data_7297 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7297 _Entry.Title ; Assignment of conserved hypothetical protein RPA1320 from Rhodopseudomonas Palustris; Northeast Structural Genomics Consortium Target RPT3 / Ontario Center for Structural Proteomics Target RP1313 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-09-14 _Entry.Accession_date 2006-09-15 _Entry.Last_release_date 2006-10-23 _Entry.Original_release_date 2006-10-23 _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 Alexander Lemak . . . 7297 2 Adelinda Yee . . . 7297 3 Jonathan Lukin . . . 7297 4 Murthy Karra . . . 7297 5 Aleksandras Gutmanas . . . 7297 6 Valeria Guido . . . 7297 7 Cheryl Arrowsmith . H. . 7297 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7297 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 417 7297 '15N chemical shifts' 95 7297 '1H chemical shifts' 648 7297 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 . . 2006-10-23 2006-09-14 original author . 7297 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2IDA 'BMRB Entry Tracking System' 7297 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7297 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of RPA1320' _Citation.Status published _Citation.Type 'BMRB only' _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 . 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 Alexander Lemak . . . 7297 1 2 Adelinda Yee . . . 7297 1 3 Jonathan Lukin . . . 7297 1 4 Murthy Karra . . . 7297 1 5 Aleksandras Gutmanas . . . 7297 1 6 Valeria Guido . . . 7297 1 7 Cheryl Arrowsmith . H. . 7297 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'conserved hypotetical protein RPA1320' 7297 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_rpa1320 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_rpa1320 _Assembly.Entry_ID 7297 _Assembly.ID 1 _Assembly.Name 'conserved hypotetical protein RPA1320' _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 'free and other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 7297 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 rpa1320 1 $rpa1320 . . . native . . . . . 7297 1 2 'ZINC ion, 1' 2 $ZN . . . native . . . . . 7297 1 3 'ZINC ion, 2' 2 $ZN . . . native . . . . . 7297 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 37 37 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 7297 1 2 coordination single . 1 . 1 CYS 40 40 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 7297 1 3 coordination single . 1 . 1 HIS 57 57 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 7297 1 4 coordination single . 1 . 1 HIS 63 63 ND1 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 7297 1 5 coordination single . 1 . 1 CYS 5 5 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 7297 1 6 coordination single . 1 . 1 CYS 78 78 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 7297 1 7 coordination single . 1 . 1 HIS 7 7 ND1 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 7297 1 8 coordination single . 1 . 1 ASP 81 81 OD1 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 7297 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'conserved hypotetical protein RPA1320' system 7297 1 rpa1320 abbreviation 7297 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'conserved hypotetical Zn-binding protein' 7297 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rpa1320 _Entity.Sf_category entity _Entity.Sf_framecode rpa1320 _Entity.Entry_ID 7297 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'conserved hypotetical protein rpa1320' _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 ; MTMGCRHVAGIRTVTPSALG CEECLKIGSPWVHLRICRTC GHVGCCDDSPHKHATRHFHA TGHPIIEGYDPPEGWGWCYV DEVMFDLSDRMTPHNGPIPR YV ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11412 _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 'conserved hypotetical protein rpa1320' common 7297 1 rpa1320 abbreviation 7297 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 . 7297 1 2 . THR . 7297 1 3 . MET . 7297 1 4 . GLY . 7297 1 5 . CYS . 7297 1 6 . ARG . 7297 1 7 . HIS . 7297 1 8 . VAL . 7297 1 9 . ALA . 7297 1 10 . GLY . 7297 1 11 . ILE . 7297 1 12 . ARG . 7297 1 13 . THR . 7297 1 14 . VAL . 7297 1 15 . THR . 7297 1 16 . PRO . 7297 1 17 . SER . 7297 1 18 . ALA . 7297 1 19 . LEU . 7297 1 20 . GLY . 7297 1 21 . CYS . 7297 1 22 . GLU . 7297 1 23 . GLU . 7297 1 24 . CYS . 7297 1 25 . LEU . 7297 1 26 . LYS . 7297 1 27 . ILE . 7297 1 28 . GLY . 7297 1 29 . SER . 7297 1 30 . PRO . 7297 1 31 . TRP . 7297 1 32 . VAL . 7297 1 33 . HIS . 7297 1 34 . LEU . 7297 1 35 . ARG . 7297 1 36 . ILE . 7297 1 37 . CYS . 7297 1 38 . ARG . 7297 1 39 . THR . 7297 1 40 . CYS . 7297 1 41 . GLY . 7297 1 42 . HIS . 7297 1 43 . VAL . 7297 1 44 . GLY . 7297 1 45 . CYS . 7297 1 46 . CYS . 7297 1 47 . ASP . 7297 1 48 . ASP . 7297 1 49 . SER . 7297 1 50 . PRO . 7297 1 51 . HIS . 7297 1 52 . LYS . 7297 1 53 . HIS . 7297 1 54 . ALA . 7297 1 55 . THR . 7297 1 56 . ARG . 7297 1 57 . HIS . 7297 1 58 . PHE . 7297 1 59 . HIS . 7297 1 60 . ALA . 7297 1 61 . THR . 7297 1 62 . GLY . 7297 1 63 . HIS . 7297 1 64 . PRO . 7297 1 65 . ILE . 7297 1 66 . ILE . 7297 1 67 . GLU . 7297 1 68 . GLY . 7297 1 69 . TYR . 7297 1 70 . ASP . 7297 1 71 . PRO . 7297 1 72 . PRO . 7297 1 73 . GLU . 7297 1 74 . GLY . 7297 1 75 . TRP . 7297 1 76 . GLY . 7297 1 77 . TRP . 7297 1 78 . CYS . 7297 1 79 . TYR . 7297 1 80 . VAL . 7297 1 81 . ASP . 7297 1 82 . GLU . 7297 1 83 . VAL . 7297 1 84 . MET . 7297 1 85 . PHE . 7297 1 86 . ASP . 7297 1 87 . LEU . 7297 1 88 . SER . 7297 1 89 . ASP . 7297 1 90 . ARG . 7297 1 91 . MET . 7297 1 92 . THR . 7297 1 93 . PRO . 7297 1 94 . HIS . 7297 1 95 . ASN . 7297 1 96 . GLY . 7297 1 97 . PRO . 7297 1 98 . ILE . 7297 1 99 . PRO . 7297 1 100 . ARG . 7297 1 101 . TYR . 7297 1 102 . VAL . 7297 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 7297 1 . THR 2 2 7297 1 . MET 3 3 7297 1 . GLY 4 4 7297 1 . CYS 5 5 7297 1 . ARG 6 6 7297 1 . HIS 7 7 7297 1 . VAL 8 8 7297 1 . ALA 9 9 7297 1 . GLY 10 10 7297 1 . ILE 11 11 7297 1 . ARG 12 12 7297 1 . THR 13 13 7297 1 . VAL 14 14 7297 1 . THR 15 15 7297 1 . PRO 16 16 7297 1 . SER 17 17 7297 1 . ALA 18 18 7297 1 . LEU 19 19 7297 1 . GLY 20 20 7297 1 . CYS 21 21 7297 1 . GLU 22 22 7297 1 . GLU 23 23 7297 1 . CYS 24 24 7297 1 . LEU 25 25 7297 1 . LYS 26 26 7297 1 . ILE 27 27 7297 1 . GLY 28 28 7297 1 . SER 29 29 7297 1 . PRO 30 30 7297 1 . TRP 31 31 7297 1 . VAL 32 32 7297 1 . HIS 33 33 7297 1 . LEU 34 34 7297 1 . ARG 35 35 7297 1 . ILE 36 36 7297 1 . CYS 37 37 7297 1 . ARG 38 38 7297 1 . THR 39 39 7297 1 . CYS 40 40 7297 1 . GLY 41 41 7297 1 . HIS 42 42 7297 1 . VAL 43 43 7297 1 . GLY 44 44 7297 1 . CYS 45 45 7297 1 . CYS 46 46 7297 1 . ASP 47 47 7297 1 . ASP 48 48 7297 1 . SER 49 49 7297 1 . PRO 50 50 7297 1 . HIS 51 51 7297 1 . LYS 52 52 7297 1 . HIS 53 53 7297 1 . ALA 54 54 7297 1 . THR 55 55 7297 1 . ARG 56 56 7297 1 . HIS 57 57 7297 1 . PHE 58 58 7297 1 . HIS 59 59 7297 1 . ALA 60 60 7297 1 . THR 61 61 7297 1 . GLY 62 62 7297 1 . HIS 63 63 7297 1 . PRO 64 64 7297 1 . ILE 65 65 7297 1 . ILE 66 66 7297 1 . GLU 67 67 7297 1 . GLY 68 68 7297 1 . TYR 69 69 7297 1 . ASP 70 70 7297 1 . PRO 71 71 7297 1 . PRO 72 72 7297 1 . GLU 73 73 7297 1 . GLY 74 74 7297 1 . TRP 75 75 7297 1 . GLY 76 76 7297 1 . TRP 77 77 7297 1 . CYS 78 78 7297 1 . TYR 79 79 7297 1 . VAL 80 80 7297 1 . ASP 81 81 7297 1 . GLU 82 82 7297 1 . VAL 83 83 7297 1 . MET 84 84 7297 1 . PHE 85 85 7297 1 . ASP 86 86 7297 1 . LEU 87 87 7297 1 . SER 88 88 7297 1 . ASP 89 89 7297 1 . ARG 90 90 7297 1 . MET 91 91 7297 1 . THR 92 92 7297 1 . PRO 93 93 7297 1 . HIS 94 94 7297 1 . ASN 95 95 7297 1 . GLY 96 96 7297 1 . PRO 97 97 7297 1 . ILE 98 98 7297 1 . PRO 99 99 7297 1 . ARG 100 100 7297 1 . TYR 101 101 7297 1 . VAL 102 102 7297 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 7297 _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 . 7297 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 7297 _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 $rpa1320 . 258594 organism . 'rhodopseudomonas palustris' 'Rhodopseudomonas palustris' . . Bacteria . rhodopseudomonas palustris . . . . . . . . . . . . . . . . . . . . . 7297 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 7297 _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 $rpa1320 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 DE3(gold)' . . . . . . . . . . . . plasmid . . P11 . . . . . . 7297 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 7297 _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 Mon Jun 20 15:29:31 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 7297 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 7297 ZN [Zn++] SMILES CACTVS 3.341 7297 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 7297 ZN [Zn+2] SMILES ACDLabs 10.04 7297 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 7297 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7297 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 7297 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7297 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 . 7297 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7297 _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 'conserved hypotetical protein rpa1320' '[U-13C; U-15N]' . . 1 $rpa1320 . . 0.6 . . mM . . . . 7297 1 2 NaCl . . . . . . . 250 . . mM . . . . 7297 1 3 TRIS . . . . . . . 10 . . mM . . . . 7297 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_set1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_set1 _Sample_condition_list.Entry_ID 7297 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.25 . M 7297 1 pH 7.3 0.2 pH 7297 1 temperature 298 1 K 7297 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 7297 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.95 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis' 7297 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7297 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7297 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker Avance . 600 . . . 7297 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 7297 _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 '15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_set1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7297 1 2 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_set1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7297 1 3 '4D HBHACBCAcoNH' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_set1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7297 1 4 '4D HCCcoNH TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_set1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7297 1 5 '13C HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_set1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7297 1 6 'HC(C)H TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_set1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7297 1 7 'HCC(H) TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_set1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7297 1 8 '15N NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_set1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7297 1 9 '13C NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_set1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7297 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 7297 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 7297 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 7297 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '4D HBHACBCAcoNH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 7297 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '4D HCCcoNH TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 7297 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 7297 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 'HC(C)H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 7297 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 'HCC(H) TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 7297 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 7297 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 7297 _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 . . . 