data_4382 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4382 _Entry.Title ; 1H, 13C and 15N Assigned Chemical Shifts for a Eukaryotic Rubredoxin from Guillardia theta ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-08-25 _Entry.Accession_date 1999-08-25 _Entry.Last_release_date 2000-11-30 _Entry.Original_release_date 2000-11-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kristian Schweimer . . . 4382 2 Silke Hoffmann . . . 4382 3 J. Wastl . . . 4382 4 U.-G. Maier . . . 4382 5 Paul Roesch . . . 4382 6 Heinrich Sticht . . . 4382 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4382 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 246 4382 '15N chemical shifts' 68 4382 '1H chemical shifts' 435 4382 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 . . 2000-11-30 1999-08-25 original author . 4382 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4382 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20427309 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of a Zinc Substituted Eukaryotic Rubredoxin from the Cryptomonad Algal Guillardia theta ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein Science' _Citation.Journal_volume 9 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1474 _Citation.Page_last 1486 _Citation.Year 2000 _Citation.Details ; First NMR assignments of a eukaryotic rubredoxin ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kristian Schweimer . . . 4382 1 2 Silke Hoffmann . . . 4382 1 3 J. Wastl . . . 4382 1 4 U.-G. Maier . . . 4382 1 5 Paul Roesch . . . 4382 1 6 Heinrich Sticht . . . 4382 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID rubredoxin 4382 1 stop_ save_ save_ref-1 _Citation.Sf_category citations _Citation.Sf_framecode ref-1 _Citation.Entry_ID 4382 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Johnson, B.A. and Blevins, R.A. J. Biomol. NMR 4(1994), 603-614 ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Rbx _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Rbx _Assembly.Entry_ID 4382 _Assembly.ID 1 _Assembly.Name Rubredoxin _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 'all other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'The Rubredoxin studied was Zinc-substituted' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4382 1 stop_ 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 rubredoxin 1 $Rbx . . . native . . . . . 4382 1 2 zinc 2 $ZN . . . native . . . . . 4382 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1DX8 . 'Chain A, Rubredoxin From Guillardia Theta' . . . . 4382 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Rbx abbreviation 4382 1 Rubredoxin system 4382 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'electron transfer protein' 4382 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rbx _Entity.Sf_category entity _Entity.Sf_framecode Rbx _Entity.Entry_ID 4382 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Guillardia Theta Rubredoxin' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEIDEGKYECEACGYIYEPE KGDKFAGIPPGTPFVDLSDS FMCPACRSPKNQFKSIKKVI AGFAENQKYG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-27 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 1DX8 . "Rubredoxin From Guillardia Theta" . . . . . 100.00 70 100.00 100.00 1.67e-42 . . . . 4382 1 no PDB 1H7V . "Rubredoxin From Guillardia Theta" . . . . . 85.71 60 100.00 100.00 7.01e-35 . . . . 4382 1 no EMBL CAB40406 . "rubredoxin [Guillardia theta]" . . . . . 100.00 159 100.00 100.00 1.41e-43 . . . . 4382 1 no REF XP_001713191 . "rubredoxin [Guillardia theta]" . . . . . 100.00 159 100.00 100.00 1.41e-43 . . . . 4382 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Guillardia Theta Rubredoxin' common 4382 1 rbx abbreviation 4382 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 . MET . 4382 1 2 . GLU . 4382 1 3 . ILE . 4382 1 4 . ASP . 4382 1 5 . GLU . 4382 1 6 . GLY . 4382 1 7 . LYS . 4382 1 8 . TYR . 4382 1 9 . GLU . 4382 1 10 . CYS . 4382 1 11 . GLU . 4382 1 12 . ALA . 4382 1 13 . CYS . 4382 1 14 . GLY . 4382 1 15 . TYR . 4382 1 16 . ILE . 4382 1 17 . TYR . 4382 1 18 . GLU . 4382 1 19 . PRO . 4382 1 20 . GLU . 4382 1 21 . LYS . 4382 1 22 . GLY . 4382 1 23 . ASP . 4382 1 24 . LYS . 4382 1 25 . PHE . 4382 1 26 . ALA . 4382 1 27 . GLY . 4382 1 28 . ILE . 4382 1 29 . PRO . 4382 1 30 . PRO . 4382 1 31 . GLY . 4382 1 32 . THR . 4382 1 33 . PRO . 4382 1 34 . PHE . 4382 1 35 . VAL . 4382 1 36 . ASP . 4382 1 37 . LEU . 4382 1 38 . SER . 4382 1 39 . ASP . 4382 1 40 . SER . 4382 1 41 . PHE . 4382 1 42 . MET . 4382 1 43 . CYS . 4382 1 44 . PRO . 4382 1 45 . ALA . 4382 1 46 . CYS . 4382 1 47 . ARG . 4382 1 48 . SER . 4382 1 49 . PRO . 4382 1 50 . LYS . 4382 1 51 . ASN . 4382 1 52 . GLN . 4382 1 53 . PHE . 4382 1 54 . LYS . 4382 1 55 . SER . 4382 1 56 . ILE . 4382 1 57 . LYS . 4382 1 58 . LYS . 4382 1 59 . VAL . 4382 1 60 . ILE . 4382 1 61 . ALA . 4382 1 62 . GLY . 4382 1 63 . PHE . 4382 1 64 . ALA . 4382 1 65 . GLU . 4382 1 66 . ASN . 4382 1 67 . GLN . 4382 1 68 . LYS . 4382 1 69 . TYR . 4382 1 70 . GLY . 4382 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 . MET 1 1 4382 1 . GLU 2 2 4382 1 . ILE 3 3 4382 1 . ASP 4 4 4382 1 . GLU 5 5 4382 1 . GLY 6 6 4382 1 . LYS 7 7 4382 1 . TYR 8 8 4382 1 . GLU 9 9 4382 1 . CYS 10 10 4382 1 . GLU 11 11 4382 1 . ALA 12 12 4382 1 . CYS 13 13 4382 1 . GLY 14 14 4382 1 . TYR 15 15 4382 1 . ILE 16 16 4382 1 . TYR 17 17 4382 1 . GLU 18 18 4382 1 . PRO 19 19 4382 1 . GLU 20 20 4382 1 . LYS 21 21 4382 1 . GLY 22 22 4382 1 . ASP 23 23 4382 1 . LYS 24 24 4382 1 . PHE 25 25 4382 1 . ALA 26 26 4382 1 . GLY 27 27 4382 1 . ILE 28 28 4382 1 . PRO 29 29 4382 1 . PRO 30 30 4382 1 . GLY 31 31 4382 1 . THR 32 32 4382 1 . PRO 33 33 4382 1 . PHE 34 34 4382 1 . VAL 35 35 4382 1 . ASP 36 36 4382 1 . LEU 37 37 4382 1 . SER 38 38 4382 1 . ASP 39 39 4382 1 . SER 40 40 4382 1 . PHE 41 41 4382 1 . MET 42 42 4382 1 . CYS 43 43 4382 1 . PRO 44 44 4382 1 . ALA 45 45 4382 1 . CYS 46 46 4382 1 . ARG 47 47 4382 1 . SER 48 48 4382 1 . PRO 49 49 4382 1 . LYS 50 50 4382 1 . ASN 51 51 4382 1 . GLN 52 52 4382 1 . PHE 53 53 4382 1 . LYS 54 54 4382 1 . SER 55 55 4382 1 . ILE 56 56 4382 1 . LYS 57 57 4382 1 . LYS 58 58 4382 1 . VAL 59 59 4382 1 . ILE 60 60 4382 1 . ALA 61 61 4382 1 . GLY 62 62 4382 1 . PHE 63 63 4382 1 . ALA 64 64 4382 1 . GLU 65 65 4382 1 . ASN 66 66 4382 1 . GLN 67 67 4382 1 . LYS 68 68 4382 1 . TYR 69 69 4382 1 . GLY 70 70 4382 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 4382 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 4382 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 4382 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Rbx . 55529 organism . 'Guillardia theta' 'Guillardia theta' . . Eukaryota . Guillardia theta . . . . . . . . . nucleomorph . . . . . . . . ; the Rbx-gene is encoded on the G.theta nucleomorph (chromosome II) ; . . 4382 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 4382 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Rbx . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET28a . . . . . . 4382 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 4382 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _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 . