data_30705 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30705 _Entry.Title ; Solution structure of the PHD of mouse UHRF1 (NP95) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-01-06 _Entry.Accession_date 2020-01-06 _Entry.Last_release_date 2020-05-06 _Entry.Original_release_date 2020-05-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 A. Lemak A. . . . 30705 2 S. Houliston S. . . . 30705 3 S. Duan S. . . . 30705 4 C. Arrowsmith C. H. . . 30705 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID H3K9me3 . 30705 Histone . 30705 NP95 . 30705 'PEPTIDE BINDING PROTEIN' . 30705 'Plant Homeodomain' . 30705 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30705 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 303 30705 '15N chemical shifts' 71 30705 '1H chemical shifts' 486 30705 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 1 . . 2020-06-11 . original BMRB . 30705 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6VFO 'BMRB Entry Tracking System' 30705 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30705 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution structure of the PHD of mouse UHRF1 (NP95) ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year . _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 A. Lemak A. . . . 30705 1 2 S. Houliston S. . . . 30705 1 3 S. Duan S. . . . 30705 1 4 C. Arrowsmith C. H. . . 30705 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30705 _Assembly.ID 1 _Assembly.Name 'E3 ubiquitin-protein ligase UHRF1 (E.C.2.3.2.27)' _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 unit_1 1 $entity_1 A A yes . . . . . . 30705 1 2 'ZN ion, 1' 2 $entity_ZN B A no . . . . . . 30705 1 3 'ZN ion, 2' 2 $entity_ZN C A no . . . . . . 30705 1 4 'ZN ion, 3' 2 $entity_ZN D A no . . . . . . 30705 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_asym_ID_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_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 5 5 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30705 1 2 coordination single . 1 . 1 CYS 8 8 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30705 1 3 coordination single . 1 . 1 CYS 16 16 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30705 1 4 coordination single . 1 . 1 CYS 19 19 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30705 1 5 coordination single . 1 . 1 CYS 21 21 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30705 1 6 coordination single . 1 . 1 CYS 24 24 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30705 1 7 coordination single . 1 . 1 HIS 44 44 ND1 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30705 1 8 coordination single . 1 . 1 CYS 47 47 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30705 1 9 coordination single . 1 . 1 CYS 36 36 SG . 4 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30705 1 10 coordination single . 1 . 1 GLU 38 38 OE2 . 4 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30705 1 11 coordination single . 1 . 1 CYS 39 39 SG . 4 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30705 1 12 coordination single . 1 . 1 CYS 63 63 SG . 4 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30705 1 13 coordination single . 1 . 1 CYS 66 66 SG . 4 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30705 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30705 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_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 ; SGPSCRFCKDDENKPCRKCA CHVCGGREAPEKQLLCDECD MAFHLYCLKPPLTSVPPEPE WYCPSCRTDSSEVVQAGE ; _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 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.3.2.27 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8693.900 _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 'Nuclear protein 95' common 30705 1 'Nuclear zinc finger protein Np95' common 30705 1 'RING-type E3 ubiquitin transferase UHRF1' common 30705 1 'Ubiquitin-like PHD and RING finger domain-containing protein 1' common 30705 1 'Ubiquitin-like-containing PHD and RING finger domains protein 1' common 30705 1 mUhrf1 common 30705 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 1 303 SER . 30705 1 2 304 GLY . 30705 1 3 305 PRO . 30705 1 4 306 SER . 30705 1 5 307 CYS . 30705 1 6 308 ARG . 30705 1 7 309 PHE . 30705 1 8 310 CYS . 30705 1 9 311 LYS . 30705 1 10 312 ASP . 30705 1 11 313 ASP . 30705 1 12 314 GLU . 30705 1 13 315 ASN . 30705 1 14 316 LYS . 30705 1 15 317 PRO . 30705 1 16 318 CYS . 30705 1 17 319 ARG . 30705 1 18 320 LYS . 30705 1 19 321 CYS . 30705 1 20 322 ALA . 30705 1 21 323 CYS . 30705 1 22 324 HIS . 30705 1 23 325 VAL . 30705 1 24 326 CYS . 30705 1 25 327 GLY . 30705 1 26 328 GLY . 30705 1 27 329 ARG . 30705 1 28 330 GLU . 30705 1 29 331 ALA . 30705 1 30 332 PRO . 30705 1 31 333 GLU . 30705 1 32 334 LYS . 30705 1 33 335 GLN . 30705 1 34 336 LEU . 30705 1 35 337 LEU . 30705 1 36 338 CYS . 30705 1 37 339 ASP . 30705 1 38 340 GLU . 30705 1 39 341 CYS . 30705 1 40 342 ASP . 30705 1 41 343 MET . 30705 1 42 344 ALA . 30705 1 43 345 PHE . 30705 1 44 346 HIS . 30705 1 45 347 LEU . 30705 1 46 348 TYR . 30705 1 47 349 CYS . 30705 1 48 350 LEU . 30705 1 49 351 LYS . 30705 1 50 352 PRO . 30705 1 51 353 PRO . 30705 1 52 354 LEU . 30705 1 53 355 THR . 30705 1 54 356 SER . 30705 1 55 357 VAL . 30705 1 56 358 PRO . 30705 1 57 359 PRO . 30705 1 58 360 GLU . 30705 1 59 361 PRO . 30705 1 60 362 GLU . 30705 1 61 363 TRP . 30705 1 62 364 TYR . 30705 1 63 365 CYS . 30705 1 64 366 PRO . 30705 1 65 367 SER . 30705 1 66 368 CYS . 30705 1 67 369 ARG . 30705 1 68 370 THR . 30705 1 69 371 ASP . 30705 1 70 372 SER . 30705 1 71 373 SER . 30705 1 72 374 GLU . 30705 1 73 375 VAL . 30705 1 74 376 VAL . 30705 1 75 377 GLN . 30705 1 76 378 ALA . 30705 1 77 379 GLY . 30705 1 78 380 GLU . 30705 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 . SER 1 1 30705 1 . GLY 2 2 30705 1 . PRO 3 3 30705 1 . SER 4 4 30705 1 . CYS 5 5 30705 1 . ARG 6 6 30705 1 . PHE 7 7 30705 1 . CYS 8 8 30705 1 . LYS 9 9 30705 1 . ASP 10 10 30705 1 . ASP 11 11 30705 1 . GLU 12 12 30705 1 . ASN 13 13 30705 1 . LYS 14 14 30705 1 . PRO 15 15 30705 1 . CYS 16 16 30705 1 . ARG 17 17 30705 1 . LYS 18 18 30705 1 . CYS 19 19 30705 1 . ALA 20 20 30705 1 . CYS 21 21 30705 1 . HIS 22 22 30705 1 . VAL 23 23 30705 1 . CYS 24 24 30705 1 . GLY 25 25 30705 1 . GLY 26 26 30705 1 . ARG 27 27 30705 1 . GLU 28 28 30705 1 . ALA 29 29 30705 1 . PRO 30 30 30705 1 . GLU 31 31 30705 1 . LYS 32 32 30705 1 . GLN 33 33 30705 1 . LEU 34 34 30705 1 . LEU 35 35 30705 1 . CYS 36 36 30705 1 . ASP 37 37 30705 1 . GLU 38 38 30705 1 . CYS 39 39 30705 1 . ASP 40 40 30705 1 . MET 41 41 30705 1 . ALA 42 42 30705 1 . PHE 43 43 30705 1 . HIS 44 44 30705 1 . LEU 45 45 30705 1 . TYR 46 46 30705 1 . CYS 47 47 30705 1 . LEU 48 48 30705 1 . LYS 49 49 30705 1 . PRO 50 50 30705 1 . PRO 51 51 30705 1 . LEU 52 52 30705 1 . THR 53 53 30705 1 . SER 54 54 30705 1 . VAL 55 55 30705 1 . PRO 56 56 30705 1 . PRO 57 57 30705 1 . GLU 58 58 30705 1 . PRO 59 59 30705 1 . GLU 60 60 30705 1 . TRP 61 61 30705 1 . TYR 62 62 30705 1 . CYS 63 63 30705 1 . PRO 64 64 30705 1 . SER 65 65 30705 1 . CYS 66 66 30705 1 . ARG 67 67 30705 1 . THR 68 68 30705 1 . ASP 69 69 30705 1 . SER 70 70 30705 1 . SER 71 71 30705 1 . GLU 72 72 30705 1 . VAL 73 73 30705 1 . VAL 74 74 30705 1 . GLN 75 75 30705 1 . ALA 76 76 30705 1 . GLY 77 77 30705 1 . GLU 78 78 30705 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 30705 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _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 ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _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 30705 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 30705 2 ZN 'Three letter code' 30705 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 1 ZN $chem_comp_ZN 30705 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 30705 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . 'Uhrf1, Np95' . 30705 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 30705 _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 . . . . . . . . . . 30705 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 30705 _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 30705 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 30705 ZN [Zn++] SMILES CACTVS 3.341 30705 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 30705 ZN [Zn+2] SMILES ACDLabs 10.04 30705 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 30705 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30705 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 30705 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30705 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 . 30705 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30705 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 200 uM [U-99% 13C; U-99% 15N] PHD, 5 mM DTT, 2 mM beta-mercaptoethanol, 5 mM TCEP, 150 mM sodium chloride, 50 mM sodium phosphate, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PHD '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 30705 1 2 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 30705 1 3 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 30705 1 4 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 30705 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30705 1 6 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30705 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 30705 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 150 . mM 30705 1 pH 7.5 . pH 30705 1 pressure 1 . atm 30705 1 temperature 290 . K 30705 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30705 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 30705 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30705 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30705 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30705 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30705 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30705 _Software.ID 3 _Software.Type . _Software.Name ABACUS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lemak and Arrowsmith' . . 