1 $entry_citation . . 1 $entry_citation 7297 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7297 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7297 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 7297 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set1 _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 . 7297 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 CA C 13 55.768 0.400 . 1 . . . . . . . . 7297 1 2 . 1 1 1 1 MET HA H 1 4.558 0.020 . 1 . . . . . . . . 7297 1 3 . 1 1 1 1 MET CB C 13 33.460 0.400 . 1 . . . . . . . . 7297 1 4 . 1 1 1 1 MET HB2 H 1 2.088 0.400 . 1 . . . . . . . . 7297 1 5 . 1 1 1 1 MET HB3 H 1 2.088 0.400 . 1 . . . . . . . . 7297 1 6 . 1 1 1 1 MET CG C 13 31.988 0.400 . 1 . . . . . . . . 7297 1 7 . 1 1 1 1 MET HG2 H 1 2.558 0.020 . 2 . . . . . . . . 7297 1 8 . 1 1 1 1 MET HG3 H 1 2.645 0.020 . 2 . . . . . . . . 7297 1 9 . 1 1 1 1 MET C C 13 176.466 0.400 . 1 . . . . . . . . 7297 1 10 . 1 1 2 2 THR N N 15 116.799 0.400 . 1 . . . . . . . . 7297 1 11 . 1 1 2 2 THR H H 1 8.529 0.020 . 1 . . . . . . . . 7297 1 12 . 1 1 2 2 THR CA C 13 61.350 0.400 . 1 . . . . . . . . 7297 1 13 . 1 1 2 2 THR HA H 1 4.576 0.020 . 1 . . . . . . . . 7297 1 14 . 1 1 2 2 THR CB C 13 70.620 0.400 . 1 . . . . . . . . 7297 1 15 . 1 1 2 2 THR HB H 1 4.309 0.020 . 1 . . . . . . . . 7297 1 16 . 1 1 2 2 THR HG21 H 1 1.294 0.400 . 1 . . . . . . . . 7297 1 17 . 1 1 2 2 THR HG22 H 1 1.294 0.400 . 1 . . . . . . . . 7297 1 18 . 1 1 2 2 THR HG23 H 1 1.294 0.400 . 1 . . . . . . . . 7297 1 19 . 1 1 2 2 THR CG2 C 13 21.430 0.400 . 1 . . . . . . . . 7297 1 20 . 1 1 2 2 THR C C 13 174.292 0.400 . 1 . . . . . . . . 7297 1 21 . 1 1 3 3 MET N N 15 120.907 0.400 . 1 . . . . . . . . 7297 1 22 . 1 1 3 3 MET H H 1 8.483 0.020 . 1 . . . . . . . . 7297 1 23 . 1 1 3 3 MET CA C 13 55.476 0.400 . 1 . . . . . . . . 7297 1 24 . 1 1 3 3 MET HA H 1 4.559 0.020 . 1 . . . . . . . . 7297 1 25 . 1 1 3 3 MET CB C 13 32.450 0.400 . 1 . . . . . . . . 7297 1 26 . 1 1 3 3 MET HB2 H 1 2.057 0.020 . 2 . . . . . . . . 7297 1 27 . 1 1 3 3 MET HB3 H 1 2.156 0.020 . 2 . . . . . . . . 7297 1 28 . 1 1 3 3 MET CG C 13 31.988 0.400 . 1 . . . . . . . . 7297 1 29 . 1 1 3 3 MET HG2 H 1 2.578 0.020 . 2 . . . . . . . . 7297 1 30 . 1 1 3 3 MET HG3 H 1 2.665 0.020 . 2 . . . . . . . . 7297 1 31 . 1 1 3 3 MET C C 13 176.274 0.400 . 1 . . . . . . . . 7297 1 32 . 1 1 4 4 GLY N N 15 107.801 0.400 . 1 . . . . . . . . 7297 1 33 . 1 1 4 4 GLY H H 1 8.278 0.020 . 1 . . . . . . . . 7297 1 34 . 1 1 4 4 GLY CA C 13 44.958 0.400 . 1 . . . . . . . . 7297 1 35 . 1 1 4 4 GLY HA2 H 1 3.384 0.020 . 2 . . . . . . . . 7297 1 36 . 1 1 4 4 GLY HA3 H 1 3.738 0.020 . 2 . . . . . . . . 7297 1 37 . 1 1 4 4 GLY C C 13 171.831 0.400 . 1 . . . . . . . . 7297 1 38 . 1 1 5 5 CYS N N 15 117.025 0.400 . 1 . . . . . . . . 7297 1 39 . 1 1 5 5 CYS H H 1 6.812 0.020 . 1 . . . . . . . . 7297 1 40 . 1 1 5 5 CYS CA C 13 57.488 0.400 . 1 . . . . . . . . 7297 1 41 . 1 1 5 5 CYS HA H 1 4.748 0.020 . 1 . . . . . . . . 7297 1 42 . 1 1 5 5 CYS CB C 13 31.116 0.400 . 1 . . . . . . . . 7297 1 43 . 1 1 5 5 CYS HB2 H 1 2.672 0.020 . 2 . . . . . . . . 7297 1 44 . 1 1 5 5 CYS HB3 H 1 3.108 0.020 . 2 . . . . . . . . 7297 1 45 . 1 1 6 6 ARG CA C 13 57.162 0.400 . 1 . . . . . . . . 7297 1 46 . 1 1 6 6 ARG HA H 1 4.142 0.020 . 1 . . . . . . . . 7297 1 47 . 1 1 6 6 ARG CB C 13 29.182 0.400 . 1 . . . . . . . . 7297 1 48 . 1 1 6 6 ARG HB2 H 1 1.637 0.400 . 1 . . . . . . . . 7297 1 49 . 1 1 6 6 ARG HB3 H 1 1.637 0.400 . 1 . . . . . . . . 7297 1 50 . 1 1 6 6 ARG CG C 13 25.360 0.400 . 1 . . . . . . . . 7297 1 51 . 1 1 6 6 ARG HG2 H 1 0.697 0.020 . 2 . . . . . . . . 7297 1 52 . 1 1 6 6 ARG HG3 H 1 1.292 0.020 . 2 . . . . . . . . 7297 1 53 . 1 1 6 6 ARG CD C 13 43.050 0.400 . 1 . . . . . . . . 7297 1 54 . 1 1 6 6 ARG HD2 H 1 3.014 0.400 . 1 . . . . . . . . 7297 1 55 . 1 1 6 6 ARG HD3 H 1 3.014 0.400 . 1 . . . . . . . . 7297 1 56 . 1 1 6 6 ARG C C 13 176.821 0.400 . 1 . . . . . . . . 7297 1 57 . 1 1 7 7 HIS N N 15 120.334 0.400 . 1 . . . . . . . . 7297 1 58 . 1 1 7 7 HIS H H 1 9.343 0.020 . 1 . . . . . . . . 7297 1 59 . 1 1 7 7 HIS CA C 13 58.770 0.400 . 1 . . . . . . . . 7297 1 60 . 1 1 7 7 HIS HA H 1 4.504 0.020 . 1 . . . . . . . . 7297 1 61 . 1 1 7 7 HIS CB C 13 30.090 0.400 . 1 . . . . . . . . 7297 1 62 . 1 1 7 7 HIS HB2 H 1 2.889 0.020 . 2 . . . . . . . . 7297 1 63 . 1 1 7 7 HIS HB3 H 1 3.428 0.020 . 2 . . . . . . . . 7297 1 64 . 1 1 7 7 HIS CD2 C 13 118.700 0.400 . 1 . . . . . . . . 7297 1 65 . 1 1 7 7 HIS CE1 C 13 138.166 0.400 . 1 . . . . . . . . 7297 1 66 . 1 1 7 7 HIS HD2 H 1 7.365 0.020 . 1 . . . . . . . . 7297 1 67 . 1 1 7 7 HIS HE1 H 1 7.715 0.020 . 1 . . . . . . . . 7297 1 68 . 1 1 7 7 HIS C C 13 176.971 0.400 . 1 . . . . . . . . 7297 1 69 . 1 1 8 8 VAL N N 15 122.466 0.400 . 1 . . . . . . . . 7297 1 70 . 1 1 8 8 VAL H H 1 7.469 0.020 . 1 . . . . . . . . 7297 1 71 . 1 1 8 8 VAL CA C 13 65.650 0.400 . 1 . . . . . . . . 7297 1 72 . 1 1 8 8 VAL HA H 1 3.383 0.020 . 1 . . . . . . . . 7297 1 73 . 1 1 8 8 VAL CB C 13 31.191 0.400 . 1 . . . . . . . . 7297 1 74 . 1 1 8 8 VAL HB H 1 1.998 0.020 . 1 . . . . . . . . 7297 1 75 . 1 1 8 8 VAL HG11 H 1 0.538 0.400 . 2 . . . . . . . . 7297 1 76 . 1 1 8 8 VAL HG12 H 1 0.538 0.400 . 2 . . . . . . . . 7297 1 77 . 1 1 8 8 VAL HG13 H 1 0.538 0.400 . 2 . . . . . . . . 7297 1 78 . 1 1 8 8 VAL HG21 H 1 0.686 0.400 . 2 . . . . . . . . 7297 1 79 . 1 1 8 8 VAL HG22 H 1 0.686 0.400 . 2 . . . . . . . . 7297 1 80 . 1 1 8 8 VAL HG23 H 1 0.686 0.400 . 2 . . . . . . . . 7297 1 81 . 1 1 8 8 VAL CG1 C 13 21.654 0.400 . 1 . . . . . . . . 7297 1 82 . 1 1 8 8 VAL CG2 C 13 20.850 0.400 . 1 . . . . . . . . 7297 1 83 . 1 1 8 8 VAL C C 13 177.477 0.400 . 1 . . . . . . . . 7297 1 84 . 1 1 9 9 ALA N N 15 121.926 0.400 . 1 . . . . . . . . 7297 1 85 . 1 1 9 9 ALA H H 1 7.716 0.020 . 1 . . . . . . . . 7297 1 86 . 1 1 9 9 ALA CA C 13 54.170 0.400 . 1 . . . . . . . . 7297 1 87 . 1 1 9 9 ALA HA H 1 4.145 0.020 . 1 . . . . . . . . 7297 1 88 . 1 1 9 9 ALA HB1 H 1 1.384 0.400 . 1 . . . . . . . . 7297 1 89 . 1 1 9 9 ALA HB2 H 1 1.384 0.400 . 1 . . . . . . . . 7297 1 90 . 1 1 9 9 ALA HB3 H 1 1.384 0.400 . 1 . . . . . . . . 7297 1 91 . 1 1 9 9 ALA CB C 13 18.329 0.400 . 1 . . . . . . . . 7297 1 92 . 1 1 9 9 ALA C C 13 178.175 0.400 . 1 . . . . . . . . 7297 1 93 . 1 1 10 10 GLY N N 15 103.812 0.400 . 1 . . . . . . . . 7297 1 94 . 1 1 10 10 GLY H H 1 7.652 0.020 . 1 . . . . . . . . 7297 1 95 . 1 1 10 10 GLY CA C 13 44.850 0.400 . 1 . . . . . . . . 7297 1 96 . 1 1 10 10 GLY HA2 H 1 4.302 0.020 . 2 . . . . . . . . 7297 1 97 . 1 1 10 10 GLY HA3 H 1 3.740 0.020 . 2 . . . . . . . . 7297 1 98 . 1 1 10 10 GLY C C 13 174.852 0.400 . 1 . . . . . . . . 7297 1 99 . 1 1 11 11 ILE N N 15 120.694 0.400 . 1 . . . . . . . . 7297 1 100 . 1 1 11 11 ILE H H 1 7.248 0.020 . 1 . . . . . . . . 7297 1 101 . 1 1 11 11 ILE CA C 13 63.968 0.400 . 1 . . . . . . . . 7297 1 102 . 1 1 11 11 ILE HA H 1 3.843 0.020 . 1 . . . . . . . . 7297 1 103 . 1 1 11 11 ILE CB C 13 38.374 0.400 . 1 . . . . . . . . 7297 1 104 . 1 1 11 11 ILE HB H 1 1.884 0.020 . 1 . . . . . . . . 7297 1 105 . 1 1 11 11 ILE HG21 H 1 0.948 0.400 . 1 . . . . . . . . 7297 1 106 . 1 1 11 11 ILE HG22 H 1 0.948 0.400 . 1 . . . . . . . . 7297 1 107 . 1 1 11 11 ILE HG23 H 1 0.948 0.400 . 1 . . . . . . . . 7297 1 108 . 1 1 11 11 ILE CG2 C 13 17.270 0.400 . 1 . . . . . . . . 7297 1 109 . 1 1 11 11 ILE CG1 C 13 28.768 0.400 . 1 . . . . . . . . 7297 1 110 . 1 1 11 11 ILE HG12 H 1 1.091 0.020 . 2 . . . . . . . . 7297 1 111 . 1 1 11 11 ILE HG13 H 1 1.850 0.020 . 2 . . . . . . . . 7297 1 112 . 1 1 11 11 ILE HD11 H 1 1.083 0.400 . 1 . . . . . . . . 7297 1 113 . 1 1 11 11 ILE HD12 H 1 1.083 0.400 . 1 . . . . . . . . 7297 1 114 . 1 1 11 11 ILE HD13 H 1 1.083 0.400 . 1 . . . . . . . . 7297 1 115 . 1 1 11 11 ILE CD1 C 13 15.650 0.400 . 1 . . . . . . . . 7297 1 116 . 1 1 11 11 ILE C C 13 175.399 0.400 . 1 . . . . . . . . 7297 1 117 . 1 1 12 12 ARG N N 15 126.383 0.400 . 1 . . . . . . . . 7297 1 118 . 1 1 12 12 ARG H H 1 8.443 0.020 . 1 . . . . . . . . 7297 1 119 . 1 1 12 12 ARG CA C 13 53.950 0.400 . 1 . . . . . . . . 7297 1 120 . 1 1 12 12 ARG HA H 1 4.808 0.020 . 1 . . . . . . . . 7297 1 121 . 1 1 12 12 ARG CB C 13 32.230 0.400 . 1 . . . . . . . . 7297 1 122 . 1 1 12 12 ARG HB2 H 1 1.643 0.020 . 2 . . . . . . . . 7297 1 123 . 1 1 12 12 ARG HB3 H 1 1.821 0.020 . 2 . . . . . . . . 7297 1 124 . 1 1 12 12 ARG CG C 13 27.190 0.400 . 1 . . . . . . . . 7297 1 125 . 1 1 12 12 ARG HG2 H 1 1.875 0.400 . 1 . . . . . . . . 7297 1 126 . 1 1 12 12 ARG HG3 H 1 1.875 0.400 . 1 . . . . . . . . 7297 1 127 . 1 1 12 12 ARG CD C 13 43.200 0.400 . 1 . . . . . . . . 7297 1 128 . 1 1 12 12 ARG HD2 H 1 3.361 0.400 . 1 . . . . . . . . 7297 1 129 . 1 1 12 12 ARG HD3 H 1 3.361 0.400 . 1 . . . . . . . . 7297 1 130 . 1 1 12 12 ARG C C 13 177.026 0.400 . 1 . . . . . . . . 7297 1 131 . 1 1 13 13 THR N N 15 121.714 0.400 . 1 . . . . . . . . 7297 1 132 . 1 1 13 13 THR H H 1 8.750 0.020 . 1 . . . . . . . . 7297 1 133 . 1 1 13 13 THR CA C 13 63.140 0.400 . 1 . . . . . . . . 7297 1 134 . 1 1 13 13 THR HA H 1 4.344 0.020 . 1 . . . . . . . . 7297 1 135 . 1 1 13 13 THR CB C 13 68.260 0.400 . 1 . . . . . . . . 7297 1 136 . 1 1 13 13 THR HB H 1 4.035 0.020 . 1 . . . . . . . . 7297 1 137 . 1 1 13 13 THR HG21 H 1 1.189 0.400 . 1 . . . . . . . . 7297 1 138 . 1 1 13 13 THR HG22 H 1 1.189 0.400 . 1 . . . . . . . . 7297 1 139 . 1 1 13 13 THR HG23 H 1 1.189 0.400 . 1 . . . . . . . . 7297 1 140 . 1 1 13 13 THR CG2 C 13 21.685 0.400 . 1 . . . . . . . . 7297 1 141 . 1 1 13 13 THR C C 13 174.401 0.400 . 1 . . . . . . . . 7297 1 142 . 1 1 14 14 VAL N N 15 120.979 0.400 . 1 . . . . . . . . 7297 1 143 . 1 1 14 14 VAL H H 1 8.855 0.020 . 1 . . . . . . . . 7297 1 144 . 1 1 14 14 VAL CA C 13 58.664 0.400 . 1 . . . . . . . . 7297 1 145 . 1 1 14 14 VAL HA H 1 4.621 0.020 . 1 . . . . . . . . 7297 1 146 . 1 1 14 14 VAL CB C 13 35.090 0.400 . 1 . . . . . . . . 7297 1 147 . 1 1 14 14 VAL HB H 1 1.717 0.020 . 1 . . . . . . . . 7297 1 148 . 1 1 14 14 VAL HG11 H 1 0.574 0.400 . 2 . . . . . . . . 7297 1 149 . 1 1 14 14 VAL HG12 H 1 0.574 0.400 . 2 . . . . . . . . 7297 1 150 . 1 1 14 14 VAL HG13 H 1 0.574 0.400 . 2 . . . . . . . . 7297 1 151 . 1 1 14 14 VAL HG21 H 1 0.701 0.400 . 2 . . . . . . . . 7297 1 152 . 1 1 14 14 VAL HG22 H 1 0.701 0.400 . 2 . . . . . . . . 7297 1 153 . 1 1 14 14 VAL HG23 H 1 0.701 0.400 . 2 . . . . . . . . 7297 1 154 . 1 1 14 14 VAL CG1 C 13 21.640 0.400 . 1 . . . . . . . . 7297 1 155 . 1 1 14 14 VAL CG2 C 13 17.556 0.400 . 