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 13:29:39 2011 ; _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 4382 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 4382 ZN [Zn++] SMILES CACTVS 3.341 4382 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 4382 ZN [Zn+2] SMILES ACDLabs 10.04 4382 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 4382 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4382 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 4382 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4382 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 . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4382 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4382 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Guillardia Theta Rubredoxin' '[U-95% 13C; U-95% 15N]' . . 1 $Rbx . . 2.6 . . mM . . . . 4382 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4382 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.4 0.2 n/a 4382 1 temperature 298 1.5 K 4382 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 4382 _Software.ID 1 _Software.Name NMRview _Software.Version 4.0.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID ; peak picking and visualization of the NMR data ; 4382 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref-1 4382 1 stop_ save_ save_Home_written_Software _Software.Sf_category software _Software.Sf_framecode Home_written_Software _Software.Entry_ID 4382 _Software.ID 2 _Software.Name 'Home written Software' _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID ; In-house developed software for data processing and automatic backbone assignment ; 4382 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4382 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4382 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 4382 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 4382 _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 '1H-1H NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4382 1 2 '1H-1H TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4382 1 3 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4382 1 4 '1H-13C CT-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4382 1 5 '15N-edited NOESY(3D)' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4382 1 6 '13C-edited NOESY(3D)' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4382 1 7 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4382 1 8 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4382 1 9 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4382 1 10 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4382 1 11 HBHA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4382 1 12 HNHA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4382 1 13 HCCH-COSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4382 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4382 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4382 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 4382 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4382 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4382 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4382 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.12 0.015 . 1 . . . . . . . . 4382 1 2 . 1 1 1 1 MET HB2 H 1 2.11 0.015 . 1 . . . . . . . . 4382 1 3 . 1 1 1 1 MET HB3 H 1 2.11 0.015 . 1 . . . . . . . . 4382 1 4 . 1 1 1 1 MET HG2 H 1 2.51 0.015 . 1 . . . . . . . . 4382 1 5 . 1 1 1 1 MET HG3 H 1 2.51 0.015 . 1 . . . . . . . . 4382 1 6 . 1 1 1 1 MET C C 13 171.76 0.1 . 1 . . . . . . . . 4382 1 7 . 1 1 1 1 MET CA C 13 55.11 0.1 . 1 . . . . . . . . 4382 1 8 . 1 1 1 1 MET CB C 13 33.13 0.1 . 1 . . . . . . . . 4382 1 9 . 1 1 1 1 MET CG C 13 30.86 0.1 . 1 . . . . . . . . 4382 1 10 . 1 1 2 2 GLU H H 1 8.80 0.015 . 1 . . . . . . . . 4382 1 11 . 1 1 2 2 GLU HA H 1 4.85 0.015 . 1 . . . . . . . . 4382 1 12 . 1 1 2 2 GLU HB2 H 1 1.88 0.015 . 1 . . . . . . . . 4382 1 13 . 1 1 2 2 GLU HB3 H 1 1.88 0.015 . 1 . . . . . . . . 4382 1 14 . 1 1 2 2 GLU HG2 H 1 2.18 0.015 . 1 . . . . . . . . 4382 1 15 . 1 1 2 2 GLU HG3 H 1 2.18 0.015 . 1 . . . . . . . . 4382 1 16 . 1 1 2 2 GLU C C 13 175.68 0.1 . 1 . . . . . . . . 4382 1 17 . 1 1 2 2 GLU CA C 13 55.51 0.1 . 1 . . . . . . . . 4382 1 18 . 1 1 2 2 GLU CB C 13 31.60 0.1 . 1 . . . . . . . . 4382 1 19 . 1 1 2 2 GLU CG C 13 36.55 0.1 . 1 . . . . . . . . 4382 1 20 . 1 1 2 2 GLU N N 15 124.26 0.1 . 1 . . . . . . . . 4382 1 21 . 1 1 3 3 ILE H H 1 8.83 0.015 . 1 . . . . . . . . 4382 1 22 . 1 1 3 3 ILE HA H 1 4.28 0.015 . 1 . . . . . . . . 4382 1 23 . 1 1 3 3 ILE HB H 1 1.79 0.015 . 1 . . . . . . . . 4382 1 24 . 1 1 3 3 ILE HG12 H 1 1.11 0.015 . 2 . . . . . . . . 4382 1 25 . 1 1 3 3 ILE HG13 H 1 1.40 0.015 . 2 . . . . . . . . 4382 1 26 . 1 1 3 3 ILE HG21 H 1 0.85 0.015 . 1 . . . . . . . . 4382 1 27 . 1 1 3 3 ILE HG22 H 1 0.85 0.015 . 1 . . . . . . . . 4382 1 28 . 1 1 3 3 ILE HG23 H 1 0.85 0.015 . 1 . . . . . . . . 4382 1 29 . 1 1 3 3 ILE HD11 H 1 0.80 0.015 . 1 . . . . . . . . 4382 1 30 . 1 1 3 3 ILE HD12 H 1 0.80 0.015 . 1 . . . . . . . . 4382 1 31 . 1 1 3 3 ILE HD13 H 1 0.80 0.015 . 1 . . . . . . . . 4382 1 32 . 1 1 3 3 ILE C C 13 174.79 0.1 . 1 . . . . . . . . 4382 1 33 . 1 1 3 3 ILE CA C 13 60.48 0.1 . 1 . . . . . . . . 4382 1 34 . 1 1 3 3 ILE CB C 13 40.15 0.1 . 1 . . . . . . . . 4382 1 35 . 1 1 3 3 ILE CG1 C 13 27.27 0.1 . 1 . . . . . . . . 4382 1 36 . 1 1 3 3 ILE CG2 C 13 17.60 0.1 . 1 . . . . . . . . 4382 1 37 . 1 1 3 3 ILE CD1 C 13 13.11 0.1 . 1 . . . . . . . . 4382 1 38 . 1 1 3 3 ILE N N 15 122.22 0.1 . 1 . . . . . . . . 4382 1 39 . 1 1 4 4 ASP H H 1 8.64 0.015 . 1 . . . . . . . . 4382 1 40 . 1 1 4 4 ASP HA H 1 4.73 0.015 . 1 . . . . . . . . 4382 1 41 . 1 1 4 4 ASP HB2 H 1 2.49 0.015 . 2 . . . . . . . . 4382 1 42 . 1 1 4 4 ASP HB3 H 1 2.87 0.015 . 2 . . . . . . . . 4382 1 43 . 1 1 4 4 ASP C C 13 176.30 0.1 . 1 . . . . . . . . 4382 1 44 . 1 1 4 4 ASP CA C 13 53.90 0.1 . 1 . . . . . . . . 4382 1 45 . 1 1 4 4 ASP CB C 13 41.45 0.1 . 1 . . . . . . . . 4382 1 46 . 1 1 4 4 ASP N N 15 124.71 0.1 . 1 . . . . . . . . 4382 1 47 . 1 1 5 5 GLU H H 1 8.97 0.015 . 1 . . . . . . . . 4382 1 48 . 1 1 5 5 GLU HA H 1 4.43 0.015 . 1 . . . . . . . . 4382 1 49 . 1 1 5 5 GLU HB2 H 1 1.90 0.015 . 2 . . . . . . . . 4382 1 50 . 1 1 5 5 GLU HB3 H 1 2.26 0.015 . 2 . . . . . . . . 4382 1 51 . 1 1 5 5 GLU HG2 H 1 2.14 0.015 . 1 . . . . . . . . 4382 1 52 . 1 1 5 5 GLU HG3 H 1 2.14 0.015 . 1 . . . . . . . . 4382 1 53 . 1 1 5 5 GLU C C 13 177.11 0.1 . 1 . . . . . . . . 4382 1 54 . 1 1 5 5 GLU CA C 13 56.05 0.1 . 1 . . . . . . . . 4382 1 55 . 1 1 5 5 GLU CB C 13 30.72 0.1 . 1 . . . . . . . . 4382 1 56 . 1 1 5 5 GLU CG C 13 36.40 0.1 . 1 . . . . . . . . 4382 1 57 . 1 1 5 5 GLU N N 15 124.76 0.1 . 1 . . . . . . . . 4382 1 58 . 1 1 6 6 GLY H H 1 8.93 0.015 . 1 . . . . . . . . 4382 1 59 . 1 1 6 6 GLY HA2 H 1 4.02 0.015 . 2 . . . . . . . . 4382 1 60 . 1 1 6 6 GLY HA3 H 1 4.13 0.015 . 2 . . . . . . . . 4382 1 61 . 1 1 6 6 GLY C C 13 174.08 0.1 . 1 . . . . . . . . 4382 1 62 . 1 1 6 6 GLY CA C 13 45.96 0.1 . 1 . . . . . . . . 4382 1 63 . 1 1 6 6 GLY N N 15 110.24 0.1 . 1 . . . . . . . . 4382 1 64 . 1 1 7 7 LYS H H 1 8.06 0.015 . 1 . . . . . . . . 4382 1 65 . 1 1 7 7 LYS HA H 1 4.97 0.015 . 1 . . . . . . . . 4382 1 66 . 1 1 7 7 LYS HB2 H 1 1.64 0.015 . 2 . . . . . . . . 4382 1 67 . 1 1 7 7 LYS HB3 H 1 1.74 0.015 . 2 . . . . . . . . 4382 1 68 . 1 1 7 7 LYS C C 13 176.66 0.1 . 1 . . . . . . . . 4382 1 69 . 1 1 7 7 LYS CA C 13 56.79 0.1 . 1 . . . . . . . . 4382 1 70 . 1 1 7 7 LYS CB C 13 34.23 0.1 . 1 . . . . . . . . 4382 1 71 . 