 70 70 HIS CA C 13 59.436 0.01 . . . . . . A 242 HIS CA . 30208 1 627 . 1 1 71 71 LEU H H 1 6.644 0.01 . . . . . . A 243 LEU H . 30208 1 628 . 1 1 71 71 LEU HA H 1 4.24 0.01 . . . . . . A 243 LEU HA . 30208 1 629 . 1 1 71 71 LEU HB2 H 1 1.437 0.01 . . . . . . A 243 LEU HB2 . 30208 1 630 . 1 1 71 71 LEU HB3 H 1 1.346 0.01 . . . . . . A 243 LEU HB3 . 30208 1 631 . 1 1 71 71 LEU HD11 H 1 0.806 0.01 . . . . . . A 243 LEU HD11 . 30208 1 632 . 1 1 71 71 LEU HD12 H 1 0.806 0.01 . . . . . . A 243 LEU HD12 . 30208 1 633 . 1 1 71 71 LEU HD13 H 1 0.806 0.01 . . . . . . A 243 LEU HD13 . 30208 1 634 . 1 1 71 71 LEU HD21 H 1 0.66 0.01 . . . . . . A 243 LEU HD21 . 30208 1 635 . 1 1 71 71 LEU HD22 H 1 0.66 0.01 . . . . . . A 243 LEU HD22 . 30208 1 636 . 1 1 71 71 LEU HD23 H 1 0.66 0.01 . . . . . . A 243 LEU HD23 . 30208 1 637 . 1 1 71 71 LEU CA C 13 55.903 0.01 . . . . . . A 243 LEU CA . 30208 1 638 . 1 1 71 71 LEU CB C 13 42.255 0.01 . . . . . . A 243 LEU CB . 30208 1 639 . 1 1 71 71 LEU CD1 C 13 25.141 0.01 . . . . . . A 243 LEU CD1 . 30208 1 640 . 1 1 71 71 LEU CD2 C 13 22.876 0.01 . . . . . . A 243 LEU CD2 . 30208 1 641 . 1 1 71 71 LEU N N 15 121.519 0.01 . . . . . . A 243 LEU N . 30208 1 642 . 1 1 72 72 GLN H H 1 8.144 0.01 . . . . . . A 244 GLN H . 30208 1 643 . 1 1 72 72 GLN HA H 1 3.775 0.01 . . . . . . A 244 GLN HA . 30208 1 644 . 1 1 72 72 GLN HB2 H 1 2.041 0.01 . . . . . . A 244 GLN HB2 . 30208 1 645 . 1 1 72 72 GLN HB3 H 1 2.235 0.01 . . . . . . A 244 GLN HB3 . 30208 1 646 . 1 1 72 72 GLN HG2 H 1 2.34 0.01 . . . . . . A 244 GLN HG2 . 30208 1 647 . 1 1 72 72 GLN HG3 H 1 1.983 0.01 . . . . . . A 244 GLN HG3 . 30208 1 648 . 1 1 72 72 GLN CA C 13 59.665 0.01 . . . . . . A 244 GLN CA . 30208 1 649 . 1 1 72 72 GLN CB C 13 28.552 0.01 . . . . . . A 244 GLN CB . 30208 1 650 . 1 1 72 72 GLN CG C 13 34.197 0.01 . 1 . . . . A 244 GLN CG . 30208 1 651 . 1 1 72 72 GLN N N 15 119.85 0.01 . 1 . . . . A 244 GLN N . 30208 1 652 . 1 1 73 73 ALA H H 1 7.829 0.01 . 1 . . . . A 245 ALA H . 30208 1 653 . 1 1 73 73 ALA HA H 1 4.077 0.01 . 1 . . . . A 245 ALA HA . 30208 1 654 . 1 1 73 73 ALA HB1 H 1 1.505 0.01 . 1 . . . . A 245 ALA HB1 . 30208 1 655 . 1 1 73 73 ALA HB2 H 1 1.505 0.01 . 1 . . . . A 245 ALA HB2 . 30208 1 656 . 1 1 73 73 ALA HB3 H 1 1.505 0.01 . 1 . . . . A 245 ALA HB3 . 30208 1 657 . 1 1 73 73 ALA CA C 13 55.16 0.01 . 1 . . . . A 245 ALA CA . 30208 1 658 . 1 1 73 73 ALA CB C 13 18.193 0.01 . 