30705 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30705 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30705 _Software.ID 4 _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 . . 30705 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 30705 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30705 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30705 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 30705 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 II' . 800 . . . 30705 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 600 . . . 30705 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 30705 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30705 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30705 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30705 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30705 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30705 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30705 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30705 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30705 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30705 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30705 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 30705 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 TMS 'methyl protons' . . . . ppm 0 external indirect 0.2514 . . . . . 30705 1 H 1 TMS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 30705 1 N 15 TMS 'methyl protons' . . . . ppm 0 external indirect 0.10136 . . . . . 30705 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 30705 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 '2D 1H-15N HSQC' . . . 30705 1 2 '2D 1H-13C HSQC' . . . 30705 1 3 '3D HNCO' . . . 30705 1 4 '3D CBCA(CO)NH' . . . 30705 1 5 '3D HNCA' . . . 30705 1 6 '3D HCCH-TOCSY' . . . 30705 1 7 '3D 1H-15N NOESY' . . . 30705 1 8 '3D 1H-13C NOESY aromatic' . . . 30705 1 9 '3D 1H-13C NOESY aliphatic' . . . 30705 1 10 '3D HBHA(CO)NH' . . . 30705 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 SER H H 1 8.291 0.04 . 1 . . . . A 303 SER H1 . 30705 1 2 . 1 . 1 1 1 SER HA H 1 4.324 0.04 . 1 . . . . A 303 SER HA . 30705 1 3 . 1 . 1 1 1 SER HB2 H 1 3.749 0.04 . 2 . . . . A 303 SER HB2 . 30705 1 4 . 1 . 1 1 1 SER HB3 H 1 3.749 0.04 . 2 . . . . A 303 SER HB3 . 30705 1 5 . 1 . 1 1 1 SER C C 13 171.563 0.40 . 1 . . . . A 303 SER C . 30705 1 6 . 1 . 1 1 1 SER CA C 13 55.597 0.40 . 1 . . . . A 303 SER CA . 30705 1 7 . 1 . 1 1 1 SER CB C 13 61.055 0.40 . 1 . . . . A 303 SER CB . 30705 1 8 . 1 . 1 1 1 SER N N 15 117.023 0.40 . 1 . . . . A 303 SER N . 30705 1 9 . 1 . 1 2 2 GLY H H 1 8.073 0.04 . 1 . . . . A 304 GLY H . 30705 1 10 . 1 . 1 2 2 GLY HA2 H 1 3.969 0.04 . 2 . . . . A 304 GLY HA2 . 30705 1 11 . 1 . 1 2 2 GLY HA3 H 1 3.969 0.04 . 2 . . . . A 304 GLY HA3 . 30705 1 12 . 1 . 1 2 2 GLY CA C 13 41.738 0.40 . 1 . . . . A 304 GLY CA . 30705 1 13 . 1 . 1 2 2 GLY N N 15 110.544 0.40 . 1 . . . . A 304 GLY N . 30705 1 14 . 1 . 1 3 3 PRO HA H 1 4.290 0.04 . 1 . . . . A 305 PRO HA . 30705 1 15 . 1 . 1 3 3 PRO HB2 H 1 1.620 0.04 . 2 . . . . A 305 PRO HB2 . 30705 1 16 . 1 . 1 3 3 PRO HB3 H 1 1.903 0.04 . 2 . . . . A 305 PRO HB3 . 30705 1 17 . 1 . 1 3 3 PRO HG2 H 1 1.697 0.04 . 2 . . . . A 305 PRO HG2 . 30705 1 18 . 1 . 1 3 3 PRO HG3 H 1 1.777 0.04 . 2 . . . . A 305 PRO HG3 . 30705 1 19 . 1 . 1 3 3 PRO HD2 H 1 3.419 0.04 . 2 . . . . A 305 PRO HD2 . 30705 1 20 . 1 . 1 3 3 PRO HD3 H 1 3.471 0.04 . 2 . . . . A 305 PRO HD3 . 30705 1 21 . 1 . 1 3 3 PRO CA C 13 60.043 0.40 . 1 . . . . A 305 PRO CA . 30705 1 22 . 1 . 1 3 3 PRO CB C 13 28.908 0.40 . 1 . . . . A 305 PRO CB . 30705 1 23 . 1 . 1 3 3 PRO CG C 13 24.086 0.40 . 1 . . . . A 305 PRO CG . 30705 1 24 . 1 . 1 3 3 PRO CD C 13 46.845 0.40 . 1 . . . . A 305 PRO CD . 30705 1 25 . 1 . 1 4 4 SER HA H 1 4.260 0.04 . 1 . . . . A 306 SER HA . 30705 1 26 . 1 . 1 4 4 SER HB2 H 1 3.691 0.04 . 2 . . . . A 306 SER HB2 . 30705 1 27 . 1 . 1 4 4 SER HB3 H 1 3.691 0.04 . 2 . . . . A 306 SER HB3 . 30705 1 28 . 1 . 1 4 4 SER C C 13 171.610 0.40 . 1 . . . . A 306 SER C . 30705 1 29 . 1 . 1 4 4 SER CA C 13 56.366 0.40 . 1 . . . . A 306 SER CA . 30705 1 30 . 1 . 1 4 4 SER CB C 13 60.887 0.40 . 1 . . . . A 306 SER CB . 30705 1 31 . 1 . 1 5 5 CYS H H 1 8.980 0.04 . 1 . . . . A 307 CYS H . 30705 1 32 . 1 . 1 5 5 CYS HA H 1 4.453 0.04 . 1 . . . . A 307 CYS HA . 30705 1 33 . 1 . 1 5 5 CYS HB2 H 1 2.427 0.04 . 2 . . . . A 307 CYS HB2 . 30705 1 34 . 1 . 1 5 5 CYS HB3 H 1 3.136 0.04 . 2 . . . . A 307 CYS HB3 . 30705 1 35 . 1 . 1 5 5 CYS C C 13 174.275 0.40 . 1 . . . . A 307 CYS C . 30705 1 36 . 1 . 1 5 5 CYS CA C 13 55.567 0.40 . 1 . . . . A 307 CYS CA . 30705 1 37 . 1 . 1 5 5 CYS CB C 13 29.406 0.40 . 1 . . . . A 307 CYS CB . 30705 1 38 . 1 . 1 5 5 CYS N N 15 125.964 0.40 . 1 . . . . A 307 CYS N . 30705 1 39 . 1 . 1 6 6 ARG H H 1 8.808 0.04 . 1 . . . . A 308 ARG H . 30705 1 40 . 1 . 1 6 6 ARG HA H 1 3.885 0.04 . 1 . . . . A 308 ARG HA . 30705 1 41 . 1 . 1 6 6 ARG HB2 H 1 1.430 0.04 . 2 . . . . A 308 ARG HB2 . 30705 1 42 . 1 . 1 6 6 ARG HB3 H 1 1.430 0.04 . 2 . . . . A 308 ARG HB3 . 30705 1 43 . 1 . 1 6 6 ARG HG2 H 1 1.155 0.04 . 2 . . . . A 308 ARG HG2 . 30705 1 44 . 1 . 1 6 6 ARG HG3 H 1 0.665 0.04 . 2 . . . . A 308 ARG HG3 . 30705 1 45 . 1 . 1 6 6 ARG HD2 H 1 2.798 0.04 . 2 . . . . A 308 ARG HD2 . 30705 1 46 . 1 . 1 6 6 ARG HD3 H 1 2.798 0.04 . 2 . . . . A 308 ARG HD3 . 30705 1 47 . 1 . 1 6 6 ARG C C 13 173.225 0.40 . 1 . . . . A 308 ARG C . 30705 1 48 . 1 . 1 6 6 ARG CA C 13 54.486 0.40 . 1 . . . . A 308 ARG CA . 30705 1 49 . 1 . 1 6 6 ARG CB C 13 26.490 0.40 . 1 . . . . A 308 ARG CB . 30705 1 50 . 1 . 1 6 6 ARG CG C 13 23.400 0.40 . 1 . . . . A 308 ARG CG . 30705 1 51 . 1 . 1 6 6 ARG CD C 13 40.451 0.40 . 1 . . . . A 308 ARG CD . 30705 1 52 . 1 . 1 6 6 ARG N N 15 127.387 0.40 . 1 . . . . A 308 ARG N . 30705 1 53 . 1 . 1 7 7 PHE H H 1 8.943 0.04 . 1 . . . . A 309 PHE H . 30705 1 54 . 1 . 1 7 7 PHE HA H 1 4.256 0.04 . 1 . . . . A 309 PHE HA . 30705 1 55 . 1 . 1 7 7 PHE HB2 H 1 2.843 0.04 . 2 . . . . A 309 PHE HB2 . 30705 1 56 . 1 . 1 7 7 PHE HB3 H 1 3.109 0.04 . 2 . . . . A 309 PHE HB3 . 30705 1 57 . 1 . 1 7 7 PHE HD1 H 1 7.320 0.04 . 3 . . . . A 309 PHE HD1 . 30705 1 58 . 1 . 1 7 7 PHE HD2 H 1 7.320 0.04 . 3 . . . . A 309 PHE HD2 . 30705 1 59 . 1 . 1 7 7 PHE HE1 H 1 7.300 0.04 . 3 . . . . A 309 PHE HE1 . 30705 1 60 . 1 . 1 7 7 PHE HE2 H 1 7.300 0.04 . 3 . . . . A 309 PHE HE2 . 30705 1 61 . 1 . 1 7 7 PHE CA C 13 58.000 0.40 . 1 . . . . A 309 PHE CA . 30705 1 62 . 1 . 1 7 7 PHE CB C 13 36.276 0.40 . 1 . . . . A 309 PHE CB . 30705 1 63 . 1 . 1 7 7 PHE CD1 C 13 132.100 0.40 . 3 . . . . A 309 PHE CD1 . 30705 1 64 . 1 . 1 7 7 PHE CE1 C 13 131.310 0.40 . 3 . . . . A 309 PHE CE1 . 30705 1 65 . 1 . 1 7 7 PHE N N 15 121.692 0.40 . 1 . . . . A 309 PHE N . 30705 1 66 . 1 . 1 8 8 CYS H H 1 8.133 0.04 . 1 . . . . A 310 CYS H . 30705 1 67 . 1 . 1 8 8 CYS HA H 1 4.725 0.04 . 1 . . . . A 310 CYS HA . 30705 1 68 . 1 . 1 8 8 CYS HB2 H 1 2.714 0.04 . 2 . . . . A 310 CYS HB2 . 30705 1 69 . 1 . 1 8 8 CYS HB3 H 1 3.104 0.04 . 2 . . . . A 310 CYS HB3 . 30705 1 70 . 1 . 1 8 8 CYS C C 13 174.450 0.40 . 1 . . . . A 310 CYS C . 30705 1 71 . 1 . 1 8 8 CYS CA C 13 55.482 0.40 . 1 . . . . A 310 CYS CA . 30705 1 72 . 1 . 1 8 8 CYS CB C 13 28.967 0.40 . 1 . . . . A 310 CYS CB . 30705 1 73 . 1 . 1 8 8 CYS N N 15 117.051 0.40 . 1 . . . . A 310 CYS N . 30705 1 74 . 1 . 1 9 9 LYS H H 1 7.789 0.04 . 1 . . . . A 311 LYS H . 30705 1 75 . 1 . 1 9 9 LYS HA H 1 3.838 0.04 . 1 . . . . A 311 LYS HA . 30705 1 76 . 1 . 1 9 9 LYS HB2 H 1 1.780 0.04 . 2 . . . . A 311 LYS HB2 . 30705 1 77 . 1 . 1 9 9 LYS HB3 H 1 1.860 0.04 . 2 . . . . A 311 LYS HB3 . 30705 1 78 . 1 . 1 9 9 LYS HG2 H 1 1.099 0.04 . 2 . . . . A 311 LYS HG2 . 30705 1 79 . 1 . 1 9 9 LYS HG3 H 1 1.169 0.04 . 2 . . . . A 311 LYS HG3 . 30705 1 80 . 1 . 1 9 9 LYS HD2 H 1 1.460 0.04 . 2 . . . . A 311 LYS HD2 . 30705 1 81 . 1 . 1 9 9 LYS HD3 H 1 1.460 0.04 . 2 . . . . A 311 LYS HD3 . 30705 1 82 . 1 . 1 9 9 LYS HE2 H 1 2.823 0.04 . 2 . . . . A 311 LYS HE2 . 30705 1 83 . 1 . 1 9 9 LYS HE3 H 1 2.823 0.04 . 2 . . . . A 311 LYS HE3 . 30705 1 84 . 1 . 1 9 9 LYS C C 13 172.285 0.40 . 1 . . . . A 311 LYS C . 30705 1 85 . 1 . 1 9 9 LYS CA C 13 54.524 0.40 . 1 . . . . A 311 LYS CA . 30705 1 86 . 1 . 1 9 9 LYS CB C 13 26.468 0.40 . 1 . . . . A 311 LYS CB . 30705 1 87 . 1 . 1 9 9 LYS CG C 13 22.280 0.40 . 1 . . . . A 311 LYS CG . 30705 1 88 . 1 . 1 9 9 LYS CD C 13 26.186 0.40 . 1 . . . . A 311 LYS CD . 30705 1 89 . 1 . 1 9 9 LYS CE C 13 39.504 0.40 . 1 . . . . A 311 LYS CE . 30705 1 90 . 1 . 1 9 9 LYS N N 15 120.595 0.40 . 1 . . . . A 311 LYS N . 30705 1 91 . 1 . 1 10 10 ASP H H 1 8.702 0.04 . 1 . . . . A 312 ASP H . 30705 1 92 . 1 . 1 10 10 ASP HA H 1 4.150 0.04 . 1 . . . . A 312 ASP HA . 30705 1 93 . 1 . 1 10 10 ASP HB2 H 1 2.834 0.04 . 2 . . . . A 312 ASP HB2 . 30705 1 94 . 1 . 1 10 10 ASP HB3 H 1 2.834 0.04 . 2 . . . . A 312 ASP HB3 . 30705 1 95 . 1 . 1 10 10 ASP C C 13 172.197 0.40 . 1 . . . . A 312 ASP C . 30705 1 96 . 1 . 1 10 10 ASP CA C 13 51.610 0.40 . 1 . . . . A 312 ASP CA . 30705 1 97 . 1 . 1 10 10 ASP CB C 13 35.686 0.40 . 1 . . . . A 312 ASP CB . 30705 1 98 . 1 . 1 10 10 ASP N N 15 118.112 0.40 . 1 . . . . A 312 ASP N . 30705 1 99 . 1 . 1 11 11 ASP H H 1 7.159 0.04 . 