1 . . . . . . . . 7297 1 156 . 1 1 14 14 VAL C C 13 174.059 0.400 . 1 . . . . . . . . 7297 1 157 . 1 1 15 15 THR N N 15 118.090 0.400 . 1 . . . . . . . . 7297 1 158 . 1 1 15 15 THR H H 1 8.505 0.020 . 1 . . . . . . . . 7297 1 159 . 1 1 15 15 THR CA C 13 58.973 0.400 . 1 . . . . . . . . 7297 1 160 . 1 1 15 15 THR HA H 1 4.645 0.020 . 1 . . . . . . . . 7297 1 161 . 1 1 15 15 THR CB C 13 70.362 0.400 . 1 . . . . . . . . 7297 1 162 . 1 1 15 15 THR HB H 1 3.853 0.020 . 1 . . . . . . . . 7297 1 163 . 1 1 15 15 THR HG21 H 1 1.144 0.400 . 1 . . . . . . . . 7297 1 164 . 1 1 15 15 THR HG22 H 1 1.144 0.400 . 1 . . . . . . . . 7297 1 165 . 1 1 15 15 THR HG23 H 1 1.144 0.400 . 1 . . . . . . . . 7297 1 166 . 1 1 15 15 THR CG2 C 13 20.645 0.400 . 1 . . . . . . . . 7297 1 167 . 1 1 16 16 PRO CD C 13 51.635 0.400 . 1 . . . . . . . . 7297 1 168 . 1 1 16 16 PRO CA C 13 62.750 0.400 . 1 . . . . . . . . 7297 1 169 . 1 1 16 16 PRO HA H 1 4.426 0.020 . 1 . . . . . . . . 7297 1 170 . 1 1 16 16 PRO CB C 13 33.210 0.400 . 1 . . . . . . . . 7297 1 171 . 1 1 16 16 PRO HB2 H 1 1.815 0.020 . 2 . . . . . . . . 7297 1 172 . 1 1 16 16 PRO HB3 H 1 1.934 0.020 . 2 . . . . . . . . 7297 1 173 . 1 1 16 16 PRO CG C 13 28.431 0.400 . 1 . . . . . . . . 7297 1 174 . 1 1 16 16 PRO HG2 H 1 1.589 0.020 . 2 . . . . . . . . 7297 1 175 . 1 1 16 16 PRO HG3 H 1 2.241 0.020 . 2 . . . . . . . . 7297 1 176 . 1 1 16 16 PRO HD2 H 1 3.845 0.020 . 2 . . . . . . . . 7297 1 177 . 1 1 16 16 PRO HD3 H 1 3.480 0.020 . 2 . . . . . . . . 7297 1 178 . 1 1 16 16 PRO C C 13 179.501 0.400 . 1 . . . . . . . . 7297 1 179 . 1 1 17 17 SER N N 15 120.576 0.400 . 1 . . . . . . . . 7297 1 180 . 1 1 17 17 SER H H 1 8.402 0.020 . 1 . . . . . . . . 7297 1 181 . 1 1 17 17 SER CA C 13 60.309 0.400 . 1 . . . . . . . . 7297 1 182 . 1 1 17 17 SER HA H 1 3.995 0.020 . 1 . . . . . . . . 7297 1 183 . 1 1 17 17 SER CB C 13 64.015 0.400 . 1 . . . . . . . . 7297 1 184 . 1 1 17 17 SER HB2 H 1 4.095 0.020 . 2 . . . . . . . . 7297 1 185 . 1 1 17 17 SER HB3 H 1 3.755 0.020 . 2 . . . . . . . . 7297 1 186 . 1 1 17 17 SER C C 13 173.403 0.400 . 1 . . . . . . . . 7297 1 187 . 1 1 18 18 ALA N N 15 120.836 0.400 . 1 . . . . . . . . 7297 1 188 . 1 1 18 18 ALA H H 1 7.205 0.020 . 1 . . . . . . . . 7297 1 189 . 1 1 18 18 ALA CA C 13 51.380 0.400 . 1 . . . . . . . . 7297 1 190 . 1 1 18 18 ALA HA H 1 4.385 0.020 . 1 . . . . . . . . 7297 1 191 . 1 1 18 18 ALA HB1 H 1 1.157 0.400 . 1 . . . . . . . . 7297 1 192 . 1 1 18 18 ALA HB2 H 1 1.157 0.400 . 1 . . . . . . . . 7297 1 193 . 1 1 18 18 ALA HB3 H 1 1.157 0.400 . 1 . . . . . . . . 7297 1 194 . 1 1 18 18 ALA CB C 13 21.820 0.400 . 1 . . . . . . . . 7297 1 195 . 1 1 18 18 ALA C C 13 176.671 0.400 . 1 . . . . . . . . 7297 1 196 . 1 1 19 19 LEU N N 15 124.909 0.400 . 1 . . . . . . . . 7297 1 197 . 1 1 19 19 LEU H H 1 8.703 0.020 . 1 . . . . . . . . 7297 1 198 . 1 1 19 19 LEU CA C 13 52.914 0.400 . 1 . . . . . . . . 7297 1 199 . 1 1 19 19 LEU HA H 1 4.565 0.020 . 1 . . . . . . . . 7297 1 200 . 1 1 19 19 LEU CB C 13 38.234 0.400 . 1 . . . . . . . . 7297 1 201 . 1 1 19 19 LEU HB2 H 1 1.575 0.020 . 2 . . . . . . . . 7297 1 202 . 1 1 19 19 LEU HB3 H 1 1.801 0.020 . 2 . . . . . . . . 7297 1 203 . 1 1 19 19 LEU CG C 13 26.210 0.400 . 1 . . . . . . . . 7297 1 204 . 1 1 19 19 LEU HG H 1 1.478 0.020 . 1 . . . . . . . . 7297 1 205 . 1 1 19 19 LEU HD11 H 1 0.886 0.400 . 2 . . . . . . . . 7297 1 206 . 1 1 19 19 LEU HD12 H 1 0.886 0.400 . 2 . . . . . . . . 7297 1 207 . 1 1 19 19 LEU HD13 H 1 0.886 0.400 . 2 . . . . . . . . 7297 1 208 . 1 1 19 19 LEU HD21 H 1 0.531 0.400 . 2 . . . . . . . . 7297 1 209 . 1 1 19 19 LEU HD22 H 1 0.531 0.400 . 2 . . . . . . . . 7297 1 210 . 1 1 19 19 LEU HD23 H 1 0.531 0.400 . 2 . . . . . . . . 7297 1 211 . 1 1 19 19 LEU CD1 C 13 25.517 0.400 . 1 . . . . . . . . 7297 1 212 . 1 1 19 19 LEU CD2 C 13 23.138 0.400 . 1 . . . . . . . . 7297 1 213 . 1 1 19 19 LEU C C 13 176.110 0.400 . 1 . . . . . . . . 7297 1 214 . 1 1 20 20 GLY N N 15 103.792 0.400 . 1 . . . . . . . . 7297 1 215 . 1 1 20 20 GLY H H 1 7.222 0.020 . 1 . . . . . . . . 7297 1 216 . 1 1 20 20 GLY CA C 13 44.833 0.400 . 1 . . . . . . . . 7297 1 217 . 1 1 20 20 GLY HA2 H 1 3.217 0.020 . 2 . . . . . . . . 7297 1 218 . 1 1 20 20 GLY HA3 H 1 4.215 0.020 . 2 . . . . . . . . 7297 1 219 . 1 1 21 21 CYS N N 15 115.989 0.400 . 1 . . . . . . . . 7297 1 220 . 1 1 21 21 CYS H H 1 3.723 0.020 . 1 . . . . . . . . 7297 1 221 . 1 1 21 21 CYS CA C 13 58.190 0.400 . 1 . . . . . . . . 7297 1 222 . 1 1 21 21 CYS HA H 1 3.476 0.020 . 1 . . . . . . . . 7297 1 223 . 1 1 21 21 CYS CB C 13 26.887 0.400 . 1 . . . . . . . . 7297 1 224 . 1 1 21 21 CYS HB2 H 1 1.870 0.020 . 2 . . . . . . . . 7297 1 225 . 1 1 21 21 CYS HB3 H 1 2.238 0.020 . 2 . . . . . . . . 7297 1 226 . 1 1 21 21 CYS C C 13 175.098 0.400 . 1 . . . . . . . . 7297 1 227 . 1 1 22 22 GLU N N 15 131.450 0.400 . 1 . . . . . . . . 7297 1 228 . 1 1 22 22 GLU H H 1 7.900 0.020 . 1 . . . . . . . . 7297 1 229 . 1 1 22 22 GLU CA C 13 60.061 0.400 . 1 . . . . . . . . 7297 1 230 . 1 1 22 22 GLU HA H 1 3.275 0.020 . 1 . . . . . . . . 7297 1 231 . 1 1 22 22 GLU CB C 13 29.965 0.400 . 1 . . . . . . . . 7297 1 232 . 1 1 22 22 GLU HB2 H 1 1.695 0.400 . 1 . . . . . . . . 7297 1 233 . 1 1 22 22 GLU HB3 H 1 1.695 0.400 . 1 . . . . . . . . 7297 1 234 . 1 1 22 22 GLU CG C 13 35.240 0.400 . 1 . . . . . . . . 7297 1 235 . 1 1 22 22 GLU HG2 H 1 1.923 0.020 . 2 . . . . . . . . 7297 1 236 . 1 1 22 22 GLU HG3 H 1 2.109 0.020 . 2 . . . . . . . . 7297 1 237 . 1 1 23 23 GLU CA C 13 59.990 0.400 . 1 . . . . . . . . 7297 1 238 . 1 1 23 23 GLU HA H 1 3.888 0.020 . 1 . . . . . . . . 7297 1 239 . 1 1 23 23 GLU CB C 13 27.285 0.400 . 1 . . . . . . . . 7297 1 240 . 1 1 23 23 GLU HB2 H 1 0.219 0.020 . 2 . . . . . . . . 7297 1 241 . 1 1 23 23 GLU HB3 H 1 1.079 0.020 . 2 . . . . . . . . 7297 1 242 . 1 1 23 23 GLU CG C 13 37.350 0.400 . 1 . . . . . . . . 7297 1 243 . 1 1 23 23 GLU HG2 H 1 2.099 0.400 . 1 . . . . . . . . 7297 1 244 . 1 1 23 23 GLU HG3 H 1 2.099 0.400 . 1 . . . . . . . . 7297 1 245 . 1 1 24 24 CYS N N 15 124.805 0.400 . 1 . . . . . . . . 7297 1 246 . 1 1 24 24 CYS H H 1 8.648 0.020 . 1 . . . . . . . . 7297 1 247 . 1 1 24 24 CYS CA C 13 67.980 0.400 . 1 . . . . . . . . 7297 1 248 . 1 1 24 24 CYS HA H 1 4.116 0.020 . 1 . . . . . . . . 7297 1 249 . 1 1 24 24 CYS CB C 13 30.546 0.400 . 1 . . . . . . . . 7297 1 250 . 1 1 24 24 CYS HB2 H 1 2.945 0.020 . 2 . . . . . . . . 7297 1 251 . 1 1 24 24 CYS HB3 H 1 3.985 0.020 . 2 . . . . . . . . 7297 1 252 . 1 1 24 24 CYS C C 13 179.897 0.400 . 1 . . . . . . . . 7297 1 253 . 1 1 25 25 LEU N N 15 118.893 0.400 . 1 . . . . . . . . 7297 1 254 . 1 1 25 25 LEU H H 1 8.490 0.020 . 1 . . . . . . . . 7297 1 255 . 1 1 25 25 LEU CA C 13 57.694 0.400 . 1 . . . . . . . . 7297 1 256 . 1 1 25 25 LEU HA H 1 4.277 0.020 . 1 . . . . . . . . 7297 1 257 . 1 1 25 25 LEU CB C 13 42.495 0.400 . 1 . . . . . . . . 7297 1 258 . 1 1 25 25 LEU HB2 H 1 1.408 0.020 . 2 . . . . . . . . 7297 1 259 . 1 1 25 25 LEU HB3 H 1 1.817 0.020 . 2 . . . . . . . . 7297 1 260 . 1 1 25 25 LEU CG C 13 27.150 0.400 . 1 . . . . . . . . 7297 1 261 . 1 1 25 25 LEU HG H 1 1.894 0.020 . 1 . . . . . . . . 7297 1 262 . 1 1 25 25 LEU HD11 H 1 1.186 0.400 . 2 . . . . . . . . 7297 1 263 . 1 1 25 25 LEU HD12 H 1 1.186 0.400 . 2 . . . . . . . . 7297 1 264 . 1 1 25 25 LEU HD13 H 1 1.186 0.400 . 2 . . . . . . . . 7297 1 265 . 1 1 25 25 LEU HD21 H 1 0.554 0.400 . 2 . . . . . . . . 7297 1 266 . 1 1 25 25 LEU HD22 H 1 0.554 0.400 . 2 . . . . . . . . 7297 1 267 . 1 1 25 25 LEU HD23 H 1 0.554 0.400 . 2 . . . . . . . . 7297 1 268 . 1 1 25 25 LEU CD1 C 13 22.770 0.400 . 1 . . . . . . . . 7297 1 269 . 1 1 25 25 LEU CD2 C 13 25.870 0.400 . 1 . . . . . . . . 7297 1 270 . 1 1 25 25 LEU C C 13 180.157 0.400 . 1 . . . . . . . . 7297 1 271 . 1 1 26 26 LYS N N 15 116.492 0.400 . 1 . . . . . . . . 7297 1 272 . 1 1 26 26 LYS H H 1 6.975 0.020 . 1 . . . . . . . . 7297 1 273 . 1 1 26 26 LYS CA C 13 58.961 0.400 . 1 . . . . . . . . 7297 1 274 . 1 1 26 26 LYS HA H 1 4.126 0.020 . 1 . . . . . . . . 7297 1 275 . 1 1 26 26 LYS CB C 13 33.072 0.400 . 1 . . . . . . . . 7297 1 276 . 1 1 26 26 LYS HB2 H 1 1.954 0.400 . 1 . . . . . . . . 7297 1 277 . 1 1 26 26 LYS HB3 H 1 1.954 0.400 . 1 . . . . . . . . 7297 1 278 . 1 1 26 26 LYS CG C 13 25.430 0.400 . 1 . . . . . . . . 7297 1 279 . 1 1 26 26 LYS HG2 H 1 1.722 0.020 . 2 . . . . . . . . 7297 1 280 . 1 1 26 26 LYS HG3 H 1 1.441 0.020 . 2 . . . . . . . . 7297 1 281 . 1 1 26 26 LYS CD C 13 29.510 0.400 . 1 . . . . . . . . 7297 1 282 . 1 1 26 26 LYS HD2 H 1 1.701 0.400 . 1 . . . . . . . . 7297 1 283 . 1 1 26 26 LYS HD3 H 1 1.701 0.400 . 1 . . . . . . . . 7297 1 284 . 1 1 26 26 LYS CE C 13 41.946 0.400 . 1 . . . . . . . . 7297 1 285 . 1 1 26 26 LYS HE2 H 1 2.927 0.400 . 1 . . . . . . . . 7297 1 286 . 1 1 26 26 LYS HE3 H 1 2.927 0.400 . 1 . . . . . . . . 7297 1 287 . 1 1 26 26 LYS C C 13 178.298 0.400 . 1 . . . . . . . . 7297 1 288 . 1 1 27 27 ILE N N 15 109.126 0.400 . 1 . . . . . . . . 7297 1 289 . 1 1 27 27 ILE H H 1 7.268 0.020 . 1 . . . . . . . . 7297 1 290 . 1 1 27 27 ILE CA C 13 61.320 0.400 . 1 . . . . . . . . 7297 1 291 . 1 1 27 27 ILE HA H 1 4.517 0.020 . 1 . . . . . . . . 7297 1 292 . 1 1 27 27 ILE CB C 13 39.097 0.400 . 1 . . . . . . . . 7297 1 293 . 1 1 27 27 ILE HB H 1 2.217 0.020 . 1 . . . . . . . . 7297 1 294 . 1 1 27 27 ILE HG21 H 1 0.891 0.400 . 1 . . . . . . . . 7297 1 295 . 1 1 27 27 ILE HG22 H 1 0.891 0.400 . 1 . . . . . . . . 7297 1 296 . 1 1 27 27 ILE HG23 H 1 0.891 0.400 . 1 . . . . . . . . 7297 1 297 . 1 1 27 27 ILE CG2 C 13 17.460 0.400 . 1 . . . . . . . . 7297 1 298 . 1 1 27 27 ILE CG1 C 13 26.212 0.400 . 1 . . . . . . . . 7297 1 299 . 1 1 27 27 ILE HG12 H 1 1.481 0.020 . 2 . . . . . . . . 7297 1 300 . 1 1 27 27 ILE HG13 H 1 1.304 0.020 . 2 . . . . . . . . 7297 1 301 . 1 1 27 27 ILE HD11 H 1 0.642 0.400 . 1 . . . . . . . . 7297 1 302 . 1 1 27 27 ILE HD12 H 1 0.642 0.400 . 1 . . . . . . . . 7297 1 303 . 1 1 27 27 ILE HD13 H 1 0.642 0.400 . 1 . . . . . . . . 7297 1 304 . 1 1 27 27 ILE CD1 C 13 12.908 0.400 . 1 . . . . . . . . 7297 1 305 . 1 1 27 27 ILE C C 13 176.684 0.400 . 1 . . . . . . . . 7297 1 306 . 1 1 28 28 GLY N N 15 112.271 0.400 . 1 . . . . . . . . 7297 1 307 . 1 1 28 28 GLY H H 1 7.980 0.020 . 1 . . . . . . . . 7297 1 308 . 1 1 28 28 GLY CA C 13 46.650 0.400 . 1 . . . . . . . . 7297 1 309 . 1 1 28 28 GLY HA2 H 1 4.102 0.020 . 2 . . . . . . . . 7297 1 310 . 1 1 28 28 GLY HA3 H 1 3.997 0.020 . 2 . . . . . . . . 7297 1 311 . 1 1 28 28 GLY C C 13 174.784 0.400 . 1 . . . . . . . . 7297 1 312 . 1 1 29 29 SER N N 15 114.555 0.400 . 1 . . . . . . . . 7297 1 313 . 1 1 29 29 SER H H 1 7.917 0.020 . 1 . . . . . . . . 7297 1 314 . 1 1 29 29 SER CA C 13 54.859 0.400 . 1 . . . . . . . . 7297 1 315 . 1 1 29 29 SER HA H 1 5.083 0.020 . 1 . . . . . . . . 7297 1 316 . 1 1 29 29 SER CB C 13 65.507 0.400 . 1 . . . . . . . . 7297 1 317 . 1 1 29 29 SER HB2 H 1 4.384 0.020 . 2 . . . . . . . . 7297 1 318 . 1 1 29 29 SER HB3 H 1 3.988 0.020 . 2 . . . . . . . . 7297 1 319 . 1 1 30 30 PRO CD C 13 50.444 0.400 . 1 . . . . . . . . 7297 1 320 . 1 1 30 30 PRO CA C 13 62.086 0.400 . 1 . . . . . . . . 7297 1 321 . 1 1 30 30 PRO HA H 1 3.381 0.020 . 1 . . . . . . . . 7297 1 322 . 1 1 30 30 PRO CB C 13 32.172 0.400 . 1 . . . . . . . . 7297 1 323 . 1 1 30 30 PRO HB2 H 1 1.155 0.400 . 1 . . . . . . . . 