data_10247 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10247 _Entry.Title ; Solution structures of the LIM domain of human NEDD9 interacting protein with calponin homology and LIM domains ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-24 _Entry.Accession_date 2008-10-28 _Entry.Last_release_date 2009-11-03 _Entry.Original_release_date 2009-11-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Sato . . . 10247 2 T. Tomizawa . . . 10247 3 K. Saito . . . 10247 4 S. Koshiba . . . 10247 5 M. Inoue . . . 10247 6 T. Kigawa . . . 10247 7 S. Yokoyama . . . 10247 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10247 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10247 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 312 10247 '15N chemical shifts' 73 10247 '1H chemical shifts' 459 10247 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 . . 2009-11-03 2008-10-24 original author . 10247 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CO8 'BMRB Entry Tracking System' 10247 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10247 _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 structures of the LIM domain of human NEDD9 interacting protein with calponin homology and LIM domains ; _Citation.Status 'in preparation' _Citation.Type journal _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 M. Sato . . . 10247 1 2 T. Tomizawa . . . 10247 1 3 K. Saito . . . 10247 1 4 S. Koshiba . . . 10247 1 5 M. Inoue . . . 10247 1 6 T. Kigawa . . . 10247 1 7 S. Yokoyama . . . 10247 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10247 _Assembly.ID 1 _Assembly.Name 'NEDD9 interacting protein with calponin homology and LIM domains' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'LIM domain' 1 $entity_1 . . yes native no no . . . 10247 1 2 'ZINC ION No.1' 2 $ZN . . no native no no . . . 10247 1 3 'ZINC ION No.2' 2 $ZN . . no native no no . . . 10247 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 'LIM domain' 1 CYS 18 18 SG . 2 'ZINC ION No.1' 2 ZN 1 1 ZN . . 18 CYS SG . . . . ZN 10247 1 2 coordination single . 1 'LIM domain' 1 CYS 21 21 SG . 2 'ZINC ION No.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 10247 1 3 coordination single . 1 'LIM domain' 1 HIS 39 39 ND1 . 2 'ZINC ION No.1' 2 ZN 1 1 ZN . . 39 HIS ND1 . . . . ZN 10247 1 4 coordination single . 1 'LIM domain' 1 CYS 42 42 SG . 2 'ZINC ION No.1' 2 ZN 1 1 ZN . . 42 CYS SG . . . . ZN 10247 1 5 coordination single . 1 'LIM domain' 1 CYS 45 45 SG . 3 'ZINC ION No.2' 2 ZN 1 1 ZN . . 45 CYS SG . . . . ZN 10247 1 6 coordination single . 1 'LIM domain' 1 CYS 48 48 SG . 3 'ZINC ION No.2' 2 ZN 1 1 ZN . . 48 CYS SG . . . . ZN 10247 1 7 coordination single . 1 'LIM domain' 1 CYS 68 68 SG . 3 'ZINC ION No.2' 2 ZN 1 1 ZN . . 68 CYS SG . . . . ZN 10247 1 8 coordination single . 1 'LIM domain' 1 HIS 71 71 ND1 . 3 'ZINC ION No.2' 2 ZN 1 1 ZN . . 71 HIS ND1 . . . . ZN 10247 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 68 68 HG . 68 CYS HG 10247 1 . . 1 1 HIS 71 71 HD1 . 71 HIS HD1 10247 1 . . 1 1 CYS 45 45 HG . 45 CYS HG 10247 1 . . 1 1 CYS 48 48 HG . 48 CYS HG 10247 1 . . 1 1 HIS 39 39 HD1 . 39 HIS HD1 10247 1 . . 1 1 CYS 42 42 HG . 42 CYS HG 10247 1 . . 1 1 CYS 18 18 HG . 18 CYS HG 10247 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 10247 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2CO8 . . . . . . 10247 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10247 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'LIM domain' _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 ; GSSGSSGQHQEAGAGDLCAL CGEHLYVLERLCVNGHFFHR SCFRCHTCEATLWPGGYEQH PGDGHFYCLQHLPQTDSGPS SG ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2CO8 . "Solution Structures Of The Lim Domain Of Human Nedd9 Interacting Protein With Calponin Homology And Lim Domains" . . . . . 100.00 82 100.00 100.00 4.52e-51 . . . . 10247 1 2 no DBJ BAB13949 . "unnamed protein product [Homo sapiens]" . . . . . 84.15 1067 100.00 100.00 5.87e-42 . . . . 10247 1 3 no DBJ BAB15124 . "unnamed protein product [Homo sapiens]" . . . . . 84.15 1067 100.00 100.00 7.06e-42 . . . . 10247 1 4 no DBJ BAB86289 . "CasL interacting molecule MICAL [Homo sapiens]" . . . . . 84.15 1067 100.00 100.00 5.59e-42 . . . . 10247 1 5 no DBJ BAD18727 . "FLJ00407 protein [Homo sapiens]" . . . . . 85.37 591 98.57 98.57 2.43e-43 . . . . 10247 1 6 no DBJ BAH12301 . "unnamed protein product [Homo sapiens]" . . . . . 84.15 1086 100.00 100.00 7.25e-42 . . . . 10247 1 7 no EMBL CAB59266 . "hypothetical protein [Homo sapiens]" . . . . . 85.37 646 98.57 98.57 2.63e-43 . . . . 10247 1 8 no GB AAH09972 . "MICAL1 protein [Homo sapiens]" . . . . . 84.15 981 100.00 100.00 5.20e-42 . . . . 10247 1 9 no GB AAH42144 . "Microtubule associated monoxygenase, calponin and LIM domain containing 1 [Homo sapiens]" . . . . . 84.15 1067 100.00 100.00 5.81e-42 . . . . 10247 1 10 no GB AAH52983 . "Microtubule associated monoxygenase, calponin and LIM domain containing 1 [Homo sapiens]" . . . . . 84.15 1067 100.00 100.00 6.34e-42 . . . . 10247 1 11 no GB AIC63549 . "MICAL1, partial [synthetic construct]" . . . . . 84.15 981 100.00 100.00 5.20e-42 . . . . 10247 1 12 no GB EAW48340 . "microtubule associated monoxygenase, calponin and LIM domain containing 1, isoform CRA_b [Homo sapiens]" . . . . . 85.37 454 98.57 98.57 4.61e-44 . . . . 10247 1 13 no REF NP_001152763 . "protein-methionine sulfoxide oxidase MICAL1 isoform 2 [Homo sapiens]" . . . . . 84.15 981 100.00 100.00 5.25e-42 . . . . 10247 1 14 no REF NP_001273542 . "protein-methionine sulfoxide oxidase MICAL1 isoform 3 [Homo sapiens]" . . . . . 84.15 1086 100.00 100.00 7.47e-42 . . . . 10247 1 15 no REF NP_073602 . "protein-methionine sulfoxide oxidase MICAL1 isoform 1 [Homo sapiens]" . . . . . 84.15 1067 100.00 100.00 5.81e-42 . . . . 10247 1 16 no REF XP_001090339 . "PREDICTED: NEDD9-interacting protein with calponin homology and LIM domains isoform 3 [Macaca mulatta]" . . . . . 84.15 1066 97.10 98.55 2.90e-40 . . . . 10247 1 17 no REF XP_001153132 . "PREDICTED: protein-methionine sulfoxide oxidase MICAL1 isoform X1 [Pan troglodytes]" . . . . . 84.15 1086 98.55 98.55 4.69e-41 . . . . 10247 1 18 no SP Q8TDZ2 . "RecName: Full=Protein-methionine sulfoxide oxidase MICAL1; AltName: Full=Molecule interacting with CasL protein 1; Short=MICAL-" . . . . . 84.15 1067 100.00 100.00 5.81e-42 . . . . 10247 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'LIM domain' . 10247 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 . GLY . 10247 1 2 . SER . 10247 1 3 . SER . 10247 1 4 . GLY . 10247 1 5 . SER . 10247 1 6 . SER . 10247 1 7 . GLY . 10247 1 8 . GLN . 10247 1 9 . HIS . 10247 1 10 . GLN . 10247 1 11 . GLU . 10247 1 12 . ALA . 10247 1 13 . GLY . 10247 1 14 . ALA . 10247 1 15 . GLY . 10247 1 16 . ASP . 10247 1 17 . LEU . 10247 1 18 . CYS . 10247 1 19 . ALA . 10247 1 20 . LEU . 10247 1 21 . CYS . 10247 1 22 . GLY . 10247 1 23 . GLU . 10247 1 24 . HIS . 10247 1 25 . LEU . 10247 1 26 . TYR . 10247 1 27 . VAL . 10247 1 28 . LEU . 10247 1 29 . GLU . 10247 1 30 . ARG . 10247 1 31 . LEU . 10247 1 32 . CYS . 10247 1 33 . VAL . 10247 1 34 . ASN . 10247 1 35 . GLY . 10247 1 36 . HIS . 10247 1 37 . PHE . 10247 1 38 . PHE . 10247 1 39 . HIS . 10247 1 40 . ARG . 10247 1 41 . SER . 10247 1 42 . CYS . 10247 1 43 . PHE . 10247 1 44 . ARG . 10247 1 45 . CYS . 10247 1 46 . HIS . 10247 1 47 . THR . 10247 1 48 . CYS . 10247 1 49 . GLU . 10247 1 50 . ALA . 10247 1 51 . THR . 10247 1 52 . LEU . 10247 1 53 . TRP . 10247 1 54 . PRO . 10247 1 55 . GLY . 10247 1 56 . GLY . 10247 1 57 . TYR . 10247 1 58 . GLU . 10247 1 59 . GLN . 10247 1 60 . HIS . 10247 1 61 . PRO . 10247 1 62 . GLY . 10247 1 63 . ASP . 10247 1 64 . GLY . 10247 1 65 . HIS . 10247 1 66 . PHE . 10247 1 67 . TYR . 10247 1 68 . CYS . 10247 1 69 . LEU . 10247 1 70 . GLN . 10247 1 71 . HIS . 10247 1 72 . LEU . 10247 1 73 . PRO . 10247 1 74 . GLN . 10247 1 75 . THR . 10247 1 76 . ASP . 10247 1 77 . SER . 10247 1 78 . GLY . 10247 1 79 . PRO . 10247 1 80 . SER . 10247 1 81 . SER . 10247 1 82 . GLY . 