1 . . . . A 313 ASP H . 30705 1 100 . 1 . 1 11 11 ASP HA H 1 4.432 0.04 . 1 . . . . A 313 ASP HA . 30705 1 101 . 1 . 1 11 11 ASP HB2 H 1 2.459 0.04 . 2 . . . . A 313 ASP HB2 . 30705 1 102 . 1 . 1 11 11 ASP HB3 H 1 2.807 0.04 . 2 . . . . A 313 ASP HB3 . 30705 1 103 . 1 . 1 11 11 ASP C C 13 173.707 0.40 . 1 . . . . A 313 ASP C . 30705 1 104 . 1 . 1 11 11 ASP CA C 13 50.888 0.40 . 1 . . . . A 313 ASP CA . 30705 1 105 . 1 . 1 11 11 ASP CB C 13 38.023 0.40 . 1 . . . . A 313 ASP CB . 30705 1 106 . 1 . 1 11 11 ASP N N 15 118.965 0.40 . 1 . . . . A 313 ASP N . 30705 1 107 . 1 . 1 12 12 GLU H H 1 8.600 0.04 . 1 . . . . A 314 GLU H . 30705 1 108 . 1 . 1 12 12 GLU HA H 1 3.854 0.04 . 1 . . . . A 314 GLU HA . 30705 1 109 . 1 . 1 12 12 GLU HB2 H 1 1.956 0.04 . 2 . . . . A 314 GLU HB2 . 30705 1 110 . 1 . 1 12 12 GLU HB3 H 1 1.862 0.04 . 2 . . . . A 314 GLU HB3 . 30705 1 111 . 1 . 1 12 12 GLU HG2 H 1 2.138 0.04 . 2 . . . . A 314 GLU HG2 . 30705 1 112 . 1 . 1 12 12 GLU HG3 H 1 2.058 0.04 . 2 . . . . A 314 GLU HG3 . 30705 1 113 . 1 . 1 12 12 GLU C C 13 173.991 0.40 . 1 . . . . A 314 GLU C . 30705 1 114 . 1 . 1 12 12 GLU CA C 13 54.986 0.40 . 1 . . . . A 314 GLU CA . 30705 1 115 . 1 . 1 12 12 GLU CB C 13 26.524 0.40 . 1 . . . . A 314 GLU CB . 30705 1 116 . 1 . 1 12 12 GLU CG C 13 33.484 0.40 . 1 . . . . A 314 GLU CG . 30705 1 117 . 1 . 1 12 12 GLU N N 15 125.174 0.40 . 1 . . . . A 314 GLU N . 30705 1 118 . 1 . 1 13 13 ASN H H 1 8.479 0.04 . 1 . . . . A 315 ASN H . 30705 1 119 . 1 . 1 13 13 ASN HA H 1 4.531 0.04 . 1 . . . . A 315 ASN HA . 30705 1 120 . 1 . 1 13 13 ASN HB2 H 1 2.713 0.04 . 2 . . . . A 315 ASN HB2 . 30705 1 121 . 1 . 1 13 13 ASN HB3 H 1 2.713 0.04 . 2 . . . . A 315 ASN HB3 . 30705 1 122 . 1 . 1 13 13 ASN HD21 H 1 6.915 0.04 . 2 . . . . A 315 ASN HD21 . 30705 1 123 . 1 . 1 13 13 ASN HD22 H 1 7.822 0.04 . 2 . . . . A 315 ASN HD22 . 30705 1 124 . 1 . 1 13 13 ASN C C 13 171.979 0.40 . 1 . . . . A 315 ASN C . 30705 1 125 . 1 . 1 13 13 ASN CA C 13 51.108 0.40 . 1 . . . . A 315 ASN CA . 30705 1 126 . 1 . 1 13 13 ASN CB C 13 36.311 0.40 . 1 . . . . A 315 ASN CB . 30705 1 127 . 1 . 1 13 13 ASN N N 15 116.307 0.40 . 1 . . . . A 315 ASN N . 30705 1 128 . 1 . 1 13 13 ASN ND2 N 15 115.382 0.40 . 1 . . . . A 315 ASN ND2 . 30705 1 129 . 1 . 1 14 14 LYS H H 1 7.734 0.04 . 1 . . . . A 316 LYS H . 30705 1 130 . 1 . 1 14 14 LYS HA H 1 4.641 0.04 . 1 . . . . A 316 LYS HA . 30705 1 131 . 1 . 1 14 14 LYS HB2 H 1 1.636 0.04 . 2 . . . . A 316 LYS HB2 . 30705 1 132 . 1 . 1 14 14 LYS HB3 H 1 1.760 0.04 . 2 . . . . A 316 LYS HB3 . 30705 1 133 . 1 . 1 14 14 LYS HG2 H 1 1.243 0.04 . 2 . . . . A 316 LYS HG2 . 30705 1 134 . 1 . 1 14 14 LYS HG3 H 1 1.311 0.04 . 2 . . . . A 316 LYS HG3 . 30705 1 135 . 1 . 1 14 14 LYS HD2 H 1 1.592 0.04 . 2 . . . . A 316 LYS HD2 . 30705 1 136 . 1 . 1 14 14 LYS HD3 H 1 1.592 0.04 . 2 . . . . A 316 LYS HD3 . 30705 1 137 . 1 . 1 14 14 LYS HE2 H 1 2.896 0.04 . 2 . . . . A 316 LYS HE2 . 30705 1 138 . 1 . 1 14 14 LYS HE3 H 1 2.896 0.04 . 2 . . . . A 316 LYS HE3 . 30705 1 139 . 1 . 1 14 14 LYS CA C 13 50.563 0.40 . 1 . . . . A 316 LYS CA . 30705 1 140 . 1 . 1 14 14 LYS CB C 13 31.154 0.40 . 1 . . . . A 316 LYS CB . 30705 1 141 . 1 . 1 14 14 LYS CG C 13 21.779 0.40 . 1 . . . . A 316 LYS CG . 30705 1 142 . 1 . 1 14 14 LYS CD C 13 26.701 0.40 . 1 . . . . A 316 LYS CD . 30705 1 143 . 1 . 1 14 14 LYS CE C 13 39.477 0.40 . 1 . . . . A 316 LYS CE . 30705 1 144 . 1 . 1 14 14 LYS N N 15 121.675 0.40 . 1 . . . . A 316 LYS N . 30705 1 145 . 1 . 1 15 15 PRO HA H 1 4.358 0.04 . 1 . . . . A 317 PRO HA . 30705 1 146 . 1 . 1 15 15 PRO HB2 H 1 1.740 0.04 . 2 . . . . A 317 PRO HB2 . 30705 1 147 . 1 . 1 15 15 PRO HB3 H 1 2.024 0.04 . 2 . . . . A 317 PRO HB3 . 30705 1 148 . 1 . 1 15 15 PRO HG2 H 1 1.895 0.04 . 2 . . . . A 317 PRO HG2 . 30705 1 149 . 1 . 1 15 15 PRO HG3 H 1 1.895 0.04 . 2 . . . . A 317 PRO HG3 . 30705 1 150 . 1 . 1 15 15 PRO HD2 H 1 3.511 0.04 . 2 . . . . A 317 PRO HD2 . 30705 1 151 . 1 . 1 15 15 PRO HD3 H 1 3.689 0.04 . 2 . . . . A 317 PRO HD3 . 30705 1 152 . 1 . 1 15 15 PRO C C 13 173.597 0.40 . 1 . . . . A 317 PRO C . 30705 1 153 . 1 . 1 15 15 PRO CA C 13 59.743 0.40 . 1 . . . . A 317 PRO CA . 30705 1 154 . 1 . 1 15 15 PRO CB C 13 28.798 0.40 . 1 . . . . A 317 PRO CB . 30705 1 155 . 1 . 1 15 15 PRO CG C 13 24.617 0.40 . 1 . . . . A 317 PRO CG . 30705 1 156 . 1 . 1 15 15 PRO CD C 13 47.703 0.40 . 1 . . . . A 317 PRO CD . 30705 1 157 . 1 . 1 16 16 CYS H H 1 8.471 0.04 . 1 . . . . A 318 CYS H . 30705 1 158 . 1 . 1 16 16 CYS HA H 1 4.261 0.04 . 1 . . . . A 318 CYS HA . 30705 1 159 . 1 . 1 16 16 CYS HB2 H 1 2.401 0.04 . 2 . . . . A 318 CYS HB2 . 30705 1 160 . 1 . 1 16 16 CYS HB3 H 1 2.835 0.04 . 2 . . . . A 318 CYS HB3 . 30705 1 161 . 1 . 1 16 16 CYS C C 13 172.504 0.40 . 1 . . . . A 318 CYS C . 30705 1 162 . 1 . 1 16 16 CYS CA C 13 57.126 0.40 . 1 . . . . A 318 CYS CA . 30705 1 163 . 1 . 1 16 16 CYS CB C 13 29.898 0.40 . 1 . . . . A 318 CYS CB . 30705 1 164 . 1 . 1 16 16 CYS N N 15 124.278 0.40 . 1 . . . . A 318 CYS N . 30705 1 165 . 1 . 1 17 17 ARG H H 1 8.732 0.04 . 1 . . . . A 319 ARG H . 30705 1 166 . 1 . 1 17 17 ARG HA H 1 4.341 0.04 . 1 . . . . A 319 ARG HA . 30705 1 167 . 1 . 1 17 17 ARG HB2 H 1 1.523 0.04 . 2 . . . . A 319 ARG HB2 . 30705 1 168 . 1 . 1 17 17 ARG HB3 H 1 1.815 0.04 . 2 . . . . A 319 ARG HB3 . 30705 1 169 . 1 . 1 17 17 ARG HG2 H 1 1.344 0.04 . 2 . . . . A 319 ARG HG2 . 30705 1 170 . 1 . 1 17 17 ARG HG3 H 1 1.449 0.04 . 2 . . . . A 319 ARG HG3 . 30705 1 171 . 1 . 1 17 17 ARG HD2 H 1 2.947 0.04 . 2 . . . . A 319 ARG HD2 . 30705 1 172 . 1 . 1 17 17 ARG HD3 H 1 2.947 0.04 . 2 . . . . A 319 ARG HD3 . 30705 1 173 . 1 . 1 17 17 ARG C C 13 173.335 0.40 . 1 . . . . A 319 ARG C . 30705 1 174 . 1 . 1 17 17 ARG CA C 13 53.683 0.40 . 1 . . . . A 319 ARG CA . 30705 1 175 . 1 . 1 17 17 ARG CB C 13 27.387 0.40 . 1 . . . . A 319 ARG CB . 30705 1 176 . 1 . 1 17 17 ARG CG C 13 24.870 0.40 . 1 . . . . A 319 ARG CG . 30705 1 177 . 1 . 1 17 17 ARG CD C 13 40.689 0.40 . 1 . . . . A 319 ARG CD . 30705 1 178 . 1 . 1 17 17 ARG N N 15 126.375 0.40 . 1 . . . . A 319 ARG N . 30705 1 179 . 1 . 1 18 18 LYS H H 1 8.907 0.04 . 1 . . . . A 320 LYS H . 30705 1 180 . 1 . 1 18 18 LYS HA H 1 4.185 0.04 . 1 . . . . A 320 LYS HA . 30705 1 181 . 1 . 1 18 18 LYS HB2 H 1 1.591 0.04 . 2 . . . . A 320 LYS HB2 . 30705 1 182 . 1 . 1 18 18 LYS HB3 H 1 1.591 0.04 . 2 . . . . A 320 LYS HB3 . 30705 1 183 . 1 . 1 18 18 LYS HG2 H 1 0.552 0.04 . 2 . . . . A 320 LYS HG2 . 30705 1 184 . 1 . 1 18 18 LYS HG3 H 1 0.962 0.04 . 2 . . . . A 320 LYS HG3 . 30705 1 185 . 1 . 1 18 18 LYS HD2 H 1 1.003 0.04 . 2 . . . . A 320 LYS HD2 . 30705 1 186 . 1 . 1 18 18 LYS HD3 H 1 1.171 0.04 . 2 . . . . A 320 LYS HD3 . 30705 1 187 . 1 . 1 18 18 LYS HE2 H 1 2.208 0.04 . 2 . . . . A 320 LYS HE2 . 30705 1 188 . 1 . 1 18 18 LYS HE3 H 1 2.288 0.04 . 2 . . . . A 320 LYS HE3 . 30705 1 189 . 1 . 1 18 18 LYS CA C 13 54.214 0.40 . 1 . . . . A 320 LYS CA . 30705 1 190 . 1 . 1 18 18 LYS CB C 13 29.956 0.40 . 1 . . . . A 320 LYS CB . 30705 1 191 . 1 . 1 18 18 LYS CG C 13 21.280 0.40 . 1 . . . . A 320 LYS CG . 30705 1 192 . 1 . 1 18 18 LYS CD C 13 25.270 0.40 . 1 . . . . A 320 LYS CD . 30705 1 193 . 1 . 1 18 18 LYS CE C 13 38.999 0.40 . 1 . . . . A 320 LYS CE . 30705 1 194 . 1 . 1 18 18 LYS N N 15 121.002 0.40 . 1 . . . . A 320 LYS N . 30705 1 195 . 1 . 1 19 19 CYS H H 1 7.666 0.04 . 1 . . . . A 321 CYS H . 30705 1 196 . 1 . 1 19 19 CYS HA H 1 4.695 0.04 . 1 . . . . A 321 CYS HA . 30705 1 197 . 1 . 1 19 19 CYS HB2 H 1 2.640 0.04 . 2 . . . . A 321 CYS HB2 . 30705 1 198 . 1 . 1 19 19 CYS HB3 H 1 3.040 0.04 . 2 . . . . A 321 CYS HB3 . 30705 1 199 . 1 . 1 19 19 CYS CA C 13 55.078 0.40 . 1 . . . . A 321 CYS CA . 30705 1 200 . 1 . 1 19 19 CYS CB C 13 28.838 0.40 . 1 . . . . A 321 CYS CB . 30705 1 201 . 1 . 1 19 19 CYS N N 15 115.212 0.40 . 1 . . . . A 321 CYS N . 30705 1 202 . 1 . 1 20 20 ALA H H 1 6.808 0.04 . 1 . . . . A 322 ALA H . 30705 1 203 . 1 . 1 20 20 ALA HA H 1 4.352 0.04 . 1 . . . . A 322 ALA HA . 30705 1 204 . 1 . 1 20 20 ALA HB1 H 1 1.062 0.04 . 1 . . . . A 322 ALA HB1 . 30705 1 205 . 1 . 1 20 20 ALA HB2 H 1 1.062 0.04 . 1 . . . . A 322 ALA HB2 . 30705 1 206 . 1 . 1 20 20 ALA HB3 H 1 1.062 0.04 . 1 . . . . A 322 ALA HB3 . 30705 1 207 . 1 . 1 20 20 ALA CA C 13 47.077 0.40 . 1 . . . . A 322 ALA CA . 30705 1 208 . 1 . 1 20 20 ALA CB C 13 17.140 0.40 . 1 . . . . A 322 ALA CB . 30705 1 209 . 1 . 1 20 20 ALA N N 15 126.415 0.40 . 1 . . . . A 322 ALA N . 30705 1 210 . 1 . 1 21 21 CYS H H 1 7.460 0.04 . 1 . . . . A 323 CYS H . 30705 1 211 . 1 . 1 21 21 CYS HA H 1 3.450 0.04 . 1 . . . . A 323 CYS HA . 30705 1 212 . 1 . 1 21 21 CYS HB2 H 1 1.420 0.04 . 2 . . . . A 323 CYS HB2 . 30705 1 213 . 1 . 1 21 21 CYS HB3 H 1 2.998 0.04 . 2 . . . . A 323 CYS HB3 . 30705 1 214 . 1 . 1 21 21 CYS C C 13 175.085 0.40 . 1 . . . . A 323 CYS C . 30705 1 215 . 1 . 1 21 21 CYS CA C 13 56.208 0.40 . 1 . . . . A 323 CYS CA . 30705 1 216 . 1 . 1 21 21 CYS CB C 13 27.937 0.40 . 1 . . . . A 323 CYS CB . 30705 1 217 . 1 . 1 21 21 CYS N N 15 121.103 0.40 . 1 . . . . A 323 CYS N . 30705 1 218 . 1 . 1 22 22 HIS H H 1 9.491 0.04 . 1 . . . . A 324 HIS H . 30705 1 219 . 1 . 1 22 22 HIS HA H 1 4.301 0.04 . 1 . . . . A 324 HIS HA . 30705 1 220 . 1 . 1 22 22 HIS HB2 H 1 2.046 0.04 . 2 . . . . A 324 HIS HB2 . 30705 1 221 . 1 . 1 22 22 HIS HB3 H 1 2.813 0.04 . 2 . . . . A 324 HIS HB3 . 30705 1 222 . 1 . 1 22 22 HIS C C 13 172.175 0.40 . 1 . . . . A 324 HIS C . 30705 1 223 . 1 . 1 22 22 HIS CA C 13 54.323 0.40 . 1 . . . . A 324 HIS CA . 30705 1 224 . 1 . 1 22 22 HIS CB C 13 26.615 0.40 . 1 . . . . A 324 HIS CB . 30705 1 225 . 1 . 1 22 22 HIS N N 15 128.648 0.40 . 1 . . . . A 324 HIS N . 30705 1 226 . 1 . 1 23 23 VAL H H 1 8.774 0.04 . 1 . . . . A 325 VAL H . 