7297 1 324 . 1 1 30 30 PRO HB3 H 1 1.155 0.400 . 1 . . . . . . . . 7297 1 325 . 1 1 30 30 PRO CG C 13 26.340 0.400 . 1 . . . . . . . . 7297 1 326 . 1 1 30 30 PRO HG2 H 1 1.602 0.020 . 2 . . . . . . . . 7297 1 327 . 1 1 30 30 PRO HG3 H 1 1.704 0.020 . 2 . . . . . . . . 7297 1 328 . 1 1 30 30 PRO HD2 H 1 3.782 0.020 . 2 . . . . . . . . 7297 1 329 . 1 1 30 30 PRO HD3 H 1 3.611 0.020 . 2 . . . . . . . . 7297 1 330 . 1 1 30 30 PRO C C 13 177.928 0.400 . 1 . . . . . . . . 7297 1 331 . 1 1 31 31 TRP N N 15 110.977 0.400 . 1 . . . . . . . . 7297 1 332 . 1 1 31 31 TRP H H 1 5.717 0.020 . 1 . . . . . . . . 7297 1 333 . 1 1 31 31 TRP CA C 13 56.741 0.400 . 1 . . . . . . . . 7297 1 334 . 1 1 31 31 TRP HA H 1 4.876 0.020 . 1 . . . . . . . . 7297 1 335 . 1 1 31 31 TRP CB C 13 31.230 0.400 . 1 . . . . . . . . 7297 1 336 . 1 1 31 31 TRP HB2 H 1 3.495 0.020 . 2 . . . . . . . . 7297 1 337 . 1 1 31 31 TRP HB3 H 1 3.979 0.020 . 2 . . . . . . . . 7297 1 338 . 1 1 31 31 TRP CD1 C 13 127.200 0.400 . 1 . . . . . . . . 7297 1 339 . 1 1 31 31 TRP CE3 C 13 124.100 0.400 . 1 . . . . . . . . 7297 1 340 . 1 1 31 31 TRP NE1 N 15 133.125 0.400 . 1 . . . . . . . . 7297 1 341 . 1 1 31 31 TRP HD1 H 1 6.823 0.020 . 1 . . . . . . . . 7297 1 342 . 1 1 31 31 TRP HE3 H 1 7.938 0.020 . 1 . . . . . . . . 7297 1 343 . 1 1 31 31 TRP CZ3 C 13 122.100 0.400 . 1 . . . . . . . . 7297 1 344 . 1 1 31 31 TRP CZ2 C 13 115.060 0.400 . 1 . . . . . . . . 7297 1 345 . 1 1 31 31 TRP HE1 H 1 11.265 0.020 . 1 . . . . . . . . 7297 1 346 . 1 1 31 31 TRP HZ3 H 1 7.215 0.020 . 1 . . . . . . . . 7297 1 347 . 1 1 31 31 TRP CH2 C 13 122.900 0.400 . 1 . . . . . . . . 7297 1 348 . 1 1 31 31 TRP HZ2 H 1 7.663 0.020 . 1 . . . . . . . . 7297 1 349 . 1 1 31 31 TRP HH2 H 1 7.277 0.020 . 1 . . . . . . . . 7297 1 350 . 1 1 31 31 TRP C C 13 173.964 0.400 . 1 . . . . . . . . 7297 1 351 . 1 1 32 32 VAL N N 15 121.189 0.400 . 1 . . . . . . . . 7297 1 352 . 1 1 32 32 VAL H H 1 9.298 0.020 . 1 . . . . . . . . 7297 1 353 . 1 1 32 32 VAL CA C 13 65.043 0.400 . 1 . . . . . . . . 7297 1 354 . 1 1 32 32 VAL HA H 1 4.271 0.020 . 1 . . . . . . . . 7297 1 355 . 1 1 32 32 VAL CB C 13 30.625 0.400 . 1 . . . . . . . . 7297 1 356 . 1 1 32 32 VAL HB H 1 2.105 0.020 . 1 . . . . . . . . 7297 1 357 . 1 1 32 32 VAL HG11 H 1 0.778 0.400 . 2 . . . . . . . . 7297 1 358 . 1 1 32 32 VAL HG12 H 1 0.778 0.400 . 2 . . . . . . . . 7297 1 359 . 1 1 32 32 VAL HG13 H 1 0.778 0.400 . 2 . . . . . . . . 7297 1 360 . 1 1 32 32 VAL HG21 H 1 0.449 0.400 . 2 . . . . . . . . 7297 1 361 . 1 1 32 32 VAL HG22 H 1 0.449 0.400 . 2 . . . . . . . . 7297 1 362 . 1 1 32 32 VAL HG23 H 1 0.449 0.400 . 2 . . . . . . . . 7297 1 363 . 1 1 32 32 VAL CG1 C 13 21.635 0.400 . 1 . . . . . . . . 7297 1 364 . 1 1 32 32 VAL CG2 C 13 20.205 0.400 . 1 . . . . . . . . 7297 1 365 . 1 1 32 32 VAL C C 13 173.649 0.400 . 1 . . . . . . . . 7297 1 366 . 1 1 33 33 HIS N N 15 122.389 0.400 . 1 . . . . . . . . 7297 1 367 . 1 1 33 33 HIS H H 1 9.659 0.020 . 1 . . . . . . . . 7297 1 368 . 1 1 33 33 HIS CA C 13 52.864 0.400 . 1 . . . . . . . . 7297 1 369 . 1 1 33 33 HIS HA H 1 5.701 0.020 . 1 . . . . . . . . 7297 1 370 . 1 1 33 33 HIS CB C 13 33.003 0.400 . 1 . . . . . . . . 7297 1 371 . 1 1 33 33 HIS HB2 H 1 3.601 0.020 . 2 . . . . . . . . 7297 1 372 . 1 1 33 33 HIS HB3 H 1 3.945 0.020 . 2 . . . . . . . . 7297 1 373 . 1 1 33 33 HIS C C 13 174.524 0.400 . 1 . . . . . . . . 7297 1 374 . 1 1 34 34 LEU N N 15 113.976 0.400 . 1 . . . . . . . . 7297 1 375 . 1 1 34 34 LEU H H 1 9.465 0.020 . 1 . . . . . . . . 7297 1 376 . 1 1 34 34 LEU CA C 13 53.380 0.400 . 1 . . . . . . . . 7297 1 377 . 1 1 34 34 LEU HA H 1 5.244 0.020 . 1 . . . . . . . . 7297 1 378 . 1 1 34 34 LEU CB C 13 46.228 0.400 . 1 . . . . . . . . 7297 1 379 . 1 1 34 34 LEU HB2 H 1 1.084 0.020 . 2 . . . . . . . . 7297 1 380 . 1 1 34 34 LEU HB3 H 1 1.822 0.020 . 2 . . . . . . . . 7297 1 381 . 1 1 34 34 LEU CG C 13 26.430 0.400 . 1 . . . . . . . . 7297 1 382 . 1 1 34 34 LEU HG H 1 1.582 0.020 . 1 . . . . . . . . 7297 1 383 . 1 1 34 34 LEU HD11 H 1 0.722 0.400 . 2 . . . . . . . . 7297 1 384 . 1 1 34 34 LEU HD12 H 1 0.722 0.400 . 2 . . . . . . . . 7297 1 385 . 1 1 34 34 LEU HD13 H 1 0.722 0.400 . 2 . . . . . . . . 7297 1 386 . 1 1 34 34 LEU HD21 H 1 -0.445 0.400 . 2 . . . . . . . . 7297 1 387 . 1 1 34 34 LEU HD22 H 1 -0.445 0.400 . 2 . . . . . . . . 7297 1 388 . 1 1 34 34 LEU HD23 H 1 -0.445 0.400 . 2 . . . . . . . . 7297 1 389 . 1 1 34 34 LEU CD1 C 13 26.400 0.400 . 1 . . . . . . . . 7297 1 390 . 1 1 34 34 LEU CD2 C 13 22.540 0.400 . 1 . . . . . . . . 7297 1 391 . 1 1 34 34 LEU C C 13 177.983 0.400 . 1 . . . . . . . . 7297 1 392 . 1 1 35 35 ARG N N 15 124.265 0.400 . 1 . . . . . . . . 7297 1 393 . 1 1 35 35 ARG H H 1 9.810 0.020 . 1 . . . . . . . . 7297 1 394 . 1 1 35 35 ARG CA C 13 53.440 0.400 . 1 . . . . . . . . 7297 1 395 . 1 1 35 35 ARG HA H 1 5.193 0.020 . 1 . . . . . . . . 7297 1 396 . 1 1 35 35 ARG CB C 13 31.985 0.400 . 1 . . . . . . . . 7297 1 397 . 1 1 35 35 ARG HB2 H 1 1.877 0.400 . 1 . . . . . . . . 7297 1 398 . 1 1 35 35 ARG HB3 H 1 1.877 0.400 . 1 . . . . . . . . 7297 1 399 . 1 1 35 35 ARG CG C 13 27.713 0.400 . 1 . . . . . . . . 7297 1 400 . 1 1 35 35 ARG HG2 H 1 1.857 0.020 . 2 . . . . . . . . 7297 1 401 . 1 1 35 35 ARG HG3 H 1 1.639 0.020 . 2 . . . . . . . . 7297 1 402 . 1 1 35 35 ARG CD C 13 42.878 0.400 . 1 . . . . . . . . 7297 1 403 . 1 1 35 35 ARG HD2 H 1 2.976 0.020 . 2 . . . . . . . . 7297 1 404 . 1 1 35 35 ARG HD3 H 1 3.221 0.020 . 2 . . . . . . . . 7297 1 405 . 1 1 35 35 ARG C C 13 174.018 0.400 . 1 . . . . . . . . 7297 1 406 . 1 1 36 36 ILE N N 15 120.644 0.400 . 1 . . . . . . . . 7297 1 407 . 1 1 36 36 ILE H H 1 8.955 0.020 . 1 . . . . . . . . 7297 1 408 . 1 1 36 36 ILE CA C 13 57.740 0.400 . 1 . . . . . . . . 7297 1 409 . 1 1 36 36 ILE HA H 1 5.282 0.020 . 1 . . . . . . . . 7297 1 410 . 1 1 36 36 ILE CB C 13 41.170 0.400 . 1 . . . . . . . . 7297 1 411 . 1 1 36 36 ILE HB H 1 0.567 0.020 . 1 . . . . . . . . 7297 1 412 . 1 1 36 36 ILE HG21 H 1 0.746 0.400 . 1 . . . . . . . . 7297 1 413 . 1 1 36 36 ILE HG22 H 1 0.746 0.400 . 1 . . . . . . . . 7297 1 414 . 1 1 36 36 ILE HG23 H 1 0.746 0.400 . 1 . . . . . . . . 7297 1 415 . 1 1 36 36 ILE CG2 C 13 17.493 0.400 . 1 . . . . . . . . 7297 1 416 . 1 1 36 36 ILE CG1 C 13 28.470 0.400 . 1 . . . . . . . . 7297 1 417 . 1 1 36 36 ILE HG12 H 1 0.605 0.020 . 2 . . . . . . . . 7297 1 418 . 1 1 36 36 ILE HG13 H 1 1.085 0.020 . 2 . . . . . . . . 7297 1 419 . 1 1 36 36 ILE HD11 H 1 0.183 0.400 . 1 . . . . . . . . 7297 1 420 . 1 1 36 36 ILE HD12 H 1 0.183 0.400 . 1 . . . . . . . . 7297 1 421 . 1 1 36 36 ILE HD13 H 1 0.183 0.400 . 1 . . . . . . . . 7297 1 422 . 1 1 36 36 ILE CD1 C 13 15.260 0.400 . 1 . . . . . . . . 7297 1 423 . 1 1 36 36 ILE C C 13 173.130 0.400 . 1 . . . . . . . . 7297 1 424 . 1 1 37 37 CYS N N 15 129.448 0.400 . 1 . . . . . . . . 7297 1 425 . 1 1 37 37 CYS H H 1 9.182 0.020 . 1 . . . . . . . . 7297 1 426 . 1 1 37 37 CYS CA C 13 60.305 0.400 . 1 . . . . . . . . 7297 1 427 . 1 1 37 37 CYS HA H 1 4.815 0.020 . 1 . . . . . . . . 7297 1 428 . 1 1 37 37 CYS CB C 13 30.485 0.400 . 1 . . . . . . . . 7297 1 429 . 1 1 37 37 CYS HB2 H 1 3.142 0.020 . 2 . . . . . . . . 7297 1 430 . 1 1 37 37 CYS HB3 H 1 3.431 0.020 . 2 . . . . . . . . 7297 1 431 . 1 1 37 37 CYS C C 13 178.052 0.400 . 1 . . . . . . . . 7297 1 432 . 1 1 38 38 ARG N N 15 127.340 0.400 . 1 . . . . . . . . 7297 1 433 . 1 1 38 38 ARG H H 1 8.705 0.020 . 1 . . . . . . . . 7297 1 434 . 1 1 38 38 ARG CA C 13 53.603 0.400 . 1 . . . . . . . . 7297 1 435 . 1 1 38 38 ARG HA H 1 4.624 0.020 . 1 . . . . . . . . 7297 1 436 . 1 1 38 38 ARG CB C 13 26.580 0.400 . 1 . . . . . . . . 7297 1 437 . 1 1 38 38 ARG HB2 H 1 1.719 0.020 . 2 . . . . . . . . 7297 1 438 . 1 1 38 38 ARG HB3 H 1 2.654 0.020 . 2 . . . . . . . . 7297 1 439 . 1 1 38 38 ARG CD C 13 38.283 0.400 . 1 . . . . . . . . 7297 1 440 . 1 1 38 38 ARG HD2 H 1 2.898 0.020 . 2 . . . . . . . . 7297 1 441 . 1 1 38 38 ARG HD3 H 1 4.120 0.020 . 2 . . . . . . . . 7297 1 442 . 1 1 38 38 ARG NE N 15 109.020 0.400 . 1 . . . . . . . . 7297 1 443 . 1 1 38 38 ARG HE H 1 6.814 0.020 . 1 . . . . . . . . 7297 1 444 . 1 1 38 38 ARG C C 13 173.594 0.400 . 1 . . . . . . . . 7297 1 445 . 1 1 39 39 THR N N 15 117.315 0.400 . 1 . . . . . . . . 7297 1 446 . 1 1 39 39 THR H H 1 9.308 0.020 . 1 . . . . . . . . 7297 1 447 . 1 1 39 39 THR CA C 13 66.120 0.400 . 1 . . . . . . . . 7297 1 448 . 1 1 39 39 THR HA H 1 4.355 0.020 . 1 . . . . . . . . 7297 1 449 . 1 1 39 39 THR CB C 13 69.340 0.400 . 1 . . . . . . . . 7297 1 450 . 1 1 39 39 THR HB H 1 3.416 0.020 . 1 . . . . . . . . 7297 1 451 . 1 1 39 39 THR HG21 H 1 0.528 0.400 . 1 . . . . . . . . 7297 1 452 . 1 1 39 39 THR HG22 H 1 0.528 0.400 . 1 . . . . . . . . 7297 1 453 . 1 1 39 39 THR HG23 H 1 0.528 0.400 . 1 . . . . . . . . 7297 1 454 . 1 1 39 39 THR CG2 C 13 19.351 0.400 . 1 . . . . . . . . 7297 1 455 . 1 1 39 39 THR C C 13 174.141 0.400 . 1 . . . . . . . . 7297 1 456 . 1 1 40 40 CYS N N 15 116.106 0.400 . 1 . . . . . . . . 7297 1 457 . 1 1 40 40 CYS H H 1 7.648 0.020 . 1 . . . . . . . . 7297 1 458 . 1 1 40 40 CYS CA C 13 58.303 0.400 . 1 . . . . . . . . 7297 1 459 . 1 1 40 40 CYS HA H 1 5.091 0.020 . 1 . . . . . . . . 7297 1 460 . 1 1 40 40 CYS CB C 13 34.213 0.400 . 1 . . . . . . . . 7297 1 461 . 1 1 40 40 CYS HB2 H 1 3.560 0.020 . 2 . . . . . . . . 7297 1 462 . 1 1 40 40 CYS HB3 H 1 2.716 0.020 . 2 . . . . . . . . 7297 1 463 . 1 1 40 40 CYS C C 13 176.466 0.400 . 1 . . . . . . . . 7297 1 464 . 1 1 41 41 GLY N N 15 114.062 0.400 . 1 . . . . . . . . 7297 1 465 . 1 1 41 41 GLY H H 1 8.134 0.020 . 1 . . . . . . . . 7297 1 466 . 1 1 41 41 GLY CA C 13 45.450 0.400 . 1 . . . . . . . . 7297 1 467 . 1 1 41 41 GLY HA2 H 1 3.357 0.020 . 2 . . . . . . . . 7297 1 468 . 1 1 41 41 GLY HA3 H 1 4.501 0.020 . 2 . . . . . . . . 7297 1 469 . 1 1 41 41 GLY C C 13 172.378 0.400 . 1 . . . . . . . . 7297 1 470 . 1 1 42 42 HIS N N 15 122.692 0.400 . 1 . . . . . . . . 7297 1 471 . 1 1 42 42 HIS H H 1 8.653 0.020 . 1 . . . . . . . . 7297 1 472 . 1 1 42 42 HIS CA C 13 58.630 0.400 . 1 . . . . . . . . 7297 1 473 . 1 1 42 42 HIS HA H 1 4.304 0.020 . 1 . . . . . . . . 7297 1 474 . 1 1 42 42 HIS CB C 13 28.857 0.400 . 1 . . . . . . . . 7297 1 475 . 1 1 42 42 HIS HB2 H 1 1.875 0.020 . 2 . . . . . . . . 7297 1 476 . 1 1 42 42 HIS HB3 H 1 3.176 0.020 . 2 . . . . . . . . 7297 1 477 . 1 1 42 42 HIS C C 13 174.962 0.400 . 1 . . . . . . . . 7297 1 478 . 1 1 43 43 VAL N N 15 132.032 0.400 . 1 . . . . . . . . 7297 1 479 . 1 1 43 43 VAL H H 1 7.419 0.020 . 1 . . . . . . . . 7297 1 480 . 1 1 43 43 VAL CA C 13 61.630 0.400 . 1 . . . . . . . . 7297 1 481 . 1 1 43 43 VAL HA H 1 4.332 0.020 . 1 . . . . . . . . 7297 1 482 . 1 1 43 43 VAL CB C 13 31.430 0.400 . 1 . . . . . . . . 7297 1 483 . 1 1 43 43 VAL HB H 1 2.097 0.020 . 1 . . . . . . . . 7297 1 484 . 1 1 43 43 VAL HG11 H 1 0.845 0.400 . 2 . . . . . . . . 7297 1 485 . 1 1 43 43 VAL HG12 H 1 0.845 0.400 . 2 . . . . . . . . 7297 1 486 . 1 1 43 43 VAL HG13 H 1 0.845 0.400 . 2 . . . . . . . . 7297 1 487 . 1 1 43 43 VAL HG21 H 1 0.459 0.400 . 2 . . . . . . . . 7297 1 488 . 1 1 43 43 VAL HG22 H 1 0.459 0.400 . 2 . . . . . . . . 7297 1 489 . 1 1 43 43 VAL HG23 H 1 0.459 0.400 . 2 . . . . . . . . 7297 1 490 . 1 1 43 43 VAL CG1 C 13 21.938 0.400 . 1 . . . . . . . . 7297 1 491 . 1 1 43 43 VAL CG2 C 13 25.652 0.400 . 1 . . . . . . . . 