10247 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 . GLY 1 1 10247 1 . SER 2 2 10247 1 . SER 3 3 10247 1 . GLY 4 4 10247 1 . SER 5 5 10247 1 . SER 6 6 10247 1 . GLY 7 7 10247 1 . GLN 8 8 10247 1 . HIS 9 9 10247 1 . GLN 10 10 10247 1 . GLU 11 11 10247 1 . ALA 12 12 10247 1 . GLY 13 13 10247 1 . ALA 14 14 10247 1 . GLY 15 15 10247 1 . ASP 16 16 10247 1 . LEU 17 17 10247 1 . CYS 18 18 10247 1 . ALA 19 19 10247 1 . LEU 20 20 10247 1 . CYS 21 21 10247 1 . GLY 22 22 10247 1 . GLU 23 23 10247 1 . HIS 24 24 10247 1 . LEU 25 25 10247 1 . TYR 26 26 10247 1 . VAL 27 27 10247 1 . LEU 28 28 10247 1 . GLU 29 29 10247 1 . ARG 30 30 10247 1 . LEU 31 31 10247 1 . CYS 32 32 10247 1 . VAL 33 33 10247 1 . ASN 34 34 10247 1 . GLY 35 35 10247 1 . HIS 36 36 10247 1 . PHE 37 37 10247 1 . PHE 38 38 10247 1 . HIS 39 39 10247 1 . ARG 40 40 10247 1 . SER 41 41 10247 1 . CYS 42 42 10247 1 . PHE 43 43 10247 1 . ARG 44 44 10247 1 . CYS 45 45 10247 1 . HIS 46 46 10247 1 . THR 47 47 10247 1 . CYS 48 48 10247 1 . GLU 49 49 10247 1 . ALA 50 50 10247 1 . THR 51 51 10247 1 . LEU 52 52 10247 1 . TRP 53 53 10247 1 . PRO 54 54 10247 1 . GLY 55 55 10247 1 . GLY 56 56 10247 1 . TYR 57 57 10247 1 . GLU 58 58 10247 1 . GLN 59 59 10247 1 . HIS 60 60 10247 1 . PRO 61 61 10247 1 . GLY 62 62 10247 1 . ASP 63 63 10247 1 . GLY 64 64 10247 1 . HIS 65 65 10247 1 . PHE 66 66 10247 1 . TYR 67 67 10247 1 . CYS 68 68 10247 1 . LEU 69 69 10247 1 . GLN 70 70 10247 1 . HIS 71 71 10247 1 . LEU 72 72 10247 1 . PRO 73 73 10247 1 . GLN 74 74 10247 1 . THR 75 75 10247 1 . ASP 76 76 10247 1 . SER 77 77 10247 1 . GLY 78 78 10247 1 . PRO 79 79 10247 1 . SER 80 80 10247 1 . SER 81 81 10247 1 . GLY 82 82 10247 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 10247 _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _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 . 10247 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 10247 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10247 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 10247 _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 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P040614-06 . . . . . . 10247 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 10247 _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 . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _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 . _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; _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=1/Zn/q+2 INCHI InChi 1 10247 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 10247 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 10247 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 10247 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(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 10247 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 . . . . . . . . . . . . . . . 10247 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10247 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'LIM domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10247 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10247 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10247 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10247 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10247 1 6 ZnCl2 . . . . . . salt 0.01 . . mM . . . . 10247 1 7 H2O . . . . . . solvent 90 . . % . . . . 10247 1 8 D2O . . . . . . solvent 10 . . % . . . . 10247 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10247 _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' 120 0.1 mM 10247 1 pH 7.0 0.05 pH 10247 1 pressure 1 0.001 atm 10247 1 temperature 298 0.1 K 10247 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10247 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10247 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10247 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10247 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F' . . 10247 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10247 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10247 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10247 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10247 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10247 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10247 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10247 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10247 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guentert, P.' . . 10247 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10247 5 'structure solution' 10247 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10247 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10247 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10247 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 10247 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10247 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10247 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10247 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 . . . . . . . . . 10247 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10247 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10247 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 10247 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10247 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10247 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 9 9 HIS HA H 1 4.627 0.030 . 1 . . . . 9 HIS HA . 10247 1 2 . 1 1 9 9 HIS HB2 H 1 3.140 0.030 . 2 . . . . 9 HIS HB2 . 10247 1 3 . 1 1 9 9 HIS HB3 H 1 3.080 0.030 . 2 . . . . 9 HIS HB3 . 10247 1 4 . 1 1 9 9 HIS HD2 H 1 7.023 0.030 . 1 . . . . 9 HIS HD2 . 10247 1 5 . 1 1 9 9 HIS C C 13 175.239 0.300 . 1 . . . . 9 HIS C . 10247 1 6 . 1 1 9 9 HIS CA C 13 56.347 0.300 . 1 . . . . 9 HIS CA . 10247 1 7 . 1 1 9 9 HIS CB C 13 30.681 0.300 . 1 . . . . 9 HIS CB . 10247 1 8 . 1 1 9 9 HIS CD2 C 13 119.908 0.300 . 1 . . . . 9 HIS CD2 . 10247 1 9 . 1 1 10 10 GLN H H 1 8.313 0.030 . 1 . . . . 10 GLN H . 10247 1 10 . 1 1 10 10 GLN HA H 1 4.323 0.030 . 1 . . . . 10 GLN HA . 10247 1 11 . 1 1 10 10 GLN HB2 H 1 2.063 0.030 . 2 . . . . 10 GLN HB2 . 10247 1 12 . 1 1 10 10 GLN HB3 H 1 1.939 0.030 . 2 . . . . 10 GLN HB3 . 10247 1 13 . 1 1 10 10 GLN HE21 H 1 7.505 0.030 . 2 . . . . 10 GLN HE21 . 10247 1 14 . 1 1 10 10 GLN HE22 H 1 6.833 0.030 . 2 . . . . 10 GLN HE22 . 10247 1 15 . 1 1 10 10 GLN HG2 H 1 2.300 0.030 . 1 . . . . 10 GLN HG2 . 10247 1 16 . 1 1 10 10 GLN HG3 H 1 2.300 0.030 . 1 . . . . 10 GLN HG3 . 10247 1 17 . 1 1 10 10 GLN C C 13 175.703 0.300 . 1 . . . . 10 GLN C . 10247 1 18 . 1 1 10 10 GLN CA C 13 55.875 0.300 . 1 . . . . 10 GLN CA . 10247 1 19 . 1 1 10 10 GLN CB C 13 29.726 0.300 . 1 . . . . 10 GLN CB . 10247 1 20 . 1 1 10 10 GLN CG C 13 33.773 0.300 . 1 . . . . 10 GLN CG . 10247 1 21 . 1 1 10 10 GLN N N 15 122.031 0.300 . 1 . . . . 10 GLN N . 10247 1 22 . 1 1 10 10 GLN NE2 N 15 112.337 0.300 . 1 . . . . 10 GLN NE2 . 10247 1 23 . 1 1 11 11 GLU H H 1 8.546 0.030 . 1 . . . . 11 GLU H . 10247 1 24 . 1 1 11 11 GLU HA H 1 4.275 0.030 . 1 . . . . 11 GLU HA . 10247 1 25 . 1 1 11 11 GLU HB2 H 1 2.069 0.030 . 2 . . . . 11 GLU HB2 . 10247 1 26 . 1 1 11 11 GLU HB3 H 1 1.941 0.030 . 2 . . . . 11 GLU HB3 . 10247 1 27 . 1 1 11 11 GLU HG2 H 1 2.290 0.030 . 1 . . . . 11 GLU HG2 . 10247 1 28 . 1 1 11 11 GLU HG3 H 1 2.290 0.030 . 1 . . . . 11 GLU HG3 . 10247 1 29 . 1 1 11 11 GLU C C 13 176.303 0.300 . 1 . . . . 11 GLU C . 10247 1 30 . 1 1 11 11 GLU CA C 13 56.472 0.300 . 1 . . . . 11 GLU CA . 10247 1 31 . 1 1 11 11 GLU CB C 13 30.303 0.300 . 1 . . . . 11 GLU CB . 10247 1 32 . 1 1 11 11 GLU CG C 13 36.218 0.300 . 1 . . . . 11 GLU CG . 10247 1 33 . 1 1 11 11 GLU N N 15 122.648 0.300 . 1 . . . . 11 GLU N . 10247 1 34 . 1 1 12 12 ALA H H 1 8.403 0.030 . 1 . . . . 12 ALA H . 10247 1 35 . 1 1 12 12 ALA HA H 1 4.288 0.030 . 1 . . . . 12 ALA HA . 10247 1 36 . 1 1 12 12 ALA HB1 H 1 1.367 0.030 . 1 . . . . 12 ALA HB . 10247 1 37 . 1 1 12 12 ALA HB2 H 1 1.367 0.030 . 1 . . . . 12 ALA HB . 10247 1 38 . 1 1 12 12 ALA HB3 H 1 1.367 0.030 . 1 . . . . 12 ALA HB . 10247 1 39 . 1 1 12 12 ALA C C 13 178.231 0.300 . 1 . . . . 12 ALA C . 10247 1 40 . 1 1 12 12 ALA CA C 13 52.759 0.300 . 1 . . . . 12 ALA CA . 10247 1 41 . 1 1 12 12 ALA CB C 13 19.237 0.300 . 1 . . . . 12 ALA CB . 10247 1 42 . 1 1 12 12 ALA N N 15 125.516 0.300 . 1 . . . . 12 ALA N . 10247 1 43 . 1 1 13 13 GLY H H 1 8.490 0.030 . 1 . . . . 13 GLY H . 10247 1 44 . 1 1 13 13 GLY HA2 H 1 3.994 0.030 . 2 . . . . 13 GLY HA2 . 10247 1 45 . 1 1 13 13 GLY HA3 H 1 3.890 0.030 . 2 . . . . 13 GLY HA3 . 10247 1 46 . 1 1 13 13 GLY C C 13 174.176 0.300 . 1 . . . . 13 GLY C . 10247 1 47 . 1 1 13 13 GLY CA C 13 45.094 0.300 . 1 . . . . 13 GLY CA . 10247 1 48 . 1 1 13 13 GLY N N 15 108.839 0.300 . 