1 . . . . A 245 ALA CB . 30208 1 659 . 1 1 73 73 ALA N N 15 119.773 0.01 . 1 . . . . A 245 ALA N . 30208 1 660 . 1 1 74 74 LYS H H 1 7.354 0.01 . 1 . . . . A 246 LYS H . 30208 1 661 . 1 1 74 74 LYS HA H 1 4.143 0.01 . 1 . . . . A 246 LYS HA . 30208 1 662 . 1 1 74 74 LYS HB2 H 1 1.979 0.01 . 1 . . . . A 246 LYS HB2 . 30208 1 663 . 1 1 74 74 LYS HG2 H 1 1.423 0.01 . . . . . . A 246 LYS HG2 . 30208 1 664 . 1 1 74 74 LYS HG3 H 1 1.471 0.01 . . . . . . A 246 LYS HG3 . 30208 1 665 . 1 1 74 74 LYS HD2 H 1 1.633 0.01 . . . . . . A 246 LYS HD2 . 30208 1 666 . 1 1 74 74 LYS HD3 H 1 1.475 0.01 . . . . . . A 246 LYS HD3 . 30208 1 667 . 1 1 74 74 LYS HE2 H 1 3.022 0.01 . . . . . . A 246 LYS HE2 . 30208 1 668 . 1 1 74 74 LYS CA C 13 58.838 0.01 . 1 . . . . A 246 LYS CA . 30208 1 669 . 1 1 74 74 LYS CB C 13 32.881 0.01 . 1 . . . . A 246 LYS CB . 30208 1 670 . 1 1 74 74 LYS CG C 13 24.982 0.01 . 1 . . . . A 246 LYS CG . 30208 1 671 . 1 1 74 74 LYS CE C 13 42.087 0.01 . 1 . . . . A 246 LYS CE . 30208 1 672 . 1 1 74 74 LYS N N 15 118.527 0.01 . 1 . . . . A 246 LYS N . 30208 1 673 . 1 1 75 75 ILE H H 1 7.803 0.01 . 1 . . . . A 247 ILE H . 30208 1 674 . 1 1 75 75 ILE HA H 1 3.9 0.01 . 1 . . . . A 247 ILE HA . 30208 1 675 . 1 1 75 75 ILE HB H 1 1.964 0.01 . 1 . . . . A 247 ILE HB . 30208 1 676 . 1 1 75 75 ILE HG12 H 1 1.384 0.01 . 1 . . . . A 247 ILE HG12 . 30208 1 677 . 1 1 75 75 ILE HG13 H 1 1.66 0.01 . . . . . . A 247 ILE HG13 . 30208 1 678 . 1 1 75 75 ILE HG21 H 1 0.853 0.01 . . . . . . A 247 ILE HG21 . 30208 1 679 . 1 1 75 75 ILE HG22 H 1 0.853 0.01 . . . . . . A 247 ILE HG22 . 30208 1 680 . 1 1 75 75 ILE HG23 H 1 0.853 0.01 . . . . . . A 247 ILE HG23 . 30208 1 681 . 1 1 75 75 ILE HD11 H 1 0.943 0.01 . . . . . . A 247 ILE HD11 . 30208 1 682 . 1 1 75 75 ILE HD12 H 1 0.943 0.01 . . . . . . A 247 ILE HD12 . 30208 1 683 . 1 1 75 75 ILE HD13 H 1 0.943 0.01 . . . . . . A 247 ILE HD13 . 30208 1 684 . 1 1 75 75 ILE CA C 13 63.557 0.01 . . . . . . A 247 ILE CA . 30208 1 685 . 1 1 75 75 ILE CB C 13 38.184 0.01 . . . . . . A 247 ILE CB . 30208 1 686 . 1 1 75 75 ILE CG1 C 13 28.537 0.01 . . . . . . A 247 ILE CG1 . 30208 1 687 . 1 1 75 75 ILE CG2 C 13 13.654 0.01 . . . . . . A 247 ILE CG2 . 30208 1 688 . 1 1 75 75 ILE CD1 C 13 18.039 0.01 . . . . . . A 247 ILE CD1 . 30208 1 689 . 1 1 75 75 ILE N N 15 119.665 0.01 . 1 . . . . A 247 ILE N . 30208 1 690 . 1 1 76 76 LYS H H 1 8.269 0.01 . 1 . . . . A 248 LYS H . 