30705 1 227 . 1 . 1 23 23 VAL HA H 1 3.749 0.04 . 1 . . . . A 325 VAL HA . 30705 1 228 . 1 . 1 23 23 VAL HB H 1 2.048 0.04 . 1 . . . . A 325 VAL HB . 30705 1 229 . 1 . 1 23 23 VAL HG11 H 1 1.166 0.04 . 2 . . . . A 325 VAL HG11 . 30705 1 230 . 1 . 1 23 23 VAL HG12 H 1 1.166 0.04 . 2 . . . . A 325 VAL HG12 . 30705 1 231 . 1 . 1 23 23 VAL HG13 H 1 1.166 0.04 . 2 . . . . A 325 VAL HG13 . 30705 1 232 . 1 . 1 23 23 VAL HG21 H 1 1.001 0.04 . 2 . . . . A 325 VAL HG21 . 30705 1 233 . 1 . 1 23 23 VAL HG22 H 1 1.001 0.04 . 2 . . . . A 325 VAL HG22 . 30705 1 234 . 1 . 1 23 23 VAL HG23 H 1 1.001 0.04 . 2 . . . . A 325 VAL HG23 . 30705 1 235 . 1 . 1 23 23 VAL CA C 13 62.258 0.40 . 1 . . . . A 325 VAL CA . 30705 1 236 . 1 . 1 23 23 VAL CB C 13 30.336 0.40 . 1 . . . . A 325 VAL CB . 30705 1 237 . 1 . 1 23 23 VAL CG1 C 13 18.937 0.40 . 2 . . . . A 325 VAL CG1 . 30705 1 238 . 1 . 1 23 23 VAL CG2 C 13 17.603 0.40 . 2 . . . . A 325 VAL CG2 . 30705 1 239 . 1 . 1 23 23 VAL N N 15 119.647 0.40 . 1 . . . . A 325 VAL N . 30705 1 240 . 1 . 1 24 24 CYS H H 1 8.010 0.04 . 1 . . . . A 326 CYS H . 30705 1 241 . 1 . 1 24 24 CYS HA H 1 4.872 0.04 . 1 . . . . A 326 CYS HA . 30705 1 242 . 1 . 1 24 24 CYS HB2 H 1 2.979 0.04 . 2 . . . . A 326 CYS HB2 . 30705 1 243 . 1 . 1 24 24 CYS HB3 H 1 3.267 0.04 . 2 . . . . A 326 CYS HB3 . 30705 1 244 . 1 . 1 24 24 CYS C C 13 174.254 0.40 . 1 . . . . A 326 CYS C . 30705 1 245 . 1 . 1 24 24 CYS CA C 13 55.870 0.40 . 1 . . . . A 326 CYS CA . 30705 1 246 . 1 . 1 24 24 CYS CB C 13 29.323 0.40 . 1 . . . . A 326 CYS CB . 30705 1 247 . 1 . 1 24 24 CYS N N 15 116.839 0.40 . 1 . . . . A 326 CYS N . 30705 1 248 . 1 . 1 25 25 GLY H H 1 8.226 0.04 . 1 . . . . A 327 GLY H . 30705 1 249 . 1 . 1 25 25 GLY HA2 H 1 3.618 0.04 . 2 . . . . A 327 GLY HA2 . 30705 1 250 . 1 . 1 25 25 GLY HA3 H 1 3.866 0.04 . 2 . . . . A 327 GLY HA3 . 30705 1 251 . 1 . 1 25 25 GLY C C 13 170.119 0.40 . 1 . . . . A 327 GLY C . 30705 1 252 . 1 . 1 25 25 GLY CA C 13 42.975 0.40 . 1 . . . . A 327 GLY CA . 30705 1 253 . 1 . 1 25 25 GLY N N 15 115.569 0.40 . 1 . . . . A 327 GLY N . 30705 1 254 . 1 . 1 26 26 GLY H H 1 9.459 0.04 . 1 . . . . A 328 GLY H . 30705 1 255 . 1 . 1 26 26 GLY HA2 H 1 4.065 0.04 . 2 . . . . A 328 GLY HA2 . 30705 1 256 . 1 . 1 26 26 GLY HA3 H 1 4.065 0.04 . 2 . . . . A 328 GLY HA3 . 30705 1 257 . 1 . 1 26 26 GLY C C 13 171.169 0.40 . 1 . . . . A 328 GLY C . 30705 1 258 . 1 . 1 26 26 GLY CA C 13 42.138 0.40 . 1 . . . . A 328 GLY CA . 30705 1 259 . 1 . 1 26 26 GLY N N 15 112.896 0.40 . 1 . . . . A 328 GLY N . 30705 1 260 . 1 . 1 27 27 ARG H H 1 8.524 0.04 . 1 . . . . A 329 ARG H . 30705 1 261 . 1 . 1 27 27 ARG HA H 1 4.540 0.04 . 1 . . . . A 329 ARG HA . 30705 1 262 . 1 . 1 27 27 ARG HB2 H 1 1.401 0.04 . 2 . . . . A 329 ARG HB2 . 30705 1 263 . 1 . 1 27 27 ARG HB3 H 1 1.914 0.04 . 2 . . . . A 329 ARG HB3 . 30705 1 264 . 1 . 1 27 27 ARG HG2 H 1 1.488 0.04 . 2 . . . . A 329 ARG HG2 . 30705 1 265 . 1 . 1 27 27 ARG HG3 H 1 1.488 0.04 . 2 . . . . A 329 ARG HG3 . 30705 1 266 . 1 . 1 27 27 ARG HD2 H 1 3.025 0.04 . 2 . . . . A 329 ARG HD2 . 30705 1 267 . 1 . 1 27 27 ARG HD3 H 1 3.115 0.04 . 2 . . . . A 329 ARG HD3 . 30705 1 268 . 1 . 1 27 27 ARG C C 13 174.319 0.40 . 1 . . . . A 329 ARG C . 30705 1 269 . 1 . 1 27 27 ARG CA C 13 52.158 0.40 . 1 . . . . A 329 ARG CA . 30705 1 270 . 1 . 1 27 27 ARG CB C 13 28.290 0.40 . 1 . . . . A 329 ARG CB . 30705 1 271 . 1 . 1 27 27 ARG CG C 13 25.434 0.40 . 1 . . . . A 329 ARG CG . 30705 1 272 . 1 . 1 27 27 ARG CD C 13 40.879 0.40 . 1 . . . . A 329 ARG CD . 30705 1 273 . 1 . 1 27 27 ARG N N 15 119.553 0.40 . 1 . . . . A 329 ARG N . 30705 1 274 . 1 . 1 28 28 GLU H H 1 9.349 0.04 . 1 . . . . A 330 GLU H . 30705 1 275 . 1 . 1 28 28 GLU HA H 1 4.154 0.04 . 1 . . . . A 330 GLU HA . 30705 1 276 . 1 . 1 28 28 GLU HB2 H 1 1.903 0.04 . 2 . . . . A 330 GLU HB2 . 30705 1 277 . 1 . 1 28 28 GLU HB3 H 1 2.029 0.04 . 2 . . . . A 330 GLU HB3 . 30705 1 278 . 1 . 1 28 28 GLU HG2 H 1 2.050 0.04 . 2 . . . . A 330 GLU HG2 . 30705 1 279 . 1 . 1 28 28 GLU HG3 H 1 2.264 0.04 . 2 . . . . A 330 GLU HG3 . 30705 1 280 . 1 . 1 28 28 GLU C C 13 172.613 0.40 . 1 . . . . A 330 GLU C . 30705 1 281 . 1 . 1 28 28 GLU CA C 13 53.574 0.40 . 1 . . . . A 330 GLU CA . 30705 1 282 . 1 . 1 28 28 GLU CB C 13 25.825 0.40 . 1 . . . . A 330 GLU CB . 30705 1 283 . 1 . 1 28 28 GLU CG C 13 32.572 0.40 . 1 . . . . A 330 GLU CG . 30705 1 284 . 1 . 1 28 28 GLU N N 15 122.093 0.40 . 1 . . . . A 330 GLU N . 30705 1 285 . 1 . 1 29 29 ALA H H 1 9.040 0.04 . 1 . . . . A 331 ALA H . 30705 1 286 . 1 . 1 29 29 ALA HA H 1 4.282 0.04 . 1 . . . . A 331 ALA HA . 30705 1 287 . 1 . 1 29 29 ALA HB1 H 1 1.354 0.04 . 1 . . . . A 331 ALA HB1 . 30705 1 288 . 1 . 1 29 29 ALA HB2 H 1 1.354 0.04 . 1 . . . . A 331 ALA HB2 . 30705 1 289 . 1 . 1 29 29 ALA HB3 H 1 1.354 0.04 . 1 . . . . A 331 ALA HB3 . 30705 1 290 . 1 . 1 29 29 ALA CA C 13 49.310 0.40 . 1 . . . . A 331 ALA CA . 30705 1 291 . 1 . 1 29 29 ALA CB C 13 15.560 0.40 . 1 . . . . A 331 ALA CB . 30705 1 292 . 1 . 1 29 29 ALA N N 15 121.277 0.40 . 1 . . . . A 331 ALA N . 30705 1 293 . 1 . 1 30 30 PRO HA H 1 3.875 0.04 . 1 . . . . A 332 PRO HA . 30705 1 294 . 1 . 1 30 30 PRO HB2 H 1 1.820 0.04 . 2 . . . . A 332 PRO HB2 . 30705 1 295 . 1 . 1 30 30 PRO HB3 H 1 2.131 0.04 . 2 . . . . A 332 PRO HB3 . 30705 1 296 . 1 . 1 30 30 PRO HG2 H 1 1.929 0.04 . 2 . . . . A 332 PRO HG2 . 30705 1 297 . 1 . 1 30 30 PRO HG3 H 1 1.929 0.04 . 2 . . . . A 332 PRO HG3 . 30705 1 298 . 1 . 1 30 30 PRO HD2 H 1 3.562 0.04 . 2 . . . . A 332 PRO HD2 . 30705 1 299 . 1 . 1 30 30 PRO HD3 H 1 3.752 0.04 . 2 . . . . A 332 PRO HD3 . 30705 1 300 . 1 . 1 30 30 PRO C C 13 176.069 0.40 . 1 . . . . A 332 PRO C . 30705 1 301 . 1 . 1 30 30 PRO CA C 13 62.487 0.40 . 1 . . . . A 332 PRO CA . 30705 1 302 . 1 . 1 30 30 PRO CB C 13 27.965 0.40 . 1 . . . . A 332 PRO CB . 30705 1 303 . 1 . 1 30 30 PRO CG C 13 24.985 0.40 . 1 . . . . A 332 PRO CG . 30705 1 304 . 1 . 1 30 30 PRO CD C 13 47.349 0.40 . 1 . . . . A 332 PRO CD . 30705 1 305 . 1 . 1 31 31 GLU H H 1 9.705 0.04 . 1 . . . . A 333 GLU H . 30705 1 306 . 1 . 1 31 31 GLU HA H 1 4.249 0.04 . 1 . . . . A 333 GLU HA . 30705 1 307 . 1 . 1 31 31 GLU HB2 H 1 1.967 0.04 . 2 . . . . A 333 GLU HB2 . 30705 1 308 . 1 . 1 31 31 GLU HB3 H 1 1.967 0.04 . 2 . . . . A 333 GLU HB3 . 30705 1 309 . 1 . 1 31 31 GLU HG2 H 1 2.009 0.04 . 2 . . . . A 333 GLU HG2 . 30705 1 310 . 1 . 1 31 31 GLU HG3 H 1 2.360 0.04 . 2 . . . . A 333 GLU HG3 . 30705 1 311 . 1 . 1 31 31 GLU C C 13 174.713 0.40 . 1 . . . . A 333 GLU C . 30705 1 312 . 1 . 1 31 31 GLU CA C 13 55.231 0.40 . 1 . . . . A 333 GLU CA . 30705 1 313 . 1 . 1 31 31 GLU CB C 13 24.511 0.40 . 1 . . . . A 333 GLU CB . 30705 1 314 . 1 . 1 31 31 GLU CG C 13 33.062 0.40 . 1 . . . . A 333 GLU CG . 30705 1 315 . 1 . 1 31 31 GLU N N 15 118.362 0.40 . 1 . . . . A 333 GLU N . 30705 1 316 . 1 . 1 32 32 LYS H H 1 8.300 0.04 . 1 . . . . A 334 LYS H . 30705 1 317 . 1 . 1 32 32 LYS HA H 1 4.295 0.04 . 1 . . . . A 334 LYS HA . 30705 1 318 . 1 . 1 32 32 LYS HB2 H 1 1.918 0.04 . 2 . . . . A 334 LYS HB2 . 30705 1 319 . 1 . 1 32 32 LYS HB3 H 1 2.164 0.04 . 2 . . . . A 334 LYS HB3 . 30705 1 320 . 1 . 1 32 32 LYS HG2 H 1 1.241 0.04 . 2 . . . . A 334 LYS HG2 . 30705 1 321 . 1 . 1 32 32 LYS HG3 H 1 1.424 0.04 . 2 . . . . A 334 LYS HG3 . 30705 1 322 . 1 . 1 32 32 LYS HE2 H 1 2.938 0.04 . 2 . . . . A 334 LYS HE2 . 30705 1 323 . 1 . 1 32 32 LYS HE3 H 1 2.938 0.04 . 2 . . . . A 334 LYS HE3 . 30705 1 324 . 1 . 1 32 32 LYS C C 13 171.279 0.40 . 1 . . . . A 334 LYS C . 30705 1 325 . 1 . 1 32 32 LYS CA C 13 51.801 0.40 . 1 . . . . A 334 LYS CA . 30705 1 326 . 1 . 1 32 32 LYS CB C 13 29.980 0.40 . 1 . . . . A 334 LYS CB . 30705 1 327 . 1 . 1 32 32 LYS CG C 13 23.202 0.40 . 1 . . . . A 334 LYS CG . 30705 1 328 . 1 . 1 32 32 LYS CD C 13 27.102 0.40 . 1 . . . . A 334 LYS CD . 30705 1 329 . 1 . 1 32 32 LYS CE C 13 39.502 0.40 . 1 . . . . A 334 LYS CE . 30705 1 330 . 1 . 1 32 32 LYS N N 15 121.041 0.40 . 1 . . . . A 334 LYS N . 30705 1 331 . 1 . 1 33 33 GLN H H 1 7.155 0.04 . 1 . . . . A 335 GLN H . 30705 1 332 . 1 . 1 33 33 GLN HA H 1 4.750 0.04 . 1 . . . . A 335 GLN HA . 30705 1 333 . 1 . 1 33 33 GLN HB2 H 1 1.821 0.04 . 2 . . . . A 335 GLN HB2 . 30705 1 334 . 1 . 1 33 33 GLN HB3 H 1 1.821 0.04 . 2 . . . . A 335 GLN HB3 . 30705 1 335 . 1 . 1 33 33 GLN HG2 H 1 1.199 0.04 . 2 . . . . A 335 GLN HG2 . 30705 1 336 . 1 . 1 33 33 GLN HG3 H 1 2.317 0.04 . 2 . . . . A 335 GLN HG3 . 30705 1 337 . 1 . 1 33 33 GLN C C 13 172.132 0.40 . 1 . . . . A 335 GLN C . 30705 1 338 . 1 . 1 33 33 GLN CA C 13 51.845 0.40 . 1 . . . . A 335 GLN CA . 30705 1 339 . 1 . 1 33 33 GLN CB C 13 27.258 0.40 . 1 . . . . A 335 GLN CB . 30705 1 340 . 1 . 1 33 33 GLN CG C 13 31.767 0.40 . 1 . . . . A 335 GLN CG . 30705 1 341 . 1 . 1 33 33 GLN N N 15 117.868 0.40 . 1 . . . . A 335 GLN N . 30705 1 342 . 1 . 1 34 34 LEU H H 1 8.487 0.04 . 1 . . . . A 336 LEU H . 30705 1 343 . 1 . 1 34 34 LEU HA H 1 4.195 0.04 . 1 . . . . A 336 LEU HA . 30705 1 344 . 1 . 1 34 34 LEU HB2 H 1 0.366 0.04 . 2 . . . . A 336 LEU HB2 . 30705 1 345 . 1 . 1 34 34 LEU HB3 H 1 0.462 0.04 . 2 . . . . A 336 LEU HB3 . 30705 1 346 . 1 . 1 34 34 LEU HG H 1 0.739 0.04 . 1 . . . . A 336 LEU HG . 30705 1 347 . 1 . 1 34 34 LEU HD11 H 1 0.012 0.04 . 2 . . . . A 336 LEU HD11 . 30705 1 348 . 1 . 1 34 34 LEU HD12 H 1 0.012 0.04 . 2 . . . . A 336 LEU HD12 . 30705 1 349 . 1 . 1 34 34 LEU HD13 H 1 0.012 0.04 . 2 . . . . A 336 LEU HD13 . 30705 1 350 . 1 . 1 34 34 LEU HD21 H 1 -0.517 0.04 . 2 . . . . A 336 LEU HD21 . 30705 1 351 . 1 . 1 34 34 LEU HD22 H 1 -0.517 0.04 . 2 . . . . A 336 LEU HD22 . 30705 1 352 . 1 . 1 34 34 LEU HD23 H 1 -0.517 0.04 . 2 . . . . A 336 LEU HD23 . 30705 1 353 . 1 . 1 34 34 LEU C C 13 171.957 0.40 . 1 . . . . A 336 LEU C . 