1 1 7 7 LYS N N 15 118.11 0.1 . 1 . . . . . . . . 4382 1 72 . 1 1 8 8 TYR H H 1 8.21 0.015 . 1 . . . . . . . . 4382 1 73 . 1 1 8 8 TYR HA H 1 5.05 0.015 . 1 . . . . . . . . 4382 1 74 . 1 1 8 8 TYR HB2 H 1 2.28 0.015 . 1 . . . . . . . . 4382 1 75 . 1 1 8 8 TYR HB3 H 1 2.28 0.015 . 1 . . . . . . . . 4382 1 76 . 1 1 8 8 TYR HD1 H 1 6.45 0.015 . 1 . . . . . . . . 4382 1 77 . 1 1 8 8 TYR HD2 H 1 6.45 0.015 . 1 . . . . . . . . 4382 1 78 . 1 1 8 8 TYR HE1 H 1 6.52 0.015 . 1 . . . . . . . . 4382 1 79 . 1 1 8 8 TYR HE2 H 1 6.52 0.015 . 1 . . . . . . . . 4382 1 80 . 1 1 8 8 TYR C C 13 173.25 0.1 . 1 . . . . . . . . 4382 1 81 . 1 1 8 8 TYR CA C 13 56.72 0.1 . 1 . . . . . . . . 4382 1 82 . 1 1 8 8 TYR CB C 13 44.03 0.1 . 1 . . . . . . . . 4382 1 83 . 1 1 8 8 TYR N N 15 120.93 0.1 . 1 . . . . . . . . 4382 1 84 . 1 1 9 9 GLU H H 1 9.59 0.015 . 1 . . . . . . . . 4382 1 85 . 1 1 9 9 GLU HA H 1 5.32 0.015 . 1 . . . . . . . . 4382 1 86 . 1 1 9 9 GLU HB2 H 1 1.77 0.015 . 1 . . . . . . . . 4382 1 87 . 1 1 9 9 GLU HB3 H 1 1.77 0.015 . 1 . . . . . . . . 4382 1 88 . 1 1 9 9 GLU C C 13 174.70 0.1 . 1 . . . . . . . . 4382 1 89 . 1 1 9 9 GLU CA C 13 53.52 0.1 . 1 . . . . . . . . 4382 1 90 . 1 1 9 9 GLU CB C 13 34.31 0.1 . 1 . . . . . . . . 4382 1 91 . 1 1 9 9 GLU N N 15 122.89 0.1 . 1 . . . . . . . . 4382 1 92 . 1 1 10 10 CYS H H 1 9.51 0.015 . 1 . . . . . . . . 4382 1 93 . 1 1 10 10 CYS HA H 1 2.77 0.015 . 1 . . . . . . . . 4382 1 94 . 1 1 10 10 CYS HB2 H 1 2.50 0.015 . 2 . . . . . . . . 4382 1 95 . 1 1 10 10 CYS HB3 H 1 3.10 0.015 . 2 . . . . . . . . 4382 1 96 . 1 1 10 10 CYS C C 13 177.55 0.1 . 1 . . . . . . . . 4382 1 97 . 1 1 10 10 CYS CA C 13 59.73 0.1 . 1 . . . . . . . . 4382 1 98 . 1 1 10 10 CYS CB C 13 31.25 0.1 . 1 . . . . . . . . 4382 1 99 . 1 1 10 10 CYS N N 15 131.67 0.1 . 1 . . . . . . . . 4382 1 100 . 1 1 11 11 GLU H H 1 8.00 0.015 . 1 . . . . . . . . 4382 1 101 . 1 1 11 11 GLU HA H 1 3.95 0.015 . 1 . . . . . . . . 4382 1 102 . 1 1 11 11 GLU HB2 H 1 2.09 0.015 . 2 . . . . . . . . 4382 1 103 . 1 1 11 11 GLU HB3 H 1 2.21 0.015 . 2 . . . . . . . . 4382 1 104 . 1 1 11 11 GLU HG2 H 1 2.39 0.015 . 2 . . . . . . . . 4382 1 105 . 1 1 11 11 GLU HG3 H 1 2.21 0.015 . 2 . . . . . . . . 4382 1 106 . 1 1 11 11 GLU C C 13 176.67 0.1 . 1 . . . . . . . . 4382 1 107 . 1 1 11 11 GLU CA C 13 59.72 0.1 . 1 . . . . . . . . 4382 1 108 . 1 1 11 11 GLU CB C 13 29.79 0.1 . 1 . . . . . . . . 4382 1 109 . 1 1 11 11 GLU CG C 13 37.06 0.1 . 1 . . . . . . . . 4382 1 110 . 1 1 11 11 GLU N N 15 132.80 0.1 . 1 . . . . . . . . 4382 1 111 . 1 1 12 12 ALA H H 1 8.82 0.015 . 1 . . . . . . . . 4382 1 112 . 1 1 12 12 ALA HA H 1 4.15 0.015 . 1 . . . . . . . . 4382 1 113 . 1 1 12 12 ALA HB1 H 1 1.39 0.015 . 1 . . . . . . . . 4382 1 114 . 1 1 12 12 ALA HB2 H 1 1.39 0.015 . 1 . . . . . . . . 4382 1 115 . 1 1 12 12 ALA HB3 H 1 1.39 0.015 . 1 . . . . . . . . 4382 1 116 . 1 1 12 12 ALA C C 13 180.15 0.1 . 1 . . . . . . . . 4382 1 117 . 1 1 12 12 ALA CA C 13 55.29 0.1 . 1 . . . . . . . . 4382 1 118 . 1 1 12 12 ALA CB C 13 19.88 0.1 . 1 . . . . . . . . 4382 1 119 . 1 1 12 12 ALA N N 15 123.96 0.1 . 1 . . . . . . . . 4382 1 120 . 1 1 13 13 CYS H H 1 8.85 0.015 . 1 . . . . . . . . 4382 1 121 . 1 1 13 13 CYS HA H 1 5.12 0.015 . 1 . . . . . . . . 4382 1 122 . 1 1 13 13 CYS HB2 H 1 2.50 0.015 . 2 . . . . . . . . 4382 1 123 . 1 1 13 13 CYS HB3 H 1 3.26 0.015 . 2 . . . . . . . . 4382 1 124 . 1 1 13 13 CYS C C 13 177.02 0.1 . 1 . . . . . . . . 4382 1 125 . 1 1 13 13 CYS CA C 13 58.77 0.1 . 1 . . . . . . . . 4382 1 126 . 1 1 13 13 CYS CB C 13 34.16 0.1 . 1 . . . . . . . . 4382 1 127 . 1 1 13 13 CYS N N 15 117.88 0.1 . 1 . . . . . . . . 4382 1 128 . 1 1 14 14 GLY H H 1 8.29 0.015 . 1 . . . . . . . . 4382 1 129 . 1 1 14 14 GLY HA2 H 1 3.80 0.015 . 2 . . . . . . . . 4382 1 130 . 1 1 14 14 GLY HA3 H 1 4.32 0.015 . 2 . . . . . . . . 4382 1 131 . 1 1 14 14 GLY C C 13 174.10 0.1 . 1 . . . . . . . . 4382 1 132 . 1 1 14 14 GLY CA C 13 45.88 0.1 . 1 . . . . . . . . 4382 1 133 . 1 1 14 14 GLY N N 15 113.69 0.1 . 1 . . . . . . . . 4382 1 134 . 1 1 15 15 TYR H H 1 9.25 0.015 . 1 . . . . . . . . 4382 1 135 . 1 1 15 15 TYR HA H 1 4.16 0.015 . 1 . . . . . . . . 4382 1 136 . 1 1 15 15 TYR HB2 H 1 3.03 0.015 . 1 . . . . . . . . 4382 1 137 . 1 1 15 15 TYR HB3 H 1 3.03 0.015 . 1 . . . . . . . . 4382 1 138 . 1 1 15 15 TYR HD1 H 1 7.31 0.015 . 1 . . . . . . . . 4382 1 139 . 1 1 15 15 TYR HD2 H 1 7.31 0.015 . 1 . . . . . . . . 4382 1 140 . 1 1 15 15 TYR HE1 H 1 7.01 0.015 . 1 . . . . . . . . 4382 1 141 . 1 1 15 15 TYR HE2 H 1 7.01 0.015 . 1 . . . . . . . . 4382 1 142 . 1 1 15 15 TYR C C 13 173.50 0.1 . 1 . . . . . . . . 4382 1 143 . 1 1 15 15 TYR CA C 13 60.78 0.1 . 1 . . . . . . . . 4382 1 144 . 1 1 15 15 TYR CB C 13 40.37 0.1 . 1 . . . . . . . . 4382 1 145 . 1 1 15 15 TYR N N 15 127.96 0.1 . 1 . . . . . . . . 4382 1 146 . 1 1 16 16 ILE H H 1 7.32 0.015 . 1 . . . . . . . . 4382 1 147 . 1 1 16 16 ILE HA H 1 4.76 0.015 . 1 . . . . . . . . 4382 1 148 . 1 1 16 16 ILE HB H 1 1.57 0.015 . 1 . . . . . . . . 4382 1 149 . 1 1 16 16 ILE HG12 H 1 1.71 0.015 . 2 . . . . . . . . 4382 1 150 . 1 1 16 16 ILE HG13 H 1 0.90 0.015 . 2 . . . . . . . . 4382 1 151 . 1 1 16 16 ILE HG21 H 1 0.67 0.015 . 1 . . . . . . . . 4382 1 152 . 1 1 16 16 ILE HG22 H 1 0.67 0.015 . 1 . . . . . . . . 4382 1 153 . 1 1 16 16 ILE HG23 H 1 0.67 0.015 . 1 . . . . . . . . 4382 1 154 . 1 1 16 16 ILE HD11 H 1 0.75 0.015 . 1 . . . . . . . . 4382 1 155 . 1 1 16 16 ILE HD12 H 1 0.75 0.015 . 1 . . . . . . . . 4382 1 156 . 1 1 16 16 ILE HD13 H 1 0.75 0.015 . 1 . . . . . . . . 4382 1 157 . 1 1 16 16 ILE C C 13 174.91 0.1 . 1 . . . . . . . . 4382 1 158 . 1 1 16 16 ILE CA C 13 59.18 0.1 . 1 . . . . . . . . 4382 1 159 . 1 1 16 16 ILE CB C 13 40.06 0.1 . 1 . . . . . . . . 4382 1 160 . 1 1 16 16 ILE CG1 C 13 27.63 0.1 . 1 . . . . . . . . 4382 1 161 . 1 1 16 16 ILE CG2 C 13 17.86 0.1 . 1 . . . . . . . . 4382 1 162 . 1 1 16 16 ILE CD1 C 13 12.72 0.1 . 1 . . . . . . . . 4382 1 163 . 1 1 16 16 ILE N N 15 127.41 0.1 . 1 . . . . . . . . 4382 1 164 . 1 1 17 17 TYR H H 1 9.61 0.015 . 1 . . . . . . . . 4382 1 165 . 1 1 17 17 TYR HA H 1 4.53 0.015 . 1 . . . . . . . . 4382 1 166 . 1 1 17 17 TYR HB2 H 1 3.06 0.015 . 1 . . . . . . . . 4382 1 167 . 1 1 17 17 TYR HB3 H 1 3.06 0.015 . 1 . . . . . . . . 4382 1 168 . 1 1 17 17 TYR HD1 H 1 7.21 0.015 . 1 . . . . . . . . 4382 1 169 . 1 1 17 17 TYR HD2 H 1 7.21 0.015 . 1 . . . . . . . . 4382 1 170 . 1 1 17 17 TYR HE1 H 1 6.53 0.015 . 1 . . . . . . . . 4382 1 171 . 1 1 17 17 TYR HE2 H 1 6.53 0.015 . 1 . . . . . . . . 4382 1 172 . 1 1 17 17 TYR HH H 1 9.20 0.015 . 1 . . . . . . . . 4382 1 173 . 1 1 17 17 TYR C C 13 173.91 0.1 . 1 . . . . . . . . 4382 1 174 . 1 1 17 17 TYR CA C 13 58.48 0.1 . 1 . . . . . . . . 4382 1 175 . 1 1 17 17 TYR CB C 13 39.85 0.1 . 1 . . . . . . . . 4382 1 176 . 1 1 17 17 TYR N N 15 126.92 0.1 . 1 . . . . . . . . 4382 1 177 . 1 1 18 18 GLU H H 1 8.47 0.015 . 1 . . . . . . . . 4382 1 178 . 1 1 18 18 GLU HA H 1 4.73 0.015 . 1 . . . . . . . . 4382 1 179 . 1 1 18 18 GLU HB2 H 1 1.91 0.015 . 1 . . . . . . . . 4382 1 180 . 1 1 18 18 GLU HB3 H 1 1.91 0.015 . 1 . . . . . . . . 4382 1 181 . 1 1 18 18 GLU HG2 H 1 2.25 0.015 . 2 . . . . . . . . 4382 1 182 . 1 1 18 18 GLU HG3 H 1 1.75 0.015 . 2 . . . . . . . . 4382 1 183 . 1 1 18 18 GLU CA C 13 52.30 0.1 . 1 . . . . . . . . 4382 1 184 . 1 1 18 18 GLU CB C 13 30.51 0.1 . 1 . . . . . . . . 4382 1 185 . 