1 . . . . 13 GLY N . 10247 1 49 . 1 1 14 14 ALA H H 1 8.172 0.030 . 1 . . . . 14 ALA H . 10247 1 50 . 1 1 14 14 ALA HA H 1 4.246 0.030 . 1 . . . . 14 ALA HA . 10247 1 51 . 1 1 14 14 ALA HB1 H 1 1.367 0.030 . 1 . . . . 14 ALA HB . 10247 1 52 . 1 1 14 14 ALA HB2 H 1 1.367 0.030 . 1 . . . . 14 ALA HB . 10247 1 53 . 1 1 14 14 ALA HB3 H 1 1.367 0.030 . 1 . . . . 14 ALA HB . 10247 1 54 . 1 1 14 14 ALA C C 13 178.304 0.300 . 1 . . . . 14 ALA C . 10247 1 55 . 1 1 14 14 ALA CA C 13 52.988 0.300 . 1 . . . . 14 ALA CA . 10247 1 56 . 1 1 14 14 ALA CB C 13 19.228 0.300 . 1 . . . . 14 ALA CB . 10247 1 57 . 1 1 14 14 ALA N N 15 123.459 0.300 . 1 . . . . 14 ALA N . 10247 1 58 . 1 1 15 15 GLY H H 1 8.329 0.030 . 1 . . . . 15 GLY H . 10247 1 59 . 1 1 15 15 GLY HA2 H 1 3.578 0.030 . 1 . . . . 15 GLY HA2 . 10247 1 60 . 1 1 15 15 GLY HA3 H 1 3.578 0.030 . 1 . . . . 15 GLY HA3 . 10247 1 61 . 1 1 15 15 GLY C C 13 173.577 0.300 . 1 . . . . 15 GLY C . 10247 1 62 . 1 1 15 15 GLY CA C 13 45.128 0.300 . 1 . . . . 15 GLY CA . 10247 1 63 . 1 1 15 15 GLY N N 15 107.276 0.300 . 1 . . . . 15 GLY N . 10247 1 64 . 1 1 16 16 ASP H H 1 7.898 0.030 . 1 . . . . 16 ASP H . 10247 1 65 . 1 1 16 16 ASP HA H 1 4.547 0.030 . 1 . . . . 16 ASP HA . 10247 1 66 . 1 1 16 16 ASP HB2 H 1 2.462 0.030 . 1 . . . . 16 ASP HB2 . 10247 1 67 . 1 1 16 16 ASP HB3 H 1 2.462 0.030 . 1 . . . . 16 ASP HB3 . 10247 1 68 . 1 1 16 16 ASP C C 13 174.898 0.300 . 1 . . . . 16 ASP C . 10247 1 69 . 1 1 16 16 ASP CA C 13 54.344 0.300 . 1 . . . . 16 ASP CA . 10247 1 70 . 1 1 16 16 ASP CB C 13 41.534 0.300 . 1 . . . . 16 ASP CB . 10247 1 71 . 1 1 16 16 ASP N N 15 118.642 0.300 . 1 . . . . 16 ASP N . 10247 1 72 . 1 1 17 17 LEU H H 1 7.822 0.030 . 1 . . . . 17 LEU H . 10247 1 73 . 1 1 17 17 LEU HA H 1 4.446 0.030 . 1 . . . . 17 LEU HA . 10247 1 74 . 1 1 17 17 LEU HB2 H 1 1.452 0.030 . 2 . . . . 17 LEU HB2 . 10247 1 75 . 1 1 17 17 LEU HB3 H 1 0.967 0.030 . 2 . . . . 17 LEU HB3 . 10247 1 76 . 1 1 17 17 LEU HD11 H 1 0.746 0.030 . 1 . . . . 17 LEU HD1 . 10247 1 77 . 1 1 17 17 LEU HD12 H 1 0.746 0.030 . 1 . . . . 17 LEU HD1 . 10247 1 78 . 1 1 17 17 LEU HD13 H 1 0.746 0.030 . 1 . . . . 17 LEU HD1 . 10247 1 79 . 1 1 17 17 LEU HD21 H 1 0.445 0.030 . 1 . . . . 17 LEU HD2 . 10247 1 80 . 1 1 17 17 LEU HD22 H 1 0.445 0.030 . 1 . . . . 17 LEU HD2 . 10247 1 81 . 1 1 17 17 LEU HD23 H 1 0.445 0.030 . 1 . . . . 17 LEU HD2 . 10247 1 82 . 1 1 17 17 LEU HG H 1 1.406 0.030 . 1 . . . . 17 LEU HG . 10247 1 83 . 1 1 17 17 LEU C C 13 175.902 0.300 . 1 . . . . 17 LEU C . 10247 1 84 . 1 1 17 17 LEU CA C 13 53.128 0.300 . 1 . . . . 17 LEU CA . 10247 1 85 . 1 1 17 17 LEU CB C 13 44.656 0.300 . 1 . . . . 17 LEU CB . 10247 1 86 . 1 1 17 17 LEU CD1 C 13 25.017 0.300 . 2 . . . . 17 LEU CD1 . 10247 1 87 . 1 1 17 17 LEU CD2 C 13 22.331 0.300 . 2 . . . . 17 LEU CD2 . 10247 1 88 . 1 1 17 17 LEU CG C 13 26.458 0.300 . 1 . . . . 17 LEU CG . 10247 1 89 . 1 1 17 17 LEU N N 15 119.654 0.300 . 1 . . . . 17 LEU N . 10247 1 90 . 1 1 18 18 CYS H H 1 8.080 0.030 . 1 . . . . 18 CYS H . 10247 1 91 . 1 1 18 18 CYS HA H 1 4.248 0.030 . 1 . . . . 18 CYS HA . 10247 1 92 . 1 1 18 18 CYS HB2 H 1 3.445 0.030 . 2 . . . . 18 CYS HB2 . 10247 1 93 . 1 1 18 18 CYS HB3 H 1 2.177 0.030 . 2 . . . . 18 CYS HB3 . 10247 1 94 . 1 1 18 18 CYS C C 13 177.466 0.300 . 1 . . . . 18 CYS C . 10247 1 95 . 1 1 18 18 CYS CA C 13 58.398 0.300 . 1 . . . . 18 CYS CA . 10247 1 96 . 1 1 18 18 CYS CB C 13 31.990 0.300 . 1 . . . . 18 CYS CB . 10247 1 97 . 1 1 18 18 CYS N N 15 123.013 0.300 . 1 . . . . 18 CYS N . 10247 1 98 . 1 1 19 19 ALA H H 1 9.211 0.030 . 1 . . . . 19 ALA H . 10247 1 99 . 1 1 19 19 ALA HA H 1 4.172 0.030 . 1 . . . . 19 ALA HA . 10247 1 100 . 1 1 19 19 ALA HB1 H 1 1.270 0.030 . 1 . . . . 19 ALA HB . 10247 1 101 . 1 1 19 19 ALA HB2 H 1 1.270 0.030 . 1 . . . . 19 ALA HB . 10247 1 102 . 1 1 19 19 ALA HB3 H 1 1.270 0.030 . 1 . . . . 19 ALA HB . 10247 1 103 . 1 1 19 19 ALA C C 13 177.724 0.300 . 1 . . . . 19 ALA C . 10247 1 104 . 1 1 19 19 ALA CA C 13 54.327 0.300 . 1 . . . . 19 ALA CA . 10247 1 105 . 1 1 19 19 ALA CB C 13 18.662 0.300 . 1 . . . . 19 ALA CB . 10247 1 106 . 1 1 19 19 ALA N N 15 132.258 0.300 . 1 . . . . 19 ALA N . 10247 1 107 . 1 1 20 20 LEU H H 1 8.911 0.030 . 1 . . . . 20 LEU H . 10247 1 108 . 1 1 20 20 LEU HA H 1 4.736 0.030 . 1 . . . . 20 LEU HA . 10247 1 109 . 1 1 20 20 LEU HB2 H 1 1.989 0.030 . 2 . . . . 20 LEU HB2 . 10247 1 110 . 1 1 20 20 LEU HB3 H 1 1.880 0.030 . 2 . . . . 20 LEU HB3 . 10247 1 111 . 1 1 20 20 LEU HD11 H 1 0.887 0.030 . 1 . . . . 20 LEU HD1 . 10247 1 112 . 1 1 20 20 LEU HD12 H 1 0.887 0.030 . 1 . . . . 20 LEU HD1 . 10247 1 113 . 1 1 20 20 LEU HD13 H 1 0.887 0.030 . 1 . . . . 20 LEU HD1 . 10247 1 114 . 1 1 20 20 LEU HD21 H 1 1.115 0.030 . 1 . . . . 20 LEU HD2 . 10247 1 115 . 1 1 20 20 LEU HD22 H 1 1.115 0.030 . 1 . . . . 20 LEU HD2 . 10247 1 116 . 1 1 20 20 LEU HD23 H 1 1.115 0.030 . 1 . . . . 20 LEU HD2 . 10247 1 117 . 1 1 20 20 LEU HG H 1 1.726 0.030 . 1 . . . . 20 LEU HG . 10247 1 118 . 1 1 20 20 LEU C C 13 177.779 0.300 . 1 . . . . 20 LEU C . 10247 1 119 . 1 1 20 20 LEU CA C 13 56.935 0.300 . 1 . . . . 20 LEU CA . 10247 1 120 . 1 1 20 20 LEU CB C 13 43.750 0.300 . 1 . . . . 20 LEU CB . 10247 1 121 . 1 1 20 20 LEU CD1 C 13 24.967 0.300 . 2 . . . . 20 LEU CD1 . 10247 1 122 . 1 1 20 20 LEU CD2 C 13 23.881 0.300 . 2 . . . . 20 LEU CD2 . 10247 1 123 . 1 1 20 20 LEU CG C 13 27.979 0.300 . 1 . . . . 20 LEU CG . 10247 1 124 . 1 1 20 20 LEU N N 15 119.770 0.300 . 1 . . . . 20 LEU N . 10247 1 125 . 1 1 21 21 CYS H H 1 8.159 0.030 . 1 . . . . 21 CYS H . 10247 1 126 . 1 1 21 21 CYS HA H 1 4.962 0.030 . 1 . . . . 21 CYS HA . 10247 1 127 . 1 1 21 21 CYS HB2 H 1 3.391 0.030 . 2 . . . . 21 CYS HB2 . 10247 1 128 . 1 1 21 21 CYS HB3 H 1 3.149 0.030 . 2 . . . . 21 CYS HB3 . 10247 1 129 . 1 1 21 21 CYS C C 13 176.947 0.300 . 1 . . . . 21 CYS C . 10247 1 130 . 1 1 21 21 CYS CA C 13 59.137 0.300 . 1 . . . . 21 CYS CA . 10247 1 131 . 1 1 21 21 CYS CB C 13 31.728 0.300 . 1 . . . . 21 CYS CB . 10247 1 132 . 1 1 21 21 CYS N N 15 116.713 0.300 . 1 . . . . 21 CYS N . 10247 1 133 . 1 1 22 22 GLY H H 1 8.088 0.030 . 1 . . . . 22 GLY H . 10247 1 134 . 1 1 22 22 GLY HA2 H 1 4.160 0.030 . 2 . . . . 22 GLY HA2 . 10247 1 135 . 1 1 22 22 GLY HA3 H 1 3.865 0.030 . 2 . . . . 22 GLY HA3 . 10247 1 136 . 1 1 22 22 GLY C C 13 173.190 0.300 . 1 . . . . 22 GLY C . 10247 1 137 . 1 1 22 22 GLY CA C 13 46.556 0.300 . 1 . . . . 22 GLY CA . 10247 1 138 . 1 1 22 22 GLY N N 15 112.000 0.300 . 1 . . . . 22 GLY N . 10247 1 139 . 1 1 23 23 GLU H H 1 8.378 0.030 . 1 . . . . 23 GLU H . 10247 1 140 . 1 1 23 23 GLU HA H 1 4.712 0.030 . 1 . . . . 23 GLU HA . 10247 1 141 . 1 1 23 23 GLU HB2 H 1 2.376 0.030 . 2 . . . . 23 GLU HB2 . 10247 1 142 . 1 1 23 23 GLU HB3 H 1 2.244 0.030 . 2 . . . . 23 GLU HB3 . 10247 1 143 . 1 1 23 23 GLU HG2 H 1 2.474 0.030 . 2 . . . . 23 GLU HG2 . 10247 1 144 . 1 1 23 23 GLU HG3 H 1 2.306 0.030 . 2 . . . . 23 GLU HG3 . 10247 1 145 . 1 1 23 23 GLU C C 13 176.434 0.300 . 1 . . . . 23 GLU C . 10247 1 146 . 1 1 23 23 GLU CA C 13 55.014 0.300 . 1 . . . . 23 GLU CA . 10247 1 147 . 1 1 23 23 GLU CB C 13 31.557 0.300 . 1 . . . . 23 GLU CB . 10247 1 148 . 1 1 23 23 GLU CG C 13 36.119 0.300 . 1 . . . . 23 GLU CG . 10247 1 149 . 1 1 23 23 GLU N N 15 118.877 0.300 . 1 . . . . 23 GLU N . 10247 1 150 . 1 1 24 24 HIS H H 1 8.666 0.030 . 1 . . . . 24 HIS H . 10247 1 151 . 1 1 24 24 HIS HA H 1 4.333 0.030 . 1 . . . . 24 HIS HA . 10247 1 152 . 1 1 24 24 HIS HB2 H 1 2.926 0.030 . 2 . . . . 24 HIS HB2 . 10247 1 153 . 1 1 24 24 HIS HB3 H 1 2.830 0.030 . 2 . . . . 24 HIS HB3 . 10247 1 154 . 1 1 24 24 HIS HD2 H 1 6.817 0.030 . 1 . . . . 24 HIS HD2 . 10247 1 155 . 1 1 24 24 HIS HE1 H 1 7.868 0.030 . 1 . . . . 24 HIS HE1 . 10247 1 156 . 1 1 24 24 HIS C C 13 175.281 0.300 . 1 . . . . 24 HIS C . 10247 1 157 . 1 1 24 24 HIS CA C 13 58.186 0.300 . 1 . . . . 24 HIS CA . 10247 1 158 . 1 1 24 24 HIS CB C 13 30.099 0.300 . 1 . . . . 24 HIS CB . 10247 1 159 . 1 1 24 24 HIS CD2 C 13 120.664 0.300 . 1 . . . . 24 HIS CD2 . 10247 1 160 . 1 1 24 24 HIS CE1 C 13 137.771 0.300 . 1 . . . . 24 HIS CE1 . 10247 1 161 . 1 1 24 24 HIS N N 15 118.732 0.300 . 1 . . . . 24 HIS N . 10247 1 162 . 1 1 25 25 LEU H H 1 7.928 0.030 . 1 . . . . 25 LEU H . 10247 1 163 . 1 1 25 25 LEU HA H 1 4.174 0.030 . 1 . . . . 25 LEU HA . 10247 1 164 . 1 1 25 25 LEU HB2 H 1 1.138 0.030 . 2 . . . . 25 LEU HB2 . 10247 1 165 . 1 1 25 25 LEU HB3 H 1 0.978 0.030 . 2 . . . . 25 LEU HB3 . 10247 1 166 . 