30208 1 691 . 1 1 76 76 LYS HA H 1 3.943 0.01 . 1 . . . . A 248 LYS HA . 30208 1 692 . 1 1 76 76 LYS HB2 H 1 1.814 0.01 . 1 . . . . A 248 LYS HB2 . 30208 1 693 . 1 1 76 76 LYS HB3 H 1 1.887 0.01 . 1 . . . . A 248 LYS HB3 . 30208 1 694 . 1 1 76 76 LYS HG2 H 1 1.526 0.01 . 1 . . . . A 248 LYS HG2 . 30208 1 695 . 1 1 76 76 LYS HD2 H 1 1.406 0.01 . 1 . . . . A 248 LYS HD2 . 30208 1 696 . 1 1 76 76 LYS HE2 H 1 2.971 0.01 . 1 . . . . A 248 LYS HE2 . 30208 1 697 . 1 1 76 76 LYS CA C 13 59.314 0.01 . 1 . . . . A 248 LYS CA . 30208 1 698 . 1 1 76 76 LYS CB C 13 32.791 0.01 . 1 . . . . A 248 LYS CB . 30208 1 699 . 1 1 76 76 LYS CG C 13 25.925 0.01 . 1 . . . . A 248 LYS CG . 30208 1 700 . 1 1 76 76 LYS CE C 13 42.167 0.01 . 1 . . . . A 248 LYS CE . 30208 1 701 . 1 1 76 76 LYS N N 15 121.121 0.01 . 1 . . . . A 248 LYS N . 30208 1 702 . 1 1 77 77 ALA H H 1 7.796 0.01 . 1 . . . . A 249 ALA H . 30208 1 703 . 1 1 77 77 ALA HA H 1 4.236 0.01 . 1 . . . . A 249 ALA HA . 30208 1 704 . 1 1 77 77 ALA HB1 H 1 1.493 0.01 . 1 . . . . A 249 ALA HB1 . 30208 1 705 . 1 1 77 77 ALA HB2 H 1 1.493 0.01 . 1 . . . . A 249 ALA HB2 . 30208 1 706 . 1 1 77 77 ALA HB3 H 1 1.493 0.01 . 1 . . . . A 249 ALA HB3 . 30208 1 707 . 1 1 77 77 ALA CA C 13 53.84 0.01 . 1 . . . . A 249 ALA CA . 30208 1 708 . 1 1 77 77 ALA CB C 13 18.589 0.01 . 1 . . . . A 249 ALA CB . 30208 1 709 . 1 1 77 77 ALA N N 15 120.594 0.01 . 1 . . . . A 249 ALA N . 30208 1 710 . 1 1 78 78 ALA H H 1 7.653 0.01 . 1 . . . . A 250 ALA H . 30208 1 711 . 1 1 78 78 ALA HA H 1 4.306 0.01 . 1 . . . . A 250 ALA HA . 30208 1 712 . 1 1 78 78 ALA HB1 H 1 1.512 0.01 . 1 . . . . A 250 ALA HB1 . 30208 1 713 . 1 1 78 78 ALA HB2 H 1 1.512 0.01 . 1 . . . . A 250 ALA HB2 . 30208 1 714 . 1 1 78 78 ALA HB3 H 1 1.512 0.01 . 1 . . . . A 250 ALA HB3 . 30208 1 715 . 1 1 78 78 ALA CA C 13 53.19 0.01 . 1 . . . . A 250 ALA CA . 30208 1 716 . 1 1 78 78 ALA CB C 13 19.029 0.01 . 1 . . . . A 250 ALA CB . 30208 1 717 . 1 1 78 78 ALA N N 15 120.737 0.01 . 1 . . . . A 250 ALA N . 30208 1 718 . 1 1 79 79 GLN H H 1 7.794 0.01 . 1 . . . . A 251 GLN H . 30208 1 719 . 1 1 79 79 GLN HA H 1 4.181 0.01 . 1 . . . . A 251 GLN HA . 30208 1 720 . 1 1 79 79 GLN HB2 H 1 2.018 0.01 . 1 . . . . A 251 GLN HB2 . 30208 1 721 . 1 1 79 79 GLN HB3 H 1 1.975 0.01 . 1 . . . . A 251 GLN HB3 . 30208 1 722 . 1 1 79 79 GLN HG2 H 1 2.394 0.01 . 1 . . . . A 251 GLN HG2 . 30208 1 723 . 1 1 79 79 GLN CA C 13 56.337 0.01 . 