1 1 18 18 GLU CG C 13 37.53 0.1 . 1 . . . . . . . . 4382 1 186 . 1 1 18 18 GLU N N 15 128.68 0.1 . 1 . . . . . . . . 4382 1 187 . 1 1 19 19 PRO HA H 1 4.05 0.015 . 1 . . . . . . . . 4382 1 188 . 1 1 19 19 PRO HB2 H 1 1.95 0.015 . 2 . . . . . . . . 4382 1 189 . 1 1 19 19 PRO HB3 H 1 2.38 0.015 . 2 . . . . . . . . 4382 1 190 . 1 1 19 19 PRO HG2 H 1 2.20 0.015 . 1 . . . . . . . . 4382 1 191 . 1 1 19 19 PRO HG3 H 1 2.20 0.015 . 1 . . . . . . . . 4382 1 192 . 1 1 19 19 PRO HD2 H 1 3.85 0.015 . 2 . . . . . . . . 4382 1 193 . 1 1 19 19 PRO HD3 H 1 4.00 0.015 . 2 . . . . . . . . 4382 1 194 . 1 1 19 19 PRO C C 13 177.78 0.1 . 1 . . . . . . . . 4382 1 195 . 1 1 19 19 PRO CA C 13 64.74 0.1 . 1 . . . . . . . . 4382 1 196 . 1 1 19 19 PRO CB C 13 32.51 0.1 . 1 . . . . . . . . 4382 1 197 . 1 1 19 19 PRO CG C 13 28.20 0.1 . 1 . . . . . . . . 4382 1 198 . 1 1 19 19 PRO CD C 13 51.78 0.1 . 1 . . . . . . . . 4382 1 199 . 1 1 20 20 GLU H H 1 9.17 0.015 . 1 . . . . . . . . 4382 1 200 . 1 1 20 20 GLU HA H 1 3.92 0.015 . 1 . . . . . . . . 4382 1 201 . 1 1 20 20 GLU HB2 H 1 1.98 0.015 . 1 . . . . . . . . 4382 1 202 . 1 1 20 20 GLU HB3 H 1 1.98 0.015 . 1 . . . . . . . . 4382 1 203 . 1 1 20 20 GLU HG2 H 1 2.32 0.015 . 1 . . . . . . . . 4382 1 204 . 1 1 20 20 GLU HG3 H 1 2.32 0.015 . 1 . . . . . . . . 4382 1 205 . 1 1 20 20 GLU C C 13 177.66 0.1 . 1 . . . . . . . . 4382 1 206 . 1 1 20 20 GLU CA C 13 59.12 0.1 . 1 . . . . . . . . 4382 1 207 . 1 1 20 20 GLU CB C 13 29.52 0.1 . 1 . . . . . . . . 4382 1 208 . 1 1 20 20 GLU N N 15 114.65 0.1 . 1 . . . . . . . . 4382 1 209 . 1 1 21 21 LYS H H 1 7.46 0.015 . 1 . . . . . . . . 4382 1 210 . 1 1 21 21 LYS HA H 1 4.34 0.015 . 1 . . . . . . . . 4382 1 211 . 1 1 21 21 LYS HB2 H 1 1.88 0.015 . 1 . . . . . . . . 4382 1 212 . 1 1 21 21 LYS HB3 H 1 1.88 0.015 . 1 . . . . . . . . 4382 1 213 . 1 1 21 21 LYS HG2 H 1 1.40 0.015 . 2 . . . . . . . . 4382 1 214 . 1 1 21 21 LYS HG3 H 1 1.34 0.015 . 2 . . . . . . . . 4382 1 215 . 1 1 21 21 LYS HD2 H 1 1.64 0.015 . 1 . . . . . . . . 4382 1 216 . 1 1 21 21 LYS HD3 H 1 1.64 0.015 . 1 . . . . . . . . 4382 1 217 . 1 1 21 21 LYS C C 13 178.74 0.1 . 1 . . . . . . . . 4382 1 218 . 1 1 21 21 LYS CA C 13 56.75 0.1 . 1 . . . . . . . . 4382 1 219 . 1 1 21 21 LYS CB C 13 34.37 0.1 . 1 . . . . . . . . 4382 1 220 . 1 1 21 21 LYS CG C 13 25.39 0.1 . 1 . . . . . . . . 4382 1 221 . 1 1 21 21 LYS N N 15 115.81 0.1 . 1 . . . . . . . . 4382 1 222 . 1 1 22 22 GLY H H 1 7.91 0.015 . 1 . . . . . . . . 4382 1 223 . 1 1 22 22 GLY HA2 H 1 3.71 0.015 . 1 . . . . . . . . 4382 1 224 . 1 1 22 22 GLY HA3 H 1 3.71 0.015 . 1 . . . . . . . . 4382 1 225 . 1 1 22 22 GLY C C 13 173.19 0.1 . 1 . . . . . . . . 4382 1 226 . 1 1 22 22 GLY CA C 13 45.19 0.1 . 1 . . . . . . . . 4382 1 227 . 1 1 22 22 GLY N N 15 108.07 0.1 . 1 . . . . . . . . 4382 1 228 . 1 1 23 23 ASP H H 1 8.85 0.015 . 1 . . . . . . . . 4382 1 229 . 1 1 23 23 ASP HA H 1 4.89 0.015 . 1 . . . . . . . . 4382 1 230 . 1 1 23 23 ASP HB2 H 1 2.89 0.015 . 1 . . . . . . . . 4382 1 231 . 1 1 23 23 ASP HB3 H 1 2.89 0.015 . 1 . . . . . . . . 4382 1 232 . 1 1 23 23 ASP C C 13 175.75 0.1 . 1 . . . . . . . . 4382 1 233 . 1 1 23 23 ASP CA C 13 55.59 0.1 . 1 . . . . . . . . 4382 1 234 . 1 1 23 23 ASP CB C 13 43.68 0.1 . 1 . . . . . . . . 4382 1 235 . 1 1 23 23 ASP N N 15 121.08 0.1 . 1 . . . . . . . . 4382 1 236 . 1 1 24 24 LYS H H 1 9.06 0.015 . 1 . . . . . . . . 4382 1 237 . 1 1 24 24 LYS HA H 1 4.10 0.015 . 1 . . . . . . . . 4382 1 238 . 1 1 24 24 LYS HB2 H 1 1.72 0.015 . 2 . . . . . . . . 4382 1 239 . 1 1 24 24 LYS HB3 H 1 1.82 0.015 . 2 . . . . . . . . 4382 1 240 . 1 1 24 24 LYS HG2 H 1 1.27 0.015 . 1 . . . . . . . . 4382 1 241 . 1 1 24 24 LYS HG3 H 1 1.27 0.015 . 1 . . . . . . . . 4382 1 242 . 1 1 24 24 LYS C C 13 179.27 0.1 . 1 . . . . . . . . 4382 1 243 . 1 1 24 24 LYS CA C 13 59.31 0.1 . 1 . . . . . . . . 4382 1 244 . 1 1 24 24 LYS CB C 13 32.29 0.1 . 1 . . . . . . . . 4382 1 245 . 1 1 24 24 LYS CG C 13 24.40 0.1 . 1 . . . . . . . . 4382 1 246 . 1 1 24 24 LYS N N 15 129.33 0.1 . 1 . . . . . . . . 4382 1 247 . 1 1 25 25 PHE H H 1 8.47 0.015 . 1 . . . . . . . . 4382 1 248 . 1 1 25 25 PHE HA H 1 4.35 0.015 . 1 . . . . . . . . 4382 1 249 . 1 1 25 25 PHE HB2 H 1 3.33 0.015 . 1 . . . . . . . . 4382 1 250 . 1 1 25 25 PHE HB3 H 1 3.33 0.015 . 1 . . . . . . . . 4382 1 251 . 1 1 25 25 PHE HD1 H 1 7.39 0.015 . 1 . . . . . . . . 4382 1 252 . 1 1 25 25 PHE HD2 H 1 7.39 0.015 . 1 . . . . . . . . 4382 1 253 . 1 1 25 25 PHE HE1 H 1 7.31 0.015 . 1 . . . . . . . . 4382 1 254 . 1 1 25 25 PHE HE2 H 1 7.31 0.015 . 1 . . . . . . . . 4382 1 255 . 1 1 25 25 PHE C C 13 177.46 0.1 . 1 . . . . . . . . 4382 1 256 . 1 1 25 25 PHE CA C 13 60.85 0.1 . 1 . . . . . . . . 4382 1 257 . 1 1 25 25 PHE CB C 13 38.06 0.1 . 1 . . . . . . . . 4382 1 258 . 1 1 25 25 PHE N N 15 121.63 0.1 . 1 . . . . . . . . 4382 1 259 . 1 1 26 26 ALA H H 1 8.42 0.015 . 1 . . . . . . . . 4382 1 260 . 1 1 26 26 ALA HA H 1 4.44 0.015 . 1 . . . . . . . . 4382 1 261 . 1 1 26 26 ALA HB1 H 1 1.57 0.015 . 1 . . . . . . . . 4382 1 262 . 1 1 26 26 ALA HB2 H 1 1.57 0.015 . 1 . . . . . . . . 4382 1 263 . 1 1 26 26 ALA HB3 H 1 1.57 0.015 . 1 . . . . . . . . 4382 1 264 . 1 1 26 26 ALA C C 13 177.42 0.1 . 1 . . . . . . . . 4382 1 265 . 1 1 26 26 ALA CA C 13 51.66 0.1 . 1 . . . . . . . . 4382 1 266 . 1 1 26 26 ALA CB C 13 19.77 0.1 . 1 . . . . . . . . 4382 1 267 . 1 1 26 26 ALA N N 15 120.55 0.1 . 1 . . . . . . . . 4382 1 268 . 1 1 27 27 GLY H H 1 7.77 0.015 . 1 . . . . . . . . 4382 1 269 . 1 1 27 27 GLY HA2 H 1 3.82 0.015 . 2 . . . . . . . . 4382 1 270 . 1 1 27 27 GLY HA3 H 1 4.02 0.015 . 2 . . . . . . . . 4382 1 271 . 1 1 27 27 GLY C C 13 174.60 0.1 . 1 . . . . . . . . 4382 1 272 . 1 1 27 27 GLY CA C 13 46.38 0.1 . 1 . . . . . . . . 4382 1 273 . 1 1 27 27 GLY N N 15 107.96 0.1 . 1 . . . . . . . . 4382 1 274 . 1 1 28 28 ILE H H 1 8.24 0.015 . 1 . . . . . . . . 4382 1 275 . 1 1 28 28 ILE HA H 1 4.56 0.015 . 1 . . . . . . . . 4382 1 276 . 1 1 28 28 ILE HB H 1 1.96 0.015 . 1 . . . . . . . . 4382 1 277 . 1 1 28 28 ILE HG12 H 1 1.51 0.015 . 2 . . . . . . . . 4382 1 278 . 1 1 28 28 ILE HG13 H 1 1.30 0.015 . 2 . . . . . . . . 4382 1 279 . 1 1 28 28 ILE HG21 H 1 1.09 0.015 . 1 . . . . . . . . 4382 1 280 . 1 1 28 28 ILE HG22 H 1 1.09 0.015 . 1 . . . . . . . . 4382 1 281 . 1 1 28 28 ILE HG23 H 1 1.09 0.015 . 1 . . . . . . . . 4382 1 282 . 1 1 28 28 ILE HD11 H 1 0.94 0.015 . 1 . . . . . . . . 4382 1 283 . 1 1 28 28 ILE HD12 H 1 0.94 0.015 . 1 . . . . . . . . 4382 1 284 . 1 1 28 28 ILE HD13 H 1 0.94 0.015 . 1 . . . . . . . . 4382 1 285 . 1 1 28 28 ILE CA C 13 57.34 0.1 . 1 . . . . . . . . 4382 1 286 . 1 1 28 28 ILE CB C 13 38.96 0.1 . 1 . . . . . . . . 4382 1 287 . 1 1 28 28 ILE CG1 C 13 26.63 0.1 . 1 . . . . . . . . 4382 1 288 . 1 1 28 28 ILE CG2 C 13 17.75 0.1 . 1 . . . . . . . . 4382 1 289 . 1 1 28 28 ILE CD1 C 13 12.87 0.1 . 1 . . . . . . . . 4382 1 290 . 1 1 28 28 ILE N N 15 122.56 0.1 . 1 . . . . . . . . 4382 1 291 . 1 1 29 29 PRO HA H 1 4.70 0.015 . 1 . . . . . . . . 4382 1 292 . 1 1 29 29 PRO HB2 H 1 1.77 0.015 . 2 . . . . . . . . 4382 1 293 . 1 1 29 29 PRO HB3 H 1 2.35 0.015 . 2 . . . . . . . . 4382 1 294 . 1 1 29 29 PRO HG2 H 1 1.95 0.015 . 1 . . . . . . . . 4382 1 295 . 1 1 29 29 PRO HG3 H 1 1.95 0.015 . 1 . . . . . . . . 4382 1 296 . 1 1 29 29 PRO HD2 H 1 4.14 0.015 . 2 . . . . . . . . 4382 1 297 . 1 1 29 29 PRO HD3 H 1 3.74 0.015 . 2 . . . . . . . . 4382 1 298 . 