1 1 25 25 LEU HD11 H 1 0.323 0.030 . 1 . . . . 25 LEU HD1 . 10247 1 167 . 1 1 25 25 LEU HD12 H 1 0.323 0.030 . 1 . . . . 25 LEU HD1 . 10247 1 168 . 1 1 25 25 LEU HD13 H 1 0.323 0.030 . 1 . . . . 25 LEU HD1 . 10247 1 169 . 1 1 25 25 LEU HD21 H 1 0.199 0.030 . 1 . . . . 25 LEU HD2 . 10247 1 170 . 1 1 25 25 LEU HD22 H 1 0.199 0.030 . 1 . . . . 25 LEU HD2 . 10247 1 171 . 1 1 25 25 LEU HD23 H 1 0.199 0.030 . 1 . . . . 25 LEU HD2 . 10247 1 172 . 1 1 25 25 LEU HG H 1 1.039 0.030 . 1 . . . . 25 LEU HG . 10247 1 173 . 1 1 25 25 LEU C C 13 175.186 0.300 . 1 . . . . 25 LEU C . 10247 1 174 . 1 1 25 25 LEU CA C 13 53.992 0.300 . 1 . . . . 25 LEU CA . 10247 1 175 . 1 1 25 25 LEU CB C 13 43.742 0.300 . 1 . . . . 25 LEU CB . 10247 1 176 . 1 1 25 25 LEU CD1 C 13 25.468 0.300 . 2 . . . . 25 LEU CD1 . 10247 1 177 . 1 1 25 25 LEU CD2 C 13 24.937 0.300 . 2 . . . . 25 LEU CD2 . 10247 1 178 . 1 1 25 25 LEU CG C 13 26.597 0.300 . 1 . . . . 25 LEU CG . 10247 1 179 . 1 1 25 25 LEU N N 15 125.590 0.300 . 1 . . . . 25 LEU N . 10247 1 180 . 1 1 26 26 TYR H H 1 8.768 0.030 . 1 . . . . 26 TYR H . 10247 1 181 . 1 1 26 26 TYR HA H 1 4.651 0.030 . 1 . . . . 26 TYR HA . 10247 1 182 . 1 1 26 26 TYR HB2 H 1 3.270 0.030 . 2 . . . . 26 TYR HB2 . 10247 1 183 . 1 1 26 26 TYR HB3 H 1 3.010 0.030 . 2 . . . . 26 TYR HB3 . 10247 1 184 . 1 1 26 26 TYR HD1 H 1 7.286 0.030 . 1 . . . . 26 TYR HD1 . 10247 1 185 . 1 1 26 26 TYR HD2 H 1 7.286 0.030 . 1 . . . . 26 TYR HD2 . 10247 1 186 . 1 1 26 26 TYR HE1 H 1 6.878 0.030 . 1 . . . . 26 TYR HE1 . 10247 1 187 . 1 1 26 26 TYR HE2 H 1 6.878 0.030 . 1 . . . . 26 TYR HE2 . 10247 1 188 . 1 1 26 26 TYR C C 13 177.267 0.300 . 1 . . . . 26 TYR C . 10247 1 189 . 1 1 26 26 TYR CA C 13 57.270 0.300 . 1 . . . . 26 TYR CA . 10247 1 190 . 1 1 26 26 TYR CB C 13 38.210 0.300 . 1 . . . . 26 TYR CB . 10247 1 191 . 1 1 26 26 TYR CD1 C 13 133.100 0.300 . 1 . . . . 26 TYR CD1 . 10247 1 192 . 1 1 26 26 TYR CD2 C 13 133.100 0.300 . 1 . . . . 26 TYR CD2 . 10247 1 193 . 1 1 26 26 TYR CE1 C 13 118.526 0.300 . 1 . . . . 26 TYR CE1 . 10247 1 194 . 1 1 26 26 TYR CE2 C 13 118.526 0.300 . 1 . . . . 26 TYR CE2 . 10247 1 195 . 1 1 26 26 TYR N N 15 123.119 0.300 . 1 . . . . 26 TYR N . 10247 1 196 . 1 1 27 27 VAL H H 1 8.086 0.030 . 1 . . . . 27 VAL H . 10247 1 197 . 1 1 27 27 VAL HA H 1 3.809 0.030 . 1 . . . . 27 VAL HA . 10247 1 198 . 1 1 27 27 VAL HB H 1 2.162 0.030 . 1 . . . . 27 VAL HB . 10247 1 199 . 1 1 27 27 VAL HG11 H 1 0.918 0.030 . 1 . . . . 27 VAL HG1 . 10247 1 200 . 1 1 27 27 VAL HG12 H 1 0.918 0.030 . 1 . . . . 27 VAL HG1 . 10247 1 201 . 1 1 27 27 VAL HG13 H 1 0.918 0.030 . 1 . . . . 27 VAL HG1 . 10247 1 202 . 1 1 27 27 VAL HG21 H 1 0.890 0.030 . 1 . . . . 27 VAL HG2 . 10247 1 203 . 1 1 27 27 VAL HG22 H 1 0.890 0.030 . 1 . . . . 27 VAL HG2 . 10247 1 204 . 1 1 27 27 VAL HG23 H 1 0.890 0.030 . 1 . . . . 27 VAL HG2 . 10247 1 205 . 1 1 27 27 VAL C C 13 176.958 0.300 . 1 . . . . 27 VAL C . 10247 1 206 . 1 1 27 27 VAL CA C 13 64.551 0.300 . 1 . . . . 27 VAL CA . 10247 1 207 . 1 1 27 27 VAL CB C 13 31.788 0.300 . 1 . . . . 27 VAL CB . 10247 1 208 . 1 1 27 27 VAL CG1 C 13 20.894 0.300 . 2 . . . . 27 VAL CG1 . 10247 1 209 . 1 1 27 27 VAL CG2 C 13 20.635 0.300 . 2 . . . . 27 VAL CG2 . 10247 1 210 . 1 1 27 27 VAL N N 15 121.055 0.300 . 1 . . . . 27 VAL N . 10247 1 211 . 1 1 28 28 LEU H H 1 7.665 0.030 . 1 . . . . 28 LEU H . 10247 1 212 . 1 1 28 28 LEU HA H 1 4.285 0.030 . 1 . . . . 28 LEU HA . 10247 1 213 . 1 1 28 28 LEU HB2 H 1 1.820 0.030 . 2 . . . . 28 LEU HB2 . 10247 1 214 . 1 1 28 28 LEU HB3 H 1 1.680 0.030 . 2 . . . . 28 LEU HB3 . 10247 1 215 . 1 1 28 28 LEU HD11 H 1 0.995 0.030 . 1 . . . . 28 LEU HD1 . 10247 1 216 . 1 1 28 28 LEU HD12 H 1 0.995 0.030 . 1 . . . . 28 LEU HD1 . 10247 1 217 . 1 1 28 28 LEU HD13 H 1 0.995 0.030 . 1 . . . . 28 LEU HD1 . 10247 1 218 . 1 1 28 28 LEU HD21 H 1 0.935 0.030 . 1 . . . . 28 LEU HD2 . 10247 1 219 . 1 1 28 28 LEU HD22 H 1 0.935 0.030 . 1 . . . . 28 LEU HD2 . 10247 1 220 . 1 1 28 28 LEU HD23 H 1 0.935 0.030 . 1 . . . . 28 LEU HD2 . 10247 1 221 . 1 1 28 28 LEU HG H 1 1.698 0.030 . 1 . . . . 28 LEU HG . 10247 1 222 . 1 1 28 28 LEU C C 13 177.710 0.300 . 1 . . . . 28 LEU C . 10247 1 223 . 1 1 28 28 LEU CA C 13 56.297 0.300 . 1 . . . . 28 LEU CA . 10247 1 224 . 1 1 28 28 LEU CB C 13 41.998 0.300 . 1 . . . . 28 LEU CB . 10247 1 225 . 1 1 28 28 LEU CD1 C 13 25.137 0.300 . 2 . . . . 28 LEU CD1 . 10247 1 226 . 1 1 28 28 LEU CD2 C 13 22.953 0.300 . 2 . . . . 28 LEU CD2 . 10247 1 227 . 1 1 28 28 LEU CG C 13 27.274 0.300 . 1 . . . . 28 LEU CG . 10247 1 228 . 1 1 28 28 LEU N N 15 119.062 0.300 . 1 . . . . 28 LEU N . 10247 1 229 . 1 1 29 29 GLU H H 1 7.961 0.030 . 1 . . . . 29 GLU H . 10247 1 230 . 1 1 29 29 GLU HA H 1 4.479 0.030 . 1 . . . . 29 GLU HA . 10247 1 231 . 1 1 29 29 GLU HB2 H 1 2.381 0.030 . 2 . . . . 29 GLU HB2 . 10247 1 232 . 1 1 29 29 GLU HB3 H 1 2.149 0.030 . 2 . . . . 29 GLU HB3 . 10247 1 233 . 1 1 29 29 GLU HG2 H 1 2.387 0.030 . 1 . . . . 29 GLU HG2 . 10247 1 234 . 1 1 29 29 GLU HG3 H 1 2.387 0.030 . 1 . . . . 29 GLU HG3 . 10247 1 235 . 1 1 29 29 GLU C C 13 175.755 0.300 . 1 . . . . 29 GLU C . 10247 1 236 . 1 1 29 29 GLU CA C 13 56.248 0.300 . 1 . . . . 29 GLU CA . 10247 1 237 . 1 1 29 29 GLU CB C 13 30.550 0.300 . 1 . . . . 29 GLU CB . 10247 1 238 . 1 1 29 29 GLU CG C 13 36.630 0.300 . 1 . . . . 29 GLU CG . 10247 1 239 . 1 1 29 29 GLU N N 15 117.067 0.300 . 1 . . . . 29 GLU N . 10247 1 240 . 1 1 30 30 ARG H H 1 7.724 0.030 . 1 . . . . 30 ARG H . 10247 1 241 . 1 1 30 30 ARG HA H 1 4.688 0.030 . 1 . . . . 30 ARG HA . 10247 1 242 . 1 1 30 30 ARG HB2 H 1 1.763 0.030 . 2 . . . . 30 ARG HB2 . 10247 1 243 . 1 1 30 30 ARG HB3 H 1 1.708 0.030 . 2 . . . . 30 ARG HB3 . 10247 1 244 . 1 1 30 30 ARG HD2 H 1 2.771 0.030 . 1 . . . . 30 ARG HD2 . 10247 1 245 . 1 1 30 30 ARG HD3 H 1 2.771 0.030 . 1 . . . . 30 ARG HD3 . 10247 1 246 . 1 1 30 30 ARG HG2 H 1 1.621 0.030 . 2 . . . . 30 ARG HG2 . 10247 1 247 . 1 1 30 30 ARG HG3 H 1 1.476 0.030 . 2 . . . . 30 ARG HG3 . 10247 1 248 . 1 1 30 30 ARG C C 13 174.546 0.300 . 1 . . . . 30 ARG C . 10247 1 249 . 1 1 30 30 ARG CA C 13 55.948 0.300 . 1 . . . . 30 ARG CA . 10247 1 250 . 1 1 30 30 ARG CB C 13 33.034 0.300 . 1 . . . . 30 ARG CB . 10247 1 251 . 1 1 30 30 ARG CD C 13 43.933 0.300 . 1 . . . . 30 ARG CD . 10247 1 252 . 1 1 30 30 ARG CG C 13 25.837 0.300 . 1 . . . . 30 ARG CG . 10247 1 253 . 1 1 30 30 ARG N N 15 120.305 0.300 . 1 . . . . 30 ARG N . 10247 1 254 . 1 1 31 31 LEU H H 1 8.970 0.030 . 1 . . . . 31 LEU H . 10247 1 255 . 1 1 31 31 LEU HA H 1 4.635 0.030 . 1 . . . . 31 LEU HA . 10247 1 256 . 1 1 31 31 LEU HB2 H 1 1.456 0.030 . 2 . . . . 31 LEU HB2 . 10247 1 257 . 1 1 31 31 LEU HB3 H 1 1.319 0.030 . 2 . . . . 31 LEU HB3 . 10247 1 258 . 1 1 31 31 LEU HD11 H 1 0.669 0.030 . 1 . . . . 31 LEU HD1 . 10247 1 259 . 1 1 31 31 LEU HD12 H 1 0.669 0.030 . 1 . . . . 31 LEU HD1 . 10247 1 260 . 1 1 31 31 LEU HD13 H 1 0.669 0.030 . 1 . . . . 31 LEU HD1 . 10247 1 261 . 1 1 31 31 LEU HD21 H 1 0.581 0.030 . 1 . . . . 31 LEU HD2 . 10247 1 262 . 1 1 31 31 LEU HD22 H 1 0.581 0.030 . 1 . . . . 31 LEU HD2 . 10247 1 263 . 1 1 31 31 LEU HD23 H 1 0.581 0.030 . 1 . . . . 31 LEU HD2 . 10247 1 264 . 1 1 31 31 LEU HG H 1 1.234 0.030 . 1 . . . . 31 LEU HG . 10247 1 265 . 1 1 31 31 LEU C C 13 174.536 0.300 . 1 . . . . 31 LEU C . 10247 1 266 . 1 1 31 31 LEU CA C 13 54.168 0.300 . 1 . . . . 31 LEU CA . 10247 1 267 . 1 1 31 31 LEU CB C 13 45.021 0.300 . 1 . . . . 31 LEU CB . 10247 1 268 . 1 1 31 31 LEU CD1 C 13 24.896 0.300 . 2 . . . . 31 LEU CD1 . 10247 1 269 . 1 1 31 31 LEU CD2 C 13 25.271 0.300 . 2 . . . . 31 LEU CD2 . 10247 1 270 . 1 1 31 31 LEU CG C 13 27.155 0.300 . 1 . . . . 31 LEU CG . 10247 1 271 . 1 1 31 31 LEU N N 15 124.553 0.300 . 1 . . . . 31 LEU N . 10247 1 272 . 1 1 32 32 CYS H H 1 8.558 0.030 . 1 . . . . 32 CYS H . 10247 1 273 . 1 1 32 32 CYS HA H 1 4.954 0.030 . 1 . . . . 32 CYS HA . 10247 1 274 . 1 1 32 32 CYS HB2 H 1 2.650 0.030 . 2 . . . . 32 CYS HB2 . 10247 1 275 . 1 1 32 32 CYS HB3 H 1 2.518 0.030 . 2 . . . . 32 CYS HB3 . 10247 1 276 . 1 1 32 32 CYS C C 13 174.418 0.300 . 1 . . . . 32 CYS C . 10247 1 277 . 1 1 32 32 CYS CA C 13 56.874 0.300 . 1 . . . . 32 CYS CA . 10247 1 278 . 1 1 32 32 CYS CB C 13 28.054 0.300 . 1 . . . . 32 CYS CB . 10247 1 279 . 1 1 32 32 CYS N N 15 124.126 0.300 . 1 . . . . 32 CYS N . 10247 1 280 . 1 1 33 33 VAL H H 1 8.893 0.030 . 1 . . . . 33 VAL H . 10247 1 281 . 1 1 33 33 VAL HA H 1 4.103 0.030 . 1 . . . . 33 VAL HA . 