30705 1 354 . 1 . 1 34 34 LEU CA C 13 50.324 0.40 . 1 . . . . A 336 LEU CA . 30705 1 355 . 1 . 1 34 34 LEU CB C 13 41.334 0.40 . 1 . . . . A 336 LEU CB . 30705 1 356 . 1 . 1 34 34 LEU CG C 13 23.378 0.40 . 1 . . . . A 336 LEU CG . 30705 1 357 . 1 . 1 34 34 LEU CD1 C 13 20.763 0.40 . 2 . . . . A 336 LEU CD1 . 30705 1 358 . 1 . 1 34 34 LEU CD2 C 13 21.498 0.40 . 2 . . . . A 336 LEU CD2 . 30705 1 359 . 1 . 1 34 34 LEU N N 15 123.974 0.40 . 1 . . . . A 336 LEU N . 30705 1 360 . 1 . 1 35 35 LEU H H 1 8.069 0.04 . 1 . . . . A 337 LEU H . 30705 1 361 . 1 . 1 35 35 LEU HA H 1 5.009 0.04 . 1 . . . . A 337 LEU HA . 30705 1 362 . 1 . 1 35 35 LEU HB2 H 1 1.295 0.04 . 2 . . . . A 337 LEU HB2 . 30705 1 363 . 1 . 1 35 35 LEU HB3 H 1 1.295 0.04 . 2 . . . . A 337 LEU HB3 . 30705 1 364 . 1 . 1 35 35 LEU HG H 1 1.303 0.04 . 1 . . . . A 337 LEU HG . 30705 1 365 . 1 . 1 35 35 LEU HD11 H 1 0.635 0.04 . 2 . . . . A 337 LEU HD11 . 30705 1 366 . 1 . 1 35 35 LEU HD12 H 1 0.635 0.04 . 2 . . . . A 337 LEU HD12 . 30705 1 367 . 1 . 1 35 35 LEU HD13 H 1 0.635 0.04 . 2 . . . . A 337 LEU HD13 . 30705 1 368 . 1 . 1 35 35 LEU HD21 H 1 0.624 0.04 . 2 . . . . A 337 LEU HD21 . 30705 1 369 . 1 . 1 35 35 LEU HD22 H 1 0.624 0.04 . 2 . . . . A 337 LEU HD22 . 30705 1 370 . 1 . 1 35 35 LEU HD23 H 1 0.624 0.04 . 2 . . . . A 337 LEU HD23 . 30705 1 371 . 1 . 1 35 35 LEU C C 13 173.808 0.40 . 1 . . . . A 337 LEU C . 30705 1 372 . 1 . 1 35 35 LEU CA C 13 50.226 0.40 . 1 . . . . A 337 LEU CA . 30705 1 373 . 1 . 1 35 35 LEU CB C 13 41.231 0.40 . 1 . . . . A 337 LEU CB . 30705 1 374 . 1 . 1 35 35 LEU CG C 13 24.930 0.40 . 1 . . . . A 337 LEU CG . 30705 1 375 . 1 . 1 35 35 LEU CD1 C 13 21.975 0.40 . 2 . . . . A 337 LEU CD1 . 30705 1 376 . 1 . 1 35 35 LEU CD2 C 13 21.444 0.40 . 2 . . . . A 337 LEU CD2 . 30705 1 377 . 1 . 1 35 35 LEU N N 15 122.464 0.40 . 1 . . . . A 337 LEU N . 30705 1 378 . 1 . 1 36 36 CYS H H 1 8.979 0.04 . 1 . . . . A 338 CYS H . 30705 1 379 . 1 . 1 36 36 CYS HA H 1 4.616 0.04 . 1 . . . . A 338 CYS HA . 30705 1 380 . 1 . 1 36 36 CYS HB2 H 1 2.818 0.04 . 2 . . . . A 338 CYS HB2 . 30705 1 381 . 1 . 1 36 36 CYS HB3 H 1 3.570 0.04 . 2 . . . . A 338 CYS HB3 . 30705 1 382 . 1 . 1 36 36 CYS C C 13 175.238 0.40 . 1 . . . . A 338 CYS C . 30705 1 383 . 1 . 1 36 36 CYS CA C 13 57.136 0.40 . 1 . . . . A 338 CYS CA . 30705 1 384 . 1 . 1 36 36 CYS CB C 13 29.229 0.40 . 1 . . . . A 338 CYS CB . 30705 1 385 . 1 . 1 36 36 CYS N N 15 125.946 0.40 . 1 . . . . A 338 CYS N . 30705 1 386 . 1 . 1 37 37 ASP H H 1 9.094 0.04 . 1 . . . . A 339 ASP H . 30705 1 387 . 1 . 1 37 37 ASP HA H 1 4.382 0.04 . 1 . . . . A 339 ASP HA . 30705 1 388 . 1 . 1 37 37 ASP HB2 H 1 1.951 0.04 . 2 . . . . A 339 ASP HB2 . 30705 1 389 . 1 . 1 37 37 ASP HB3 H 1 2.439 0.04 . 2 . . . . A 339 ASP HB3 . 30705 1 390 . 1 . 1 37 37 ASP C C 13 172.504 0.40 . 1 . . . . A 339 ASP C . 30705 1 391 . 1 . 1 37 37 ASP CA C 13 54.832 0.40 . 1 . . . . A 339 ASP CA . 30705 1 392 . 1 . 1 37 37 ASP CB C 13 38.910 0.40 . 1 . . . . A 339 ASP CB . 30705 1 393 . 1 . 1 37 37 ASP N N 15 130.792 0.40 . 1 . . . . A 339 ASP N . 30705 1 394 . 1 . 1 38 38 GLU H H 1 9.259 0.04 . 1 . . . . A 340 GLU H . 30705 1 395 . 1 . 1 38 38 GLU HA H 1 4.675 0.04 . 1 . . . . A 340 GLU HA . 30705 1 396 . 1 . 1 38 38 GLU HB2 H 1 2.058 0.04 . 2 . . . . A 340 GLU HB2 . 30705 1 397 . 1 . 1 38 38 GLU HB3 H 1 2.613 0.04 . 2 . . . . A 340 GLU HB3 . 30705 1 398 . 1 . 1 38 38 GLU HG2 H 1 1.960 0.04 . 2 . . . . A 340 GLU HG2 . 30705 1 399 . 1 . 1 38 38 GLU HG3 H 1 2.258 0.04 . 2 . . . . A 340 GLU HG3 . 30705 1 400 . 1 . 1 38 38 GLU C C 13 173.904 0.40 . 1 . . . . A 340 GLU C . 30705 1 401 . 1 . 1 38 38 GLU CA C 13 55.433 0.40 . 1 . . . . A 340 GLU CA . 30705 1 402 . 1 . 1 38 38 GLU CB C 13 27.690 0.40 . 1 . . . . A 340 GLU CB . 30705 1 403 . 1 . 1 38 38 GLU CG C 13 33.048 0.40 . 1 . . . . A 340 GLU CG . 30705 1 404 . 1 . 1 38 38 GLU N N 15 122.593 0.40 . 1 . . . . A 340 GLU N . 30705 1 405 . 1 . 1 39 39 CYS H H 1 8.401 0.04 . 1 . . . . A 341 CYS H . 30705 1 406 . 1 . 1 39 39 CYS HA H 1 4.641 0.04 . 1 . . . . A 341 CYS HA . 30705 1 407 . 1 . 1 39 39 CYS HB2 H 1 2.548 0.04 . 2 . . . . A 341 CYS HB2 . 30705 1 408 . 1 . 1 39 39 CYS HB3 H 1 3.057 0.04 . 2 . . . . A 341 CYS HB3 . 30705 1 409 . 1 . 1 39 39 CYS C C 13 173.335 0.40 . 1 . . . . A 341 CYS C . 30705 1 410 . 1 . 1 39 39 CYS CA C 13 57.095 0.40 . 1 . . . . A 341 CYS CA . 30705 1 411 . 1 . 1 39 39 CYS CB C 13 29.081 0.40 . 1 . . . . A 341 CYS CB . 30705 1 412 . 1 . 1 39 39 CYS N N 15 118.622 0.40 . 1 . . . . A 341 CYS N . 30705 1 413 . 1 . 1 40 40 ASP H H 1 7.748 0.04 . 1 . . . . A 342 ASP H . 30705 1 414 . 1 . 1 40 40 ASP HA H 1 4.393 0.04 . 1 . . . . A 342 ASP HA . 30705 1 415 . 1 . 1 40 40 ASP HB2 H 1 2.471 0.04 . 2 . . . . A 342 ASP HB2 . 30705 1 416 . 1 . 1 40 40 ASP HB3 H 1 2.901 0.04 . 2 . . . . A 342 ASP HB3 . 30705 1 417 . 1 . 1 40 40 ASP C C 13 171.300 0.40 . 1 . . . . A 342 ASP C . 30705 1 418 . 1 . 1 40 40 ASP CA C 13 53.595 0.40 . 1 . . . . A 342 ASP CA . 30705 1 419 . 1 . 1 40 40 ASP CB C 13 38.011 0.40 . 1 . . . . A 342 ASP CB . 30705 1 420 . 1 . 1 40 40 ASP N N 15 118.897 0.40 . 1 . . . . A 342 ASP N . 30705 1 421 . 1 . 1 41 41 MET H H 1 7.708 0.04 . 1 . . . . A 343 MET H . 30705 1 422 . 1 . 1 41 41 MET HA H 1 4.399 0.04 . 1 . . . . A 343 MET HA . 30705 1 423 . 1 . 1 41 41 MET HB2 H 1 1.234 0.04 . 2 . . . . A 343 MET HB2 . 30705 1 424 . 1 . 1 41 41 MET HB3 H 1 2.187 0.04 . 2 . . . . A 343 MET HB3 . 30705 1 425 . 1 . 1 41 41 MET HG2 H 1 2.077 0.04 . 2 . . . . A 343 MET HG2 . 30705 1 426 . 1 . 1 41 41 MET HG3 H 1 2.315 0.04 . 2 . . . . A 343 MET HG3 . 30705 1 427 . 1 . 1 41 41 MET HE1 H 1 1.882 0.04 . 1 . . . . A 343 MET HE1 . 30705 1 428 . 1 . 1 41 41 MET HE2 H 1 1.882 0.04 . 1 . . . . A 343 MET HE2 . 30705 1 429 . 1 . 1 41 41 MET HE3 H 1 1.882 0.04 . 1 . . . . A 343 MET HE3 . 30705 1 430 . 1 . 1 41 41 MET C C 13 170.994 0.40 . 1 . . . . A 343 MET C . 30705 1 431 . 1 . 1 41 41 MET CA C 13 52.129 0.40 . 1 . . . . A 343 MET CA . 30705 1 432 . 1 . 1 41 41 MET CB C 13 31.808 0.40 . 1 . . . . A 343 MET CB . 30705 1 433 . 1 . 1 41 41 MET CG C 13 31.018 0.40 . 1 . . . . A 343 MET CG . 30705 1 434 . 1 . 1 41 41 MET CE C 13 16.001 0.40 . 1 . . . . A 343 MET CE . 30705 1 435 . 1 . 1 41 41 MET N N 15 116.307 0.40 . 1 . . . . A 343 MET N . 30705 1 436 . 1 . 1 42 42 ALA H H 1 8.154 0.04 . 1 . . . . A 344 ALA H . 30705 1 437 . 1 . 1 42 42 ALA HA H 1 5.276 0.04 . 1 . . . . A 344 ALA HA . 30705 1 438 . 1 . 1 42 42 ALA HB1 H 1 0.826 0.04 . 1 . . . . A 344 ALA HB1 . 30705 1 439 . 1 . 1 42 42 ALA HB2 H 1 0.826 0.04 . 1 . . . . A 344 ALA HB2 . 30705 1 440 . 1 . 1 42 42 ALA HB3 H 1 0.826 0.04 . 1 . . . . A 344 ALA HB3 . 30705 1 441 . 1 . 1 42 42 ALA C C 13 174.210 0.40 . 1 . . . . A 344 ALA C . 30705 1 442 . 1 . 1 42 42 ALA CA C 13 47.428 0.40 . 1 . . . . A 344 ALA CA . 30705 1 443 . 1 . 1 42 42 ALA CB C 13 18.284 0.40 . 1 . . . . A 344 ALA CB . 30705 1 444 . 1 . 1 42 42 ALA N N 15 123.768 0.40 . 1 . . . . A 344 ALA N . 30705 1 445 . 1 . 1 43 43 PHE H H 1 8.845 0.04 . 1 . . . . A 345 PHE H . 30705 1 446 . 1 . 1 43 43 PHE HA H 1 5.034 0.04 . 1 . . . . A 345 PHE HA . 30705 1 447 . 1 . 1 43 43 PHE HB2 H 1 2.574 0.04 . 2 . . . . A 345 PHE HB2 . 30705 1 448 . 1 . 1 43 43 PHE HB3 H 1 2.574 0.04 . 2 . . . . A 345 PHE HB3 . 30705 1 449 . 1 . 1 43 43 PHE HD1 H 1 7.264 0.04 . 3 . . . . A 345 PHE HD1 . 30705 1 450 . 1 . 1 43 43 PHE HD2 H 1 7.264 0.04 . 3 . . . . A 345 PHE HD2 . 30705 1 451 . 1 . 1 43 43 PHE HE1 H 1 7.202 0.04 . 3 . . . . A 345 PHE HE1 . 30705 1 452 . 1 . 1 43 43 PHE HE2 H 1 7.202 0.04 . 3 . . . . A 345 PHE HE2 . 30705 1 453 . 1 . 1 43 43 PHE C C 13 174.057 0.40 . 1 . . . . A 345 PHE C . 30705 1 454 . 1 . 1 43 43 PHE CA C 13 53.571 0.40 . 1 . . . . A 345 PHE CA . 30705 1 455 . 1 . 1 43 43 PHE CB C 13 40.619 0.40 . 1 . . . . A 345 PHE CB . 30705 1 456 . 1 . 1 43 43 PHE CD1 C 13 132.600 0.40 . 3 . . . . A 345 PHE CD1 . 30705 1 457 . 1 . 1 43 43 PHE CE1 C 13 131.310 0.40 . 3 . . . . A 345 PHE CE1 . 30705 1 458 . 1 . 1 43 43 PHE N N 15 115.758 0.40 . 1 . . . . A 345 PHE N . 30705 1 459 . 1 . 1 44 44 HIS H H 1 9.069 0.04 . 1 . . . . A 346 HIS H . 30705 1 460 . 1 . 1 44 44 HIS HA H 1 4.593 0.04 . 1 . . . . A 346 HIS HA . 30705 1 461 . 1 . 1 44 44 HIS HB2 H 1 1.212 0.04 . 2 . . . . A 346 HIS HB2 . 30705 1 462 . 1 . 1 44 44 HIS HB3 H 1 3.056 0.04 . 2 . . . . A 346 HIS HB3 . 30705 1 463 . 1 . 1 44 44 HIS HD2 H 1 6.582 0.04 . 1 . . . . A 346 HIS HD2 . 30705 1 464 . 1 . 1 44 44 HIS HE1 H 1 7.168 0.04 . 1 . . . . A 346 HIS HE1 . 30705 1 465 . 1 . 1 44 44 HIS C C 13 175.982 0.40 . 1 . . . . A 346 HIS C . 30705 1 466 . 1 . 1 44 44 HIS CA C 13 55.521 0.40 . 1 . . . . A 346 HIS CA . 30705 1 467 . 1 . 1 44 44 HIS CB C 13 27.870 0.40 . 1 . . . . A 346 HIS CB . 30705 1 468 . 1 . 1 44 44 HIS CD2 C 13 118.975 0.40 . 1 . . . . A 346 HIS CD2 . 30705 1 469 . 1 . 1 44 44 HIS CE1 C 13 138.241 0.40 . 1 . . . . A 346 HIS CE1 . 30705 1 470 . 1 . 1 44 44 HIS N N 15 121.886 0.40 . 1 . . . . A 346 HIS N . 30705 1 471 . 1 . 1 45 45 LEU H H 1 8.792 0.04 . 1 . . . . A 347 LEU H . 30705 1 472 . 1 . 1 45 45 LEU HA H 1 3.650 0.04 . 1 . . . . A 347 LEU HA . 30705 1 473 . 1 . 1 45 45 LEU HB2 H 1 1.438 0.04 . 2 . . . . A 347 LEU HB2 . 30705 1 474 . 1 . 1 45 45 LEU HB3 H 1 1.733 0.04 . 2 . . . . A 347 LEU HB3 . 30705 1 475 . 1 . 1 45 45 LEU HG H 1 1.571 0.04 . 1 . . . . A 347 LEU HG . 30705 1 476 . 1 . 1 45 45 LEU HD11 H 1 0.540 0.04 . 2 . . . . A 347 LEU HD11 . 30705 1 477 . 1 . 1 45 45 LEU HD12 H 1 0.540 0.04 . 2 . . . . A 347 LEU HD12 . 30705 1 478 . 1 . 1 45 45 LEU HD13 H 1 0.540 0.04 . 2 . . . . A 347 LEU HD13 . 30705 1 479 . 1 . 1 45 45 LEU HD21 H 1 0.441 0.04 . 2 . . . . A 347 LEU HD21 . 30705 1 480 . 1 . 1 45 45 LEU HD22 H 1 0.441 0.04 . 2 . . . . A 347 LEU HD22 . 