1 1 29 29 PRO CA C 13 61.67 0.1 . 1 . . . . . . . . 4382 1 299 . 1 1 29 29 PRO CB C 13 31.08 0.1 . 1 . . . . . . . . 4382 1 300 . 1 1 29 29 PRO CG C 13 27.06 0.1 . 1 . . . . . . . . 4382 1 301 . 1 1 29 29 PRO CD C 13 51.71 0.1 . 1 . . . . . . . . 4382 1 302 . 1 1 30 30 PRO HA H 1 3.78 0.015 . 1 . . . . . . . . 4382 1 303 . 1 1 30 30 PRO HB2 H 1 1.77 0.015 . 2 . . . . . . . . 4382 1 304 . 1 1 30 30 PRO HB3 H 1 2.34 0.015 . 2 . . . . . . . . 4382 1 305 . 1 1 30 30 PRO HG2 H 1 1.95 0.015 . 1 . . . . . . . . 4382 1 306 . 1 1 30 30 PRO HG3 H 1 1.95 0.015 . 1 . . . . . . . . 4382 1 307 . 1 1 30 30 PRO HD2 H 1 4.25 0.015 . 2 . . . . . . . . 4382 1 308 . 1 1 30 30 PRO HD3 H 1 3.79 0.015 . 2 . . . . . . . . 4382 1 309 . 1 1 30 30 PRO C C 13 176.62 0.1 . 1 . . . . . . . . 4382 1 310 . 1 1 30 30 PRO CA C 13 63.80 0.1 . 1 . . . . . . . . 4382 1 311 . 1 1 30 30 PRO CB C 13 31.98 0.1 . 1 . . . . . . . . 4382 1 312 . 1 1 30 30 PRO CG C 13 27.11 0.1 . 1 . . . . . . . . 4382 1 313 . 1 1 30 30 PRO CD C 13 51.63 0.1 . 1 . . . . . . . . 4382 1 314 . 1 1 31 31 GLY H H 1 8.66 0.015 . 1 . . . . . . . . 4382 1 315 . 1 1 31 31 GLY HA2 H 1 3.52 0.015 . 2 . . . . . . . . 4382 1 316 . 1 1 31 31 GLY HA3 H 1 4.15 0.015 . 2 . . . . . . . . 4382 1 317 . 1 1 31 31 GLY C C 13 174.95 0.1 . 1 . . . . . . . . 4382 1 318 . 1 1 31 31 GLY CA C 13 45.43 0.1 . 1 . . . . . . . . 4382 1 319 . 1 1 31 31 GLY N N 15 112.34 0.1 . 1 . . . . . . . . 4382 1 320 . 1 1 32 32 THR H H 1 7.30 0.015 . 1 . . . . . . . . 4382 1 321 . 1 1 32 32 THR HA H 1 4.42 0.015 . 1 . . . . . . . . 4382 1 322 . 1 1 32 32 THR HB H 1 3.92 0.015 . 1 . . . . . . . . 4382 1 323 . 1 1 32 32 THR HG1 H 1 5.89 0.015 . 1 . . . . . . . . 4382 1 324 . 1 1 32 32 THR HG21 H 1 1.05 0.015 . 1 . . . . . . . . 4382 1 325 . 1 1 32 32 THR HG22 H 1 1.05 0.015 . 1 . . . . . . . . 4382 1 326 . 1 1 32 32 THR HG23 H 1 1.05 0.015 . 1 . . . . . . . . 4382 1 327 . 1 1 32 32 THR CA C 13 61.05 0.1 . 1 . . . . . . . . 4382 1 328 . 1 1 32 32 THR CB C 13 69.69 0.1 . 1 . . . . . . . . 4382 1 329 . 1 1 32 32 THR CG2 C 13 20.66 0.1 . 1 . . . . . . . . 4382 1 330 . 1 1 32 32 THR N N 15 118.78 0.1 . 1 . . . . . . . . 4382 1 331 . 1 1 33 33 PRO HA H 1 4.51 0.015 . 1 . . . . . . . . 4382 1 332 . 1 1 33 33 PRO HB2 H 1 1.81 0.015 . 2 . . . . . . . . 4382 1 333 . 1 1 33 33 PRO HB3 H 1 2.44 0.015 . 2 . . . . . . . . 4382 1 334 . 1 1 33 33 PRO HG2 H 1 2.06 0.015 . 2 . . . . . . . . 4382 1 335 . 1 1 33 33 PRO HG3 H 1 1.94 0.015 . 2 . . . . . . . . 4382 1 336 . 1 1 33 33 PRO HD2 H 1 3.90 0.015 . 2 . . . . . . . . 4382 1 337 . 1 1 33 33 PRO HD3 H 1 3.56 0.015 . 2 . . . . . . . . 4382 1 338 . 1 1 33 33 PRO C C 13 176.56 0.1 . 1 . . . . . . . . 4382 1 339 . 1 1 33 33 PRO CA C 13 62.70 0.1 . 1 . . . . . . . . 4382 1 340 . 1 1 33 33 PRO CB C 13 32.65 0.1 . 1 . . . . . . . . 4382 1 341 . 1 1 33 33 PRO CG C 13 27.43 0.1 . 1 . . . . . . . . 4382 1 342 . 1 1 33 33 PRO CD C 13 51.00 0.1 . 1 . . . . . . . . 4382 1 343 . 1 1 34 34 PHE H H 1 9.35 0.015 . 1 . . . . . . . . 4382 1 344 . 1 1 34 34 PHE HA H 1 3.29 0.015 . 1 . . . . . . . . 4382 1 345 . 1 1 34 34 PHE HB2 H 1 2.36 0.015 . 2 . . . . . . . . 4382 1 346 . 1 1 34 34 PHE HB3 H 1 2.66 0.015 . 2 . . . . . . . . 4382 1 347 . 1 1 34 34 PHE HD1 H 1 5.91 0.015 . 1 . . . . . . . . 4382 1 348 . 1 1 34 34 PHE HD2 H 1 5.91 0.015 . 1 . . . . . . . . 4382 1 349 . 1 1 34 34 PHE HE1 H 1 6.25 0.015 . 1 . . . . . . . . 4382 1 350 . 1 1 34 34 PHE HE2 H 1 6.25 0.015 . 1 . . . . . . . . 4382 1 351 . 1 1 34 34 PHE HZ H 1 6.69 0.015 . 1 . . . . . . . . 4382 1 352 . 1 1 34 34 PHE C C 13 178.07 0.1 . 1 . . . . . . . . 4382 1 353 . 1 1 34 34 PHE CA C 13 61.17 0.1 . 1 . . . . . . . . 4382 1 354 . 1 1 34 34 PHE CB C 13 40.78 0.1 . 1 . . . . . . . . 4382 1 355 . 1 1 34 34 PHE N N 15 125.22 0.1 . 1 . . . . . . . . 4382 1 356 . 1 1 35 35 VAL H H 1 8.07 0.015 . 1 . . . . . . . . 4382 1 357 . 1 1 35 35 VAL HA H 1 3.66 0.015 . 1 . . . . . . . . 4382 1 358 . 1 1 35 35 VAL HB H 1 2.18 0.015 . 1 . . . . . . . . 4382 1 359 . 1 1 35 35 VAL HG11 H 1 0.93 0.015 . 2 . . . . . . . . 4382 1 360 . 1 1 35 35 VAL HG12 H 1 0.93 0.015 . 2 . . . . . . . . 4382 1 361 . 1 1 35 35 VAL HG13 H 1 0.93 0.015 . 2 . . . . . . . . 4382 1 362 . 1 1 35 35 VAL HG21 H 1 1.00 0.015 . 2 . . . . . . . . 4382 1 363 . 1 1 35 35 VAL HG22 H 1 1.00 0.015 . 2 . . . . . . . . 4382 1 364 . 1 1 35 35 VAL HG23 H 1 1.00 0.015 . 2 . . . . . . . . 4382 1 365 . 1 1 35 35 VAL C C 13 175.91 0.1 . 1 . . . . . . . . 4382 1 366 . 1 1 35 35 VAL CA C 13 63.91 0.1 . 1 . . . . . . . . 4382 1 367 . 1 1 35 35 VAL CB C 13 31.49 0.1 . 1 . . . . . . . . 4382 1 368 . 1 1 35 35 VAL CG1 C 13 19.57 0.1 . 2 . . . . . . . . 4382 1 369 . 1 1 35 35 VAL CG2 C 13 20.70 0.1 . 2 . . . . . . . . 4382 1 370 . 1 1 35 35 VAL N N 15 110.79 0.1 . 1 . . . . . . . . 4382 1 371 . 1 1 36 36 ASP H H 1 7.15 0.015 . 1 . . . . . . . . 4382 1 372 . 1 1 36 36 ASP HA H 1 4.47 0.015 . 1 . . . . . . . . 4382 1 373 . 1 1 36 36 ASP HB2 H 1 2.44 0.015 . 2 . . . . . . . . 4382 1 374 . 1 1 36 36 ASP HB3 H 1 2.65 0.015 . 2 . . . . . . . . 4382 1 375 . 1 1 36 36 ASP C C 13 176.94 0.1 . 1 . . . . . . . . 4382 1 376 . 1 1 36 36 ASP CA C 13 54.44 0.1 . 1 . . . . . . . . 4382 1 377 . 1 1 36 36 ASP CB C 13 40.96 0.1 . 1 . . . . . . . . 4382 1 378 . 1 1 36 36 ASP N N 15 119.07 0.1 . 1 . . . . . . . . 4382 1 379 . 1 1 37 37 LEU H H 1 6.99 0.015 . 1 . . . . . . . . 4382 1 380 . 1 1 37 37 LEU HA H 1 3.83 0.015 . 1 . . . . . . . . 4382 1 381 . 1 1 37 37 LEU HB2 H 1 0.56 0.015 . 1 . . . . . . . . 4382 1 382 . 1 1 37 37 LEU HB3 H 1 0.56 0.015 . 1 . . . . . . . . 4382 1 383 . 1 1 37 37 LEU HG H 1 1.00 0.015 . 1 . . . . . . . . 4382 1 384 . 1 1 37 37 LEU HD11 H 1 -1.23 0.015 . 2 . . . . . . . . 4382 1 385 . 1 1 37 37 LEU HD12 H 1 -1.23 0.015 . 2 . . . . . . . . 4382 1 386 . 1 1 37 37 LEU HD13 H 1 -1.23 0.015 . 2 . . . . . . . . 4382 1 387 . 1 1 37 37 LEU HD21 H 1 0.21 0.015 . 2 . . . . . . . . 4382 1 388 . 1 1 37 37 LEU HD22 H 1 0.21 0.015 . 2 . . . . . . . . 4382 1 389 . 1 1 37 37 LEU HD23 H 1 0.21 0.015 . 2 . . . . . . . . 4382 1 390 . 1 1 37 37 LEU C C 13 177.99 0.1 . 1 . . . . . . . . 4382 1 391 . 1 1 37 37 LEU CA C 13 54.67 0.1 . 1 . . . . . . . . 4382 1 392 . 1 1 37 37 LEU CB C 13 41.10 0.1 . 1 . . . . . . . . 4382 1 393 . 1 1 37 37 LEU CG C 13 25.42 0.1 . 1 . . . . . . . . 4382 1 394 . 1 1 37 37 LEU CD1 C 13 23.59 0.1 . 2 . . . . . . . . 4382 1 395 . 1 1 37 37 LEU CD2 C 13 22.49 0.1 . 2 . . . . . . . . 4382 1 396 . 1 1 37 37 LEU N N 15 121.31 0.1 . 1 . . . . . . . . 4382 1 397 . 1 1 38 38 SER H H 1 8.73 0.015 . 1 . . . . . . . . 4382 1 398 . 1 1 38 38 SER HA H 1 4.18 0.015 . 1 . . . . . . . . 4382 1 399 . 1 1 38 38 SER HB2 H 1 3.74 0.015 . 2 . . . . . . . . 4382 1 400 . 1 1 38 38 SER HB3 H 1 4.07 0.015 . 2 . . . . . . . . 4382 1 401 . 1 1 38 38 SER C C 13 175.03 0.1 . 1 . . . . . . . . 4382 1 402 . 1 1 38 38 SER CA C 13 57.99 0.1 . 1 . . . . . . . . 4382 1 403 . 1 1 38 38 SER CB C 13 63.95 0.1 . 1 . . . . . . . . 4382 1 404 . 1 1 38 38 SER N N 15 118.52 0.1 . 1 . . . . . . . . 4382 1 405 . 1 1 39 39 ASP H H 1 8.72 0.015 . 1 . . . . . . . . 4382 1 406 . 1 1 39 39 ASP HA H 1 4.35 0.015 . 1 . . . . . . . . 4382 1 407 . 1 1 39 39 ASP HB2 H 1 2.63 0.015 . 2 . . . . . . . . 4382 1 408 . 1 1 39 39 ASP HB3 H 1 2.72 0.015 . 2 . . . . . . . . 4382 1 409 . 1 1 39 39 ASP C C 13 176.84 0.1 . 1 . . . . . . . . 4382 1 410 . 1 1 39 39 ASP CA C 13 57.17 0.1 . 1 . . . . . . . . 4382 1 411 . 