10247 1 282 . 1 1 33 33 VAL HB H 1 1.589 0.030 . 1 . . . . 33 VAL HB . 10247 1 283 . 1 1 33 33 VAL HG11 H 1 0.721 0.030 . 1 . . . . 33 VAL HG1 . 10247 1 284 . 1 1 33 33 VAL HG12 H 1 0.721 0.030 . 1 . . . . 33 VAL HG1 . 10247 1 285 . 1 1 33 33 VAL HG13 H 1 0.721 0.030 . 1 . . . . 33 VAL HG1 . 10247 1 286 . 1 1 33 33 VAL HG21 H 1 0.006 0.030 . 1 . . . . 33 VAL HG2 . 10247 1 287 . 1 1 33 33 VAL HG22 H 1 0.006 0.030 . 1 . . . . 33 VAL HG2 . 10247 1 288 . 1 1 33 33 VAL HG23 H 1 0.006 0.030 . 1 . . . . 33 VAL HG2 . 10247 1 289 . 1 1 33 33 VAL C C 13 175.525 0.300 . 1 . . . . 33 VAL C . 10247 1 290 . 1 1 33 33 VAL CA C 13 61.551 0.300 . 1 . . . . 33 VAL CA . 10247 1 291 . 1 1 33 33 VAL CB C 13 34.027 0.300 . 1 . . . . 33 VAL CB . 10247 1 292 . 1 1 33 33 VAL CG1 C 13 21.295 0.300 . 2 . . . . 33 VAL CG1 . 10247 1 293 . 1 1 33 33 VAL CG2 C 13 19.524 0.300 . 2 . . . . 33 VAL CG2 . 10247 1 294 . 1 1 33 33 VAL N N 15 129.037 0.300 . 1 . . . . 33 VAL N . 10247 1 295 . 1 1 34 34 ASN HA H 1 4.389 0.030 . 1 . . . . 34 ASN HA . 10247 1 296 . 1 1 34 34 ASN HB2 H 1 3.324 0.030 . 2 . . . . 34 ASN HB2 . 10247 1 297 . 1 1 34 34 ASN HB3 H 1 2.992 0.030 . 2 . . . . 34 ASN HB3 . 10247 1 298 . 1 1 34 34 ASN HD21 H 1 7.852 0.030 . 2 . . . . 34 ASN HD21 . 10247 1 299 . 1 1 34 34 ASN HD22 H 1 7.148 0.030 . 2 . . . . 34 ASN HD22 . 10247 1 300 . 1 1 34 34 ASN C C 13 174.946 0.300 . 1 . . . . 34 ASN C . 10247 1 301 . 1 1 34 34 ASN CA C 13 53.922 0.300 . 1 . . . . 34 ASN CA . 10247 1 302 . 1 1 34 34 ASN CB C 13 37.332 0.300 . 1 . . . . 34 ASN CB . 10247 1 303 . 1 1 34 34 ASN ND2 N 15 111.720 0.300 . 1 . . . . 34 ASN ND2 . 10247 1 304 . 1 1 35 35 GLY H H 1 7.896 0.030 . 1 . . . . 35 GLY H . 10247 1 305 . 1 1 35 35 GLY HA2 H 1 3.891 0.030 . 2 . . . . 35 GLY HA2 . 10247 1 306 . 1 1 35 35 GLY HA3 H 1 3.180 0.030 . 2 . . . . 35 GLY HA3 . 10247 1 307 . 1 1 35 35 GLY C C 13 172.892 0.300 . 1 . . . . 35 GLY C . 10247 1 308 . 1 1 35 35 GLY CA C 13 45.290 0.300 . 1 . . . . 35 GLY CA . 10247 1 309 . 1 1 35 35 GLY N N 15 102.630 0.300 . 1 . . . . 35 GLY N . 10247 1 310 . 1 1 36 36 HIS H H 1 7.694 0.030 . 1 . . . . 36 HIS H . 10247 1 311 . 1 1 36 36 HIS HA H 1 4.433 0.030 . 1 . . . . 36 HIS HA . 10247 1 312 . 1 1 36 36 HIS HB2 H 1 3.008 0.030 . 2 . . . . 36 HIS HB2 . 10247 1 313 . 1 1 36 36 HIS HB3 H 1 2.515 0.030 . 2 . . . . 36 HIS HB3 . 10247 1 314 . 1 1 36 36 HIS HD2 H 1 7.145 0.030 . 1 . . . . 36 HIS HD2 . 10247 1 315 . 1 1 36 36 HIS C C 13 172.910 0.300 . 1 . . . . 36 HIS C . 10247 1 316 . 1 1 36 36 HIS CA C 13 54.433 0.300 . 1 . . . . 36 HIS CA . 10247 1 317 . 1 1 36 36 HIS CB C 13 32.464 0.300 . 1 . . . . 36 HIS CB . 10247 1 318 . 1 1 36 36 HIS CD2 C 13 121.324 0.300 . 1 . . . . 36 HIS CD2 . 10247 1 319 . 1 1 36 36 HIS N N 15 119.651 0.300 . 1 . . . . 36 HIS N . 10247 1 320 . 1 1 37 37 PHE H H 1 8.502 0.030 . 1 . . . . 37 PHE H . 10247 1 321 . 1 1 37 37 PHE HA H 1 5.314 0.030 . 1 . . . . 37 PHE HA . 10247 1 322 . 1 1 37 37 PHE HB2 H 1 2.793 0.030 . 2 . . . . 37 PHE HB2 . 10247 1 323 . 1 1 37 37 PHE HB3 H 1 2.593 0.030 . 2 . . . . 37 PHE HB3 . 10247 1 324 . 1 1 37 37 PHE HD1 H 1 7.015 0.030 . 1 . . . . 37 PHE HD1 . 10247 1 325 . 1 1 37 37 PHE HD2 H 1 7.015 0.030 . 1 . . . . 37 PHE HD2 . 10247 1 326 . 1 1 37 37 PHE HE1 H 1 6.860 0.030 . 1 . . . . 37 PHE HE1 . 10247 1 327 . 1 1 37 37 PHE HE2 H 1 6.860 0.030 . 1 . . . . 37 PHE HE2 . 10247 1 328 . 1 1 37 37 PHE HZ H 1 7.246 0.030 . 1 . . . . 37 PHE HZ . 10247 1 329 . 1 1 37 37 PHE C C 13 174.239 0.300 . 1 . . . . 37 PHE C . 10247 1 330 . 1 1 37 37 PHE CA C 13 56.424 0.300 . 1 . . . . 37 PHE CA . 10247 1 331 . 1 1 37 37 PHE CB C 13 41.572 0.300 . 1 . . . . 37 PHE CB . 10247 1 332 . 1 1 37 37 PHE CD1 C 13 131.230 0.300 . 1 . . . . 37 PHE CD1 . 10247 1 333 . 1 1 37 37 PHE CD2 C 13 131.230 0.300 . 1 . . . . 37 PHE CD2 . 10247 1 334 . 1 1 37 37 PHE CE1 C 13 131.769 0.300 . 1 . . . . 37 PHE CE1 . 10247 1 335 . 1 1 37 37 PHE CE2 C 13 131.769 0.300 . 1 . . . . 37 PHE CE2 . 10247 1 336 . 1 1 37 37 PHE CZ C 13 131.383 0.300 . 1 . . . . 37 PHE CZ . 10247 1 337 . 1 1 37 37 PHE N N 15 119.583 0.300 . 1 . . . . 37 PHE N . 10247 1 338 . 1 1 38 38 PHE H H 1 8.664 0.030 . 1 . . . . 38 PHE H . 10247 1 339 . 1 1 38 38 PHE HA H 1 5.866 0.030 . 1 . . . . 38 PHE HA . 10247 1 340 . 1 1 38 38 PHE HB2 H 1 3.312 0.030 . 2 . . . . 38 PHE HB2 . 10247 1 341 . 1 1 38 38 PHE HB3 H 1 2.266 0.030 . 2 . . . . 38 PHE HB3 . 10247 1 342 . 1 1 38 38 PHE HD1 H 1 6.861 0.030 . 1 . . . . 38 PHE HD1 . 10247 1 343 . 1 1 38 38 PHE HD2 H 1 6.861 0.030 . 1 . . . . 38 PHE HD2 . 10247 1 344 . 1 1 38 38 PHE HE1 H 1 7.022 0.030 . 1 . . . . 38 PHE HE1 . 10247 1 345 . 1 1 38 38 PHE HE2 H 1 7.022 0.030 . 1 . . . . 38 PHE HE2 . 10247 1 346 . 1 1 38 38 PHE HZ H 1 7.209 0.030 . 1 . . . . 38 PHE HZ . 10247 1 347 . 1 1 38 38 PHE C C 13 177.496 0.300 . 1 . . . . 38 PHE C . 10247 1 348 . 1 1 38 38 PHE CA C 13 55.296 0.300 . 1 . . . . 38 PHE CA . 10247 1 349 . 1 1 38 38 PHE CB C 13 44.392 0.300 . 1 . . . . 38 PHE CB . 10247 1 350 . 1 1 38 38 PHE CD1 C 13 131.737 0.300 . 1 . . . . 38 PHE CD1 . 10247 1 351 . 1 1 38 38 PHE CD2 C 13 131.737 0.300 . 1 . . . . 38 PHE CD2 . 10247 1 352 . 1 1 38 38 PHE CE1 C 13 131.307 0.300 . 1 . . . . 38 PHE CE1 . 10247 1 353 . 1 1 38 38 PHE CE2 C 13 131.307 0.300 . 1 . . . . 38 PHE CE2 . 10247 1 354 . 1 1 38 38 PHE CZ C 13 129.579 0.300 . 1 . . . . 38 PHE CZ . 10247 1 355 . 1 1 38 38 PHE N N 15 116.719 0.300 . 1 . . . . 38 PHE N . 10247 1 356 . 1 1 39 39 HIS H H 1 8.854 0.030 . 1 . . . . 39 HIS H . 10247 1 357 . 1 1 39 39 HIS HA H 1 4.675 0.030 . 1 . . . . 39 HIS HA . 10247 1 358 . 1 1 39 39 HIS HB2 H 1 3.725 0.030 . 2 . . . . 39 HIS HB2 . 10247 1 359 . 1 1 39 39 HIS HB3 H 1 3.607 0.030 . 2 . . . . 39 HIS HB3 . 10247 1 360 . 1 1 39 39 HIS HD2 H 1 7.341 0.030 . 1 . . . . 39 HIS HD2 . 10247 1 361 . 1 1 39 39 HIS HE1 H 1 7.275 0.030 . 1 . . . . 39 HIS HE1 . 10247 1 362 . 1 1 39 39 HIS C C 13 178.476 0.300 . 1 . . . . 39 HIS C . 10247 1 363 . 1 1 39 39 HIS CA C 13 59.297 0.300 . 1 . . . . 39 HIS CA . 10247 1 364 . 1 1 39 39 HIS CB C 13 30.980 0.300 . 1 . . . . 39 HIS CB . 10247 1 365 . 1 1 39 39 HIS CD2 C 13 119.429 0.300 . 1 . . . . 39 HIS CD2 . 10247 1 366 . 1 1 39 39 HIS CE1 C 13 138.432 0.300 . 1 . . . . 39 HIS CE1 . 10247 1 367 . 1 1 39 39 HIS N N 15 120.015 0.300 . 1 . . . . 39 HIS N . 10247 1 368 . 1 1 40 40 ARG H H 1 9.256 0.030 . 1 . . . . 40 ARG H . 10247 1 369 . 1 1 40 40 ARG HA H 1 3.965 0.030 . 1 . . . . 40 ARG HA . 10247 1 370 . 1 1 40 40 ARG HB2 H 1 1.934 0.030 . 2 . . . . 40 ARG HB2 . 10247 1 371 . 1 1 40 40 ARG HB3 H 1 1.844 0.030 . 2 . . . . 40 ARG HB3 . 10247 1 372 . 1 1 40 40 ARG HD2 H 1 3.197 0.030 . 2 . . . . 40 ARG HD2 . 10247 1 373 . 1 1 40 40 ARG HD3 H 1 3.133 0.030 . 2 . . . . 40 ARG HD3 . 10247 1 374 . 1 1 40 40 ARG HG2 H 1 1.661 0.030 . 1 . . . . 40 ARG HG2 . 10247 1 375 . 1 1 40 40 ARG HG3 H 1 1.661 0.030 . 1 . . . . 40 ARG HG3 . 10247 1 376 . 1 1 40 40 ARG C C 13 179.459 0.300 . 1 . . . . 40 ARG C . 10247 1 377 . 1 1 40 40 ARG CA C 13 60.547 0.300 . 1 . . . . 40 ARG CA . 10247 1 378 . 1 1 40 40 ARG CB C 13 29.598 0.300 . 1 . . . . 40 ARG CB . 10247 1 379 . 1 1 40 40 ARG CD C 13 43.158 0.300 . 1 . . . . 40 ARG CD . 10247 1 380 . 1 1 40 40 ARG CG C 13 27.860 0.300 . 1 . . . . 40 ARG CG . 10247 1 381 . 1 1 40 40 ARG N N 15 126.206 0.300 . 1 . . . . 40 ARG N . 10247 1 382 . 1 1 41 41 SER H H 1 8.643 0.030 . 1 . . . . 41 SER H . 10247 1 383 . 1 1 41 41 SER HA H 1 4.221 0.030 . 1 . . . . 41 SER HA . 10247 1 384 . 1 1 41 41 SER HB2 H 1 4.044 0.030 . 2 . . . . 41 SER HB2 . 10247 1 385 . 1 1 41 41 SER HB3 H 1 3.892 0.030 . 2 . . . . 41 SER HB3 . 10247 1 386 . 1 1 41 41 SER C C 13 175.499 0.300 . 1 . . . . 41 SER C . 10247 1 387 . 1 1 41 41 SER CA C 13 60.160 0.300 . 1 . . . . 41 SER CA . 10247 1 388 . 1 1 41 41 SER CB C 13 62.847 0.300 . 1 . . . . 41 SER CB . 10247 1 389 . 1 1 41 41 SER N N 15 109.970 0.300 . 1 . . . . 41 SER N . 10247 1 390 . 1 1 42 42 CYS H H 1 7.427 0.030 . 1 . . . . 42 CYS H . 10247 1 391 . 1 1 42 42 CYS HA H 1 4.306 0.030 . 1 . . . . 42 CYS HA . 10247 1 392 . 1 1 42 42 CYS HB2 H 1 3.450 0.030 . 2 . . . . 42 CYS HB2 . 10247 1 393 . 1 1 42 42 CYS HB3 H 1 3.163 0.030 . 2 . . . . 42 CYS HB3 . 10247 1 394 . 1 1 42 42 CYS C C 13 174.200 0.300 . 1 . . . . 42 CYS C . 10247 1 395 . 1 1 42 42 CYS CA C 13 61.569 0.300 . 1 . . . . 42 CYS CA . 10247 1 396 . 1 1 42 42 CYS CB C 13 30.945 0.300 . 1 . . . . 42 CYS CB . 10247 1 397 . 1 1 42 42 CYS N N 15 118.020 0.300 . 1 . . . . 42 CYS N . 