1 . . . . A 251 GLN CA . 30208 1 724 . 1 1 79 79 GLN CB C 13 29.052 0.01 . 1 . . . . A 251 GLN CB . 30208 1 725 . 1 1 79 79 GLN CG C 13 33.879 0.01 . 1 . . . . A 251 GLN CG . 30208 1 726 . 1 1 79 79 GLN N N 15 116.867 0.01 . 1 . . . . A 251 GLN N . 30208 1 727 . 1 1 80 80 TYR H H 1 7.855 0.01 . 1 . . . . A 252 TYR H . 30208 1 728 . 1 1 80 80 TYR HB2 H 1 3.069 0.01 . 1 . . . . A 252 TYR HB2 . 30208 1 729 . 1 1 80 80 TYR N N 15 118.969 0.01 . 1 . . . . A 252 TYR N . 30208 1 730 . 1 1 81 81 GLN H H 1 8.016 0.01 . 1 . . . . A 253 GLN H . 30208 1 731 . 1 1 81 81 GLN HA H 1 4.379 0.01 . 1 . . . . A 253 GLN HA . 30208 1 732 . 1 1 81 81 GLN HB2 H 1 2.094 0.01 . 1 . . . . A 253 GLN HB2 . 30208 1 733 . 1 1 81 81 GLN HB3 H 1 2.017 0.01 . 1 . . . . A 253 GLN HB3 . 30208 1 734 . 1 1 81 81 GLN HG2 H 1 2.323 0.01 . 1 . . . . A 253 GLN HG2 . 30208 1 735 . 1 1 81 81 GLN CA C 13 55.735 0.01 . 1 . . . . A 253 GLN CA . 30208 1 736 . 1 1 81 81 GLN CB C 13 29.939 0.01 . 1 . . . . A 253 GLN CB . 30208 1 737 . 1 1 81 81 GLN CG C 13 33.887 0.01 . 1 . . . . A 253 GLN CG . 30208 1 738 . 1 1 81 81 GLN N N 15 121.903 0.01 . 1 . . . . A 253 GLN N . 30208 1 739 . 1 1 82 82 VAL H H 1 8.139 0.01 . 1 . . . . A 254 VAL H . 30208 1 740 . 1 1 82 82 VAL HA H 1 4.146 0.01 . 1 . . . . A 254 VAL HA . 30208 1 741 . 1 1 82 82 VAL HB H 1 2.119 0.01 . 1 . . . . A 254 VAL HB . 30208 1 742 . 1 1 82 82 VAL HG11 H 1 0.952 0.01 . 1 . . . . A 254 VAL HG11 . 30208 1 743 . 1 1 82 82 VAL HG12 H 1 0.952 0.01 . 1 . . . . A 254 VAL HG12 . 30208 1 744 . 1 1 82 82 VAL HG13 H 1 0.952 0.01 . 1 . . . . A 254 VAL HG13 . 30208 1 745 . 1 1 82 82 VAL CA C 13 62.438 0.01 . 1 . . . . A 254 VAL CA . 30208 1 746 . 1 1 82 82 VAL CB C 13 32.998 0.01 . 1 . . . . A 254 VAL CB . 30208 1 747 . 1 1 82 82 VAL CG1 C 13 20.544 0.01 . 1 . . . . A 254 VAL CG1 . 30208 1 748 . 1 1 82 82 VAL N N 15 121.693 0.01 . 1 . . . . A 254 VAL N . 30208 1 749 . 1 1 83 83 ASN H H 1 8.037 0.01 . 1 . . . . A 255 ASN H . 30208 1 750 . 1 1 83 83 ASN HA H 1 4.503 0.01 . 1 . . . . A 255 ASN HA . 30208 1 751 . 1 1 83 83 ASN HB2 H 1 2.783 0.01 . 1 . . . . A 255 ASN HB2 . 30208 1 752 . 1 1 83 83 ASN HB3 H 1 2.684 0.01 . 1 . . . . A 255 ASN HB3 . 30208 1 753 . 1 1 83 83 ASN CA C 13 54.921 0.01 . 1 . . . . A 255 ASN CA . 30208 1 754 . 1 1 83 83 ASN CB C 13 40.714 0.01 . 1 . . . . A 255 ASN CB . 30208 1 755 . 1 1 83 83 ASN N N 15 127.789 0.01 . 1 . . . . A 255 ASN N . 30208 1 stop_ save_