7297 1 492 . 1 1 43 43 VAL C C 13 173.964 0.400 . 1 . . . . . . . . 7297 1 493 . 1 1 44 44 GLY N N 15 111.865 0.400 . 1 . . . . . . . . 7297 1 494 . 1 1 44 44 GLY H H 1 8.627 0.020 . 1 . . . . . . . . 7297 1 495 . 1 1 44 44 GLY CA C 13 43.560 0.400 . 1 . . . . . . . . 7297 1 496 . 1 1 44 44 GLY HA2 H 1 3.176 0.020 . 2 . . . . . . . . 7297 1 497 . 1 1 44 44 GLY HA3 H 1 5.940 0.020 . 2 . . . . . . . . 7297 1 498 . 1 1 44 44 GLY C C 13 172.145 0.400 . 1 . . . . . . . . 7297 1 499 . 1 1 45 45 CYS N N 15 122.647 0.400 . 1 . . . . . . . . 7297 1 500 . 1 1 45 45 CYS H H 1 9.157 0.020 . 1 . . . . . . . . 7297 1 501 . 1 1 45 45 CYS CA C 13 57.160 0.400 . 1 . . . . . . . . 7297 1 502 . 1 1 45 45 CYS HA H 1 5.449 0.020 . 1 . . . . . . . . 7297 1 503 . 1 1 45 45 CYS CB C 13 31.093 0.400 . 1 . . . . . . . . 7297 1 504 . 1 1 45 45 CYS HB2 H 1 3.067 0.020 . 2 . . . . . . . . 7297 1 505 . 1 1 45 45 CYS HB3 H 1 4.156 0.020 . 2 . . . . . . . . 7297 1 506 . 1 1 45 45 CYS C C 13 175.604 0.400 . 1 . . . . . . . . 7297 1 507 . 1 1 46 46 CYS N N 15 119.912 0.400 . 1 . . . . . . . . 7297 1 508 . 1 1 46 46 CYS H H 1 8.059 0.020 . 1 . . . . . . . . 7297 1 509 . 1 1 46 46 CYS CA C 13 59.965 0.400 . 1 . . . . . . . . 7297 1 510 . 1 1 46 46 CYS HA H 1 4.551 0.020 . 1 . . . . . . . . 7297 1 511 . 1 1 46 46 CYS CB C 13 31.930 0.400 . 1 . . . . . . . . 7297 1 512 . 1 1 46 46 CYS HB2 H 1 3.588 0.020 . 2 . . . . . . . . 7297 1 513 . 1 1 46 46 CYS HB3 H 1 2.605 0.020 . 2 . . . . . . . . 7297 1 514 . 1 1 46 46 CYS C C 13 175.837 0.400 . 1 . . . . . . . . 7297 1 515 . 1 1 47 47 ASP N N 15 114.787 0.400 . 1 . . . . . . . . 7297 1 516 . 1 1 47 47 ASP H H 1 8.006 0.020 . 1 . . . . . . . . 7297 1 517 . 1 1 47 47 ASP CA C 13 56.132 0.400 . 1 . . . . . . . . 7297 1 518 . 1 1 47 47 ASP HA H 1 4.749 0.020 . 1 . . . . . . . . 7297 1 519 . 1 1 47 47 ASP CB C 13 40.348 0.400 . 1 . . . . . . . . 7297 1 520 . 1 1 47 47 ASP HB2 H 1 2.623 0.020 . 2 . . . . . . . . 7297 1 521 . 1 1 47 47 ASP HB3 H 1 2.934 0.020 . 2 . . . . . . . . 7297 1 522 . 1 1 47 47 ASP C C 13 176.725 0.400 . 1 . . . . . . . . 7297 1 523 . 1 1 48 48 ASP N N 15 123.650 0.400 . 1 . . . . . . . . 7297 1 524 . 1 1 48 48 ASP H H 1 9.920 0.020 . 1 . . . . . . . . 7297 1 525 . 1 1 48 48 ASP CA C 13 54.976 0.400 . 1 . . . . . . . . 7297 1 526 . 1 1 48 48 ASP HA H 1 4.908 0.020 . 1 . . . . . . . . 7297 1 527 . 1 1 48 48 ASP CB C 13 41.407 0.400 . 1 . . . . . . . . 7297 1 528 . 1 1 48 48 ASP HB2 H 1 2.740 0.400 . 1 . . . . . . . . 7297 1 529 . 1 1 48 48 ASP HB3 H 1 2.740 0.400 . 1 . . . . . . . . 7297 1 530 . 1 1 48 48 ASP C C 13 174.210 0.400 . 1 . . . . . . . . 7297 1 531 . 1 1 49 49 SER N N 15 122.830 0.400 . 1 . . . . . . . . 7297 1 532 . 1 1 49 49 SER H H 1 7.792 0.020 . 1 . . . . . . . . 7297 1 533 . 1 1 49 49 SER CA C 13 58.430 0.400 . 1 . . . . . . . . 7297 1 534 . 1 1 49 49 SER HA H 1 4.608 0.020 . 1 . . . . . . . . 7297 1 535 . 1 1 49 49 SER CB C 13 63.485 0.400 . 1 . . . . . . . . 7297 1 536 . 1 1 49 49 SER HB2 H 1 4.707 0.020 . 2 . . . . . . . . 7297 1 537 . 1 1 49 49 SER HB3 H 1 4.885 0.020 . 2 . . . . . . . . 7297 1 538 . 1 1 50 50 PRO CD C 13 50.020 0.400 . 1 . . . . . . . . 7297 1 539 . 1 1 50 50 PRO CA C 13 66.209 0.400 . 1 . . . . . . . . 7297 1 540 . 1 1 50 50 PRO HA H 1 4.002 0.020 . 1 . . . . . . . . 7297 1 541 . 1 1 50 50 PRO CB C 13 31.710 0.400 . 1 . . . . . . . . 7297 1 542 . 1 1 50 50 PRO HB2 H 1 1.245 0.020 . 2 . . . . . . . . 7297 1 543 . 1 1 50 50 PRO HB3 H 1 2.002 0.020 . 2 . . . . . . . . 7297 1 544 . 1 1 50 50 PRO CG C 13 27.430 0.400 . 1 . . . . . . . . 7297 1 545 . 1 1 50 50 PRO HG2 H 1 1.916 0.020 . 2 . . . . . . . . 7297 1 546 . 1 1 50 50 PRO HG3 H 1 1.887 0.020 . 2 . . . . . . . . 7297 1 547 . 1 1 50 50 PRO HD2 H 1 3.774 0.020 . 2 . . . . . . . . 7297 1 548 . 1 1 50 50 PRO HD3 H 1 4.034 0.020 . 2 . . . . . . . . 7297 1 549 . 1 1 50 50 PRO C C 13 178.927 0.400 . 1 . . . . . . . . 7297 1 550 . 1 1 51 51 HIS N N 15 110.858 0.400 . 1 . . . . . . . . 7297 1 551 . 1 1 51 51 HIS H H 1 7.902 0.020 . 1 . . . . . . . . 7297 1 552 . 1 1 51 51 HIS CA C 13 57.345 0.400 . 1 . . . . . . . . 7297 1 553 . 1 1 51 51 HIS HA H 1 4.323 0.020 . 1 . . . . . . . . 7297 1 554 . 1 1 51 51 HIS CB C 13 32.193 0.400 . 1 . . . . . . . . 7297 1 555 . 1 1 51 51 HIS HB2 H 1 1.681 0.020 . 2 . . . . . . . . 7297 1 556 . 1 1 51 51 HIS HB3 H 1 2.098 0.020 . 2 . . . . . . . . 7297 1 557 . 1 1 51 51 HIS CE1 C 13 137.700 0.400 . 1 . . . . . . . . 7297 1 558 . 1 1 51 51 HIS HE1 H 1 7.592 0.020 . 1 . . . . . . . . 7297 1 559 . 1 1 51 51 HIS C C 13 175.030 0.400 . 1 . . . . . . . . 7297 1 560 . 1 1 52 52 LYS N N 15 116.390 0.400 . 1 . . . . . . . . 7297 1 561 . 1 1 52 52 LYS H H 1 6.700 0.020 . 1 . . . . . . . . 7297 1 562 . 1 1 52 52 LYS CA C 13 56.950 0.400 . 1 . . . . . . . . 7297 1 563 . 1 1 52 52 LYS HA H 1 4.114 0.020 . 1 . . . . . . . . 7297 1 564 . 1 1 52 52 LYS CB C 13 29.082 0.400 . 1 . . . . . . . . 7297 1 565 . 1 1 52 52 LYS HB2 H 1 2.077 0.020 . 2 . . . . . . . . 7297 1 566 . 1 1 52 52 LYS HB3 H 1 1.935 0.020 . 2 . . . . . . . . 7297 1 567 . 1 1 52 52 LYS CG C 13 25.370 0.400 . 1 . . . . . . . . 7297 1 568 . 1 1 52 52 LYS HG2 H 1 1.232 0.020 . 2 . . . . . . . . 7297 1 569 . 1 1 52 52 LYS HG3 H 1 1.637 0.020 . 2 . . . . . . . . 7297 1 570 . 1 1 52 52 LYS CD C 13 29.750 0.400 . 1 . . . . . . . . 7297 1 571 . 1 1 52 52 LYS HD2 H 1 1.785 0.020 . 2 . . . . . . . . 7297 1 572 . 1 1 52 52 LYS HD3 H 1 1.642 0.020 . 2 . . . . . . . . 7297 1 573 . 1 1 52 52 LYS CE C 13 42.750 0.400 . 1 . . . . . . . . 7297 1 574 . 1 1 52 52 LYS HE2 H 1 3.020 0.020 . 2 . . . . . . . . 7297 1 575 . 1 1 52 52 LYS HE3 H 1 3.138 0.020 . 2 . . . . . . . . 7297 1 576 . 1 1 52 52 LYS C C 13 176.739 0.400 . 1 . . . . . . . . 7297 1 577 . 1 1 53 53 HIS N N 15 118.419 0.400 . 1 . . . . . . . . 7297 1 578 . 1 1 53 53 HIS H H 1 9.722 0.020 . 1 . . . . . . . . 7297 1 579 . 1 1 53 53 HIS CA C 13 62.788 0.400 . 1 . . . . . . . . 7297 1 580 . 1 1 53 53 HIS HA H 1 4.331 0.020 . 1 . . . . . . . . 7297 1 581 . 1 1 53 53 HIS CB C 13 30.672 0.400 . 1 . . . . . . . . 7297 1 582 . 1 1 53 53 HIS HB2 H 1 3.572 0.020 . 2 . . . . . . . . 7297 1 583 . 1 1 53 53 HIS HB3 H 1 3.920 0.020 . 2 . . . . . . . . 7297 1 584 . 1 1 53 53 HIS CD2 C 13 118.300 0.400 . 1 . . . . . . . . 7297 1 585 . 1 1 53 53 HIS HD2 H 1 7.151 0.020 . 1 . . . . . . . . 7297 1 586 . 1 1 53 53 HIS C C 13 180.116 0.400 . 1 . . . . . . . . 7297 1 587 . 1 1 54 54 ALA N N 15 126.260 0.400 . 1 . . . . . . . . 7297 1 588 . 1 1 54 54 ALA H H 1 9.541 0.020 . 1 . . . . . . . . 7297 1 589 . 1 1 54 54 ALA CA C 13 56.551 0.400 . 1 . . . . . . . . 7297 1 590 . 1 1 54 54 ALA HA H 1 4.483 0.020 . 1 . . . . . . . . 7297 1 591 . 1 1 54 54 ALA HB1 H 1 1.582 0.400 . 1 . . . . . . . . 7297 1 592 . 1 1 54 54 ALA HB2 H 1 1.582 0.400 . 1 . . . . . . . . 7297 1 593 . 1 1 54 54 ALA HB3 H 1 1.582 0.400 . 1 . . . . . . . . 7297 1 594 . 1 1 54 54 ALA CB C 13 17.617 0.400 . 1 . . . . . . . . 7297 1 595 . 1 1 54 54 ALA C C 13 180.813 0.400 . 1 . . . . . . . . 7297 1 596 . 1 1 55 55 THR N N 15 123.674 0.400 . 1 . . . . . . . . 7297 1 597 . 1 1 55 55 THR H H 1 9.617 0.020 . 1 . . . . . . . . 7297 1 598 . 1 1 55 55 THR CA C 13 67.570 0.400 . 1 . . . . . . . . 7297 1 599 . 1 1 55 55 THR HA H 1 4.262 0.020 . 1 . . . . . . . . 7297 1 600 . 1 1 55 55 THR CB C 13 66.853 0.400 . 1 . . . . . . . . 7297 1 601 . 1 1 55 55 THR HB H 1 3.795 0.020 . 1 . . . . . . . . 7297 1 602 . 1 1 55 55 THR HG21 H 1 1.316 0.400 . 1 . . . . . . . . 7297 1 603 . 1 1 55 55 THR HG22 H 1 1.316 0.400 . 1 . . . . . . . . 7297 1 604 . 1 1 55 55 THR HG23 H 1 1.316 0.400 . 1 . . . . . . . . 7297 1 605 . 1 1 55 55 THR CG2 C 13 23.720 0.400 . 1 . . . . . . . . 7297 1 606 . 1 1 55 55 THR C C 13 176.657 0.400 . 1 . . . . . . . . 7297 1 607 . 1 1 56 56 ARG N N 15 120.482 0.400 . 1 . . . . . . . . 7297 1 608 . 1 1 56 56 ARG H H 1 8.229 0.020 . 1 . . . . . . . . 7297 1 609 . 1 1 56 56 ARG CA C 13 59.931 0.400 . 1 . . . . . . . . 7297 1 610 . 1 1 56 56 ARG HA H 1 4.087 0.020 . 1 . . . . . . . . 7297 1 611 . 1 1 56 56 ARG CB C 13 30.002 0.400 . 1 . . . . . . . . 7297 1 612 . 1 1 56 56 ARG HB2 H 1 1.992 0.020 . 2 . . . . . . . . 7297 1 613 . 1 1 56 56 ARG HB3 H 1 2.101 0.020 . 2 . . . . . . . . 7297 1 614 . 1 1 56 56 ARG CG C 13 27.270 0.400 . 1 . . . . . . . . 7297 1 615 . 1 1 56 56 ARG HG2 H 1 1.965 0.020 . 2 . . . . . . . . 7297 1 616 . 1 1 56 56 ARG HG3 H 1 1.854 0.020 . 2 . . . . . . . . 7297 1 617 . 1 1 56 56 ARG CD C 13 43.870 0.400 . 1 . . . . . . . . 7297 1 618 . 1 1 56 56 ARG HD2 H 1 3.272 0.400 . 1 . . . . . . . . 7297 1 619 . 1 1 56 56 ARG HD3 H 1 3.272 0.400 . 1 . . . . . . . . 7297 1 620 . 1 1 56 56 ARG C C 13 178.872 0.400 . 1 . . . . . . . . 7297 1 621 . 1 1 57 57 HIS N N 15 119.206 0.400 . 1 . . . . . . . . 7297 1 622 . 1 1 57 57 HIS H H 1 8.228 0.020 . 1 . . . . . . . . 7297 1 623 . 1 1 57 57 HIS CA C 13 59.713 0.400 . 1 . . . . . . . . 7297 1 624 . 1 1 57 57 HIS HA H 1 4.201 0.020 . 1 . . . . . . . . 7297 1 625 . 1 1 57 57 HIS CB C 13 27.395 0.400 . 1 . . . . . . . . 7297 1 626 . 1 1 57 57 HIS HB2 H 1 2.702 0.020 . 2 . . . . . . . . 7297 1 627 . 1 1 57 57 HIS HB3 H 1 3.719 0.020 . 2 . . . . . . . . 7297 1 628 . 1 1 57 57 HIS CE1 C 13 141.000 0.400 . 1 . . . . . . . . 7297 1 629 . 1 1 57 57 HIS HE1 H 1 7.997 0.020 . 1 . . . . . . . . 7297 1 630 . 1 1 57 57 HIS C C 13 178.749 0.400 . 1 . . . . . . . . 7297 1 631 . 1 1 58 58 PHE N N 15 123.943 0.400 . 1 . . . . . . . . 7297 1 632 . 1 1 58 58 PHE H H 1 7.735 0.020 . 1 . . . . . . . . 7297 1 633 . 1 1 58 58 PHE CA C 13 60.851 0.400 . 1 . . . . . . . . 7297 1 634 . 1 1 58 58 PHE HA H 1 4.106 0.020 . 1 . . . . . . . . 7297 1 635 . 1 1 58 58 PHE CB C 13 37.375 0.400 . 1 . . . . . . . . 7297 1 636 . 1 1 58 58 PHE HB2 H 1 2.770 0.020 . 2 . . . . . . . . 7297 1 637 . 1 1 58 58 PHE HB3 H 1 2.438 0.020 . 2 . . . . . . . . 7297 1 638 . 1 1 58 58 PHE CD1 C 13 132.600 0.400 . 1 . . . . . . . . 7297 1 639 . 1 1 58 58 PHE HD1 H 1 7.353 0.020 . 1 . . . . . . . . 7297 1 640 . 1 1 58 58 PHE CE1 C 13 132.800 0.400 . 1 . . . . . . . . 7297 1 641 . 1 1 58 58 PHE HE1 H 1 6.057 0.020 . 1 . . . . . . . . 7297 1 642 . 1 1 58 58 PHE CE2 C 13 132.800 0.400 . 1 . . . . . . . . 7297 1 643 . 1 1 58 58 PHE HE2 H 1 6.057 0.020 . 1 . . . . . . . . 7297 1 644 . 1 1 58 58 PHE CD2 C 13 132.600 0.400 . 1 . . . . . . . . 7297 1 645 . 1 1 58 58 PHE HD2 H 1 7.353 0.020 . 1 . . . . . . . . 7297 1 646 . 1 1 58 58 PHE C C 13 178.134 0.400 . 1 . . . . . . . . 7297 1 647 . 1 1 59 59 HIS N N 15 120.259 0.400 . 1 . . . . . . . . 7297 1 648 . 1 1 59 59 HIS H H 1 7.938 0.020 . 1 . . . . . . . . 7297 1 649 . 1 1 59 59 HIS CA C 13 59.210 0.400 . 1 . . . . . . . . 7297 1 650 . 1 1 59 59 HIS HA H 1 3.623 0.020 . 1 . . . . . . . . 7297 1 651 . 1 1 59 59 HIS CB C 13 30.110 0.400 . 1 . . . . . . . . 7297 1 652 . 1 1 59 59 HIS HB2 H 1 2.971 0.400 . 1 . . . . . . . . 7297 1 653 . 1 1 59 59 HIS HB3 H 1 2.971 0.400 . 1 . . . . . . . . 7297 1 654 . 1 1 59 59 HIS C C 13 176.930 0.400 . 1 . . . . . . . . 7297 1 655 . 1 1 60 60 ALA N N 15 118.185 0.400 . 1 . . . . . . . . 7297 1 656 . 1 1 60 60 ALA H H 1 7.846 0.020 . 1 . . . . . . . . 7297 1 657 . 1 1 60 60 ALA CA C 13 54.150 0.400 . 1 . . . . . . . . 7297 1 658 . 1 1 60 60 ALA HA H 1 4.132 0.020 . 1 . . . . . . . . 7297 1 659 . 1 1 60 60 ALA HB1 H 1 1.346 0.400 . 1 . . . . . . . . 7297 1 660 . 1 1 60 60 ALA HB2 H 1 1.346 0.400 . 