10247 1 398 . 1 1 43 43 PHE H H 1 7.257 0.030 . 1 . . . . 43 PHE H . 10247 1 399 . 1 1 43 43 PHE HA H 1 4.122 0.030 . 1 . . . . 43 PHE HA . 10247 1 400 . 1 1 43 43 PHE HB2 H 1 3.025 0.030 . 2 . . . . 43 PHE HB2 . 10247 1 401 . 1 1 43 43 PHE HB3 H 1 2.216 0.030 . 2 . . . . 43 PHE HB3 . 10247 1 402 . 1 1 43 43 PHE HD1 H 1 6.089 0.030 . 1 . . . . 43 PHE HD1 . 10247 1 403 . 1 1 43 43 PHE HD2 H 1 6.089 0.030 . 1 . . . . 43 PHE HD2 . 10247 1 404 . 1 1 43 43 PHE HE1 H 1 5.451 0.030 . 1 . . . . 43 PHE HE1 . 10247 1 405 . 1 1 43 43 PHE HE2 H 1 5.451 0.030 . 1 . . . . 43 PHE HE2 . 10247 1 406 . 1 1 43 43 PHE HZ H 1 5.333 0.030 . 1 . . . . 43 PHE HZ . 10247 1 407 . 1 1 43 43 PHE C C 13 172.037 0.300 . 1 . . . . 43 PHE C . 10247 1 408 . 1 1 43 43 PHE CA C 13 57.112 0.300 . 1 . . . . 43 PHE CA . 10247 1 409 . 1 1 43 43 PHE CB C 13 37.448 0.300 . 1 . . . . 43 PHE CB . 10247 1 410 . 1 1 43 43 PHE CD1 C 13 130.977 0.300 . 1 . . . . 43 PHE CD1 . 10247 1 411 . 1 1 43 43 PHE CD2 C 13 130.977 0.300 . 1 . . . . 43 PHE CD2 . 10247 1 412 . 1 1 43 43 PHE CE1 C 13 130.449 0.300 . 1 . . . . 43 PHE CE1 . 10247 1 413 . 1 1 43 43 PHE CE2 C 13 130.449 0.300 . 1 . . . . 43 PHE CE2 . 10247 1 414 . 1 1 43 43 PHE CZ C 13 129.154 0.300 . 1 . . . . 43 PHE CZ . 10247 1 415 . 1 1 43 43 PHE N N 15 122.965 0.300 . 1 . . . . 43 PHE N . 10247 1 416 . 1 1 44 44 ARG H H 1 7.110 0.030 . 1 . . . . 44 ARG H . 10247 1 417 . 1 1 44 44 ARG HA H 1 4.821 0.030 . 1 . . . . 44 ARG HA . 10247 1 418 . 1 1 44 44 ARG HB2 H 1 1.230 0.030 . 2 . . . . 44 ARG HB2 . 10247 1 419 . 1 1 44 44 ARG HB3 H 1 1.164 0.030 . 2 . . . . 44 ARG HB3 . 10247 1 420 . 1 1 44 44 ARG HD2 H 1 3.152 0.030 . 2 . . . . 44 ARG HD2 . 10247 1 421 . 1 1 44 44 ARG HD3 H 1 3.058 0.030 . 2 . . . . 44 ARG HD3 . 10247 1 422 . 1 1 44 44 ARG HG2 H 1 1.207 0.030 . 2 . . . . 44 ARG HG2 . 10247 1 423 . 1 1 44 44 ARG HG3 H 1 1.106 0.030 . 2 . . . . 44 ARG HG3 . 10247 1 424 . 1 1 44 44 ARG C C 13 174.097 0.300 . 1 . . . . 44 ARG C . 10247 1 425 . 1 1 44 44 ARG CA C 13 53.323 0.300 . 1 . . . . 44 ARG CA . 10247 1 426 . 1 1 44 44 ARG CB C 13 34.911 0.300 . 1 . . . . 44 ARG CB . 10247 1 427 . 1 1 44 44 ARG CD C 13 43.623 0.300 . 1 . . . . 44 ARG CD . 10247 1 428 . 1 1 44 44 ARG CG C 13 26.964 0.300 . 1 . . . . 44 ARG CG . 10247 1 429 . 1 1 44 44 ARG N N 15 123.199 0.300 . 1 . . . . 44 ARG N . 10247 1 430 . 1 1 45 45 CYS H H 1 8.580 0.030 . 1 . . . . 45 CYS H . 10247 1 431 . 1 1 45 45 CYS HA H 1 4.055 0.030 . 1 . . . . 45 CYS HA . 10247 1 432 . 1 1 45 45 CYS HB2 H 1 3.491 0.030 . 2 . . . . 45 CYS HB2 . 10247 1 433 . 1 1 45 45 CYS HB3 H 1 3.015 0.030 . 2 . . . . 45 CYS HB3 . 10247 1 434 . 1 1 45 45 CYS C C 13 177.493 0.300 . 1 . . . . 45 CYS C . 10247 1 435 . 1 1 45 45 CYS CA C 13 59.878 0.300 . 1 . . . . 45 CYS CA . 10247 1 436 . 1 1 45 45 CYS CB C 13 32.052 0.300 . 1 . . . . 45 CYS CB . 10247 1 437 . 1 1 45 45 CYS N N 15 121.527 0.300 . 1 . . . . 45 CYS N . 10247 1 438 . 1 1 46 46 HIS H H 1 9.187 0.030 . 1 . . . . 46 HIS H . 10247 1 439 . 1 1 46 46 HIS HA H 1 4.184 0.030 . 1 . . . . 46 HIS HA . 10247 1 440 . 1 1 46 46 HIS HB2 H 1 2.998 0.030 . 2 . . . . 46 HIS HB2 . 10247 1 441 . 1 1 46 46 HIS HB3 H 1 2.254 0.030 . 2 . . . . 46 HIS HB3 . 10247 1 442 . 1 1 46 46 HIS HD2 H 1 6.953 0.030 . 1 . . . . 46 HIS HD2 . 10247 1 443 . 1 1 46 46 HIS C C 13 175.000 0.300 . 1 . . . . 46 HIS C . 10247 1 444 . 1 1 46 46 HIS CA C 13 59.137 0.300 . 1 . . . . 46 HIS CA . 10247 1 445 . 1 1 46 46 HIS CB C 13 29.560 0.300 . 1 . . . . 46 HIS CB . 10247 1 446 . 1 1 46 46 HIS CD2 C 13 120.434 0.300 . 1 . . . . 46 HIS CD2 . 10247 1 447 . 1 1 46 46 HIS N N 15 130.205 0.300 . 1 . . . . 46 HIS N . 10247 1 448 . 1 1 47 47 THR H H 1 8.848 0.030 . 1 . . . . 47 THR H . 10247 1 449 . 1 1 47 47 THR HA H 1 4.134 0.030 . 1 . . . . 47 THR HA . 10247 1 450 . 1 1 47 47 THR HB H 1 3.891 0.030 . 1 . . . . 47 THR HB . 10247 1 451 . 1 1 47 47 THR HG21 H 1 0.787 0.030 . 1 . . . . 47 THR HG2 . 10247 1 452 . 1 1 47 47 THR HG22 H 1 0.787 0.030 . 1 . . . . 47 THR HG2 . 10247 1 453 . 1 1 47 47 THR HG23 H 1 0.787 0.030 . 1 . . . . 47 THR HG2 . 10247 1 454 . 1 1 47 47 THR C C 13 174.926 0.300 . 1 . . . . 47 THR C . 10247 1 455 . 1 1 47 47 THR CA C 13 65.535 0.300 . 1 . . . . 47 THR CA . 10247 1 456 . 1 1 47 47 THR CB C 13 70.010 0.300 . 1 . . . . 47 THR CB . 10247 1 457 . 1 1 47 47 THR CG2 C 13 21.471 0.300 . 1 . . . . 47 THR CG2 . 10247 1 458 . 1 1 47 47 THR N N 15 116.066 0.300 . 1 . . . . 47 THR N . 10247 1 459 . 1 1 48 48 CYS H H 1 8.181 0.030 . 1 . . . . 48 CYS H . 10247 1 460 . 1 1 48 48 CYS HA H 1 4.821 0.030 . 1 . . . . 48 CYS HA . 10247 1 461 . 1 1 48 48 CYS HB2 H 1 3.414 0.030 . 2 . . . . 48 CYS HB2 . 10247 1 462 . 1 1 48 48 CYS HB3 H 1 2.440 0.030 . 2 . . . . 48 CYS HB3 . 10247 1 463 . 1 1 48 48 CYS C C 13 176.004 0.300 . 1 . . . . 48 CYS C . 10247 1 464 . 1 1 48 48 CYS CA C 13 59.050 0.300 . 1 . . . . 48 CYS CA . 10247 1 465 . 1 1 48 48 CYS CB C 13 32.944 0.300 . 1 . . . . 48 CYS CB . 10247 1 466 . 1 1 48 48 CYS N N 15 119.626 0.300 . 1 . . . . 48 CYS N . 10247 1 467 . 1 1 49 49 GLU H H 1 8.081 0.030 . 1 . . . . 49 GLU H . 10247 1 468 . 1 1 49 49 GLU HA H 1 3.865 0.030 . 1 . . . . 49 GLU HA . 10247 1 469 . 1 1 49 49 GLU HB2 H 1 2.347 0.030 . 2 . . . . 49 GLU HB2 . 10247 1 470 . 1 1 49 49 GLU HB3 H 1 2.250 0.030 . 2 . . . . 49 GLU HB3 . 10247 1 471 . 1 1 49 49 GLU HG2 H 1 2.017 0.030 . 1 . . . . 49 GLU HG2 . 10247 1 472 . 1 1 49 49 GLU HG3 H 1 2.017 0.030 . 1 . . . . 49 GLU HG3 . 10247 1 473 . 1 1 49 49 GLU C C 13 174.137 0.300 . 1 . . . . 49 GLU C . 10247 1 474 . 1 1 49 49 GLU CA C 13 58.732 0.300 . 1 . . . . 49 GLU CA . 10247 1 475 . 1 1 49 49 GLU CB C 13 27.345 0.300 . 1 . . . . 49 GLU CB . 10247 1 476 . 1 1 49 49 GLU CG C 13 36.713 0.300 . 1 . . . . 49 GLU CG . 10247 1 477 . 1 1 49 49 GLU N N 15 116.307 0.300 . 1 . . . . 49 GLU N . 10247 1 478 . 1 1 50 50 ALA H H 1 8.498 0.030 . 1 . . . . 50 ALA H . 10247 1 479 . 1 1 50 50 ALA HA H 1 4.388 0.030 . 1 . . . . 50 ALA HA . 10247 1 480 . 1 1 50 50 ALA HB1 H 1 1.513 0.030 . 1 . . . . 50 ALA HB . 10247 1 481 . 1 1 50 50 ALA HB2 H 1 1.513 0.030 . 1 . . . . 50 ALA HB . 10247 1 482 . 1 1 50 50 ALA HB3 H 1 1.513 0.030 . 1 . . . . 50 ALA HB . 10247 1 483 . 1 1 50 50 ALA C C 13 178.362 0.300 . 1 . . . . 50 ALA C . 10247 1 484 . 1 1 50 50 ALA CA C 13 53.111 0.300 . 1 . . . . 50 ALA CA . 10247 1 485 . 1 1 50 50 ALA CB C 13 20.334 0.300 . 1 . . . . 50 ALA CB . 10247 1 486 . 1 1 50 50 ALA N N 15 124.211 0.300 . 1 . . . . 50 ALA N . 10247 1 487 . 1 1 51 51 THR H H 1 8.470 0.030 . 1 . . . . 51 THR H . 10247 1 488 . 1 1 51 51 THR HA H 1 3.811 0.030 . 1 . . . . 51 THR HA . 10247 1 489 . 1 1 51 51 THR HB H 1 3.986 0.030 . 1 . . . . 51 THR HB . 10247 1 490 . 1 1 51 51 THR HG21 H 1 0.979 0.030 . 1 . . . . 51 THR HG2 . 10247 1 491 . 1 1 51 51 THR HG22 H 1 0.979 0.030 . 1 . . . . 51 THR HG2 . 10247 1 492 . 1 1 51 51 THR HG23 H 1 0.979 0.030 . 1 . . . . 51 THR HG2 . 10247 1 493 . 1 1 51 51 THR C C 13 173.931 0.300 . 1 . . . . 51 THR C . 10247 1 494 . 1 1 51 51 THR CA C 13 64.345 0.300 . 1 . . . . 51 THR CA . 10247 1 495 . 1 1 51 51 THR CB C 13 69.428 0.300 . 1 . . . . 51 THR CB . 10247 1 496 . 1 1 51 51 THR CG2 C 13 22.110 0.300 . 1 . . . . 51 THR CG2 . 10247 1 497 . 1 1 51 51 THR N N 15 117.025 0.300 . 1 . . . . 51 THR N . 10247 1 498 . 1 1 52 52 LEU H H 1 7.421 0.030 . 1 . . . . 52 LEU H . 10247 1 499 . 1 1 52 52 LEU HA H 1 4.439 0.030 . 1 . . . . 52 LEU HA . 10247 1 500 . 1 1 52 52 LEU HB2 H 1 0.600 0.030 . 2 . . . . 52 LEU HB2 . 10247 1 501 . 1 1 52 52 LEU HB3 H 1 0.431 0.030 . 2 . . . . 52 LEU HB3 . 10247 1 502 . 1 1 52 52 LEU HD11 H 1 -0.577 0.030 . 1 . . . . 52 LEU HD1 . 10247 1 503 . 1 1 52 52 LEU HD12 H 1 -0.577 0.030 . 1 . . . . 52 LEU HD1 . 10247 1 504 . 1 1 52 52 LEU HD13 H 1 -0.577 0.030 . 1 . . . . 52 LEU HD1 . 10247 1 505 . 1 1 52 52 LEU HD21 H 1 0.615 0.030 . 1 . . . . 52 LEU HD2 . 10247 1 506 . 1 1 52 52 LEU HD22 H 1 0.615 0.030 . 1 . . . . 52 LEU HD2 . 10247 1 507 . 1 1 52 52 LEU HD23 H 1 0.615 0.030 . 1 . . . . 52 LEU HD2 . 10247 1 508 . 1 1 52 52 LEU HG H 1 1.005 0.030 . 1 . . . . 52 LEU HG . 10247 1 509 . 1 1 52 52 LEU C C 13 175.390 0.300 . 1 . . . . 52 LEU C . 10247 1 510 . 1 1 52 52 LEU CA C 13 53.728 0.300 . 1 . . . . 52 LEU CA . 10247 1 511 . 1 1 52 52 LEU CB C 13 42.020 0.300 . 1 . . . . 52 LEU CB . 10247 1 512 . 1 1 52 52 LEU CD1 C 13 24.547 0.300 . 2 . . . . 52 LEU CD1 . 10247 1 513 . 1 1 52 52 LEU CD2 C 13 22.437 0.300 . 2 . . . . 52 LEU CD2 . 10247 1 514 . 