1 1 39 39 ASP CB C 13 40.37 0.1 . 1 . . . . . . . . 4382 1 412 . 1 1 39 39 ASP N N 15 123.04 0.1 . 1 . . . . . . . . 4382 1 413 . 1 1 40 40 SER H H 1 7.97 0.015 . 1 . . . . . . . . 4382 1 414 . 1 1 40 40 SER HA H 1 4.38 0.015 . 1 . . . . . . . . 4382 1 415 . 1 1 40 40 SER HB2 H 1 3.83 0.015 . 2 . . . . . . . . 4382 1 416 . 1 1 40 40 SER HB3 H 1 3.92 0.015 . 2 . . . . . . . . 4382 1 417 . 1 1 40 40 SER C C 13 174.00 0.1 . 1 . . . . . . . . 4382 1 418 . 1 1 40 40 SER CA C 13 58.27 0.1 . 1 . . . . . . . . 4382 1 419 . 1 1 40 40 SER CB C 13 63.35 0.1 . 1 . . . . . . . . 4382 1 420 . 1 1 40 40 SER N N 15 112.31 0.1 . 1 . . . . . . . . 4382 1 421 . 1 1 41 41 PHE H H 1 7.75 0.015 . 1 . . . . . . . . 4382 1 422 . 1 1 41 41 PHE HA H 1 4.12 0.015 . 1 . . . . . . . . 4382 1 423 . 1 1 41 41 PHE HB2 H 1 2.50 0.015 . 2 . . . . . . . . 4382 1 424 . 1 1 41 41 PHE HB3 H 1 3.07 0.015 . 2 . . . . . . . . 4382 1 425 . 1 1 41 41 PHE HD1 H 1 6.66 0.015 . 1 . . . . . . . . 4382 1 426 . 1 1 41 41 PHE HD2 H 1 6.66 0.015 . 1 . . . . . . . . 4382 1 427 . 1 1 41 41 PHE HE1 H 1 6.85 0.015 . 1 . . . . . . . . 4382 1 428 . 1 1 41 41 PHE HE2 H 1 6.85 0.015 . 1 . . . . . . . . 4382 1 429 . 1 1 41 41 PHE C C 13 173.07 0.1 . 1 . . . . . . . . 4382 1 430 . 1 1 41 41 PHE CA C 13 59.78 0.1 . 1 . . . . . . . . 4382 1 431 . 1 1 41 41 PHE CB C 13 39.46 0.1 . 1 . . . . . . . . 4382 1 432 . 1 1 41 41 PHE N N 15 124.57 0.1 . 1 . . . . . . . . 4382 1 433 . 1 1 42 42 MET H H 1 6.83 0.015 . 1 . . . . . . . . 4382 1 434 . 1 1 42 42 MET HA H 1 4.42 0.015 . 1 . . . . . . . . 4382 1 435 . 1 1 42 42 MET HB2 H 1 1.38 0.015 . 2 . . . . . . . . 4382 1 436 . 1 1 42 42 MET HB3 H 1 1.44 0.015 . 2 . . . . . . . . 4382 1 437 . 1 1 42 42 MET HG2 H 1 2.31 0.015 . 1 . . . . . . . . 4382 1 438 . 1 1 42 42 MET HG3 H 1 2.31 0.015 . 1 . . . . . . . . 4382 1 439 . 1 1 42 42 MET CA C 13 52.05 0.1 . 1 . . . . . . . . 4382 1 440 . 1 1 42 42 MET CB C 13 35.98 0.1 . 1 . . . . . . . . 4382 1 441 . 1 1 42 42 MET CG C 13 31.97 0.1 . 1 . . . . . . . . 4382 1 442 . 1 1 42 42 MET N N 15 125.32 0.1 . 1 . . . . . . . . 4382 1 443 . 1 1 43 43 CYS H H 1 9.23 0.015 . 1 . . . . . . . . 4382 1 444 . 1 1 43 43 CYS HA H 1 4.16 0.015 . 1 . . . . . . . . 4382 1 445 . 1 1 43 43 CYS HB2 H 1 3.13 0.015 . 1 . . . . . . . . 4382 1 446 . 1 1 43 43 CYS HB3 H 1 3.13 0.015 . 1 . . . . . . . . 4382 1 447 . 1 1 43 43 CYS CA C 13 57.54 0.1 . 1 . . . . . . . . 4382 1 448 . 1 1 43 43 CYS CB C 13 31.74 0.1 . 1 . . . . . . . . 4382 1 449 . 1 1 43 43 CYS N N 15 122.57 0.1 . 1 . . . . . . . . 4382 1 450 . 1 1 44 44 PRO HA H 1 4.06 0.015 . 1 . . . . . . . . 4382 1 451 . 1 1 44 44 PRO HB2 H 1 1.59 0.015 . 2 . . . . . . . . 4382 1 452 . 1 1 44 44 PRO HB3 H 1 2.34 0.015 . 2 . . . . . . . . 4382 1 453 . 1 1 44 44 PRO HG2 H 1 1.88 0.015 . 2 . . . . . . . . 4382 1 454 . 1 1 44 44 PRO HG3 H 1 1.74 0.015 . 2 . . . . . . . . 4382 1 455 . 1 1 44 44 PRO HD2 H 1 3.23 0.015 . 2 . . . . . . . . 4382 1 456 . 1 1 44 44 PRO HD3 H 1 3.73 0.015 . 2 . . . . . . . . 4382 1 457 . 1 1 44 44 PRO C C 13 176.33 0.1 . 1 . . . . . . . . 4382 1 458 . 1 1 44 44 PRO CA C 13 64.31 0.1 . 1 . . . . . . . . 4382 1 459 . 1 1 44 44 PRO CB C 13 32.93 0.1 . 1 . . . . . . . . 4382 1 460 . 1 1 44 44 PRO CG C 13 26.98 0.1 . 1 . . . . . . . . 4382 1 461 . 1 1 44 44 PRO CD C 13 51.51 0.1 . 1 . . . . . . . . 4382 1 462 . 1 1 45 45 ALA H H 1 8.71 0.015 . 1 . . . . . . . . 4382 1 463 . 1 1 45 45 ALA HA H 1 4.38 0.015 . 1 . . . . . . . . 4382 1 464 . 1 1 45 45 ALA HB1 H 1 1.52 0.015 . 1 . . . . . . . . 4382 1 465 . 1 1 45 45 ALA HB2 H 1 1.52 0.015 . 1 . . . . . . . . 4382 1 466 . 1 1 45 45 ALA HB3 H 1 1.52 0.015 . 1 . . . . . . . . 4382 1 467 . 1 1 45 45 ALA C C 13 179.03 0.1 . 1 . . . . . . . . 4382 1 468 . 1 1 45 45 ALA CA C 13 53.85 0.1 . 1 . . . . . . . . 4382 1 469 . 1 1 45 45 ALA CB C 13 21.16 0.1 . 1 . . . . . . . . 4382 1 470 . 1 1 45 45 ALA N N 15 123.29 0.1 . 1 . . . . . . . . 4382 1 471 . 1 1 46 46 CYS H H 1 8.61 0.015 . 1 . . . . . . . . 4382 1 472 . 1 1 46 46 CYS HA H 1 4.91 0.015 . 1 . . . . . . . . 4382 1 473 . 1 1 46 46 CYS HB2 H 1 2.46 0.015 . 2 . . . . . . . . 4382 1 474 . 1 1 46 46 CYS HB3 H 1 3.24 0.015 . 2 . . . . . . . . 4382 1 475 . 1 1 46 46 CYS C C 13 176.39 0.1 . 1 . . . . . . . . 4382 1 476 . 1 1 46 46 CYS CA C 13 58.75 0.1 . 1 . . . . . . . . 4382 1 477 . 1 1 46 46 CYS CB C 13 32.53 0.1 . 1 . . . . . . . . 4382 1 478 . 1 1 46 46 CYS N N 15 119.01 0.1 . 1 . . . . . . . . 4382 1 479 . 1 1 47 47 ARG H H 1 8.18 0.015 . 1 . . . . . . . . 4382 1 480 . 1 1 47 47 ARG HA H 1 3.91 0.015 . 1 . . . . . . . . 4382 1 481 . 1 1 47 47 ARG HB2 H 1 2.09 0.015 . 1 . . . . . . . . 4382 1 482 . 1 1 47 47 ARG HB3 H 1 2.09 0.015 . 1 . . . . . . . . 4382 1 483 . 1 1 47 47 ARG HG2 H 1 1.46 0.015 . 1 . . . . . . . . 4382 1 484 . 1 1 47 47 ARG HG3 H 1 1.46 0.015 . 1 . . . . . . . . 4382 1 485 . 1 1 47 47 ARG HD2 H 1 3.07 0.015 . 1 . . . . . . . . 4382 1 486 . 1 1 47 47 ARG HD3 H 1 3.07 0.015 . 1 . . . . . . . . 4382 1 487 . 1 1 47 47 ARG HE H 1 7.05 0.015 . 1 . . . . . . . . 4382 1 488 . 1 1 47 47 ARG C C 13 174.87 0.1 . 1 . . . . . . . . 4382 1 489 . 1 1 47 47 ARG CA C 13 58.38 0.1 . 1 . . . . . . . . 4382 1 490 . 1 1 47 47 ARG CB C 13 26.74 0.1 . 1 . . . . . . . . 4382 1 491 . 1 1 47 47 ARG CG C 13 27.54 0.1 . 1 . . . . . . . . 4382 1 492 . 1 1 47 47 ARG CD C 13 42.78 0.1 . 1 . . . . . . . . 4382 1 493 . 1 1 47 47 ARG N N 15 117.86 0.1 . 1 . . . . . . . . 4382 1 494 . 1 1 47 47 ARG NE N 15 85.23 0.1 . 1 . . . . . . . . 4382 1 495 . 1 1 48 48 SER H H 1 8.70 0.015 . 1 . . . . . . . . 4382 1 496 . 1 1 48 48 SER HA H 1 4.68 0.015 . 1 . . . . . . . . 4382 1 497 . 1 1 48 48 SER HB2 H 1 3.56 0.015 . 2 . . . . . . . . 4382 1 498 . 1 1 48 48 SER HB3 H 1 3.68 0.015 . 2 . . . . . . . . 4382 1 499 . 1 1 48 48 SER CA C 13 59.94 0.1 . 1 . . . . . . . . 4382 1 500 . 1 1 48 48 SER CB C 13 61.65 0.1 . 1 . . . . . . . . 4382 1 501 . 1 1 48 48 SER N N 15 119.98 0.1 . 1 . . . . . . . . 4382 1 502 . 1 1 49 49 PRO HA H 1 4.76 0.015 . 1 . . . . . . . . 4382 1 503 . 1 1 49 49 PRO HB2 H 1 2.29 0.015 . 2 . . . . . . . . 4382 1 504 . 1 1 49 49 PRO HB3 H 1 2.51 0.015 . 2 . . . . . . . . 4382 1 505 . 1 1 49 49 PRO HG2 H 1 2.11 0.015 . 1 . . . . . . . . 4382 1 506 . 1 1 49 49 PRO HG3 H 1 2.11 0.015 . 1 . . . . . . . . 4382 1 507 . 1 1 49 49 PRO HD2 H 1 3.63 0.015 . 2 . . . . . . . . 4382 1 508 . 1 1 49 49 PRO HD3 H 1 3.97 0.015 . 2 . . . . . . . . 4382 1 509 . 1 1 49 49 PRO C C 13 177.85 0.1 . 1 . . . . . . . . 4382 1 510 . 1 1 49 49 PRO CA C 13 64.36 0.1 . 1 . . . . . . . . 4382 1 511 . 1 1 49 49 PRO CB C 13 33.41 0.1 . 1 . . . . . . . . 4382 1 512 . 1 1 49 49 PRO CG C 13 27.96 0.1 . 1 . . . . . . . . 4382 1 513 . 1 1 49 49 PRO CD C 13 50.77 0.1 . 1 . . . . . . . . 4382 1 514 . 1 1 50 50 LYS H H 1 8.05 0.015 . 1 . . . . . . . . 4382 1 515 . 1 1 50 50 LYS HA H 1 4.00 0.015 . 1 . . . . . . . . 4382 1 516 . 1 1 50 50 LYS HB2 H 1 1.86 0.015 . 2 . . . . . . . . 4382 1 517 . 1 1 50 50 LYS HB3 H 1 2.18 0.015 . 2 . . . . . . . . 4382 1 518 . 1 1 50 50 LYS HG2 H 1 1.32 0.015 . 2 . . . . . . . . 4382 1 519 . 1 1 50 50 LYS HG3 H 1 0.88 0.015 . 2 . . . . . . . . 4382 1 520 . 1 1 50 50 LYS HD2 H 1 1.29 0.015 . 1 . . . . . . . . 4382 1 521 . 1 1 50 50 LYS HD3 H 1 1.29 0.015 . 1 . . . . . . . . 4382 1 522 . 1 1 50 50 LYS HE2 H 1 1.70 0.015 . 2 . . . . . . . . 4382 1 523 . 1 1 50 50 LYS HE3 H 1 2.20 0.015 . 2 . . . . . . . . 4382 1 524 . 