30705 1 481 . 1 . 1 45 45 LEU HD23 H 1 0.441 0.04 . 2 . . . . A 347 LEU HD23 . 30705 1 482 . 1 . 1 45 45 LEU C C 13 174.560 0.40 . 1 . . . . A 347 LEU C . 30705 1 483 . 1 . 1 45 45 LEU CA C 13 55.272 0.40 . 1 . . . . A 347 LEU CA . 30705 1 484 . 1 . 1 45 45 LEU CB C 13 39.101 0.40 . 1 . . . . A 347 LEU CB . 30705 1 485 . 1 . 1 45 45 LEU CG C 13 24.004 0.40 . 1 . . . . A 347 LEU CG . 30705 1 486 . 1 . 1 45 45 LEU CD1 C 13 22.642 0.40 . 2 . . . . A 347 LEU CD1 . 30705 1 487 . 1 . 1 45 45 LEU CD2 C 13 20.545 0.40 . 2 . . . . A 347 LEU CD2 . 30705 1 488 . 1 . 1 45 45 LEU N N 15 120.805 0.40 . 1 . . . . A 347 LEU N . 30705 1 489 . 1 . 1 46 46 TYR H H 1 6.102 0.04 . 1 . . . . A 348 TYR H . 30705 1 490 . 1 . 1 46 46 TYR HA H 1 4.557 0.04 . 1 . . . . A 348 TYR HA . 30705 1 491 . 1 . 1 46 46 TYR HB2 H 1 2.899 0.04 . 2 . . . . A 348 TYR HB2 . 30705 1 492 . 1 . 1 46 46 TYR HB3 H 1 3.361 0.04 . 2 . . . . A 348 TYR HB3 . 30705 1 493 . 1 . 1 46 46 TYR HD1 H 1 7.083 0.04 . 3 . . . . A 348 TYR HD1 . 30705 1 494 . 1 . 1 46 46 TYR HD2 H 1 7.083 0.04 . 3 . . . . A 348 TYR HD2 . 30705 1 495 . 1 . 1 46 46 TYR HE1 H 1 6.300 0.04 . 3 . . . . A 348 TYR HE1 . 30705 1 496 . 1 . 1 46 46 TYR HE2 H 1 6.300 0.04 . 3 . . . . A 348 TYR HE2 . 30705 1 497 . 1 . 1 46 46 TYR C C 13 174.035 0.40 . 1 . . . . A 348 TYR C . 30705 1 498 . 1 . 1 46 46 TYR CA C 13 52.316 0.40 . 1 . . . . A 348 TYR CA . 30705 1 499 . 1 . 1 46 46 TYR CB C 13 33.437 0.40 . 1 . . . . A 348 TYR CB . 30705 1 500 . 1 . 1 46 46 TYR CD1 C 13 134.436 0.40 . 3 . . . . A 348 TYR CD1 . 30705 1 501 . 1 . 1 46 46 TYR CE1 C 13 118.271 0.40 . 3 . . . . A 348 TYR CE1 . 30705 1 502 . 1 . 1 46 46 TYR N N 15 106.081 0.40 . 1 . . . . A 348 TYR N . 30705 1 503 . 1 . 1 47 47 CYS H H 1 7.498 0.04 . 1 . . . . A 349 CYS H . 30705 1 504 . 1 . 1 47 47 CYS HA H 1 4.427 0.04 . 1 . . . . A 349 CYS HA . 30705 1 505 . 1 . 1 47 47 CYS HB2 H 1 2.638 0.04 . 2 . . . . A 349 CYS HB2 . 30705 1 506 . 1 . 1 47 47 CYS HB3 H 1 3.168 0.04 . 2 . . . . A 349 CYS HB3 . 30705 1 507 . 1 . 1 47 47 CYS C C 13 172.241 0.40 . 1 . . . . A 349 CYS C . 30705 1 508 . 1 . 1 47 47 CYS CA C 13 58.908 0.40 . 1 . . . . A 349 CYS CA . 30705 1 509 . 1 . 1 47 47 CYS CB C 13 27.502 0.40 . 1 . . . . A 349 CYS CB . 30705 1 510 . 1 . 1 47 47 CYS N N 15 122.190 0.40 . 1 . . . . A 349 CYS N . 30705 1 511 . 1 . 1 48 48 LEU H H 1 6.461 0.04 . 1 . . . . A 350 LEU H . 30705 1 512 . 1 . 1 48 48 LEU HA H 1 4.158 0.04 . 1 . . . . A 350 LEU HA . 30705 1 513 . 1 . 1 48 48 LEU HB2 H 1 1.418 0.04 . 2 . . . . A 350 LEU HB2 . 30705 1 514 . 1 . 1 48 48 LEU HB3 H 1 1.742 0.04 . 2 . . . . A 350 LEU HB3 . 30705 1 515 . 1 . 1 48 48 LEU HG H 1 1.783 0.04 . 1 . . . . A 350 LEU HG . 30705 1 516 . 1 . 1 48 48 LEU HD11 H 1 0.822 0.04 . 2 . . . . A 350 LEU HD11 . 30705 1 517 . 1 . 1 48 48 LEU HD12 H 1 0.822 0.04 . 2 . . . . A 350 LEU HD12 . 30705 1 518 . 1 . 1 48 48 LEU HD13 H 1 0.822 0.04 . 2 . . . . A 350 LEU HD13 . 30705 1 519 . 1 . 1 48 48 LEU HD21 H 1 0.739 0.04 . 2 . . . . A 350 LEU HD21 . 30705 1 520 . 1 . 1 48 48 LEU HD22 H 1 0.739 0.04 . 2 . . . . A 350 LEU HD22 . 30705 1 521 . 1 . 1 48 48 LEU HD23 H 1 0.739 0.04 . 2 . . . . A 350 LEU HD23 . 30705 1 522 . 1 . 1 48 48 LEU C C 13 172.197 0.40 . 1 . . . . A 350 LEU C . 30705 1 523 . 1 . 1 48 48 LEU CA C 13 52.079 0.40 . 1 . . . . A 350 LEU CA . 30705 1 524 . 1 . 1 48 48 LEU CB C 13 41.031 0.40 . 1 . . . . A 350 LEU CB . 30705 1 525 . 1 . 1 48 48 LEU CG C 13 24.113 0.40 . 1 . . . . A 350 LEU CG . 30705 1 526 . 1 . 1 48 48 LEU CD1 C 13 23.950 0.40 . 2 . . . . A 350 LEU CD1 . 30705 1 527 . 1 . 1 48 48 LEU CD2 C 13 20.136 0.40 . 2 . . . . A 350 LEU CD2 . 30705 1 528 . 1 . 1 48 48 LEU N N 15 120.852 0.40 . 1 . . . . A 350 LEU N . 30705 1 529 . 1 . 1 49 49 LYS H H 1 8.079 0.04 . 1 . . . . A 351 LYS H . 30705 1 530 . 1 . 1 49 49 LYS HA H 1 4.479 0.04 . 1 . . . . A 351 LYS HA . 30705 1 531 . 1 . 1 49 49 LYS HB2 H 1 1.604 0.04 . 2 . . . . A 351 LYS HB2 . 30705 1 532 . 1 . 1 49 49 LYS HB3 H 1 1.604 0.04 . 2 . . . . A 351 LYS HB3 . 30705 1 533 . 1 . 1 49 49 LYS HG2 H 1 1.167 0.04 . 2 . . . . A 351 LYS HG2 . 30705 1 534 . 1 . 1 49 49 LYS HG3 H 1 1.303 0.04 . 2 . . . . A 351 LYS HG3 . 30705 1 535 . 1 . 1 49 49 LYS HD2 H 1 1.564 0.04 . 2 . . . . A 351 LYS HD2 . 30705 1 536 . 1 . 1 49 49 LYS HD3 H 1 1.564 0.04 . 2 . . . . A 351 LYS HD3 . 30705 1 537 . 1 . 1 49 49 LYS HE2 H 1 2.896 0.04 . 2 . . . . A 351 LYS HE2 . 30705 1 538 . 1 . 1 49 49 LYS HE3 H 1 2.896 0.04 . 2 . . . . A 351 LYS HE3 . 30705 1 539 . 1 . 1 49 49 LYS CA C 13 49.828 0.40 . 1 . . . . A 351 LYS CA . 30705 1 540 . 1 . 1 49 49 LYS CB C 13 31.686 0.40 . 1 . . . . A 351 LYS CB . 30705 1 541 . 1 . 1 49 49 LYS CG C 13 21.850 0.40 . 1 . . . . A 351 LYS CG . 30705 1 542 . 1 . 1 49 49 LYS CD C 13 26.442 0.40 . 1 . . . . A 351 LYS CD . 30705 1 543 . 1 . 1 49 49 LYS CE C 13 39.477 0.40 . 1 . . . . A 351 LYS CE . 30705 1 544 . 1 . 1 49 49 LYS N N 15 118.777 0.40 . 1 . . . . A 351 LYS N . 30705 1 545 . 1 . 1 50 50 PRO HA H 1 4.982 0.04 . 1 . . . . A 352 PRO HA . 30705 1 546 . 1 . 1 50 50 PRO HB2 H 1 1.951 0.04 . 2 . . . . A 352 PRO HB2 . 30705 1 547 . 1 . 1 50 50 PRO HB3 H 1 2.324 0.04 . 2 . . . . A 352 PRO HB3 . 30705 1 548 . 1 . 1 50 50 PRO HG2 H 1 1.774 0.04 . 2 . . . . A 352 PRO HG2 . 30705 1 549 . 1 . 1 50 50 PRO HG3 H 1 1.830 0.04 . 2 . . . . A 352 PRO HG3 . 30705 1 550 . 1 . 1 50 50 PRO HD2 H 1 3.358 0.04 . 2 . . . . A 352 PRO HD2 . 30705 1 551 . 1 . 1 50 50 PRO HD3 H 1 3.559 0.04 . 2 . . . . A 352 PRO HD3 . 30705 1 552 . 1 . 1 50 50 PRO CA C 13 59.389 0.40 . 1 . . . . A 352 PRO CA . 30705 1 553 . 1 . 1 50 50 PRO CB C 13 30.474 0.40 . 1 . . . . A 352 PRO CB . 30705 1 554 . 1 . 1 50 50 PRO CG C 13 22.220 0.40 . 1 . . . . A 352 PRO CG . 30705 1 555 . 1 . 1 50 50 PRO CD C 13 47.411 0.40 . 1 . . . . A 352 PRO CD . 30705 1 556 . 1 . 1 51 51 PRO HA H 1 4.304 0.04 . 1 . . . . A 353 PRO HA . 30705 1 557 . 1 . 1 51 51 PRO HB2 H 1 1.775 0.04 . 2 . . . . A 353 PRO HB2 . 30705 1 558 . 1 . 1 51 51 PRO HB3 H 1 2.149 0.04 . 2 . . . . A 353 PRO HB3 . 30705 1 559 . 1 . 1 51 51 PRO HG2 H 1 1.929 0.04 . 2 . . . . A 353 PRO HG2 . 30705 1 560 . 1 . 1 51 51 PRO HG3 H 1 2.026 0.04 . 2 . . . . A 353 PRO HG3 . 30705 1 561 . 1 . 1 51 51 PRO HD2 H 1 3.603 0.04 . 2 . . . . A 353 PRO HD2 . 30705 1 562 . 1 . 1 51 51 PRO HD3 H 1 3.603 0.04 . 2 . . . . A 353 PRO HD3 . 30705 1 563 . 1 . 1 51 51 PRO C C 13 174.604 0.40 . 1 . . . . A 353 PRO C . 30705 1 564 . 1 . 1 51 51 PRO CA C 13 60.508 0.40 . 1 . . . . A 353 PRO CA . 30705 1 565 . 1 . 1 51 51 PRO CB C 13 29.144 0.40 . 1 . . . . A 353 PRO CB . 30705 1 566 . 1 . 1 51 51 PRO CG C 13 24.631 0.40 . 1 . . . . A 353 PRO CG . 30705 1 567 . 1 . 1 51 51 PRO CD C 13 47.213 0.40 . 1 . . . . A 353 PRO CD . 30705 1 568 . 1 . 1 52 52 LEU H H 1 7.502 0.04 . 1 . . . . A 354 LEU H . 30705 1 569 . 1 . 1 52 52 LEU HA H 1 4.625 0.04 . 1 . . . . A 354 LEU HA . 30705 1 570 . 1 . 1 52 52 LEU HB2 H 1 1.513 0.04 . 2 . . . . A 354 LEU HB2 . 30705 1 571 . 1 . 1 52 52 LEU HB3 H 1 1.513 0.04 . 2 . . . . A 354 LEU HB3 . 30705 1 572 . 1 . 1 52 52 LEU HG H 1 1.732 0.04 . 1 . . . . A 354 LEU HG . 30705 1 573 . 1 . 1 52 52 LEU HD11 H 1 0.720 0.04 . 2 . . . . A 354 LEU HD11 . 30705 1 574 . 1 . 1 52 52 LEU HD12 H 1 0.720 0.04 . 2 . . . . A 354 LEU HD12 . 30705 1 575 . 1 . 1 52 52 LEU HD13 H 1 0.720 0.04 . 2 . . . . A 354 LEU HD13 . 30705 1 576 . 1 . 1 52 52 LEU HD21 H 1 0.809 0.04 . 2 . . . . A 354 LEU HD21 . 30705 1 577 . 1 . 1 52 52 LEU HD22 H 1 0.809 0.04 . 2 . . . . A 354 LEU HD22 . 30705 1 578 . 1 . 1 52 52 LEU HD23 H 1 0.809 0.04 . 2 . . . . A 354 LEU HD23 . 30705 1 579 . 1 . 1 52 52 LEU C C 13 174.625 0.40 . 1 . . . . A 354 LEU C . 30705 1 580 . 1 . 1 52 52 LEU CA C 13 50.451 0.40 . 1 . . . . A 354 LEU CA . 30705 1 581 . 1 . 1 52 52 LEU CB C 13 41.565 0.40 . 1 . . . . A 354 LEU CB . 30705 1 582 . 1 . 1 52 52 LEU CG C 13 24.440 0.40 . 1 . . . . A 354 LEU CG . 30705 1 583 . 1 . 1 52 52 LEU CD1 C 13 22.860 0.40 . 2 . . . . A 354 LEU CD1 . 30705 1 584 . 1 . 1 52 52 LEU CD2 C 13 20.027 0.40 . 2 . . . . A 354 LEU CD2 . 30705 1 585 . 1 . 1 52 52 LEU N N 15 120.801 0.40 . 1 . . . . A 354 LEU N . 30705 1 586 . 1 . 1 53 53 THR H H 1 8.667 0.04 . 1 . . . . A 355 THR H . 30705 1 587 . 1 . 1 53 53 THR HA H 1 4.205 0.04 . 1 . . . . A 355 THR HA . 30705 1 588 . 1 . 1 53 53 THR HB H 1 4.239 0.04 . 1 . . . . A 355 THR HB . 30705 1 589 . 1 . 1 53 53 THR HG21 H 1 1.049 0.04 . 1 . . . . A 355 THR HG21 . 30705 1 590 . 1 . 1 53 53 THR HG22 H 1 1.049 0.04 . 1 . . . . A 355 THR HG22 . 30705 1 591 . 1 . 1 53 53 THR HG23 H 1 1.049 0.04 . 1 . . . . A 355 THR HG23 . 30705 1 592 . 1 . 1 53 53 THR C C 13 171.760 0.40 . 1 . . . . A 355 THR C . 30705 1 593 . 1 . 1 53 53 THR CA C 13 59.335 0.40 . 1 . . . . A 355 THR CA . 30705 1 594 . 1 . 1 53 53 THR CB C 13 66.662 0.40 . 1 . . . . A 355 THR CB . 30705 1 595 . 1 . 1 53 53 THR CG2 C 13 19.046 0.40 . 1 . . . . A 355 THR CG2 . 30705 1 596 . 1 . 1 53 53 THR N N 15 110.201 0.40 . 1 . . . . A 355 THR N . 30705 1 597 . 1 . 1 54 54 SER H H 1 7.425 0.04 . 1 . . . . A 356 SER H . 30705 1 598 . 1 . 1 54 54 SER HA H 1 4.409 0.04 . 1 . . . . A 356 SER HA . 30705 1 599 . 1 . 1 54 54 SER HB2 H 1 3.583 0.04 . 2 . . . . A 356 SER HB2 . 30705 1 600 . 1 . 1 54 54 SER HB3 H 1 3.676 0.04 . 2 . . . . A 356 SER HB3 . 30705 1 601 . 1 . 1 54 54 SER C C 13 170.097 0.40 . 1 . . . . A 356 SER C . 30705 1 602 . 1 . 1 54 54 SER CA C 13 54.027 0.40 . 1 . . . . A 356 SER CA . 30705 1 603 . 1 . 1 54 54 SER CB C 13 62.334 0.40 . 1 . . . . A 356 SER CB . 30705 1 604 . 1 . 1 54 54 SER N N 15 114.608 0.40 . 1 . . . . A 356 SER N . 30705 1 605 . 1 . 1 55 55 VAL H H 1 8.465 0.04 . 1 . . . . A 357 VAL H . 30705 1 606 . 1 . 1 55 55 VAL HA H 1 3.734 0.04 . 1 . . . . A 357 VAL HA . 30705 1 607 . 1 . 