1 . . . . . . . . 7297 1 661 . 1 1 60 60 ALA HB3 H 1 1.346 0.400 . 1 . . . . . . . . 7297 1 662 . 1 1 60 60 ALA CB C 13 19.660 0.400 . 1 . . . . . . . . 7297 1 663 . 1 1 60 60 ALA C C 13 179.118 0.400 . 1 . . . . . . . . 7297 1 664 . 1 1 61 61 THR N N 15 103.864 0.400 . 1 . . . . . . . . 7297 1 665 . 1 1 61 61 THR H H 1 7.257 0.020 . 1 . . . . . . . . 7297 1 666 . 1 1 61 61 THR CA C 13 62.020 0.400 . 1 . . . . . . . . 7297 1 667 . 1 1 61 61 THR HA H 1 4.142 0.020 . 1 . . . . . . . . 7297 1 668 . 1 1 61 61 THR CB C 13 71.932 0.400 . 1 . . . . . . . . 7297 1 669 . 1 1 61 61 THR HB H 1 2.538 0.020 . 1 . . . . . . . . 7297 1 670 . 1 1 61 61 THR HG21 H 1 0.521 0.400 . 1 . . . . . . . . 7297 1 671 . 1 1 61 61 THR HG22 H 1 0.521 0.400 . 1 . . . . . . . . 7297 1 672 . 1 1 61 61 THR HG23 H 1 0.521 0.400 . 1 . . . . . . . . 7297 1 673 . 1 1 61 61 THR CG2 C 13 20.635 0.400 . 1 . . . . . . . . 7297 1 674 . 1 1 61 61 THR C C 13 175.809 0.400 . 1 . . . . . . . . 7297 1 675 . 1 1 62 62 GLY N N 15 112.485 0.400 . 1 . . . . . . . . 7297 1 676 . 1 1 62 62 GLY H H 1 8.440 0.020 . 1 . . . . . . . . 7297 1 677 . 1 1 62 62 GLY CA C 13 45.050 0.400 . 1 . . . . . . . . 7297 1 678 . 1 1 62 62 GLY HA2 H 1 4.018 0.020 . 2 . . . . . . . . 7297 1 679 . 1 1 62 62 GLY HA3 H 1 3.276 0.020 . 2 . . . . . . . . 7297 1 680 . 1 1 62 62 GLY C C 13 174.196 0.400 . 1 . . . . . . . . 7297 1 681 . 1 1 63 63 HIS N N 15 122.627 0.400 . 1 . . . . . . . . 7297 1 682 . 1 1 63 63 HIS H H 1 7.926 0.020 . 1 . . . . . . . . 7297 1 683 . 1 1 63 63 HIS CA C 13 51.782 0.400 . 1 . . . . . . . . 7297 1 684 . 1 1 63 63 HIS HA H 1 4.944 0.020 . 1 . . . . . . . . 7297 1 685 . 1 1 63 63 HIS CB C 13 32.320 0.400 . 1 . . . . . . . . 7297 1 686 . 1 1 63 63 HIS HB2 H 1 3.251 0.400 . 1 . . . . . . . . 7297 1 687 . 1 1 63 63 HIS HB3 H 1 3.251 0.400 . 1 . . . . . . . . 7297 1 688 . 1 1 63 63 HIS CD2 C 13 117.300 0.400 . 1 . . . . . . . . 7297 1 689 . 1 1 63 63 HIS CE1 C 13 139.900 0.400 . 1 . . . . . . . . 7297 1 690 . 1 1 63 63 HIS HD2 H 1 7.047 0.020 . 1 . . . . . . . . 7297 1 691 . 1 1 63 63 HIS HE1 H 1 8.201 0.020 . 1 . . . . . . . . 7297 1 692 . 1 1 64 64 PRO CD C 13 50.860 0.400 . 1 . . . . . . . . 7297 1 693 . 1 1 64 64 PRO CA C 13 66.930 0.400 . 1 . . . . . . . . 7297 1 694 . 1 1 64 64 PRO HA H 1 4.627 0.020 . 1 . . . . . . . . 7297 1 695 . 1 1 64 64 PRO CB C 13 32.230 0.400 . 1 . . . . . . . . 7297 1 696 . 1 1 64 64 PRO HB2 H 1 1.812 0.020 . 2 . . . . . . . . 7297 1 697 . 1 1 64 64 PRO HB3 H 1 2.234 0.020 . 2 . . . . . . . . 7297 1 698 . 1 1 64 64 PRO CG C 13 27.360 0.400 . 1 . . . . . . . . 7297 1 699 . 1 1 64 64 PRO HG2 H 1 2.065 0.400 . 1 . . . . . . . . 7297 1 700 . 1 1 64 64 PRO HG3 H 1 2.065 0.400 . 1 . . . . . . . . 7297 1 701 . 1 1 64 64 PRO HD2 H 1 3.730 0.020 . 2 . . . . . . . . 7297 1 702 . 1 1 64 64 PRO HD3 H 1 4.407 0.020 . 2 . . . . . . . . 7297 1 703 . 1 1 64 64 PRO C C 13 175.044 0.400 . 1 . . . . . . . . 7297 1 704 . 1 1 65 65 ILE N N 15 117.115 0.400 . 1 . . . . . . . . 7297 1 705 . 1 1 65 65 ILE H H 1 8.594 0.020 . 1 . . . . . . . . 7297 1 706 . 1 1 65 65 ILE CA C 13 59.357 0.400 . 1 . . . . . . . . 7297 1 707 . 1 1 65 65 ILE HA H 1 5.742 0.020 . 1 . . . . . . . . 7297 1 708 . 1 1 65 65 ILE CB C 13 40.340 0.400 . 1 . . . . . . . . 7297 1 709 . 1 1 65 65 ILE HB H 1 1.824 0.020 . 1 . . . . . . . . 7297 1 710 . 1 1 65 65 ILE HG21 H 1 0.988 0.400 . 1 . . . . . . . . 7297 1 711 . 1 1 65 65 ILE HG22 H 1 0.988 0.400 . 1 . . . . . . . . 7297 1 712 . 1 1 65 65 ILE HG23 H 1 0.988 0.400 . 1 . . . . . . . . 7297 1 713 . 1 1 65 65 ILE CG2 C 13 18.270 0.400 . 1 . . . . . . . . 7297 1 714 . 1 1 65 65 ILE CG1 C 13 28.320 0.400 . 1 . . . . . . . . 7297 1 715 . 1 1 65 65 ILE HG12 H 1 1.220 0.020 . 2 . . . . . . . . 7297 1 716 . 1 1 65 65 ILE HG13 H 1 1.636 0.020 . 2 . . . . . . . . 7297 1 717 . 1 1 65 65 ILE HD11 H 1 0.807 0.400 . 1 . . . . . . . . 7297 1 718 . 1 1 65 65 ILE HD12 H 1 0.807 0.400 . 1 . . . . . . . . 7297 1 719 . 1 1 65 65 ILE HD13 H 1 0.807 0.400 . 1 . . . . . . . . 7297 1 720 . 1 1 65 65 ILE CD1 C 13 14.320 0.400 . 1 . . . . . . . . 7297 1 721 . 1 1 65 65 ILE C C 13 177.327 0.400 . 1 . . . . . . . . 7297 1 722 . 1 1 66 66 ILE N N 15 120.362 0.400 . 1 . . . . . . . . 7297 1 723 . 1 1 66 66 ILE H H 1 8.812 0.020 . 1 . . . . . . . . 7297 1 724 . 1 1 66 66 ILE CA C 13 57.918 0.400 . 1 . . . . . . . . 7297 1 725 . 1 1 66 66 ILE HA H 1 5.448 0.020 . 1 . . . . . . . . 7297 1 726 . 1 1 66 66 ILE CB C 13 44.393 0.400 . 1 . . . . . . . . 7297 1 727 . 1 1 66 66 ILE HB H 1 1.657 0.020 . 1 . . . . . . . . 7297 1 728 . 1 1 66 66 ILE HG21 H 1 1.367 0.400 . 1 . . . . . . . . 7297 1 729 . 1 1 66 66 ILE HG22 H 1 1.367 0.400 . 1 . . . . . . . . 7297 1 730 . 1 1 66 66 ILE HG23 H 1 1.367 0.400 . 1 . . . . . . . . 7297 1 731 . 1 1 66 66 ILE CG2 C 13 21.005 0.400 . 1 . . . . . . . . 7297 1 732 . 1 1 66 66 ILE CG1 C 13 26.420 0.400 . 1 . . . . . . . . 7297 1 733 . 1 1 66 66 ILE HG12 H 1 1.282 0.020 . 2 . . . . . . . . 7297 1 734 . 1 1 66 66 ILE HG13 H 1 1.937 0.020 . 2 . . . . . . . . 7297 1 735 . 1 1 66 66 ILE HD11 H 1 0.945 0.400 . 1 . . . . . . . . 7297 1 736 . 1 1 66 66 ILE HD12 H 1 0.945 0.400 . 1 . . . . . . . . 7297 1 737 . 1 1 66 66 ILE HD13 H 1 0.945 0.400 . 1 . . . . . . . . 7297 1 738 . 1 1 66 66 ILE CD1 C 13 15.190 0.400 . 1 . . . . . . . . 7297 1 739 . 1 1 66 66 ILE C C 13 173.540 0.400 . 1 . . . . . . . . 7297 1 740 . 1 1 67 67 GLU N N 15 121.263 0.400 . 1 . . . . . . . . 7297 1 741 . 1 1 67 67 GLU H H 1 8.675 0.020 . 1 . . . . . . . . 7297 1 742 . 1 1 67 67 GLU CA C 13 51.756 0.400 . 1 . . . . . . . . 7297 1 743 . 1 1 67 67 GLU HA H 1 5.261 0.020 . 1 . . . . . . . . 7297 1 744 . 1 1 67 67 GLU CB C 13 34.107 0.400 . 1 . . . . . . . . 7297 1 745 . 1 1 67 67 GLU HB2 H 1 1.606 0.020 . 2 . . . . . . . . 7297 1 746 . 1 1 67 67 GLU HB3 H 1 2.035 0.020 . 2 . . . . . . . . 7297 1 747 . 1 1 67 67 GLU CG C 13 33.884 0.400 . 1 . . . . . . . . 7297 1 748 . 1 1 67 67 GLU HG2 H 1 1.600 0.020 . 2 . . . . . . . . 7297 1 749 . 1 1 67 67 GLU HG3 H 1 1.730 0.020 . 2 . . . . . . . . 7297 1 750 . 1 1 67 67 GLU C C 13 177.190 0.400 . 1 . . . . . . . . 7297 1 751 . 1 1 68 68 GLY N N 15 113.770 0.400 . 1 . . . . . . . . 7297 1 752 . 1 1 68 68 GLY H H 1 7.684 0.020 . 1 . . . . . . . . 7297 1 753 . 1 1 68 68 GLY CA C 13 48.750 0.400 . 1 . . . . . . . . 7297 1 754 . 1 1 68 68 GLY HA2 H 1 1.775 0.020 . 2 . . . . . . . . 7297 1 755 . 1 1 68 68 GLY HA3 H 1 3.301 0.020 . 2 . . . . . . . . 7297 1 756 . 1 1 68 68 GLY C C 13 171.503 0.400 . 1 . . . . . . . . 7297 1 757 . 1 1 69 69 TYR N N 15 132.596 0.400 . 1 . . . . . . . . 7297 1 758 . 1 1 69 69 TYR H H 1 7.604 0.020 . 1 . . . . . . . . 7297 1 759 . 1 1 69 69 TYR CA C 13 59.663 0.400 . 1 . . . . . . . . 7297 1 760 . 1 1 69 69 TYR HA H 1 4.516 0.020 . 1 . . . . . . . . 7297 1 761 . 1 1 69 69 TYR CB C 13 42.950 0.400 . 1 . . . . . . . . 7297 1 762 . 1 1 69 69 TYR HB2 H 1 2.166 0.020 . 2 . . . . . . . . 7297 1 763 . 1 1 69 69 TYR HB3 H 1 2.936 0.020 . 2 . . . . . . . . 7297 1 764 . 1 1 69 69 TYR C C 13 174.032 0.400 . 1 . . . . . . . . 7297 1 765 . 1 1 70 70 ASP N N 15 117.744 0.400 . 1 . . . . . . . . 7297 1 766 . 1 1 70 70 ASP H H 1 7.515 0.020 . 1 . . . . . . . . 7297 1 767 . 1 1 70 70 ASP CA C 13 53.172 0.400 . 1 . . . . . . . . 7297 1 768 . 1 1 70 70 ASP HA H 1 4.937 0.020 . 1 . . . . . . . . 7297 1 769 . 1 1 70 70 ASP CB C 13 46.613 0.400 . 1 . . . . . . . . 7297 1 770 . 1 1 70 70 ASP HB2 H 1 1.841 0.020 . 2 . . . . . . . . 7297 1 771 . 1 1 70 70 ASP HB3 H 1 2.678 0.020 . 2 . . . . . . . . 7297 1 772 . 1 1 71 71 PRO CD C 13 49.212 0.400 . 1 . . . . . . . . 7297 1 773 . 1 1 71 71 PRO CA C 13 62.061 0.400 . 1 . . . . . . . . 7297 1 774 . 1 1 71 71 PRO HA H 1 5.039 0.020 . 1 . . . . . . . . 7297 1 775 . 1 1 71 71 PRO CB C 13 32.358 0.400 . 1 . . . . . . . . 7297 1 776 . 1 1 71 71 PRO HB2 H 1 1.862 0.020 . 2 . . . . . . . . 7297 1 777 . 1 1 71 71 PRO HB3 H 1 2.381 0.020 . 2 . . . . . . . . 7297 1 778 . 1 1 71 71 PRO CG C 13 25.660 0.400 . 1 . . . . . . . . 7297 1 779 . 1 1 71 71 PRO HG2 H 1 1.621 0.020 . 2 . . . . . . . . 7297 1 780 . 1 1 71 71 PRO HG3 H 1 1.675 0.020 . 2 . . . . . . . . 7297 1 781 . 1 1 71 71 PRO HD2 H 1 3.053 0.020 . 2 . . . . . . . . 7297 1 782 . 1 1 71 71 PRO HD3 H 1 2.996 0.020 . 2 . . . . . . . . 7297 1 783 . 1 1 72 72 PRO CD C 13 49.995 0.400 . 1 . . . . . . . . 7297 1 784 . 1 1 72 72 PRO CA C 13 62.990 0.400 . 1 . . . . . . . . 7297 1 785 . 1 1 72 72 PRO HA H 1 4.489 0.020 . 1 . . . . . . . . 7297 1 786 . 1 1 72 72 PRO CB C 13 28.910 0.400 . 1 . . . . . . . . 7297 1 787 . 1 1 72 72 PRO HB2 H 1 1.705 0.020 . 2 . . . . . . . . 7297 1 788 . 1 1 72 72 PRO HB3 H 1 1.976 0.020 . 2 . . . . . . . . 7297 1 789 . 1 1 72 72 PRO CG C 13 27.564 0.400 . 1 . . . . . . . . 7297 1 790 . 1 1 72 72 PRO HG2 H 1 1.776 0.400 . 1 . . . . . . . . 7297 1 791 . 1 1 72 72 PRO HG3 H 1 1.776 0.400 . 1 . . . . . . . . 7297 1 792 . 1 1 72 72 PRO HD2 H 1 3.583 0.400 . 1 . . . . . . . . 7297 1 793 . 1 1 72 72 PRO HD3 H 1 3.583 0.400 . 1 . . . . . . . . 7297 1 794 . 1 1 72 72 PRO C C 13 175.905 0.400 . 1 . . . . . . . . 7297 1 795 . 1 1 73 73 GLU N N 15 125.157 0.400 . 1 . . . . . . . . 7297 1 796 . 1 1 73 73 GLU H H 1 7.657 0.020 . 1 . . . . . . . . 7297 1 797 . 1 1 73 73 GLU CA C 13 56.961 0.400 . 1 . . . . . . . . 7297 1 798 . 1 1 73 73 GLU HA H 1 4.271 0.020 . 1 . . . . . . . . 7297 1 799 . 1 1 73 73 GLU CB C 13 33.565 0.400 . 1 . . . . . . . . 7297 1 800 . 1 1 73 73 GLU HB2 H 1 1.742 0.020 . 2 . . . . . . . . 7297 1 801 . 1 1 73 73 GLU HB3 H 1 2.465 0.020 . 2 . . . . . . . . 7297 1 802 . 1 1 73 73 GLU CG C 13 38.200 0.400 . 1 . . . . . . . . 7297 1 803 . 1 1 73 73 GLU HG2 H 1 2.095 0.020 . 2 . . . . . . . . 7297 1 804 . 1 1 73 73 GLU HG3 H 1 2.185 0.020 . 2 . . . . . . . . 7297 1 805 . 1 1 73 73 GLU C C 13 179.036 0.400 . 1 . . . . . . . . 7297 1 806 . 1 1 74 74 GLY N N 15 104.615 0.400 . 1 . . . . . . . . 7297 1 807 . 1 1 74 74 GLY H H 1 8.095 0.020 . 1 . . . . . . . . 7297 1 808 . 1 1 74 74 GLY CA C 13 47.113 0.400 . 1 . . . . . . . . 7297 1 809 . 1 1 74 74 GLY HA2 H 1 3.519 0.020 . 2 . . . . . . . . 7297 1 810 . 1 1 74 74 GLY HA3 H 1 4.003 0.020 . 2 . . . . . . . . 7297 1 811 . 1 1 74 74 GLY C C 13 171.421 0.400 . 1 . . . . . . . . 7297 1 812 . 1 1 75 75 TRP N N 15 111.923 0.400 . 1 . . . . . . . . 7297 1 813 . 1 1 75 75 TRP H H 1 6.483 0.020 . 1 . . . . . . . . 7297 1 814 . 1 1 75 75 TRP CA C 13 52.661 0.400 . 1 . . . . . . . . 7297 1 815 . 1 1 75 75 TRP HA H 1 5.254 0.020 . 1 . . . . . . . . 7297 1 816 . 1 1 75 75 TRP CB C 13 32.453 0.400 . 1 . . . . . . . . 7297 1 817 . 1 1 75 75 TRP HB2 H 1 3.256 0.020 . 2 . . . . . . . . 7297 1 818 . 1 1 75 75 TRP HB3 H 1 3.546 0.020 . 2 . . . . . . . . 7297 1 819 . 1 1 75 75 TRP CD1 C 13 129.200 0.400 . 1 . . . . . . . . 7297 1 820 . 1 1 75 75 TRP CE3 C 13 122.200 0.400 . 1 . . . . . . . . 7297 1 821 . 1 1 75 75 TRP NE1 N 15 130.508 0.400 . 1 . . . . . . . . 7297 1 822 . 1 1 75 75 TRP HD1 H 1 7.120 0.020 . 1 . . . . . . . . 7297 1 823 . 1 1 75 75 TRP HE3 H 1 7.021 0.020 . 1 . . . . . . . . 7297 1 824 . 1 1 75 75 TRP CZ3 C 13 120.800 0.400 . 1 . . . . . . . . 7297 1 825 . 1 1 75 75 TRP CZ2 C 13 114.800 0.400 . 1 . . . . . . . . 7297 1 826 . 1 1 75 75 TRP HE1 H 1 10.480 0.020 . 1 . . . . . . . . 7297 1 827 . 1 1 75 75 TRP HZ3 H 1 6.581 0.020 . 1 . . . . . . . . 7297 1 828 . 1 1 75 75 TRP CH2 C 13 122.900 0.400 . 