1 1 52 52 LEU CG C 13 25.955 0.300 . 1 . . . . 52 LEU CG . 10247 1 515 . 1 1 52 52 LEU N N 15 125.339 0.300 . 1 . . . . 52 LEU N . 10247 1 516 . 1 1 53 53 TRP H H 1 8.089 0.030 . 1 . . . . 53 TRP H . 10247 1 517 . 1 1 53 53 TRP HA H 1 5.148 0.030 . 1 . . . . 53 TRP HA . 10247 1 518 . 1 1 53 53 TRP HB2 H 1 3.461 0.030 . 2 . . . . 53 TRP HB2 . 10247 1 519 . 1 1 53 53 TRP HB3 H 1 3.023 0.030 . 2 . . . . 53 TRP HB3 . 10247 1 520 . 1 1 53 53 TRP HD1 H 1 7.260 0.030 . 1 . . . . 53 TRP HD1 . 10247 1 521 . 1 1 53 53 TRP HE1 H 1 10.076 0.030 . 1 . . . . 53 TRP HE1 . 10247 1 522 . 1 1 53 53 TRP HE3 H 1 7.757 0.030 . 1 . . . . 53 TRP HE3 . 10247 1 523 . 1 1 53 53 TRP HH2 H 1 7.292 0.030 . 1 . . . . 53 TRP HH2 . 10247 1 524 . 1 1 53 53 TRP HZ2 H 1 7.549 0.030 . 1 . . . . 53 TRP HZ2 . 10247 1 525 . 1 1 53 53 TRP HZ3 H 1 7.201 0.030 . 1 . . . . 53 TRP HZ3 . 10247 1 526 . 1 1 53 53 TRP C C 13 173.534 0.300 . 1 . . . . 53 TRP C . 10247 1 527 . 1 1 53 53 TRP CA C 13 54.345 0.300 . 1 . . . . 53 TRP CA . 10247 1 528 . 1 1 53 53 TRP CB C 13 30.134 0.300 . 1 . . . . 53 TRP CB . 10247 1 529 . 1 1 53 53 TRP CD1 C 13 128.511 0.300 . 1 . . . . 53 TRP CD1 . 10247 1 530 . 1 1 53 53 TRP CE3 C 13 120.766 0.300 . 1 . . . . 53 TRP CE3 . 10247 1 531 . 1 1 53 53 TRP CH2 C 13 124.576 0.300 . 1 . . . . 53 TRP CH2 . 10247 1 532 . 1 1 53 53 TRP CZ2 C 13 114.760 0.300 . 1 . . . . 53 TRP CZ2 . 10247 1 533 . 1 1 53 53 TRP CZ3 C 13 122.097 0.300 . 1 . . . . 53 TRP CZ3 . 10247 1 534 . 1 1 53 53 TRP N N 15 120.731 0.300 . 1 . . . . 53 TRP N . 10247 1 535 . 1 1 53 53 TRP NE1 N 15 129.530 0.300 . 1 . . . . 53 TRP NE1 . 10247 1 536 . 1 1 54 54 PRO HA H 1 4.553 0.030 . 1 . . . . 54 PRO HA . 10247 1 537 . 1 1 54 54 PRO HB2 H 1 2.548 0.030 . 2 . . . . 54 PRO HB2 . 10247 1 538 . 1 1 54 54 PRO HB3 H 1 2.093 0.030 . 2 . . . . 54 PRO HB3 . 10247 1 539 . 1 1 54 54 PRO HD2 H 1 4.188 0.030 . 2 . . . . 54 PRO HD2 . 10247 1 540 . 1 1 54 54 PRO HD3 H 1 4.035 0.030 . 2 . . . . 54 PRO HD3 . 10247 1 541 . 1 1 54 54 PRO HG2 H 1 2.389 0.030 . 2 . . . . 54 PRO HG2 . 10247 1 542 . 1 1 54 54 PRO HG3 H 1 2.206 0.030 . 2 . . . . 54 PRO HG3 . 10247 1 543 . 1 1 54 54 PRO CA C 13 64.882 0.300 . 1 . . . . 54 PRO CA . 10247 1 544 . 1 1 54 54 PRO CB C 13 31.969 0.300 . 1 . . . . 54 PRO CB . 10247 1 545 . 1 1 54 54 PRO CD C 13 51.254 0.300 . 1 . . . . 54 PRO CD . 10247 1 546 . 1 1 54 54 PRO CG C 13 28.160 0.300 . 1 . . . . 54 PRO CG . 10247 1 547 . 1 1 55 55 GLY HA2 H 1 4.330 0.030 . 2 . . . . 55 GLY HA2 . 10247 1 548 . 1 1 55 55 GLY HA3 H 1 3.795 0.030 . 2 . . . . 55 GLY HA3 . 10247 1 549 . 1 1 55 55 GLY C C 13 175.195 0.300 . 1 . . . . 55 GLY C . 10247 1 550 . 1 1 55 55 GLY CA C 13 45.586 0.300 . 1 . . . . 55 GLY CA . 10247 1 551 . 1 1 56 56 GLY H H 1 8.653 0.030 . 1 . . . . 56 GLY H . 10247 1 552 . 1 1 56 56 GLY HA2 H 1 4.567 0.030 . 2 . . . . 56 GLY HA2 . 10247 1 553 . 1 1 56 56 GLY HA3 H 1 3.380 0.030 . 2 . . . . 56 GLY HA3 . 10247 1 554 . 1 1 56 56 GLY C C 13 174.377 0.300 . 1 . . . . 56 GLY C . 10247 1 555 . 1 1 56 56 GLY CA C 13 45.237 0.300 . 1 . . . . 56 GLY CA . 10247 1 556 . 1 1 56 56 GLY N N 15 107.803 0.300 . 1 . . . . 56 GLY N . 10247 1 557 . 1 1 57 57 TYR H H 1 7.269 0.030 . 1 . . . . 57 TYR H . 10247 1 558 . 1 1 57 57 TYR HA H 1 5.600 0.030 . 1 . . . . 57 TYR HA . 10247 1 559 . 1 1 57 57 TYR HB2 H 1 2.944 0.030 . 2 . . . . 57 TYR HB2 . 10247 1 560 . 1 1 57 57 TYR HB3 H 1 2.740 0.030 . 2 . . . . 57 TYR HB3 . 10247 1 561 . 1 1 57 57 TYR HD1 H 1 6.964 0.030 . 1 . . . . 57 TYR HD1 . 10247 1 562 . 1 1 57 57 TYR HD2 H 1 6.964 0.030 . 1 . . . . 57 TYR HD2 . 10247 1 563 . 1 1 57 57 TYR HE1 H 1 6.848 0.030 . 1 . . . . 57 TYR HE1 . 10247 1 564 . 1 1 57 57 TYR HE2 H 1 6.848 0.030 . 1 . . . . 57 TYR HE2 . 10247 1 565 . 1 1 57 57 TYR C C 13 173.258 0.300 . 1 . . . . 57 TYR C . 10247 1 566 . 1 1 57 57 TYR CA C 13 55.666 0.300 . 1 . . . . 57 TYR CA . 10247 1 567 . 1 1 57 57 TYR CB C 13 44.451 0.300 . 1 . . . . 57 TYR CB . 10247 1 568 . 1 1 57 57 TYR CD1 C 13 133.877 0.300 . 1 . . . . 57 TYR CD1 . 10247 1 569 . 1 1 57 57 TYR CD2 C 13 133.877 0.300 . 1 . . . . 57 TYR CD2 . 10247 1 570 . 1 1 57 57 TYR CE1 C 13 118.092 0.300 . 1 . . . . 57 TYR CE1 . 10247 1 571 . 1 1 57 57 TYR CE2 C 13 118.092 0.300 . 1 . . . . 57 TYR CE2 . 10247 1 572 . 1 1 57 57 TYR N N 15 116.315 0.300 . 1 . . . . 57 TYR N . 10247 1 573 . 1 1 58 58 GLU H H 1 8.948 0.030 . 1 . . . . 58 GLU H . 10247 1 574 . 1 1 58 58 GLU HA H 1 4.546 0.030 . 1 . . . . 58 GLU HA . 10247 1 575 . 1 1 58 58 GLU HB2 H 1 2.074 0.030 . 2 . . . . 58 GLU HB2 . 10247 1 576 . 1 1 58 58 GLU HB3 H 1 1.858 0.030 . 2 . . . . 58 GLU HB3 . 10247 1 577 . 1 1 58 58 GLU HG2 H 1 2.298 0.030 . 1 . . . . 58 GLU HG2 . 10247 1 578 . 1 1 58 58 GLU HG3 H 1 2.298 0.030 . 1 . . . . 58 GLU HG3 . 10247 1 579 . 1 1 58 58 GLU C C 13 174.242 0.300 . 1 . . . . 58 GLU C . 10247 1 580 . 1 1 58 58 GLU CA C 13 55.790 0.300 . 1 . . . . 58 GLU CA . 10247 1 581 . 1 1 58 58 GLU CB C 13 35.177 0.300 . 1 . . . . 58 GLU CB . 10247 1 582 . 1 1 58 58 GLU CG C 13 36.191 0.300 . 1 . . . . 58 GLU CG . 10247 1 583 . 1 1 58 58 GLU N N 15 117.931 0.300 . 1 . . . . 58 GLU N . 10247 1 584 . 1 1 59 59 GLN H H 1 9.205 0.030 . 1 . . . . 59 GLN H . 10247 1 585 . 1 1 59 59 GLN HA H 1 4.760 0.030 . 1 . . . . 59 GLN HA . 10247 1 586 . 1 1 59 59 GLN HB2 H 1 1.922 0.030 . 2 . . . . 59 GLN HB2 . 10247 1 587 . 1 1 59 59 GLN HB3 H 1 1.410 0.030 . 2 . . . . 59 GLN HB3 . 10247 1 588 . 1 1 59 59 GLN HE21 H 1 7.206 0.030 . 2 . . . . 59 GLN HE21 . 10247 1 589 . 1 1 59 59 GLN HE22 H 1 6.589 0.030 . 2 . . . . 59 GLN HE22 . 10247 1 590 . 1 1 59 59 GLN HG2 H 1 1.620 0.030 . 2 . . . . 59 GLN HG2 . 10247 1 591 . 1 1 59 59 GLN HG3 H 1 1.013 0.030 . 2 . . . . 59 GLN HG3 . 10247 1 592 . 1 1 59 59 GLN C C 13 175.807 0.300 . 1 . . . . 59 GLN C . 10247 1 593 . 1 1 59 59 GLN CA C 13 53.904 0.300 . 1 . . . . 59 GLN CA . 10247 1 594 . 1 1 59 59 GLN CB C 13 29.530 0.300 . 1 . . . . 59 GLN CB . 10247 1 595 . 1 1 59 59 GLN CG C 13 32.687 0.300 . 1 . . . . 59 GLN CG . 10247 1 596 . 1 1 59 59 GLN N N 15 123.928 0.300 . 1 . . . . 59 GLN N . 10247 1 597 . 1 1 59 59 GLN NE2 N 15 110.797 0.300 . 1 . . . . 59 GLN NE2 . 10247 1 598 . 1 1 60 60 HIS H H 1 9.330 0.030 . 1 . . . . 60 HIS H . 10247 1 599 . 1 1 60 60 HIS HA H 1 4.945 0.030 . 1 . . . . 60 HIS HA . 10247 1 600 . 1 1 60 60 HIS HB2 H 1 4.256 0.030 . 2 . . . . 60 HIS HB2 . 10247 1 601 . 1 1 60 60 HIS HB3 H 1 2.977 0.030 . 2 . . . . 60 HIS HB3 . 10247 1 602 . 1 1 60 60 HIS HD2 H 1 7.059 0.030 . 1 . . . . 60 HIS HD2 . 10247 1 603 . 1 1 60 60 HIS HE1 H 1 7.829 0.030 . 1 . . . . 60 HIS HE1 . 10247 1 604 . 1 1 60 60 HIS C C 13 175.428 0.300 . 1 . . . . 60 HIS C . 10247 1 605 . 1 1 60 60 HIS CA C 13 54.556 0.300 . 1 . . . . 60 HIS CA . 10247 1 606 . 1 1 60 60 HIS CB C 13 32.329 0.300 . 1 . . . . 60 HIS CB . 10247 1 607 . 1 1 60 60 HIS CD2 C 13 118.391 0.300 . 1 . . . . 60 HIS CD2 . 10247 1 608 . 1 1 60 60 HIS CE1 C 13 139.475 0.300 . 1 . . . . 60 HIS CE1 . 10247 1 609 . 1 1 60 60 HIS N N 15 131.634 0.300 . 1 . . . . 60 HIS N . 10247 1 610 . 1 1 61 61 PRO HA H 1 4.269 0.030 . 1 . . . . 61 PRO HA . 10247 1 611 . 1 1 61 61 PRO HB2 H 1 2.241 0.030 . 2 . . . . 61 PRO HB2 . 10247 1 612 . 1 1 61 61 PRO HB3 H 1 1.836 0.030 . 2 . . . . 61 PRO HB3 . 10247 1 613 . 1 1 61 61 PRO HD2 H 1 4.031 0.030 . 2 . . . . 61 PRO HD2 . 10247 1 614 . 1 1 61 61 PRO HD3 H 1 3.339 0.030 . 2 . . . . 61 PRO HD3 . 10247 1 615 . 1 1 61 61 PRO HG2 H 1 1.961 0.030 . 2 . . . . 61 PRO HG2 . 10247 1 616 . 1 1 61 61 PRO HG3 H 1 1.851 0.030 . 2 . . . . 61 PRO HG3 . 10247 1 617 . 1 1 61 61 PRO CA C 13 64.043 0.300 . 1 . . . . 61 PRO CA . 10247 1 618 . 1 1 61 61 PRO CB C 13 31.752 0.300 . 1 . . . . 61 PRO CB . 10247 1 619 . 1 1 61 61 PRO CD C 13 50.937 0.300 . 1 . . . . 61 PRO CD . 10247 1 620 . 1 1 61 61 PRO CG C 13 27.252 0.300 . 1 . . . . 61 PRO CG . 10247 1 621 . 1 1 62 62 GLY H H 1 7.210 0.030 . 1 . . . . 62 GLY H . 10247 1 622 . 1 1 62 62 GLY HA2 H 1 3.928 0.030 . 2 . . . . 62 GLY HA2 . 10247 1 623 . 1 1 62 62 GLY HA3 H 1 3.666 0.030 . 2 . . . . 62 GLY HA3 . 10247 1 624 . 1 1 62 62 GLY CA C 13 46.610 0.300 . 1 . . . . 62 GLY CA . 10247 1 625 . 1 1 62 62 GLY N N 15 105.065 0.300 . 1 . . . . 62 GLY N . 10247 1 626 . 1 1 63 63 ASP H H 1 8.237 0.030 . 1 . . . . 63 ASP H . 10247 1 627 . 1 1 63 63 ASP HA H 1 4.648 0.030 . 1 . . . . 63 ASP HA . 10247 1 628 . 1 1 63 63 ASP HB2 H 1 2.878 0.030 . 2 . . . . 63 ASP HB2 . 10247 1 629 . 1 1 63 63 ASP HB3 H 1 2.574 0.030 . 2 . . . . 63 ASP HB3 . 10247 1 630 . 