1 55 55 VAL HB H 1 1.823 0.04 . 1 . . . . A 357 VAL HB . 30705 1 608 . 1 . 1 55 55 VAL HG11 H 1 0.793 0.04 . 2 . . . . A 357 VAL HG11 . 30705 1 609 . 1 . 1 55 55 VAL HG12 H 1 0.793 0.04 . 2 . . . . A 357 VAL HG12 . 30705 1 610 . 1 . 1 55 55 VAL HG13 H 1 0.793 0.04 . 2 . . . . A 357 VAL HG13 . 30705 1 611 . 1 . 1 55 55 VAL HG21 H 1 0.756 0.04 . 2 . . . . A 357 VAL HG21 . 30705 1 612 . 1 . 1 55 55 VAL HG22 H 1 0.756 0.04 . 2 . . . . A 357 VAL HG22 . 30705 1 613 . 1 . 1 55 55 VAL HG23 H 1 0.756 0.04 . 2 . . . . A 357 VAL HG23 . 30705 1 614 . 1 . 1 55 55 VAL CA C 13 58.381 0.40 . 1 . . . . A 357 VAL CA . 30705 1 615 . 1 . 1 55 55 VAL CB C 13 29.398 0.40 . 1 . . . . A 357 VAL CB . 30705 1 616 . 1 . 1 55 55 VAL CG1 C 13 18.447 0.40 . 2 . . . . A 357 VAL CG1 . 30705 1 617 . 1 . 1 55 55 VAL CG2 C 13 17.684 0.40 . 2 . . . . A 357 VAL CG2 . 30705 1 618 . 1 . 1 55 55 VAL N N 15 123.185 0.40 . 1 . . . . A 357 VAL N . 30705 1 619 . 1 . 1 56 56 PRO HA H 1 4.536 0.04 . 1 . . . . A 358 PRO HA . 30705 1 620 . 1 . 1 56 56 PRO HB2 H 1 2.069 0.04 . 2 . . . . A 358 PRO HB2 . 30705 1 621 . 1 . 1 56 56 PRO HB3 H 1 2.467 0.04 . 2 . . . . A 358 PRO HB3 . 30705 1 622 . 1 . 1 56 56 PRO HG2 H 1 1.888 0.04 . 2 . . . . A 358 PRO HG2 . 30705 1 623 . 1 . 1 56 56 PRO HG3 H 1 1.830 0.04 . 2 . . . . A 358 PRO HG3 . 30705 1 624 . 1 . 1 56 56 PRO HD2 H 1 3.283 0.04 . 2 . . . . A 358 PRO HD2 . 30705 1 625 . 1 . 1 56 56 PRO HD3 H 1 3.599 0.04 . 2 . . . . A 358 PRO HD3 . 30705 1 626 . 1 . 1 56 56 PRO CA C 13 58.844 0.40 . 1 . . . . A 358 PRO CA . 30705 1 627 . 1 . 1 56 56 PRO CB C 13 28.404 0.40 . 1 . . . . A 358 PRO CB . 30705 1 628 . 1 . 1 56 56 PRO CG C 13 24.603 0.40 . 1 . . . . A 358 PRO CG . 30705 1 629 . 1 . 1 56 56 PRO CD C 13 48.615 0.40 . 1 . . . . A 358 PRO CD . 30705 1 630 . 1 . 1 57 57 PRO HA H 1 4.324 0.04 . 1 . . . . A 359 PRO HA . 30705 1 631 . 1 . 1 57 57 PRO HB2 H 1 1.903 0.04 . 2 . . . . A 359 PRO HB2 . 30705 1 632 . 1 . 1 57 57 PRO HB3 H 1 2.036 0.04 . 2 . . . . A 359 PRO HB3 . 30705 1 633 . 1 . 1 57 57 PRO HG2 H 1 1.844 0.04 . 2 . . . . A 359 PRO HG2 . 30705 1 634 . 1 . 1 57 57 PRO HG3 H 1 1.926 0.04 . 2 . . . . A 359 PRO HG3 . 30705 1 635 . 1 . 1 57 57 PRO HD2 H 1 3.592 0.04 . 2 . . . . A 359 PRO HD2 . 30705 1 636 . 1 . 1 57 57 PRO HD3 H 1 3.800 0.04 . 2 . . . . A 359 PRO HD3 . 30705 1 637 . 1 . 1 57 57 PRO C C 13 174.450 0.40 . 1 . . . . A 359 PRO C . 30705 1 638 . 1 . 1 57 57 PRO CA C 13 60.824 0.40 . 1 . . . . A 359 PRO CA . 30705 1 639 . 1 . 1 57 57 PRO CB C 13 28.740 0.40 . 1 . . . . A 359 PRO CB . 30705 1 640 . 1 . 1 57 57 PRO CG C 13 24.195 0.40 . 1 . . . . A 359 PRO CG . 30705 1 641 . 1 . 1 57 57 PRO CD C 13 47.785 0.40 . 1 . . . . A 359 PRO CD . 30705 1 642 . 1 . 1 58 58 GLU H H 1 8.005 0.04 . 1 . . . . A 360 GLU H . 30705 1 643 . 1 . 1 58 58 GLU HA H 1 4.345 0.04 . 1 . . . . A 360 GLU HA . 30705 1 644 . 1 . 1 58 58 GLU HB2 H 1 2.043 0.04 . 2 . . . . A 360 GLU HB2 . 30705 1 645 . 1 . 1 58 58 GLU HB3 H 1 2.118 0.04 . 2 . . . . A 360 GLU HB3 . 30705 1 646 . 1 . 1 58 58 GLU HG2 H 1 2.241 0.04 . 2 . . . . A 360 GLU HG2 . 30705 1 647 . 1 . 1 58 58 GLU HG3 H 1 2.453 0.04 . 2 . . . . A 360 GLU HG3 . 30705 1 648 . 1 . 1 58 58 GLU CA C 13 53.369 0.40 . 1 . . . . A 360 GLU CA . 30705 1 649 . 1 . 1 58 58 GLU CB C 13 25.693 0.40 . 1 . . . . A 360 GLU CB . 30705 1 650 . 1 . 1 58 58 GLU CG C 13 34.165 0.40 . 1 . . . . A 360 GLU CG . 30705 1 651 . 1 . 1 58 58 GLU N N 15 121.109 0.40 . 1 . . . . A 360 GLU N . 30705 1 652 . 1 . 1 59 59 PRO HA H 1 4.210 0.04 . 1 . . . . A 361 PRO HA . 30705 1 653 . 1 . 1 59 59 PRO HB2 H 1 1.911 0.04 . 2 . . . . A 361 PRO HB2 . 30705 1 654 . 1 . 1 59 59 PRO HB3 H 1 2.164 0.04 . 2 . . . . A 361 PRO HB3 . 30705 1 655 . 1 . 1 59 59 PRO HG2 H 1 1.936 0.04 . 2 . . . . A 361 PRO HG2 . 30705 1 656 . 1 . 1 59 59 PRO HG3 H 1 1.936 0.04 . 2 . . . . A 361 PRO HG3 . 30705 1 657 . 1 . 1 59 59 PRO HD2 H 1 3.669 0.04 . 2 . . . . A 361 PRO HD2 . 30705 1 658 . 1 . 1 59 59 PRO HD3 H 1 3.740 0.04 . 2 . . . . A 361 PRO HD3 . 30705 1 659 . 1 . 1 59 59 PRO C C 13 173.882 0.40 . 1 . . . . A 361 PRO C . 30705 1 660 . 1 . 1 59 59 PRO CA C 13 61.752 0.40 . 1 . . . . A 361 PRO CA . 30705 1 661 . 1 . 1 59 59 PRO CB C 13 28.895 0.40 . 1 . . . . A 361 PRO CB . 30705 1 662 . 1 . 1 59 59 PRO CG C 13 24.589 0.40 . 1 . . . . A 361 PRO CG . 30705 1 663 . 1 . 1 59 59 PRO CD C 13 47.608 0.40 . 1 . . . . A 361 PRO CD . 30705 1 664 . 1 . 1 60 60 GLU H H 1 7.217 0.04 . 1 . . . . A 362 GLU H . 30705 1 665 . 1 . 1 60 60 GLU HA H 1 4.566 0.04 . 1 . . . . A 362 GLU HA . 30705 1 666 . 1 . 1 60 60 GLU HB2 H 1 1.614 0.04 . 2 . . . . A 362 GLU HB2 . 30705 1 667 . 1 . 1 60 60 GLU HB3 H 1 1.775 0.04 . 2 . . . . A 362 GLU HB3 . 30705 1 668 . 1 . 1 60 60 GLU HG2 H 1 1.973 0.04 . 2 . . . . A 362 GLU HG2 . 30705 1 669 . 1 . 1 60 60 GLU HG3 H 1 2.104 0.04 . 2 . . . . A 362 GLU HG3 . 30705 1 670 . 1 . 1 60 60 GLU C C 13 171.650 0.40 . 1 . . . . A 362 GLU C . 30705 1 671 . 1 . 1 60 60 GLU CA C 13 52.198 0.40 . 1 . . . . A 362 GLU CA . 30705 1 672 . 1 . 1 60 60 GLU CB C 13 29.222 0.40 . 1 . . . . A 362 GLU CB . 30705 1 673 . 1 . 1 60 60 GLU CG C 13 33.443 0.40 . 1 . . . . A 362 GLU CG . 30705 1 674 . 1 . 1 60 60 GLU N N 15 115.381 0.40 . 1 . . . . A 362 GLU N . 30705 1 675 . 1 . 1 61 61 TRP H H 1 8.939 0.04 . 1 . . . . A 363 TRP H . 30705 1 676 . 1 . 1 61 61 TRP HA H 1 4.177 0.04 . 1 . . . . A 363 TRP HA . 30705 1 677 . 1 . 1 61 61 TRP HB2 H 1 2.904 0.04 . 2 . . . . A 363 TRP HB2 . 30705 1 678 . 1 . 1 61 61 TRP HB3 H 1 2.904 0.04 . 2 . . . . A 363 TRP HB3 . 30705 1 679 . 1 . 1 61 61 TRP HD1 H 1 7.190 0.04 . 1 . . . . A 363 TRP HD1 . 30705 1 680 . 1 . 1 61 61 TRP HE1 H 1 9.602 0.04 . 1 . . . . A 363 TRP HE1 . 30705 1 681 . 1 . 1 61 61 TRP HZ2 H 1 6.968 0.04 . 1 . . . . A 363 TRP HZ2 . 30705 1 682 . 1 . 1 61 61 TRP HH2 H 1 5.986 0.04 . 1 . . . . A 363 TRP HH2 . 30705 1 683 . 1 . 1 61 61 TRP C C 13 169.047 0.40 . 1 . . . . A 363 TRP C . 30705 1 684 . 1 . 1 61 61 TRP CA C 13 56.464 0.40 . 1 . . . . A 363 TRP CA . 30705 1 685 . 1 . 1 61 61 TRP CB C 13 27.794 0.40 . 1 . . . . A 363 TRP CB . 30705 1 686 . 1 . 1 61 61 TRP CD1 C 13 126.228 0.40 . 1 . . . . A 363 TRP CD1 . 30705 1 687 . 1 . 1 61 61 TRP CZ2 C 13 113.764 0.40 . 1 . . . . A 363 TRP CZ2 . 30705 1 688 . 1 . 1 61 61 TRP CH2 C 13 122.500 0.40 . 1 . . . . A 363 TRP CH2 . 30705 1 689 . 1 . 1 61 61 TRP N N 15 125.162 0.40 . 1 . . . . A 363 TRP N . 30705 1 690 . 1 . 1 61 61 TRP NE1 N 15 127.845 0.40 . 1 . . . . A 363 TRP NE1 . 30705 1 691 . 1 . 1 62 62 TYR H H 1 6.702 0.04 . 1 . . . . A 364 TYR H . 30705 1 692 . 1 . 1 62 62 TYR HA H 1 5.119 0.04 . 1 . . . . A 364 TYR HA . 30705 1 693 . 1 . 1 62 62 TYR HB2 H 1 2.017 0.04 . 2 . . . . A 364 TYR HB2 . 30705 1 694 . 1 . 1 62 62 TYR HB3 H 1 2.298 0.04 . 2 . . . . A 364 TYR HB3 . 30705 1 695 . 1 . 1 62 62 TYR HD1 H 1 6.798 0.04 . 3 . . . . A 364 TYR HD1 . 30705 1 696 . 1 . 1 62 62 TYR HD2 H 1 6.798 0.04 . 3 . . . . A 364 TYR HD2 . 30705 1 697 . 1 . 1 62 62 TYR HE1 H 1 6.562 0.04 . 3 . . . . A 364 TYR HE1 . 30705 1 698 . 1 . 1 62 62 TYR HE2 H 1 6.562 0.04 . 3 . . . . A 364 TYR HE2 . 30705 1 699 . 1 . 1 62 62 TYR C C 13 171.235 0.40 . 1 . . . . A 364 TYR C . 30705 1 700 . 1 . 1 62 62 TYR CA C 13 51.797 0.40 . 1 . . . . A 364 TYR CA . 30705 1 701 . 1 . 1 62 62 TYR CB C 13 38.367 0.40 . 1 . . . . A 364 TYR CB . 30705 1 702 . 1 . 1 62 62 TYR CD1 C 13 132.962 0.40 . 3 . . . . A 364 TYR CD1 . 30705 1 703 . 1 . 1 62 62 TYR CE1 C 13 118.165 0.40 . 3 . . . . A 364 TYR CE1 . 30705 1 704 . 1 . 1 62 62 TYR N N 15 122.996 0.40 . 1 . . . . A 364 TYR N . 30705 1 705 . 1 . 1 63 63 CYS H H 1 9.133 0.04 . 1 . . . . A 365 CYS H . 30705 1 706 . 1 . 1 63 63 CYS HA H 1 3.337 0.04 . 1 . . . . A 365 CYS HA . 30705 1 707 . 1 . 1 63 63 CYS HB2 H 1 2.024 0.04 . 2 . . . . A 365 CYS HB2 . 30705 1 708 . 1 . 1 63 63 CYS HB3 H 1 2.348 0.04 . 2 . . . . A 365 CYS HB3 . 30705 1 709 . 1 . 1 63 63 CYS CA C 13 54.486 0.40 . 1 . . . . A 365 CYS CA . 30705 1 710 . 1 . 1 63 63 CYS CB C 13 27.151 0.40 . 1 . . . . A 365 CYS CB . 30705 1 711 . 1 . 1 63 63 CYS N N 15 127.810 0.40 . 1 . . . . A 365 CYS N . 30705 1 712 . 1 . 1 64 64 PRO HA H 1 3.841 0.04 . 1 . . . . A 366 PRO HA . 30705 1 713 . 1 . 1 64 64 PRO HB2 H 1 1.793 0.04 . 2 . . . . A 366 PRO HB2 . 30705 1 714 . 1 . 1 64 64 PRO HB3 H 1 2.278 0.04 . 2 . . . . A 366 PRO HB3 . 30705 1 715 . 1 . 1 64 64 PRO HG2 H 1 1.806 0.04 . 2 . . . . A 366 PRO HG2 . 30705 1 716 . 1 . 1 64 64 PRO HG3 H 1 2.045 0.04 . 2 . . . . A 366 PRO HG3 . 30705 1 717 . 1 . 1 64 64 PRO HD2 H 1 3.104 0.04 . 2 . . . . A 366 PRO HD2 . 30705 1 718 . 1 . 1 64 64 PRO HD3 H 1 3.104 0.04 . 2 . . . . A 366 PRO HD3 . 30705 1 719 . 1 . 1 64 64 PRO C C 13 175.479 0.40 . 1 . . . . A 366 PRO C . 30705 1 720 . 1 . 1 64 64 PRO CA C 13 62.536 0.40 . 1 . . . . A 366 PRO CA . 30705 1 721 . 1 . 1 64 64 PRO CB C 13 29.247 0.40 . 1 . . . . A 366 PRO CB . 30705 1 722 . 1 . 1 64 64 PRO CG C 13 25.366 0.40 . 1 . . . . A 366 PRO CG . 30705 1 723 . 1 . 1 64 64 PRO CD C 13 47.131 0.40 . 1 . . . . A 366 PRO CD . 30705 1 724 . 1 . 1 65 65 SER H H 1 8.007 0.04 . 1 . . . . A 367 SER H . 30705 1 725 . 1 . 1 65 65 SER HA H 1 4.258 0.04 . 1 . . . . A 367 SER HA . 30705 1 726 . 1 . 1 65 65 SER HB2 H 1 3.835 0.04 . 2 . . . . A 367 SER HB2 . 30705 1 727 . 1 . 1 65 65 SER HB3 H 1 3.835 0.04 . 2 . . . . A 367 SER HB3 . 30705 1 728 . 1 . 1 65 65 SER C C 13 172.875 0.40 . 1 . . . . A 367 SER C . 30705 1 729 . 1 . 1 65 65 SER CA C 13 58.016 0.40 . 1 . . . . A 367 SER CA . 30705 1 730 . 1 . 1 65 65 SER CB C 13 60.460 0.40 . 1 . . . . A 367 SER CB . 30705 1 731 . 1 . 1 65 65 SER N N 15 112.739 0.40 . 1 . . . . A 367 SER N . 30705 1 732 . 1 . 1 66 66 CYS H H 1 7.985 0.04 . 1 . . . . A 368 CYS H . 30705 1 733 . 1 . 1 66 66 CYS HA H 1 3.893 0.04 . 1 . . . . A 368 CYS HA . 