1 . . . . . . . . 7297 1 829 . 1 1 75 75 TRP HZ2 H 1 7.302 0.020 . 1 . . . . . . . . 7297 1 830 . 1 1 75 75 TRP HH2 H 1 6.677 0.020 . 1 . . . . . . . . 7297 1 831 . 1 1 75 75 TRP C C 13 175.030 0.400 . 1 . . . . . . . . 7297 1 832 . 1 1 76 76 GLY N N 15 107.171 0.400 . 1 . . . . . . . . 7297 1 833 . 1 1 76 76 GLY H H 1 9.217 0.020 . 1 . . . . . . . . 7297 1 834 . 1 1 76 76 GLY CA C 13 43.760 0.400 . 1 . . . . . . . . 7297 1 835 . 1 1 76 76 GLY HA2 H 1 2.852 0.020 . 2 . . . . . . . . 7297 1 836 . 1 1 76 76 GLY HA3 H 1 5.394 0.020 . 2 . . . . . . . . 7297 1 837 . 1 1 76 76 GLY C C 13 170.860 0.400 . 1 . . . . . . . . 7297 1 838 . 1 1 77 77 TRP N N 15 121.234 0.400 . 1 . . . . . . . . 7297 1 839 . 1 1 77 77 TRP H H 1 9.012 0.020 . 1 . . . . . . . . 7297 1 840 . 1 1 77 77 TRP CA C 13 55.003 0.400 . 1 . . . . . . . . 7297 1 841 . 1 1 77 77 TRP HA H 1 5.503 0.020 . 1 . . . . . . . . 7297 1 842 . 1 1 77 77 TRP CB C 13 34.340 0.400 . 1 . . . . . . . . 7297 1 843 . 1 1 77 77 TRP HB2 H 1 2.799 0.020 . 2 . . . . . . . . 7297 1 844 . 1 1 77 77 TRP HB3 H 1 3.121 0.020 . 2 . . . . . . . . 7297 1 845 . 1 1 77 77 TRP CD1 C 13 125.700 0.400 . 1 . . . . . . . . 7297 1 846 . 1 1 77 77 TRP CE3 C 13 120.800 0.400 . 1 . . . . . . . . 7297 1 847 . 1 1 77 77 TRP NE1 N 15 128.258 0.400 . 1 . . . . . . . . 7297 1 848 . 1 1 77 77 TRP HD1 H 1 5.571 0.020 . 1 . . . . . . . . 7297 1 849 . 1 1 77 77 TRP HE3 H 1 7.053 0.020 . 1 . . . . . . . . 7297 1 850 . 1 1 77 77 TRP CZ3 C 13 120.800 0.400 . 1 . . . . . . . . 7297 1 851 . 1 1 77 77 TRP CZ2 C 13 113.600 0.400 . 1 . . . . . . . . 7297 1 852 . 1 1 77 77 TRP HE1 H 1 9.050 0.020 . 1 . . . . . . . . 7297 1 853 . 1 1 77 77 TRP HZ3 H 1 6.701 0.020 . 1 . . . . . . . . 7297 1 854 . 1 1 77 77 TRP CH2 C 13 124.400 0.400 . 1 . . . . . . . . 7297 1 855 . 1 1 77 77 TRP HZ2 H 1 7.288 0.020 . 1 . . . . . . . . 7297 1 856 . 1 1 77 77 TRP HH2 H 1 6.973 0.020 . 1 . . . . . . . . 7297 1 857 . 1 1 77 77 TRP C C 13 173.540 0.400 . 1 . . . . . . . . 7297 1 858 . 1 1 78 78 CYS N N 15 125.578 0.400 . 1 . . . . . . . . 7297 1 859 . 1 1 78 78 CYS H H 1 7.449 0.020 . 1 . . . . . . . . 7297 1 860 . 1 1 78 78 CYS CA C 13 56.164 0.400 . 1 . . . . . . . . 7297 1 861 . 1 1 78 78 CYS HA H 1 5.084 0.020 . 1 . . . . . . . . 7297 1 862 . 1 1 78 78 CYS CB C 13 31.950 0.400 . 1 . . . . . . . . 7297 1 863 . 1 1 78 78 CYS HB2 H 1 2.623 0.020 . 2 . . . . . . . . 7297 1 864 . 1 1 78 78 CYS HB3 H 1 2.849 0.020 . 2 . . . . . . . . 7297 1 865 . 1 1 78 78 CYS C C 13 176.425 0.400 . 1 . . . . . . . . 7297 1 866 . 1 1 79 79 TYR N N 15 126.324 0.400 . 1 . . . . . . . . 7297 1 867 . 1 1 79 79 TYR H H 1 9.494 0.020 . 1 . . . . . . . . 7297 1 868 . 1 1 79 79 TYR CA C 13 61.615 0.400 . 1 . . . . . . . . 7297 1 869 . 1 1 79 79 TYR HA H 1 3.801 0.020 . 1 . . . . . . . . 7297 1 870 . 1 1 79 79 TYR CB C 13 38.193 0.400 . 1 . . . . . . . . 7297 1 871 . 1 1 79 79 TYR HB2 H 1 1.535 0.020 . 2 . . . . . . . . 7297 1 872 . 1 1 79 79 TYR HB3 H 1 1.603 0.020 . 2 . . . . . . . . 7297 1 873 . 1 1 79 79 TYR CD1 C 13 132.800 0.400 . 1 . . . . . . . . 7297 1 874 . 1 1 79 79 TYR HD1 H 1 7.118 0.020 . 1 . . . . . . . . 7297 1 875 . 1 1 79 79 TYR CE1 C 13 119.200 0.400 . 1 . . . . . . . . 7297 1 876 . 1 1 79 79 TYR HE1 H 1 7.043 0.020 . 1 . . . . . . . . 7297 1 877 . 1 1 79 79 TYR CE2 C 13 119.200 0.400 . 1 . . . . . . . . 7297 1 878 . 1 1 79 79 TYR HE2 H 1 7.043 0.020 . 1 . . . . . . . . 7297 1 879 . 1 1 79 79 TYR CD2 C 13 132.800 0.400 . 1 . . . . . . . . 7297 1 880 . 1 1 79 79 TYR HD2 H 1 7.118 0.020 . 1 . . . . . . . . 7297 1 881 . 1 1 79 79 TYR C C 13 177.272 0.400 . 1 . . . . . . . . 7297 1 882 . 1 1 80 80 VAL N N 15 119.959 0.400 . 1 . . . . . . . . 7297 1 883 . 1 1 80 80 VAL H H 1 8.097 0.020 . 1 . . . . . . . . 7297 1 884 . 1 1 80 80 VAL CA C 13 65.432 0.400 . 1 . . . . . . . . 7297 1 885 . 1 1 80 80 VAL HA H 1 3.735 0.020 . 1 . . . . . . . . 7297 1 886 . 1 1 80 80 VAL CB C 13 33.453 0.400 . 1 . . . . . . . . 7297 1 887 . 1 1 80 80 VAL HB H 1 1.592 0.020 . 1 . . . . . . . . 7297 1 888 . 1 1 80 80 VAL HG11 H 1 0.956 0.400 . 2 . . . . . . . . 7297 1 889 . 1 1 80 80 VAL HG12 H 1 0.956 0.400 . 2 . . . . . . . . 7297 1 890 . 1 1 80 80 VAL HG13 H 1 0.956 0.400 . 2 . . . . . . . . 7297 1 891 . 1 1 80 80 VAL HG21 H 1 0.988 0.400 . 2 . . . . . . . . 7297 1 892 . 1 1 80 80 VAL HG22 H 1 0.988 0.400 . 2 . . . . . . . . 7297 1 893 . 1 1 80 80 VAL HG23 H 1 0.988 0.400 . 2 . . . . . . . . 7297 1 894 . 1 1 80 80 VAL CG1 C 13 22.210 0.400 . 1 . . . . . . . . 7297 1 895 . 1 1 80 80 VAL CG2 C 13 21.162 0.400 . 1 . . . . . . . . 7297 1 896 . 1 1 80 80 VAL C C 13 177.067 0.400 . 1 . . . . . . . . 7297 1 897 . 1 1 81 81 ASP N N 15 119.905 0.400 . 1 . . . . . . . . 7297 1 898 . 1 1 81 81 ASP H H 1 9.261 0.020 . 1 . . . . . . . . 7297 1 899 . 1 1 81 81 ASP CA C 13 56.056 0.400 . 1 . . . . . . . . 7297 1 900 . 1 1 81 81 ASP HA H 1 4.610 0.020 . 1 . . . . . . . . 7297 1 901 . 1 1 81 81 ASP CB C 13 43.540 0.400 . 1 . . . . . . . . 7297 1 902 . 1 1 81 81 ASP HB2 H 1 2.367 0.020 . 2 . . . . . . . . 7297 1 903 . 1 1 81 81 ASP HB3 H 1 2.903 0.020 . 2 . . . . . . . . 7297 1 904 . 1 1 81 81 ASP C C 13 173.636 0.400 . 1 . . . . . . . . 7297 1 905 . 1 1 82 82 GLU N N 15 117.799 0.400 . 1 . . . . . . . . 7297 1 906 . 1 1 82 82 GLU H H 1 7.729 0.020 . 1 . . . . . . . . 7297 1 907 . 1 1 82 82 GLU CA C 13 56.616 0.400 . 1 . . . . . . . . 7297 1 908 . 1 1 82 82 GLU HA H 1 2.717 0.020 . 1 . . . . . . . . 7297 1 909 . 1 1 82 82 GLU CB C 13 26.274 0.400 . 1 . . . . . . . . 7297 1 910 . 1 1 82 82 GLU HB2 H 1 1.974 0.020 . 2 . . . . . . . . 7297 1 911 . 1 1 82 82 GLU HB3 H 1 2.144 0.020 . 2 . . . . . . . . 7297 1 912 . 1 1 82 82 GLU CG C 13 37.204 0.400 . 1 . . . . . . . . 7297 1 913 . 1 1 82 82 GLU HG2 H 1 1.980 0.020 . 2 . . . . . . . . 7297 1 914 . 1 1 82 82 GLU HG3 H 1 2.040 0.020 . 2 . . . . . . . . 7297 1 915 . 1 1 83 83 VAL N N 15 109.323 0.400 . 1 . . . . . . . . 7297 1 916 . 1 1 83 83 VAL H H 1 5.611 0.020 . 1 . . . . . . . . 7297 1 917 . 1 1 83 83 VAL CA C 13 58.464 0.400 . 1 . . . . . . . . 7297 1 918 . 1 1 83 83 VAL HA H 1 4.415 0.020 . 1 . . . . . . . . 7297 1 919 . 1 1 83 83 VAL CB C 13 35.651 0.400 . 1 . . . . . . . . 7297 1 920 . 1 1 83 83 VAL HB H 1 1.958 0.020 . 1 . . . . . . . . 7297 1 921 . 1 1 83 83 VAL HG11 H 1 0.834 0.400 . 2 . . . . . . . . 7297 1 922 . 1 1 83 83 VAL HG12 H 1 0.834 0.400 . 2 . . . . . . . . 7297 1 923 . 1 1 83 83 VAL HG13 H 1 0.834 0.400 . 2 . . . . . . . . 7297 1 924 . 1 1 83 83 VAL HG21 H 1 0.767 0.400 . 2 . . . . . . . . 7297 1 925 . 1 1 83 83 VAL HG22 H 1 0.767 0.400 . 2 . . . . . . . . 7297 1 926 . 1 1 83 83 VAL HG23 H 1 0.767 0.400 . 2 . . . . . . . . 7297 1 927 . 1 1 83 83 VAL CG1 C 13 21.465 0.400 . 1 . . . . . . . . 7297 1 928 . 1 1 83 83 VAL CG2 C 13 19.299 0.400 . 1 . . . . . . . . 7297 1 929 . 1 1 83 83 VAL C C 13 172.296 0.400 . 1 . . . . . . . . 7297 1 930 . 1 1 84 84 MET N N 15 123.485 0.400 . 1 . . . . . . . . 7297 1 931 . 1 1 84 84 MET H H 1 8.493 0.020 . 1 . . . . . . . . 7297 1 932 . 1 1 84 84 MET CA C 13 53.358 0.400 . 1 . . . . . . . . 7297 1 933 . 1 1 84 84 MET HA H 1 5.655 0.020 . 1 . . . . . . . . 7297 1 934 . 1 1 84 84 MET CB C 13 36.450 0.400 . 1 . . . . . . . . 7297 1 935 . 1 1 84 84 MET HB2 H 1 2.125 0.400 . 1 . . . . . . . . 7297 1 936 . 1 1 84 84 MET HB3 H 1 2.125 0.400 . 1 . . . . . . . . 7297 1 937 . 1 1 84 84 MET CG C 13 32.455 0.400 . 1 . . . . . . . . 7297 1 938 . 1 1 84 84 MET HG2 H 1 2.657 0.400 . 1 . . . . . . . . 7297 1 939 . 1 1 84 84 MET HG3 H 1 2.657 0.400 . 1 . . . . . . . . 7297 1 940 . 1 1 84 84 MET C C 13 175.591 0.400 . 1 . . . . . . . . 7297 1 941 . 1 1 85 85 PHE N N 15 121.334 0.400 . 1 . . . . . . . . 7297 1 942 . 1 1 85 85 PHE H H 1 8.573 0.020 . 1 . . . . . . . . 7297 1 943 . 1 1 85 85 PHE CA C 13 55.831 0.400 . 1 . . . . . . . . 7297 1 944 . 1 1 85 85 PHE HA H 1 5.183 0.020 . 1 . . . . . . . . 7297 1 945 . 1 1 85 85 PHE CB C 13 40.670 0.400 . 1 . . . . . . . . 7297 1 946 . 1 1 85 85 PHE HB2 H 1 3.042 0.020 . 2 . . . . . . . . 7297 1 947 . 1 1 85 85 PHE HB3 H 1 3.210 0.020 . 2 . . . . . . . . 7297 1 948 . 1 1 85 85 PHE CD1 C 13 132.500 0.400 . 1 . . . . . . . . 7297 1 949 . 1 1 85 85 PHE HD1 H 1 6.851 0.020 . 1 . . . . . . . . 7297 1 950 . 1 1 85 85 PHE CE1 C 13 130.560 0.400 . 1 . . . . . . . . 7297 1 951 . 1 1 85 85 PHE HE1 H 1 7.080 0.020 . 1 . . . . . . . . 7297 1 952 . 1 1 85 85 PHE CZ C 13 128.900 0.400 . 1 . . . . . . . . 7297 1 953 . 1 1 85 85 PHE HZ H 1 7.101 0.020 . 1 . . . . . . . . 7297 1 954 . 1 1 85 85 PHE CE2 C 13 130.560 0.400 . 1 . . . . . . . . 7297 1 955 . 1 1 85 85 PHE HE2 H 1 7.080 0.020 . 1 . . . . . . . . 7297 1 956 . 1 1 85 85 PHE CD2 C 13 132.500 0.400 . 1 . . . . . . . . 7297 1 957 . 1 1 85 85 PHE HD2 H 1 6.851 0.020 . 1 . . . . . . . . 7297 1 958 . 1 1 85 85 PHE C C 13 173.882 0.400 . 1 . . . . . . . . 7297 1 959 . 1 1 86 86 ASP N N 15 120.789 0.400 . 1 . . . . . . . . 7297 1 960 . 1 1 86 86 ASP H H 1 9.035 0.020 . 1 . . . . . . . . 7297 1 961 . 1 1 86 86 ASP CA C 13 55.605 0.400 . 1 . . . . . . . . 7297 1 962 . 1 1 86 86 ASP HA H 1 4.875 0.020 . 1 . . . . . . . . 7297 1 963 . 1 1 86 86 ASP CB C 13 42.364 0.400 . 1 . . . . . . . . 7297 1 964 . 1 1 86 86 ASP HB2 H 1 2.835 0.020 . 2 . . . . . . . . 7297 1 965 . 1 1 86 86 ASP HB3 H 1 2.983 0.020 . 2 . . . . . . . . 7297 1 966 . 1 1 86 86 ASP C C 13 176.261 0.400 . 1 . . . . . . . . 7297 1 967 . 1 1 87 87 LEU N N 15 126.557 0.400 . 1 . . . . . . . . 7297 1 968 . 1 1 87 87 LEU H H 1 8.518 0.020 . 1 . . . . . . . . 7297 1 969 . 1 1 87 87 LEU CA C 13 53.954 0.400 . 1 . . . . . . . . 7297 1 970 . 1 1 87 87 LEU HA H 1 4.831 0.020 . 1 . . . . . . . . 7297 1 971 . 1 1 87 87 LEU CB C 13 43.002 0.400 . 1 . . . . . . . . 7297 1 972 . 1 1 87 87 LEU HB2 H 1 1.207 0.020 . 2 . . . . . . . . 7297 1 973 . 1 1 87 87 LEU HB3 H 1 1.701 0.020 . 2 . . . . . . . . 7297 1 974 . 1 1 87 87 LEU CG C 13 26.352 0.400 . 1 . . . . . . . . 7297 1 975 . 1 1 87 87 LEU HG H 1 1.551 0.020 . 1 . . . . . . . . 7297 1 976 . 1 1 87 87 LEU HD11 H 1 0.787 0.400 . 2 . . . . . . . . 7297 1 977 . 1 1 87 87 LEU HD12 H 1 0.787 0.400 . 2 . . . . . . . . 7297 1 978 . 1 1 87 87 LEU HD13 H 1 0.787 0.400 . 2 . . . . . . . . 7297 1 979 . 1 1 87 87 LEU HD21 H 1 1.018 0.400 . 2 . . . . . . . . 7297 1 980 . 1 1 87 87 LEU HD22 H 1 1.018 0.400 . 2 . . . . . . . . 7297 1 981 . 1 1 87 87 LEU HD23 H 1 1.018 0.400 . 2 . . . . . . . . 7297 1 982 . 1 1 87 87 LEU CD1 C 13 26.040 0.400 . 1 . . . . . . . . 7297 1 983 . 1 1 87 87 LEU CD2 C 13 24.040 0.400 . 1 . . . . . . . . 7297 1 984 . 1 1 87 87 LEU C C 13 178.311 0.400 . 1 . . . . . . . . 7297 1 985 . 1 1 88 88 SER N N 15 116.545 0.400 . 1 . . . . . . . . 7297 1 986 . 1 1 88 88 SER H H 1 8.664 0.020 . 1 . . . . . . . . 7297 1 987 . 1 1 88 88 SER CA C 13 63.069 0.400 . 1 . . . . . . . . 7297 1 988 . 1 1 88 88 SER HA H 1 3.951 0.020 . 1 . . . . . . . . 7297 1 989 . 1 1 88 88 SER CB C 13 62.615 0.400 . 1 . . . . . . . . 7297 1 990 . 1 1 88 88 SER HB2 H 1 4.138 0.020 . 2 . . . . . . . . 7297 1 991 . 1 1 88 88 SER HB3 H 1 3.999 0.020 . 2 . . . . . . . . 7297 1 992 . 1 1 88 88 SER C C 13 174.907 0.400 . 1 . . . . . . . . 7297 1 993 . 1 1 89 89 ASP N N 15 118.964 0.400 . 1 . . . . . . . . 7297 1 994 . 1 1 89 89 ASP H H 1 8.820 0.020 . 1 . . . . . . . . 7297 1 995 . 1 1 89 89 ASP CA C 13 53.903 0.400 . 1 . . . . . . . . 7297 1 996 . 1 1 89 89 ASP HA H 1 4.618 0.020 . 