1 1 50 50 LYS C C 13 177.73 0.1 . 1 . . . . . . . . 4382 1 525 . 1 1 50 50 LYS CA C 13 60.46 0.1 . 1 . . . . . . . . 4382 1 526 . 1 1 50 50 LYS CB C 13 33.42 0.1 . 1 . . . . . . . . 4382 1 527 . 1 1 50 50 LYS CG C 13 26.51 0.1 . 1 . . . . . . . . 4382 1 528 . 1 1 50 50 LYS CD C 13 29.66 0.1 . 1 . . . . . . . . 4382 1 529 . 1 1 50 50 LYS CE C 13 42.35 0.1 . 1 . . . . . . . . 4382 1 530 . 1 1 50 50 LYS N N 15 121.90 0.1 . 1 . . . . . . . . 4382 1 531 . 1 1 51 51 ASN H H 1 8.34 0.015 . 1 . . . . . . . . 4382 1 532 . 1 1 51 51 ASN HA H 1 4.68 0.015 . 1 . . . . . . . . 4382 1 533 . 1 1 51 51 ASN HB2 H 1 2.92 0.015 . 2 . . . . . . . . 4382 1 534 . 1 1 51 51 ASN HB3 H 1 3.17 0.015 . 2 . . . . . . . . 4382 1 535 . 1 1 51 51 ASN HD21 H 1 7.59 0.015 . 2 . . . . . . . . 4382 1 536 . 1 1 51 51 ASN HD22 H 1 6.78 0.015 . 2 . . . . . . . . 4382 1 537 . 1 1 51 51 ASN C C 13 175.86 0.1 . 1 . . . . . . . . 4382 1 538 . 1 1 51 51 ASN CA C 13 55.08 0.1 . 1 . . . . . . . . 4382 1 539 . 1 1 51 51 ASN CB C 13 37.48 0.1 . 1 . . . . . . . . 4382 1 540 . 1 1 51 51 ASN N N 15 111.78 0.1 . 1 . . . . . . . . 4382 1 541 . 1 1 51 51 ASN ND2 N 15 111.00 0.1 . 1 . . . . . . . . 4382 1 542 . 1 1 52 52 GLN H H 1 7.95 0.015 . 1 . . . . . . . . 4382 1 543 . 1 1 52 52 GLN HA H 1 4.99 0.015 . 1 . . . . . . . . 4382 1 544 . 1 1 52 52 GLN HB2 H 1 1.95 0.015 . 2 . . . . . . . . 4382 1 545 . 1 1 52 52 GLN HB3 H 1 2.69 0.015 . 2 . . . . . . . . 4382 1 546 . 1 1 52 52 GLN HG2 H 1 2.27 0.015 . 2 . . . . . . . . 4382 1 547 . 1 1 52 52 GLN HG3 H 1 2.67 0.015 . 2 . . . . . . . . 4382 1 548 . 1 1 52 52 GLN HE21 H 1 7.55 0.015 . 2 . . . . . . . . 4382 1 549 . 1 1 52 52 GLN HE22 H 1 7.96 0.015 . 2 . . . . . . . . 4382 1 550 . 1 1 52 52 GLN C C 13 174.79 0.1 . 1 . . . . . . . . 4382 1 551 . 1 1 52 52 GLN CA C 13 54.43 0.1 . 1 . . . . . . . . 4382 1 552 . 1 1 52 52 GLN CB C 13 27.86 0.1 . 1 . . . . . . . . 4382 1 553 . 1 1 52 52 GLN CG C 13 32.50 0.1 . 1 . . . . . . . . 4382 1 554 . 1 1 52 52 GLN N N 15 114.36 0.1 . 1 . . . . . . . . 4382 1 555 . 1 1 52 52 GLN NE2 N 15 118.73 0.1 . 1 . . . . . . . . 4382 1 556 . 1 1 53 53 PHE H H 1 7.94 0.015 . 1 . . . . . . . . 4382 1 557 . 1 1 53 53 PHE HA H 1 5.28 0.015 . 1 . . . . . . . . 4382 1 558 . 1 1 53 53 PHE HB2 H 1 2.50 0.015 . 2 . . . . . . . . 4382 1 559 . 1 1 53 53 PHE HB3 H 1 3.78 0.015 . 2 . . . . . . . . 4382 1 560 . 1 1 53 53 PHE HD1 H 1 7.41 0.015 . 1 . . . . . . . . 4382 1 561 . 1 1 53 53 PHE HD2 H 1 7.41 0.015 . 1 . . . . . . . . 4382 1 562 . 1 1 53 53 PHE HE1 H 1 7.62 0.015 . 1 . . . . . . . . 4382 1 563 . 1 1 53 53 PHE HE2 H 1 7.62 0.015 . 1 . . . . . . . . 4382 1 564 . 1 1 53 53 PHE C C 13 176.73 0.1 . 1 . . . . . . . . 4382 1 565 . 1 1 53 53 PHE CA C 13 57.75 0.1 . 1 . . . . . . . . 4382 1 566 . 1 1 53 53 PHE CB C 13 41.46 0.1 . 1 . . . . . . . . 4382 1 567 . 1 1 53 53 PHE N N 15 120.00 0.1 . 1 . . . . . . . . 4382 1 568 . 1 1 54 54 LYS H H 1 9.29 0.015 . 1 . . . . . . . . 4382 1 569 . 1 1 54 54 LYS HA H 1 4.86 0.015 . 1 . . . . . . . . 4382 1 570 . 1 1 54 54 LYS HB2 H 1 1.81 0.015 . 1 . . . . . . . . 4382 1 571 . 1 1 54 54 LYS HB3 H 1 1.81 0.015 . 1 . . . . . . . . 4382 1 572 . 1 1 54 54 LYS HG2 H 1 1.40 0.015 . 1 . . . . . . . . 4382 1 573 . 1 1 54 54 LYS HG3 H 1 1.40 0.015 . 1 . . . . . . . . 4382 1 574 . 1 1 54 54 LYS C C 13 175.22 0.1 . 1 . . . . . . . . 4382 1 575 . 1 1 54 54 LYS CA C 13 53.88 0.1 . 1 . . . . . . . . 4382 1 576 . 1 1 54 54 LYS CB C 13 35.85 0.1 . 1 . . . . . . . . 4382 1 577 . 1 1 54 54 LYS CG C 13 27.00 0.1 . 1 . . . . . . . . 4382 1 578 . 1 1 54 54 LYS N N 15 120.58 0.1 . 1 . . . . . . . . 4382 1 579 . 1 1 55 55 SER H H 1 8.62 0.015 . 1 . . . . . . . . 4382 1 580 . 1 1 55 55 SER HA H 1 3.26 0.015 . 1 . . . . . . . . 4382 1 581 . 1 1 55 55 SER HB2 H 1 3.34 0.015 . 2 . . . . . . . . 4382 1 582 . 1 1 55 55 SER HB3 H 1 3.46 0.015 . 2 . . . . . . . . 4382 1 583 . 1 1 55 55 SER C C 13 175.28 0.1 . 1 . . . . . . . . 4382 1 584 . 1 1 55 55 SER CA C 13 58.48 0.1 . 1 . . . . . . . . 4382 1 585 . 1 1 55 55 SER CB C 13 62.89 0.1 . 1 . . . . . . . . 4382 1 586 . 1 1 55 55 SER N N 15 119.28 0.1 . 1 . . . . . . . . 4382 1 587 . 1 1 56 56 ILE H H 1 7.59 0.015 . 1 . . . . . . . . 4382 1 588 . 1 1 56 56 ILE HA H 1 4.33 0.015 . 1 . . . . . . . . 4382 1 589 . 1 1 56 56 ILE HB H 1 1.70 0.015 . 1 . . . . . . . . 4382 1 590 . 1 1 56 56 ILE HG12 H 1 1.24 0.015 . 1 . . . . . . . . 4382 1 591 . 1 1 56 56 ILE HG13 H 1 1.24 0.015 . 1 . . . . . . . . 4382 1 592 . 1 1 56 56 ILE HG21 H 1 0.81 0.015 . 1 . . . . . . . . 4382 1 593 . 1 1 56 56 ILE HG22 H 1 0.81 0.015 . 1 . . . . . . . . 4382 1 594 . 1 1 56 56 ILE HG23 H 1 0.81 0.015 . 1 . . . . . . . . 4382 1 595 . 1 1 56 56 ILE HD11 H 1 0.75 0.015 . 1 . . . . . . . . 4382 1 596 . 1 1 56 56 ILE HD12 H 1 0.75 0.015 . 1 . . . . . . . . 4382 1 597 . 1 1 56 56 ILE HD13 H 1 0.75 0.015 . 1 . . . . . . . . 4382 1 598 . 1 1 56 56 ILE C C 13 174.87 0.1 . 1 . . . . . . . . 4382 1 599 . 1 1 56 56 ILE CA C 13 60.72 0.1 . 1 . . . . . . . . 4382 1 600 . 1 1 56 56 ILE CB C 13 39.77 0.1 . 1 . . . . . . . . 4382 1 601 . 1 1 56 56 ILE CG1 C 13 26.78 0.1 . 1 . . . . . . . . 4382 1 602 . 1 1 56 56 ILE CG2 C 13 18.07 0.1 . 1 . . . . . . . . 4382 1 603 . 1 1 56 56 ILE CD1 C 13 14.24 0.1 . 1 . . . . . . . . 4382 1 604 . 1 1 56 56 ILE N N 15 123.89 0.1 . 1 . . . . . . . . 4382 1 605 . 1 1 57 57 LYS H H 1 8.11 0.015 . 1 . . . . . . . . 4382 1 606 . 1 1 57 57 LYS HA H 1 4.53 0.015 . 1 . . . . . . . . 4382 1 607 . 1 1 57 57 LYS HB2 H 1 1.58 0.015 . 1 . . . . . . . . 4382 1 608 . 1 1 57 57 LYS HB3 H 1 1.58 0.015 . 1 . . . . . . . . 4382 1 609 . 1 1 57 57 LYS HG2 H 1 1.29 0.015 . 1 . . . . . . . . 4382 1 610 . 1 1 57 57 LYS HG3 H 1 1.29 0.015 . 1 . . . . . . . . 4382 1 611 . 1 1 57 57 LYS C C 13 175.83 0.1 . 1 . . . . . . . . 4382 1 612 . 1 1 57 57 LYS CA C 13 55.26 0.1 . 1 . . . . . . . . 4382 1 613 . 1 1 57 57 LYS CB C 13 34.50 0.1 . 1 . . . . . . . . 4382 1 614 . 1 1 57 57 LYS N N 15 122.74 0.1 . 1 . . . . . . . . 4382 1 615 . 1 1 58 58 LYS H H 1 8.53 0.015 . 1 . . . . . . . . 4382 1 616 . 1 1 58 58 LYS HA H 1 4.37 0.015 . 1 . . . . . . . . 4382 1 617 . 1 1 58 58 LYS HB2 H 1 1.72 0.015 . 1 . . . . . . . . 4382 1 618 . 1 1 58 58 LYS HB3 H 1 1.72 0.015 . 1 . . . . . . . . 4382 1 619 . 1 1 58 58 LYS C C 13 175.58 0.1 . 1 . . . . . . . . 4382 1 620 . 1 1 58 58 LYS CA C 13 55.63 0.1 . 1 . . . . . . . . 4382 1 621 . 1 1 58 58 LYS CB C 13 34.10 0.1 . 1 . . . . . . . . 4382 1 622 . 1 1 58 58 LYS N N 15 123.92 0.1 . 1 . . . . . . . . 4382 1 623 . 1 1 59 59 VAL H H 1 8.38 0.015 . 1 . . . . . . . . 4382 1 624 . 1 1 59 59 VAL HA H 1 4.29 0.015 . 1 . . . . . . . . 4382 1 625 . 1 1 59 59 VAL HB H 1 1.94 0.015 . 1 . . . . . . . . 4382 1 626 . 1 1 59 59 VAL HG11 H 1 0.83 0.015 . 2 . . . . . . . . 4382 1 627 . 1 1 59 59 VAL HG12 H 1 0.83 0.015 . 2 . . . . . . . . 4382 1 628 . 1 1 59 59 VAL HG13 H 1 0.83 0.015 . 2 . . . . . . . . 4382 1 629 . 1 1 59 59 VAL HG21 H 1 0.90 0.015 . 2 . . . . . . . . 4382 1 630 . 1 1 59 59 VAL HG22 H 1 0.90 0.015 . 2 . . . . . . . . 4382 1 631 . 1 1 59 59 VAL HG23 H 1 0.90 0.015 . 2 . . . . . . . . 4382 1 632 . 1 1 59 59 VAL C C 13 176.09 0.1 . 1 . . . . . . . . 4382 1 633 . 1 1 59 59 VAL CA C 13 62.44 0.1 . 1 . . . . . . . . 4382 1 634 . 1 1 59 59 VAL CB C 13 32.69 0.1 . 1 . . . . . . . . 4382 1 635 . 1 1 59 59 VAL CG1 C 13 21.11 0.1 . 2 . . . . . . . . 4382 1 636 . 1 1 59 59 VAL CG2 C 13 21.16 0.1 . 2 . . . . . . . . 4382 1 637 . 