30705 1 734 . 1 . 1 66 66 CYS HB2 H 1 2.587 0.04 . 2 . . . . A 368 CYS HB2 . 30705 1 735 . 1 . 1 66 66 CYS HB3 H 1 2.719 0.04 . 2 . . . . A 368 CYS HB3 . 30705 1 736 . 1 . 1 66 66 CYS C C 13 173.794 0.40 . 1 . . . . A 368 CYS C . 30705 1 737 . 1 . 1 66 66 CYS CA C 13 59.861 0.40 . 1 . . . . A 368 CYS CA . 30705 1 738 . 1 . 1 66 66 CYS CB C 13 27.908 0.40 . 1 . . . . A 368 CYS CB . 30705 1 739 . 1 . 1 66 66 CYS N N 15 124.128 0.40 . 1 . . . . A 368 CYS N . 30705 1 740 . 1 . 1 67 67 ARG H H 1 7.753 0.04 . 1 . . . . A 369 ARG H . 30705 1 741 . 1 . 1 67 67 ARG HA H 1 3.882 0.04 . 1 . . . . A 369 ARG HA . 30705 1 742 . 1 . 1 67 67 ARG HB2 H 1 1.420 0.04 . 2 . . . . A 369 ARG HB2 . 30705 1 743 . 1 . 1 67 67 ARG HB3 H 1 1.530 0.04 . 2 . . . . A 369 ARG HB3 . 30705 1 744 . 1 . 1 67 67 ARG HG2 H 1 1.277 0.04 . 2 . . . . A 369 ARG HG2 . 30705 1 745 . 1 . 1 67 67 ARG HG3 H 1 1.333 0.04 . 2 . . . . A 369 ARG HG3 . 30705 1 746 . 1 . 1 67 67 ARG HD2 H 1 2.889 0.04 . 2 . . . . A 369 ARG HD2 . 30705 1 747 . 1 . 1 67 67 ARG HD3 H 1 2.889 0.04 . 2 . . . . A 369 ARG HD3 . 30705 1 748 . 1 . 1 67 67 ARG C C 13 173.160 0.40 . 1 . . . . A 369 ARG C . 30705 1 749 . 1 . 1 67 67 ARG CA C 13 53.415 0.40 . 1 . . . . A 369 ARG CA . 30705 1 750 . 1 . 1 67 67 ARG CB C 13 27.419 0.40 . 1 . . . . A 369 ARG CB . 30705 1 751 . 1 . 1 67 67 ARG CG C 13 23.378 0.40 . 1 . . . . A 369 ARG CG . 30705 1 752 . 1 . 1 67 67 ARG CD C 13 40.648 0.40 . 1 . . . . A 369 ARG CD . 30705 1 753 . 1 . 1 67 67 ARG N N 15 118.039 0.40 . 1 . . . . A 369 ARG N . 30705 1 754 . 1 . 1 68 68 THR H H 1 7.865 0.04 . 1 . . . . A 370 THR H . 30705 1 755 . 1 . 1 68 68 THR HA H 1 4.099 0.04 . 1 . . . . A 370 THR HA . 30705 1 756 . 1 . 1 68 68 THR HB H 1 4.005 0.04 . 1 . . . . A 370 THR HB . 30705 1 757 . 1 . 1 68 68 THR HG21 H 1 0.988 0.04 . 1 . . . . A 370 THR HG21 . 30705 1 758 . 1 . 1 68 68 THR HG22 H 1 0.988 0.04 . 1 . . . . A 370 THR HG22 . 30705 1 759 . 1 . 1 68 68 THR HG23 H 1 0.988 0.04 . 1 . . . . A 370 THR HG23 . 30705 1 760 . 1 . 1 68 68 THR C C 13 171.497 0.40 . 1 . . . . A 370 THR C . 30705 1 761 . 1 . 1 68 68 THR CA C 13 59.236 0.40 . 1 . . . . A 370 THR CA . 30705 1 762 . 1 . 1 68 68 THR CB C 13 67.044 0.40 . 1 . . . . A 370 THR CB . 30705 1 763 . 1 . 1 68 68 THR CG2 C 13 18.611 0.40 . 1 . . . . A 370 THR CG2 . 30705 1 764 . 1 . 1 68 68 THR N N 15 115.055 0.40 . 1 . . . . A 370 THR N . 30705 1 765 . 1 . 1 69 69 ASP H H 1 8.243 0.04 . 1 . . . . A 371 ASP H . 30705 1 766 . 1 . 1 69 69 ASP HA H 1 4.476 0.04 . 1 . . . . A 371 ASP HA . 30705 1 767 . 1 . 1 69 69 ASP HB2 H 1 2.487 0.04 . 2 . . . . A 371 ASP HB2 . 30705 1 768 . 1 . 1 69 69 ASP HB3 H 1 2.487 0.04 . 2 . . . . A 371 ASP HB3 . 30705 1 769 . 1 . 1 69 69 ASP C C 13 173.554 0.40 . 1 . . . . A 371 ASP C . 30705 1 770 . 1 . 1 69 69 ASP CA C 13 51.434 0.40 . 1 . . . . A 371 ASP CA . 30705 1 771 . 1 . 1 69 69 ASP CB C 13 38.398 0.40 . 1 . . . . A 371 ASP CB . 30705 1 772 . 1 . 1 69 69 ASP N N 15 122.979 0.40 . 1 . . . . A 371 ASP N . 30705 1 773 . 1 . 1 70 70 SER H H 1 8.179 0.04 . 1 . . . . A 372 SER H . 30705 1 774 . 1 . 1 70 70 SER HA H 1 4.312 0.04 . 1 . . . . A 372 SER HA . 30705 1 775 . 1 . 1 70 70 SER HB2 H 1 3.740 0.04 . 2 . . . . A 372 SER HB2 . 30705 1 776 . 1 . 1 70 70 SER HB3 H 1 3.740 0.04 . 2 . . . . A 372 SER HB3 . 30705 1 777 . 1 . 1 70 70 SER C C 13 172.022 0.40 . 1 . . . . A 372 SER C . 30705 1 778 . 1 . 1 70 70 SER CA C 13 55.581 0.40 . 1 . . . . A 372 SER CA . 30705 1 779 . 1 . 1 70 70 SER CB C 13 61.033 0.40 . 1 . . . . A 372 SER CB . 30705 1 780 . 1 . 1 70 70 SER N N 15 116.800 0.40 . 1 . . . . A 372 SER N . 30705 1 781 . 1 . 1 71 71 SER H H 1 8.289 0.04 . 1 . . . . A 373 SER H . 30705 1 782 . 1 . 1 71 71 SER HA H 1 4.271 0.04 . 1 . . . . A 373 SER HA . 30705 1 783 . 1 . 1 71 71 SER HB2 H 1 3.730 0.04 . 2 . . . . A 373 SER HB2 . 30705 1 784 . 1 . 1 71 71 SER HB3 H 1 3.730 0.04 . 2 . . . . A 373 SER HB3 . 30705 1 785 . 1 . 1 71 71 SER C C 13 171.672 0.40 . 1 . . . . A 373 SER C . 30705 1 786 . 1 . 1 71 71 SER CA C 13 56.051 0.40 . 1 . . . . A 373 SER CA . 30705 1 787 . 1 . 1 71 71 SER CB C 13 60.858 0.40 . 1 . . . . A 373 SER CB . 30705 1 788 . 1 . 1 71 71 SER N N 15 118.069 0.40 . 1 . . . . A 373 SER N . 30705 1 789 . 1 . 1 72 72 GLU H H 1 8.208 0.04 . 1 . . . . A 374 GLU H . 30705 1 790 . 1 . 1 72 72 GLU HA H 1 4.152 0.04 . 1 . . . . A 374 GLU HA . 30705 1 791 . 1 . 1 72 72 GLU HB2 H 1 1.754 0.04 . 2 . . . . A 374 GLU HB2 . 30705 1 792 . 1 . 1 72 72 GLU HB3 H 1 1.896 0.04 . 2 . . . . A 374 GLU HB3 . 30705 1 793 . 1 . 1 72 72 GLU HG2 H 1 2.041 0.04 . 2 . . . . A 374 GLU HG2 . 30705 1 794 . 1 . 1 72 72 GLU HG3 H 1 2.041 0.04 . 2 . . . . A 374 GLU HG3 . 30705 1 795 . 1 . 1 72 72 GLU C C 13 173.466 0.40 . 1 . . . . A 374 GLU C . 30705 1 796 . 1 . 1 72 72 GLU CA C 13 54.042 0.40 . 1 . . . . A 374 GLU CA . 30705 1 797 . 1 . 1 72 72 GLU CB C 13 27.394 0.40 . 1 . . . . A 374 GLU CB . 30705 1 798 . 1 . 1 72 72 GLU CG C 13 33.348 0.40 . 1 . . . . A 374 GLU CG . 30705 1 799 . 1 . 1 72 72 GLU N N 15 122.499 0.40 . 1 . . . . A 374 GLU N . 30705 1 800 . 1 . 1 73 73 VAL H H 1 8.026 0.04 . 1 . . . . A 375 VAL H . 30705 1 801 . 1 . 1 73 73 VAL HA H 1 3.919 0.04 . 1 . . . . A 375 VAL HA . 30705 1 802 . 1 . 1 73 73 VAL HB H 1 1.875 0.04 . 1 . . . . A 375 VAL HB . 30705 1 803 . 1 . 1 73 73 VAL HG21 H 1 0.788 0.04 . 2 . . . . A 375 VAL HG21 . 30705 1 804 . 1 . 1 73 73 VAL HG22 H 1 0.788 0.04 . 2 . . . . A 375 VAL HG22 . 30705 1 805 . 1 . 1 73 73 VAL HG23 H 1 0.788 0.04 . 2 . . . . A 375 VAL HG23 . 30705 1 806 . 1 . 1 73 73 VAL C C 13 173.291 0.40 . 1 . . . . A 375 VAL C . 30705 1 807 . 1 . 1 73 73 VAL CA C 13 59.549 0.40 . 1 . . . . A 375 VAL CA . 30705 1 808 . 1 . 1 73 73 VAL CB C 13 29.708 0.40 . 1 . . . . A 375 VAL CB . 30705 1 809 . 1 . 1 73 73 VAL CG2 C 13 17.875 0.40 . 2 . . . . A 375 VAL CG2 . 30705 1 810 . 1 . 1 73 73 VAL N N 15 122.104 0.40 . 1 . . . . A 375 VAL N . 30705 1 811 . 1 . 1 74 74 VAL H H 1 8.173 0.04 . 1 . . . . A 376 VAL H . 30705 1 812 . 1 . 1 74 74 VAL HA H 1 3.924 0.04 . 1 . . . . A 376 VAL HA . 30705 1 813 . 1 . 1 74 74 VAL HB H 1 1.867 0.04 . 1 . . . . A 376 VAL HB . 30705 1 814 . 1 . 1 74 74 VAL HG21 H 1 0.744 0.04 . 2 . . . . A 376 VAL HG21 . 30705 1 815 . 1 . 1 74 74 VAL HG22 H 1 0.744 0.04 . 2 . . . . A 376 VAL HG22 . 30705 1 816 . 1 . 1 74 74 VAL HG23 H 1 0.744 0.04 . 2 . . . . A 376 VAL HG23 . 30705 1 817 . 1 . 1 74 74 VAL C C 13 173.291 0.40 . 1 . . . . A 376 VAL C . 30705 1 818 . 1 . 1 74 74 VAL CA C 13 59.415 0.40 . 1 . . . . A 376 VAL CA . 30705 1 819 . 1 . 1 74 74 VAL CB C 13 30.089 0.40 . 1 . . . . A 376 VAL CB . 30705 1 820 . 1 . 1 74 74 VAL CG2 C 13 18.093 0.40 . 2 . . . . A 376 VAL CG2 . 30705 1 821 . 1 . 1 74 74 VAL N N 15 125.483 0.40 . 1 . . . . A 376 VAL N . 30705 1 822 . 1 . 1 75 75 GLN H H 1 8.437 0.04 . 1 . . . . A 377 GLN H . 30705 1 823 . 1 . 1 75 75 GLN HA H 1 4.177 0.04 . 1 . . . . A 377 GLN HA . 30705 1 824 . 1 . 1 75 75 GLN HB2 H 1 1.821 0.04 . 2 . . . . A 377 GLN HB2 . 30705 1 825 . 1 . 1 75 75 GLN HB3 H 1 1.944 0.04 . 2 . . . . A 377 GLN HB3 . 30705 1 826 . 1 . 1 75 75 GLN HG2 H 1 2.224 0.04 . 2 . . . . A 377 GLN HG2 . 30705 1 827 . 1 . 1 75 75 GLN HG3 H 1 2.224 0.04 . 2 . . . . A 377 GLN HG3 . 30705 1 828 . 1 . 1 75 75 GLN HE21 H 1 6.745 0.04 . 2 . . . . A 377 GLN HE21 . 30705 1 829 . 1 . 1 75 75 GLN HE22 H 1 7.452 0.04 . 2 . . . . A 377 GLN HE22 . 30705 1 830 . 1 . 1 75 75 GLN C C 13 172.635 0.40 . 1 . . . . A 377 GLN C . 30705 1 831 . 1 . 1 75 75 GLN CA C 13 52.641 0.40 . 1 . . . . A 377 GLN CA . 30705 1 832 . 1 . 1 75 75 GLN CB C 13 26.572 0.40 . 1 . . . . A 377 GLN CB . 30705 1 833 . 1 . 1 75 75 GLN CG C 13 30.814 0.40 . 1 . . . . A 377 GLN CG . 30705 1 834 . 1 . 1 75 75 GLN N N 15 125.329 0.40 . 1 . . . . A 377 GLN N . 30705 1 835 . 1 . 1 75 75 GLN NE2 N 15 112.861 0.40 . 1 . . . . A 377 GLN NE2 . 30705 1 836 . 1 . 1 76 76 ALA H H 1 8.359 0.04 . 1 . . . . A 378 ALA H . 30705 1 837 . 1 . 1 76 76 ALA HA H 1 4.182 0.04 . 1 . . . . A 378 ALA HA . 30705 1 838 . 1 . 1 76 76 ALA HB1 H 1 1.269 0.04 . 1 . . . . A 378 ALA HB1 . 30705 1 839 . 1 . 1 76 76 ALA HB2 H 1 1.269 0.04 . 1 . . . . A 378 ALA HB2 . 30705 1 840 . 1 . 1 76 76 ALA HB3 H 1 1.269 0.04 . 1 . . . . A 378 ALA HB3 . 30705 1 841 . 1 . 1 76 76 ALA C C 13 175.304 0.40 . 1 . . . . A 378 ALA C . 30705 1 842 . 1 . 1 76 76 ALA CA C 13 49.806 0.40 . 1 . . . . A 378 ALA CA . 30705 1 843 . 1 . 1 76 76 ALA CB C 13 16.477 0.40 . 1 . . . . A 378 ALA CB . 30705 1 844 . 1 . 1 76 76 ALA N N 15 126.392 0.40 . 1 . . . . A 378 ALA N . 30705 1 845 . 1 . 1 77 77 GLY H H 1 8.296 0.04 . 1 . . . . A 379 GLY H . 30705 1 846 . 1 . 1 77 77 GLY HA2 H 1 3.801 0.04 . 2 . . . . A 379 GLY HA2 . 30705 1 847 . 1 . 1 77 77 GLY HA3 H 1 3.801 0.04 . 2 . . . . A 379 GLY HA3 . 30705 1 848 . 1 . 1 77 77 GLY C C 13 170.447 0.40 . 1 . . . . A 379 GLY C . 30705 1 849 . 1 . 1 77 77 GLY CA C 13 42.401 0.40 . 1 . . . . A 379 GLY CA . 30705 1 850 . 1 . 1 77 77 GLY N N 15 109.069 0.40 . 1 . . . . A 379 GLY N . 30705 1 851 . 1 . 1 78 78 GLU H H 1 7.807 0.04 . 1 . . . . A 380 GLU H . 30705 1 852 . 1 . 1 78 78 GLU HA H 1 3.998 0.04 . 1 . . . . A 380 GLU HA . 30705 1 853 . 1 . 1 78 78 GLU HB2 H 1 1.754 0.04 . 2 . . . . A 380 GLU HB2 . 30705 1 854 . 1 . 1 78 78 GLU HB3 H 1 1.906 0.04 . 2 . . . . A 380 GLU HB3 . 30705 1 855 . 1 . 1 78 78 GLU HG2 H 1 2.046 0.04 . 2 . . . . A 380 GLU HG2 . 30705 1 856 . 1 . 1 78 78 GLU HG3 H 1 2.046 0.04 . 2 . . . . A 380 GLU HG3 . 30705 1 857 . 1 . 1 78 78 GLU CA C 13 55.085 0.40 . 1 . . . . A 380 GLU CA . 30705 1 858 . 1 . 1 78 78 GLU CB C 13 28.264 0.40 . 1 . . . . A 380 GLU CB . 30705 1 859 . 1 . 1 78 78 GLU CG C 13 33.998 0.40 . 1 . . . . A 380 GLU CG . 30705 1 860 . 1 . 1 78 78 GLU N N 15 125.517 0.40 . 1 . . . . A 380 GLU N . 30705 1 stop_ save_