1 . . . . . . . . 7297 1 997 . 1 1 89 89 ASP CB C 13 40.010 0.400 . 1 . . . . . . . . 7297 1 998 . 1 1 89 89 ASP HB2 H 1 2.672 0.020 . 2 . . . . . . . . 7297 1 999 . 1 1 89 89 ASP HB3 H 1 2.800 0.020 . 2 . . . . . . . . 7297 1 1000 . 1 1 89 89 ASP C C 13 176.219 0.400 . 1 . . . . . . . . 7297 1 1001 . 1 1 90 90 ARG N N 15 121.275 0.400 . 1 . . . . . . . . 7297 1 1002 . 1 1 90 90 ARG H H 1 8.290 0.020 . 1 . . . . . . . . 7297 1 1003 . 1 1 90 90 ARG CA C 13 54.150 0.400 . 1 . . . . . . . . 7297 1 1004 . 1 1 90 90 ARG HA H 1 4.714 0.020 . 1 . . . . . . . . 7297 1 1005 . 1 1 90 90 ARG CB C 13 29.995 0.400 . 1 . . . . . . . . 7297 1 1006 . 1 1 90 90 ARG HB2 H 1 1.875 0.020 . 2 . . . . . . . . 7297 1 1007 . 1 1 90 90 ARG HB3 H 1 1.684 0.020 . 2 . . . . . . . . 7297 1 1008 . 1 1 90 90 ARG CG C 13 25.260 0.400 . 1 . . . . . . . . 7297 1 1009 . 1 1 90 90 ARG HG2 H 1 1.532 0.020 . 2 . . . . . . . . 7297 1 1010 . 1 1 90 90 ARG HG3 H 1 1.621 0.020 . 2 . . . . . . . . 7297 1 1011 . 1 1 90 90 ARG CD C 13 44.390 0.400 . 1 . . . . . . . . 7297 1 1012 . 1 1 90 90 ARG HD2 H 1 3.050 0.400 . 1 . . . . . . . . 7297 1 1013 . 1 1 90 90 ARG HD3 H 1 3.050 0.400 . 1 . . . . . . . . 7297 1 1014 . 1 1 90 90 ARG C C 13 174.784 0.400 . 1 . . . . . . . . 7297 1 1015 . 1 1 91 91 MET N N 15 121.026 0.400 . 1 . . . . . . . . 7297 1 1016 . 1 1 91 91 MET H H 1 8.047 0.020 . 1 . . . . . . . . 7297 1 1017 . 1 1 91 91 MET CA C 13 56.660 0.400 . 1 . . . . . . . . 7297 1 1018 . 1 1 91 91 MET HA H 1 4.084 0.020 . 1 . . . . . . . . 7297 1 1019 . 1 1 91 91 MET CB C 13 32.120 0.400 . 1 . . . . . . . . 7297 1 1020 . 1 1 91 91 MET HB2 H 1 2.323 0.020 . 2 . . . . . . . . 7297 1 1021 . 1 1 91 91 MET HB3 H 1 2.708 0.020 . 2 . . . . . . . . 7297 1 1022 . 1 1 91 91 MET CG C 13 35.204 0.400 . 1 . . . . . . . . 7297 1 1023 . 1 1 91 91 MET HG2 H 1 1.886 0.020 . 2 . . . . . . . . 7297 1 1024 . 1 1 91 91 MET HG3 H 1 2.101 0.020 . 2 . . . . . . . . 7297 1 1025 . 1 1 91 91 MET HE1 H 1 1.994 0.400 . 1 . . . . . . . . 7297 1 1026 . 1 1 91 91 MET HE2 H 1 1.994 0.400 . 1 . . . . . . . . 7297 1 1027 . 1 1 91 91 MET HE3 H 1 1.994 0.400 . 1 . . . . . . . . 7297 1 1028 . 1 1 91 91 MET CE C 13 15.834 0.400 . 1 . . . . . . . . 7297 1 1029 . 1 1 91 91 MET C C 13 177.341 0.400 . 1 . . . . . . . . 7297 1 1030 . 1 1 92 92 THR N N 15 126.544 0.400 . 1 . . . . . . . . 7297 1 1031 . 1 1 92 92 THR H H 1 11.068 0.020 . 1 . . . . . . . . 7297 1 1032 . 1 1 92 92 THR CA C 13 61.545 0.400 . 1 . . . . . . . . 7297 1 1033 . 1 1 92 92 THR HA H 1 4.509 0.020 . 1 . . . . . . . . 7297 1 1034 . 1 1 92 92 THR CB C 13 68.785 0.400 . 1 . . . . . . . . 7297 1 1035 . 1 1 92 92 THR HB H 1 4.201 0.020 . 1 . . . . . . . . 7297 1 1036 . 1 1 92 92 THR HG21 H 1 1.261 0.400 . 1 . . . . . . . . 7297 1 1037 . 1 1 92 92 THR HG22 H 1 1.261 0.400 . 1 . . . . . . . . 7297 1 1038 . 1 1 92 92 THR HG23 H 1 1.261 0.400 . 1 . . . . . . . . 7297 1 1039 . 1 1 92 92 THR CG2 C 13 20.864 0.400 . 1 . . . . . . . . 7297 1 1040 . 1 1 93 93 PRO CD C 13 51.192 0.400 . 1 . . . . . . . . 7297 1 1041 . 1 1 93 93 PRO CA C 13 62.150 0.400 . 1 . . . . . . . . 7297 1 1042 . 1 1 93 93 PRO HA H 1 4.431 0.020 . 1 . . . . . . . . 7297 1 1043 . 1 1 93 93 PRO CB C 13 31.808 0.400 . 1 . . . . . . . . 7297 1 1044 . 1 1 93 93 PRO HB2 H 1 1.852 0.020 . 2 . . . . . . . . 7297 1 1045 . 1 1 93 93 PRO HB3 H 1 2.301 0.020 . 2 . . . . . . . . 7297 1 1046 . 1 1 93 93 PRO CG C 13 27.360 0.400 . 1 . . . . . . . . 7297 1 1047 . 1 1 93 93 PRO HG2 H 1 1.965 0.020 . 2 . . . . . . . . 7297 1 1048 . 1 1 93 93 PRO HG3 H 1 2.109 0.020 . 2 . . . . . . . . 7297 1 1049 . 1 1 93 93 PRO HD2 H 1 3.872 0.020 . 2 . . . . . . . . 7297 1 1050 . 1 1 93 93 PRO HD3 H 1 4.230 0.020 . 2 . . . . . . . . 7297 1 1051 . 1 1 93 93 PRO C C 13 177.053 0.400 . 1 . . . . . . . . 7297 1 1052 . 1 1 94 94 HIS N N 15 120.690 0.400 . 1 . . . . . . . . 7297 1 1053 . 1 1 94 94 HIS H H 1 8.882 0.020 . 1 . . . . . . . . 7297 1 1054 . 1 1 94 94 HIS CA C 13 55.303 0.400 . 1 . . . . . . . . 7297 1 1055 . 1 1 94 94 HIS HA H 1 5.056 0.020 . 1 . . . . . . . . 7297 1 1056 . 1 1 94 94 HIS CB C 13 30.086 0.400 . 1 . . . . . . . . 7297 1 1057 . 1 1 94 94 HIS HB2 H 1 3.101 0.400 . 1 . . . . . . . . 7297 1 1058 . 1 1 94 94 HIS HB3 H 1 3.101 0.400 . 1 . . . . . . . . 7297 1 1059 . 1 1 94 94 HIS C C 13 176.698 0.400 . 1 . . . . . . . . 7297 1 1060 . 1 1 95 95 ASN N N 15 118.942 0.400 . 1 . . . . . . . . 7297 1 1061 . 1 1 95 95 ASN H H 1 8.624 0.020 . 1 . . . . . . . . 7297 1 1062 . 1 1 95 95 ASN CA C 13 52.834 0.400 . 1 . . . . . . . . 7297 1 1063 . 1 1 95 95 ASN HA H 1 4.789 0.020 . 1 . . . . . . . . 7297 1 1064 . 1 1 95 95 ASN CB C 13 36.507 0.400 . 1 . . . . . . . . 7297 1 1065 . 1 1 95 95 ASN HB2 H 1 2.725 0.020 . 2 . . . . . . . . 7297 1 1066 . 1 1 95 95 ASN HB3 H 1 3.051 0.020 . 2 . . . . . . . . 7297 1 1067 . 1 1 95 95 ASN ND2 N 15 112.050 0.400 . 1 . . . . . . . . 7297 1 1068 . 1 1 95 95 ASN HD21 H 1 6.864 0.020 . 2 . . . . . . . . 7297 1 1069 . 1 1 95 95 ASN HD22 H 1 7.562 0.020 . 2 . . . . . . . . 7297 1 1070 . 1 1 95 95 ASN C C 13 173.745 0.400 . 1 . . . . . . . . 7297 1 1071 . 1 1 96 96 GLY N N 15 108.107 0.400 . 1 . . . . . . . . 7297 1 1072 . 1 1 96 96 GLY H H 1 7.426 0.020 . 1 . . . . . . . . 7297 1 1073 . 1 1 96 96 GLY CA C 13 44.846 0.400 . 1 . . . . . . . . 7297 1 1074 . 1 1 96 96 GLY HA2 H 1 4.092 0.020 . 2 . . . . . . . . 7297 1 1075 . 1 1 96 96 GLY HA3 H 1 3.983 0.020 . 2 . . . . . . . . 7297 1 1076 . 1 1 97 97 PRO CD C 13 49.305 0.400 . 1 . . . . . . . . 7297 1 1077 . 1 1 97 97 PRO CA C 13 62.675 0.400 . 1 . . . . . . . . 7297 1 1078 . 1 1 97 97 PRO HA H 1 4.410 0.020 . 1 . . . . . . . . 7297 1 1079 . 1 1 97 97 PRO CB C 13 31.540 0.400 . 1 . . . . . . . . 7297 1 1080 . 1 1 97 97 PRO HB2 H 1 1.871 0.020 . 2 . . . . . . . . 7297 1 1081 . 1 1 97 97 PRO HB3 H 1 2.169 0.020 . 2 . . . . . . . . 7297 1 1082 . 1 1 97 97 PRO CG C 13 26.915 0.400 . 1 . . . . . . . . 7297 1 1083 . 1 1 97 97 PRO HG2 H 1 2.015 0.020 . 2 . . . . . . . . 7297 1 1084 . 1 1 97 97 PRO HG3 H 1 2.141 0.020 . 2 . . . . . . . . 7297 1 1085 . 1 1 97 97 PRO HD2 H 1 3.555 0.400 . 1 . . . . . . . . 7297 1 1086 . 1 1 97 97 PRO HD3 H 1 3.555 0.400 . 1 . . . . . . . . 7297 1 1087 . 1 1 97 97 PRO C C 13 175.331 0.400 . 1 . . . . . . . . 7297 1 1088 . 1 1 98 98 ILE N N 15 124.417 0.400 . 1 . . . . . . . . 7297 1 1089 . 1 1 98 98 ILE H H 1 8.019 0.020 . 1 . . . . . . . . 7297 1 1090 . 1 1 98 98 ILE CA C 13 57.934 0.400 . 1 . . . . . . . . 7297 1 1091 . 1 1 98 98 ILE HA H 1 4.504 0.020 . 1 . . . . . . . . 7297 1 1092 . 1 1 98 98 ILE CB C 13 41.517 0.400 . 1 . . . . . . . . 7297 1 1093 . 1 1 98 98 ILE HB H 1 1.564 0.020 . 1 . . . . . . . . 7297 1 1094 . 1 1 98 98 ILE HG21 H 1 1.046 0.400 . 1 . . . . . . . . 7297 1 1095 . 1 1 98 98 ILE HG22 H 1 1.046 0.400 . 1 . . . . . . . . 7297 1 1096 . 1 1 98 98 ILE HG23 H 1 1.046 0.400 . 1 . . . . . . . . 7297 1 1097 . 1 1 98 98 ILE CG2 C 13 17.214 0.400 . 1 . . . . . . . . 7297 1 1098 . 1 1 98 98 ILE CG1 C 13 27.964 0.400 . 1 . . . . . . . . 7297 1 1099 . 1 1 98 98 ILE HG12 H 1 0.537 0.020 . 2 . . . . . . . . 7297 1 1100 . 1 1 98 98 ILE HG13 H 1 1.623 0.020 . 2 . . . . . . . . 7297 1 1101 . 1 1 98 98 ILE HD11 H 1 0.397 0.400 . 1 . . . . . . . . 7297 1 1102 . 1 1 98 98 ILE HD12 H 1 0.397 0.400 . 1 . . . . . . . . 7297 1 1103 . 1 1 98 98 ILE HD13 H 1 0.397 0.400 . 1 . . . . . . . . 7297 1 1104 . 1 1 98 98 ILE CD1 C 13 13.842 0.400 . 1 . . . . . . . . 7297 1 1105 . 1 1 99 99 PRO CD C 13 52.020 0.400 . 1 . . . . . . . . 7297 1 1106 . 1 1 99 99 PRO CA C 13 63.540 0.400 . 1 . . . . . . . . 7297 1 1107 . 1 1 99 99 PRO HA H 1 4.151 0.020 . 1 . . . . . . . . 7297 1 1108 . 1 1 99 99 PRO CB C 13 32.450 0.400 . 1 . . . . . . . . 7297 1 1109 . 1 1 99 99 PRO HB2 H 1 1.498 0.020 . 2 . . . . . . . . 7297 1 1110 . 1 1 99 99 PRO HB3 H 1 1.966 0.020 . 2 . . . . . . . . 7297 1 1111 . 1 1 99 99 PRO CG C 13 27.650 0.400 . 1 . . . . . . . . 7297 1 1112 . 1 1 99 99 PRO HG2 H 1 2.049 0.020 . 2 . . . . . . . . 7297 1 1113 . 1 1 99 99 PRO HG3 H 1 2.290 0.020 . 2 . . . . . . . . 7297 1 1114 . 1 1 99 99 PRO HD2 H 1 3.942 0.020 . 2 . . . . . . . . 7297 1 1115 . 1 1 99 99 PRO HD3 H 1 4.055 0.020 . 2 . . . . . . . . 7297 1 1116 . 1 1 99 99 PRO C C 13 174.210 0.400 . 1 . . . . . . . . 7297 1 1117 . 1 1 100 100 ARG N N 15 119.775 0.400 . 1 . . . . . . . . 7297 1 1118 . 1 1 100 100 ARG H H 1 7.915 0.020 . 1 . . . . . . . . 7297 1 1119 . 1 1 100 100 ARG CA C 13 54.510 0.400 . 1 . . . . . . . . 7297 1 1120 . 1 1 100 100 ARG HA H 1 4.423 0.020 . 1 . . . . . . . . 7297 1 1121 . 1 1 100 100 ARG CB C 13 32.790 0.400 . 1 . . . . . . . . 7297 1 1122 . 1 1 100 100 ARG HB2 H 1 1.723 0.020 . 2 . . . . . . . . 7297 1 1123 . 1 1 100 100 ARG HB3 H 1 1.779 0.020 . 2 . . . . . . . . 7297 1 1124 . 1 1 100 100 ARG CG C 13 27.320 0.400 . 1 . . . . . . . . 7297 1 1125 . 1 1 100 100 ARG HG2 H 1 1.705 0.020 . 2 . . . . . . . . 7297 1 1126 . 1 1 100 100 ARG HG3 H 1 1.759 0.020 . 2 . . . . . . . . 7297 1 1127 . 1 1 100 100 ARG CD C 13 43.170 0.400 . 1 . . . . . . . . 7297 1 1128 . 1 1 100 100 ARG HD2 H 1 3.301 0.400 . 1 . . . . . . . . 7297 1 1129 . 1 1 100 100 ARG HD3 H 1 3.301 0.400 . 1 . . . . . . . . 7297 1 1130 . 1 1 100 100 ARG C C 13 175.768 0.400 . 1 . . . . . . . . 7297 1 1131 . 1 1 101 101 TYR N N 15 123.148 0.400 . 1 . . . . . . . . 7297 1 1132 . 1 1 101 101 TYR H H 1 9.282 0.020 . 1 . . . . . . . . 7297 1 1133 . 1 1 101 101 TYR CA C 13 58.704 0.400 . 1 . . . . . . . . 7297 1 1134 . 1 1 101 101 TYR HA H 1 4.447 0.020 . 1 . . . . . . . . 7297 1 1135 . 1 1 101 101 TYR CB C 13 39.679 0.400 . 1 . . . . . . . . 7297 1 1136 . 1 1 101 101 TYR HB2 H 1 2.861 0.020 . 2 . . . . . . . . 7297 1 1137 . 1 1 101 101 TYR HB3 H 1 3.183 0.020 . 2 . . . . . . . . 7297 1 1138 . 1 1 101 101 TYR CD1 C 13 132.300 0.400 . 1 . . . . . . . . 7297 1 1139 . 1 1 101 101 TYR HD1 H 1 6.361 0.020 . 1 . . . . . . . . 7297 1 1140 . 1 1 101 101 TYR CE1 C 13 118.200 0.400 . 1 . . . . . . . . 7297 1 1141 . 1 1 101 101 TYR HE1 H 1 5.448 0.020 . 1 . . . . . . . . 7297 1 1142 . 1 1 101 101 TYR CE2 C 13 118.200 0.400 . 1 . . . . . . . . 7297 1 1143 . 1 1 101 101 TYR HE2 H 1 5.448 0.020 . 1 . . . . . . . . 7297 1 1144 . 1 1 101 101 TYR CD2 C 13 132.300 0.400 . 1 . . . . . . . . 7297 1 1145 . 1 1 101 101 TYR HD2 H 1 6.361 0.020 . 1 . . . . . . . . 7297 1 1146 . 1 1 101 101 TYR C C 13 175.016 0.400 . 1 . . . . . . . . 7297 1 1147 . 1 1 102 102 VAL N N 15 120.220 0.400 . 1 . . . . . . . . 7297 1 1148 . 1 1 102 102 VAL H H 1 7.324 0.020 . 1 . . . . . . . . 7297 1 1149 . 1 1 102 102 VAL CA C 13 62.084 0.400 . 1 . . . . . . . . 7297 1 1150 . 1 1 102 102 VAL HA H 1 4.255 0.020 . 1 . . . . . . . . 7297 1 1151 . 1 1 102 102 VAL CB C 13 34.062 0.400 . 1 . . . . . . . . 7297 1 1152 . 1 1 102 102 VAL HB H 1 2.285 0.020 . 1 . . . . . . . . 7297 1 1153 . 1 1 102 102 VAL HG11 H 1 0.992 0.400 . 2 . . . . . . . . 7297 1 1154 . 1 1 102 102 VAL HG12 H 1 0.992 0.400 . 2 . . . . . . . . 7297 1 1155 . 1 1 102 102 VAL HG13 H 1 0.992 0.400 . 2 . . . . . . . . 7297 1 1156 . 1 1 102 102 VAL HG21 H 1 0.964 0.400 . 2 . . . . . . . . 7297 1 1157 . 1 1 102 102 VAL HG22 H 1 0.964 0.400 . 2 . . . . . . . . 7297 1 1158 . 1 1 102 102 VAL HG23 H 1 0.964 0.400 . 2 . . . . . . . . 7297 1 1159 . 1 1 102 102 VAL CG1 C 13 22.423 0.400 . 1 . . . . . . . . 7297 1 1160 . 1 1 102 102 VAL CG2 C 13 19.480 0.400 . 1 . . . . . . . . 7297 1 stop_ save_