1 1 59 59 VAL N N 15 124.99 0.1 . 1 . . . . . . . . 4382 1 638 . 1 1 60 60 ILE H H 1 8.39 0.015 . 1 . . . . . . . . 4382 1 639 . 1 1 60 60 ILE HA H 1 4.27 0.015 . 1 . . . . . . . . 4382 1 640 . 1 1 60 60 ILE HB H 1 1.80 0.015 . 1 . . . . . . . . 4382 1 641 . 1 1 60 60 ILE HG12 H 1 1.06 0.015 . 2 . . . . . . . . 4382 1 642 . 1 1 60 60 ILE HG13 H 1 1.35 0.015 . 2 . . . . . . . . 4382 1 643 . 1 1 60 60 ILE HG21 H 1 0.85 0.015 . 1 . . . . . . . . 4382 1 644 . 1 1 60 60 ILE HG22 H 1 0.85 0.015 . 1 . . . . . . . . 4382 1 645 . 1 1 60 60 ILE HG23 H 1 0.85 0.015 . 1 . . . . . . . . 4382 1 646 . 1 1 60 60 ILE HD11 H 1 0.76 0.015 . 1 . . . . . . . . 4382 1 647 . 1 1 60 60 ILE HD12 H 1 0.76 0.015 . 1 . . . . . . . . 4382 1 648 . 1 1 60 60 ILE HD13 H 1 0.76 0.015 . 1 . . . . . . . . 4382 1 649 . 1 1 60 60 ILE C C 13 175.48 0.1 . 1 . . . . . . . . 4382 1 650 . 1 1 60 60 ILE CA C 13 60.19 0.1 . 1 . . . . . . . . 4382 1 651 . 1 1 60 60 ILE CB C 13 39.43 0.1 . 1 . . . . . . . . 4382 1 652 . 1 1 60 60 ILE CG1 C 13 26.91 0.1 . 1 . . . . . . . . 4382 1 653 . 1 1 60 60 ILE CG2 C 13 17.55 0.1 . 1 . . . . . . . . 4382 1 654 . 1 1 60 60 ILE CD1 C 13 12.91 0.1 . 1 . . . . . . . . 4382 1 655 . 1 1 60 60 ILE N N 15 125.89 0.1 . 1 . . . . . . . . 4382 1 656 . 1 1 61 61 ALA H H 1 8.47 0.015 . 1 . . . . . . . . 4382 1 657 . 1 1 61 61 ALA HA H 1 4.29 0.015 . 1 . . . . . . . . 4382 1 658 . 1 1 61 61 ALA HB1 H 1 1.33 0.015 . 1 . . . . . . . . 4382 1 659 . 1 1 61 61 ALA HB2 H 1 1.33 0.015 . 1 . . . . . . . . 4382 1 660 . 1 1 61 61 ALA HB3 H 1 1.33 0.015 . 1 . . . . . . . . 4382 1 661 . 1 1 61 61 ALA C C 13 177.88 0.1 . 1 . . . . . . . . 4382 1 662 . 1 1 61 61 ALA CA C 13 52.57 0.1 . 1 . . . . . . . . 4382 1 663 . 1 1 61 61 ALA CB C 13 19.35 0.1 . 1 . . . . . . . . 4382 1 664 . 1 1 61 61 ALA N N 15 128.81 0.1 . 1 . . . . . . . . 4382 1 665 . 1 1 62 62 GLY H H 1 8.24 0.015 . 1 . . . . . . . . 4382 1 666 . 1 1 62 62 GLY HA2 H 1 3.85 0.015 . 1 . . . . . . . . 4382 1 667 . 1 1 62 62 GLY HA3 H 1 3.85 0.015 . 1 . . . . . . . . 4382 1 668 . 1 1 62 62 GLY C C 13 173.66 0.1 . 1 . . . . . . . . 4382 1 669 . 1 1 62 62 GLY CA C 13 45.06 0.1 . 1 . . . . . . . . 4382 1 670 . 1 1 62 62 GLY N N 15 108.55 0.1 . 1 . . . . . . . . 4382 1 671 . 1 1 63 63 PHE H H 1 8.07 0.015 . 1 . . . . . . . . 4382 1 672 . 1 1 63 63 PHE HA H 1 4.58 0.015 . 1 . . . . . . . . 4382 1 673 . 1 1 63 63 PHE HB2 H 1 2.98 0.015 . 2 . . . . . . . . 4382 1 674 . 1 1 63 63 PHE HB3 H 1 3.11 0.015 . 2 . . . . . . . . 4382 1 675 . 1 1 63 63 PHE C C 13 175.65 0.1 . 1 . . . . . . . . 4382 1 676 . 1 1 63 63 PHE CA C 13 57.83 0.1 . 1 . . . . . . . . 4382 1 677 . 1 1 63 63 PHE CB C 13 39.85 0.1 . 1 . . . . . . . . 4382 1 678 . 1 1 63 63 PHE N N 15 120.10 0.1 . 1 . . . . . . . . 4382 1 679 . 1 1 64 64 ALA H H 1 8.27 0.015 . 1 . . . . . . . . 4382 1 680 . 1 1 64 64 ALA HA H 1 4.26 0.015 . 1 . . . . . . . . 4382 1 681 . 1 1 64 64 ALA HB1 H 1 1.32 0.015 . 1 . . . . . . . . 4382 1 682 . 1 1 64 64 ALA HB2 H 1 1.32 0.015 . 1 . . . . . . . . 4382 1 683 . 1 1 64 64 ALA HB3 H 1 1.32 0.015 . 1 . . . . . . . . 4382 1 684 . 1 1 64 64 ALA C C 13 177.55 0.1 . 1 . . . . . . . . 4382 1 685 . 1 1 64 64 ALA CA C 13 52.48 0.1 . 1 . . . . . . . . 4382 1 686 . 1 1 64 64 ALA CB C 13 19.29 0.1 . 1 . . . . . . . . 4382 1 687 . 1 1 64 64 ALA N N 15 125.59 0.1 . 1 . . . . . . . . 4382 1 688 . 1 1 65 65 GLU H H 1 8.33 0.015 . 1 . . . . . . . . 4382 1 689 . 1 1 65 65 GLU HA H 1 4.17 0.015 . 1 . . . . . . . . 4382 1 690 . 1 1 65 65 GLU HB2 H 1 1.93 0.015 . 2 . . . . . . . . 4382 1 691 . 1 1 65 65 GLU HB3 H 1 2.02 0.015 . 2 . . . . . . . . 4382 1 692 . 1 1 65 65 GLU HG2 H 1 2.25 0.015 . 1 . . . . . . . . 4382 1 693 . 1 1 65 65 GLU HG3 H 1 2.25 0.015 . 1 . . . . . . . . 4382 1 694 . 1 1 65 65 GLU C C 13 176.48 0.1 . 1 . . . . . . . . 4382 1 695 . 1 1 65 65 GLU CA C 13 57.15 0.1 . 1 . . . . . . . . 4382 1 696 . 1 1 65 65 GLU CB C 13 30.12 0.1 . 1 . . . . . . . . 4382 1 697 . 1 1 65 65 GLU CG C 13 36.36 0.1 . 1 . . . . . . . . 4382 1 698 . 1 1 65 65 GLU N N 15 120.08 0.1 . 1 . . . . . . . . 4382 1 699 . 1 1 66 66 ASN H H 1 8.37 0.015 . 1 . . . . . . . . 4382 1 700 . 1 1 66 66 ASN HA H 1 4.62 0.015 . 1 . . . . . . . . 4382 1 701 . 1 1 66 66 ASN HB2 H 1 2.78 0.015 . 1 . . . . . . . . 4382 1 702 . 1 1 66 66 ASN HB3 H 1 2.78 0.015 . 1 . . . . . . . . 4382 1 703 . 1 1 66 66 ASN HD21 H 1 7.58 0.015 . 2 . . . . . . . . 4382 1 704 . 1 1 66 66 ASN HD22 H 1 6.88 0.015 . 2 . . . . . . . . 4382 1 705 . 1 1 66 66 ASN C C 13 175.16 0.1 . 1 . . . . . . . . 4382 1 706 . 1 1 66 66 ASN CA C 13 53.54 0.1 . 1 . . . . . . . . 4382 1 707 . 1 1 66 66 ASN CB C 13 38.66 0.1 . 1 . . . . . . . . 4382 1 708 . 1 1 66 66 ASN N N 15 118.68 0.1 . 1 . . . . . . . . 4382 1 709 . 1 1 66 66 ASN ND2 N 15 112.93 0.1 . 1 . . . . . . . . 4382 1 710 . 1 1 67 67 GLN H H 1 8.17 0.015 . 1 . . . . . . . . 4382 1 711 . 1 1 67 67 GLN HA H 1 4.22 0.015 . 1 . . . . . . . . 4382 1 712 . 1 1 67 67 GLN HB2 H 1 1.89 0.015 . 2 . . . . . . . . 4382 1 713 . 1 1 67 67 GLN HB3 H 1 1.98 0.015 . 2 . . . . . . . . 4382 1 714 . 1 1 67 67 GLN HG2 H 1 2.25 0.015 . 1 . . . . . . . . 4382 1 715 . 1 1 67 67 GLN HG3 H 1 2.25 0.015 . 1 . . . . . . . . 4382 1 716 . 1 1 67 67 GLN HE21 H 1 6.80 0.015 . 2 . . . . . . . . 4382 1 717 . 1 1 67 67 GLN HE22 H 1 7.42 0.015 . 2 . . . . . . . . 4382 1 718 . 1 1 67 67 GLN C C 13 175.56 0.1 . 1 . . . . . . . . 4382 1 719 . 1 1 67 67 GLN CA C 13 55.94 0.1 . 1 . . . . . . . . 4382 1 720 . 1 1 67 67 GLN CB C 13 29.37 0.1 . 1 . . . . . . . . 4382 1 721 . 1 1 67 67 GLN N N 15 120.39 0.1 . 1 . . . . . . . . 4382 1 722 . 1 1 67 67 GLN NE2 N 15 112.63 0.1 . 1 . . . . . . . . 4382 1 723 . 1 1 68 68 LYS H H 1 8.13 0.015 . 1 . . . . . . . . 4382 1 724 . 1 1 68 68 LYS HA H 1 4.20 0.015 . 1 . . . . . . . . 4382 1 725 . 1 1 68 68 LYS HB2 H 1 1.62 0.015 . 1 . . . . . . . . 4382 1 726 . 1 1 68 68 LYS HB3 H 1 1.62 0.015 . 1 . . . . . . . . 4382 1 727 . 1 1 68 68 LYS HG2 H 1 1.23 0.015 . 1 . . . . . . . . 4382 1 728 . 1 1 68 68 LYS HG3 H 1 1.23 0.015 . 1 . . . . . . . . 4382 1 729 . 1 1 68 68 LYS C C 13 176.07 0.1 . 1 . . . . . . . . 4382 1 730 . 1 1 68 68 LYS CA C 13 56.33 0.1 . 1 . . . . . . . . 4382 1 731 . 1 1 68 68 LYS CB C 13 33.23 0.1 . 1 . . . . . . . . 4382 1 732 . 1 1 68 68 LYS N N 15 122.28 0.1 . 1 . . . . . . . . 4382 1 733 . 1 1 69 69 TYR H H 1 8.18 0.015 . 1 . . . . . . . . 4382 1 734 . 1 1 69 69 TYR HA H 1 4.62 0.015 . 1 . . . . . . . . 4382 1 735 . 1 1 69 69 TYR HB2 H 1 2.85 0.015 . 2 . . . . . . . . 4382 1 736 . 1 1 69 69 TYR HB3 H 1 3.12 0.015 . 2 . . . . . . . . 4382 1 737 . 1 1 69 69 TYR HD1 H 1 7.11 0.015 . 1 . . . . . . . . 4382 1 738 . 1 1 69 69 TYR HD2 H 1 7.11 0.015 . 1 . . . . . . . . 4382 1 739 . 1 1 69 69 TYR HE1 H 1 6.80 0.015 . 1 . . . . . . . . 4382 1 740 . 1 1 69 69 TYR HE2 H 1 6.80 0.015 . 1 . . . . . . . . 4382 1 741 . 1 1 69 69 TYR C C 13 175.28 0.1 . 1 . . . . . . . . 4382 1 742 . 1 1 69 69 TYR CA C 13 57.53 0.1 . 1 . . . . . . . . 4382 1 743 . 1 1 69 69 TYR CB C 13 39.05 0.1 . 1 . . . . . . . . 4382 1 744 . 1 1 69 69 TYR N N 15 121.50 0.1 . 1 . . . . . . . . 4382 1 745 . 1 1 70 70 GLY H H 1 7.88 0.015 . 1 . . . . . . . . 4382 1 746 . 1 1 70 70 GLY HA2 H 1 3.68 0.015 . 1 . . . . . . . . 4382 1 747 . 1 1 70 70 GLY HA3 H 1 3.74 0.015 . 1 . . . . . . . . 4382 1 748 . 1 1 70 70 GLY CA C 13 46.13 0.1 . 1 . . . . . . . . 4382 1 749 . 1 1 70 70 GLY N N 15 116.70 0.1 . 1 . . . . . . . . 4382 1 stop_ save_