1 1 63 63 ASP C C 13 177.303 0.300 . 1 . . . . 63 ASP C . 10247 1 631 . 1 1 63 63 ASP CA C 13 53.182 0.300 . 1 . . . . 63 ASP CA . 10247 1 632 . 1 1 63 63 ASP CB C 13 42.216 0.300 . 1 . . . . 63 ASP CB . 10247 1 633 . 1 1 63 63 ASP N N 15 118.685 0.300 . 1 . . . . 63 ASP N . 10247 1 634 . 1 1 64 64 GLY H H 1 8.315 0.030 . 1 . . . . 64 GLY H . 10247 1 635 . 1 1 64 64 GLY HA2 H 1 3.900 0.030 . 2 . . . . 64 GLY HA2 . 10247 1 636 . 1 1 64 64 GLY HA3 H 1 3.635 0.030 . 2 . . . . 64 GLY HA3 . 10247 1 637 . 1 1 64 64 GLY C C 13 174.457 0.300 . 1 . . . . 64 GLY C . 10247 1 638 . 1 1 64 64 GLY CA C 13 46.004 0.300 . 1 . . . . 64 GLY CA . 10247 1 639 . 1 1 64 64 GLY N N 15 109.742 0.300 . 1 . . . . 64 GLY N . 10247 1 640 . 1 1 65 65 HIS H H 1 9.101 0.030 . 1 . . . . 65 HIS H . 10247 1 641 . 1 1 65 65 HIS HA H 1 4.675 0.030 . 1 . . . . 65 HIS HA . 10247 1 642 . 1 1 65 65 HIS HB2 H 1 3.030 0.030 . 2 . . . . 65 HIS HB2 . 10247 1 643 . 1 1 65 65 HIS HB3 H 1 2.307 0.030 . 2 . . . . 65 HIS HB3 . 10247 1 644 . 1 1 65 65 HIS HD2 H 1 6.454 0.030 . 1 . . . . 65 HIS HD2 . 10247 1 645 . 1 1 65 65 HIS C C 13 173.603 0.300 . 1 . . . . 65 HIS C . 10247 1 646 . 1 1 65 65 HIS CA C 13 55.208 0.300 . 1 . . . . 65 HIS CA . 10247 1 647 . 1 1 65 65 HIS CB C 13 30.321 0.300 . 1 . . . . 65 HIS CB . 10247 1 648 . 1 1 65 65 HIS CD2 C 13 119.156 0.300 . 1 . . . . 65 HIS CD2 . 10247 1 649 . 1 1 65 65 HIS N N 15 121.111 0.300 . 1 . . . . 65 HIS N . 10247 1 650 . 1 1 66 66 PHE H H 1 8.841 0.030 . 1 . . . . 66 PHE H . 10247 1 651 . 1 1 66 66 PHE HA H 1 5.005 0.030 . 1 . . . . 66 PHE HA . 10247 1 652 . 1 1 66 66 PHE HB2 H 1 2.603 0.030 . 2 . . . . 66 PHE HB2 . 10247 1 653 . 1 1 66 66 PHE HB3 H 1 2.288 0.030 . 2 . . . . 66 PHE HB3 . 10247 1 654 . 1 1 66 66 PHE HD1 H 1 7.165 0.030 . 1 . . . . 66 PHE HD1 . 10247 1 655 . 1 1 66 66 PHE HD2 H 1 7.165 0.030 . 1 . . . . 66 PHE HD2 . 10247 1 656 . 1 1 66 66 PHE HE1 H 1 7.323 0.030 . 1 . . . . 66 PHE HE1 . 10247 1 657 . 1 1 66 66 PHE HE2 H 1 7.323 0.030 . 1 . . . . 66 PHE HE2 . 10247 1 658 . 1 1 66 66 PHE HZ H 1 7.183 0.030 . 1 . . . . 66 PHE HZ . 10247 1 659 . 1 1 66 66 PHE C C 13 174.272 0.300 . 1 . . . . 66 PHE C . 10247 1 660 . 1 1 66 66 PHE CA C 13 57.904 0.300 . 1 . . . . 66 PHE CA . 10247 1 661 . 1 1 66 66 PHE CB C 13 40.990 0.300 . 1 . . . . 66 PHE CB . 10247 1 662 . 1 1 66 66 PHE CD1 C 13 131.501 0.300 . 1 . . . . 66 PHE CD1 . 10247 1 663 . 1 1 66 66 PHE CD2 C 13 131.501 0.300 . 1 . . . . 66 PHE CD2 . 10247 1 664 . 1 1 66 66 PHE CE1 C 13 131.523 0.300 . 1 . . . . 66 PHE CE1 . 10247 1 665 . 1 1 66 66 PHE CE2 C 13 131.523 0.300 . 1 . . . . 66 PHE CE2 . 10247 1 666 . 1 1 66 66 PHE CZ C 13 129.914 0.300 . 1 . . . . 66 PHE CZ . 10247 1 667 . 1 1 66 66 PHE N N 15 118.465 0.300 . 1 . . . . 66 PHE N . 10247 1 668 . 1 1 67 67 TYR H H 1 8.714 0.030 . 1 . . . . 67 TYR H . 10247 1 669 . 1 1 67 67 TYR HA H 1 5.676 0.030 . 1 . . . . 67 TYR HA . 10247 1 670 . 1 1 67 67 TYR HB2 H 1 3.371 0.030 . 2 . . . . 67 TYR HB2 . 10247 1 671 . 1 1 67 67 TYR HB3 H 1 2.670 0.030 . 2 . . . . 67 TYR HB3 . 10247 1 672 . 1 1 67 67 TYR HD1 H 1 7.225 0.030 . 1 . . . . 67 TYR HD1 . 10247 1 673 . 1 1 67 67 TYR HD2 H 1 7.225 0.030 . 1 . . . . 67 TYR HD2 . 10247 1 674 . 1 1 67 67 TYR HE1 H 1 7.272 0.030 . 1 . . . . 67 TYR HE1 . 10247 1 675 . 1 1 67 67 TYR HE2 H 1 7.272 0.030 . 1 . . . . 67 TYR HE2 . 10247 1 676 . 1 1 67 67 TYR C C 13 176.345 0.300 . 1 . . . . 67 TYR C . 10247 1 677 . 1 1 67 67 TYR CA C 13 56.829 0.300 . 1 . . . . 67 TYR CA . 10247 1 678 . 1 1 67 67 TYR CB C 13 43.668 0.300 . 1 . . . . 67 TYR CB . 10247 1 679 . 1 1 67 67 TYR CD1 C 13 134.593 0.300 . 1 . . . . 67 TYR CD1 . 10247 1 680 . 1 1 67 67 TYR CD2 C 13 134.593 0.300 . 1 . . . . 67 TYR CD2 . 10247 1 681 . 1 1 67 67 TYR CE1 C 13 118.999 0.300 . 1 . . . . 67 TYR CE1 . 10247 1 682 . 1 1 67 67 TYR CE2 C 13 118.999 0.300 . 1 . . . . 67 TYR CE2 . 10247 1 683 . 1 1 67 67 TYR N N 15 117.828 0.300 . 1 . . . . 67 TYR N . 10247 1 684 . 1 1 68 68 CYS H H 1 9.524 0.030 . 1 . . . . 68 CYS H . 10247 1 685 . 1 1 68 68 CYS HA H 1 5.152 0.030 . 1 . . . . 68 CYS HA . 10247 1 686 . 1 1 68 68 CYS HB2 H 1 3.388 0.030 . 2 . . . . 68 CYS HB2 . 10247 1 687 . 1 1 68 68 CYS HB3 H 1 2.973 0.030 . 2 . . . . 68 CYS HB3 . 10247 1 688 . 1 1 68 68 CYS C C 13 176.563 0.300 . 1 . . . . 68 CYS C . 10247 1 689 . 1 1 68 68 CYS CA C 13 58.468 0.300 . 1 . . . . 68 CYS CA . 10247 1 690 . 1 1 68 68 CYS CB C 13 29.373 0.300 . 1 . . . . 68 CYS CB . 10247 1 691 . 1 1 68 68 CYS N N 15 120.631 0.300 . 1 . . . . 68 CYS N . 10247 1 692 . 1 1 69 69 LEU H H 1 7.630 0.030 . 1 . . . . 69 LEU H . 10247 1 693 . 1 1 69 69 LEU HA H 1 3.952 0.030 . 1 . . . . 69 LEU HA . 10247 1 694 . 1 1 69 69 LEU HB2 H 1 1.798 0.030 . 2 . . . . 69 LEU HB2 . 10247 1 695 . 1 1 69 69 LEU HB3 H 1 1.512 0.030 . 2 . . . . 69 LEU HB3 . 10247 1 696 . 1 1 69 69 LEU HD11 H 1 1.025 0.030 . 1 . . . . 69 LEU HD1 . 10247 1 697 . 1 1 69 69 LEU HD12 H 1 1.025 0.030 . 1 . . . . 69 LEU HD1 . 10247 1 698 . 1 1 69 69 LEU HD13 H 1 1.025 0.030 . 1 . . . . 69 LEU HD1 . 10247 1 699 . 1 1 69 69 LEU HD21 H 1 0.763 0.030 . 1 . . . . 69 LEU HD2 . 10247 1 700 . 1 1 69 69 LEU HD22 H 1 0.763 0.030 . 1 . . . . 69 LEU HD2 . 10247 1 701 . 1 1 69 69 LEU HD23 H 1 0.763 0.030 . 1 . . . . 69 LEU HD2 . 10247 1 702 . 1 1 69 69 LEU HG H 1 1.498 0.030 . 1 . . . . 69 LEU HG . 10247 1 703 . 1 1 69 69 LEU C C 13 179.373 0.300 . 1 . . . . 69 LEU C . 10247 1 704 . 1 1 69 69 LEU CA C 13 58.080 0.300 . 1 . . . . 69 LEU CA . 10247 1 705 . 1 1 69 69 LEU CB C 13 40.125 0.300 . 1 . . . . 69 LEU CB . 10247 1 706 . 1 1 69 69 LEU CD1 C 13 25.166 0.300 . 2 . . . . 69 LEU CD1 . 10247 1 707 . 1 1 69 69 LEU CD2 C 13 21.681 0.300 . 2 . . . . 69 LEU CD2 . 10247 1 708 . 1 1 69 69 LEU CG C 13 27.320 0.300 . 1 . . . . 69 LEU CG . 10247 1 709 . 1 1 69 69 LEU N N 15 117.279 0.300 . 1 . . . . 69 LEU N . 10247 1 710 . 1 1 70 70 GLN H H 1 8.159 0.030 . 1 . . . . 70 GLN H . 10247 1 711 . 1 1 70 70 GLN HA H 1 4.106 0.030 . 1 . . . . 70 GLN HA . 10247 1 712 . 1 1 70 70 GLN HB2 H 1 1.676 0.030 . 2 . . . . 70 GLN HB2 . 10247 1 713 . 1 1 70 70 GLN HB3 H 1 1.572 0.030 . 2 . . . . 70 GLN HB3 . 10247 1 714 . 1 1 70 70 GLN HE21 H 1 7.423 0.030 . 2 . . . . 70 GLN HE21 . 10247 1 715 . 1 1 70 70 GLN HE22 H 1 6.842 0.030 . 2 . . . . 70 GLN HE22 . 10247 1 716 . 1 1 70 70 GLN HG2 H 1 2.118 0.030 . 2 . . . . 70 GLN HG2 . 10247 1 717 . 1 1 70 70 GLN HG3 H 1 1.980 0.030 . 2 . . . . 70 GLN HG3 . 10247 1 718 . 1 1 70 70 GLN C C 13 177.094 0.300 . 1 . . . . 70 GLN C . 10247 1 719 . 1 1 70 70 GLN CA C 13 57.781 0.300 . 1 . . . . 70 GLN CA . 10247 1 720 . 1 1 70 70 GLN CB C 13 28.537 0.300 . 1 . . . . 70 GLN CB . 10247 1 721 . 1 1 70 70 GLN CG C 13 33.664 0.300 . 1 . . . . 70 GLN CG . 10247 1 722 . 1 1 70 70 GLN N N 15 115.749 0.300 . 1 . . . . 70 GLN N . 10247 1 723 . 1 1 70 70 GLN NE2 N 15 112.069 0.300 . 1 . . . . 70 GLN NE2 . 10247 1 724 . 1 1 71 71 HIS H H 1 7.651 0.030 . 1 . . . . 71 HIS H . 10247 1 725 . 1 1 71 71 HIS HA H 1 4.917 0.030 . 1 . . . . 71 HIS HA . 10247 1 726 . 1 1 71 71 HIS HB2 H 1 3.712 0.030 . 2 . . . . 71 HIS HB2 . 10247 1 727 . 1 1 71 71 HIS HB3 H 1 3.205 0.030 . 2 . . . . 71 HIS HB3 . 10247 1 728 . 1 1 71 71 HIS HD2 H 1 7.319 0.030 . 1 . . . . 71 HIS HD2 . 10247 1 729 . 1 1 71 71 HIS HE1 H 1 7.897 0.030 . 1 . . . . 71 HIS HE1 . 10247 1 730 . 1 1 71 71 HIS C C 13 173.431 0.300 . 1 . . . . 71 HIS C . 10247 1 731 . 1 1 71 71 HIS CA C 13 56.142 0.300 . 1 . . . . 71 HIS CA . 10247 1 732 . 1 1 71 71 HIS CB C 13 33.010 0.300 . 1 . . . . 71 HIS CB . 10247 1 733 . 1 1 71 71 HIS CD2 C 13 118.364 0.300 . 1 . . . . 71 HIS CD2 . 10247 1 734 . 1 1 71 71 HIS CE1 C 13 139.392 0.300 . 1 . . . . 71 HIS CE1 . 10247 1 735 . 1 1 71 71 HIS N N 15 116.846 0.300 . 1 . . . . 71 HIS N . 10247 1 736 . 1 1 72 72 LEU H H 1 7.154 0.030 . 1 . . . . 72 LEU H . 10247 1 737 . 1 1 72 72 LEU HA H 1 3.772 0.030 . 1 . . . . 72 LEU HA . 10247 1 738 . 1 1 72 72 LEU HB2 H 1 1.711 0.030 . 2 . . . . 72 LEU HB2 . 10247 1 739 . 1 1 72 72 LEU HB3 H 1 1.397 0.030 . 2 . . . . 72 LEU HB3 . 10247 1 740 . 1 1 72 72 LEU HD11 H 1 0.962 0.030 . 1 . . . . 72 LEU HD1 . 10247 1 741 . 1 1 72 72 LEU HD12 H 1 0.962 0.030 . 1 . . . . 72 LEU HD1 . 10247 1 742 . 1 1 72 72 LEU HD13 H 1 0.962 0.030 . 1 . . . . 72 LEU HD1 . 10247 1 743 . 1 1 72 72 LEU HD21 H 1 0.882 0.030 . 1 . . . . 72 LEU HD2 . 10247 1 744 . 1 1 72 72 LEU HD22 H 1 0.882 0.030 . 1 . . . . 72 LEU HD2 . 10247 1 745 . 1 1 72 72 LEU HD23 H 1 0.882 0.030 . 1 . . . . 72 LEU HD2 . 10247 1 746 . 1 1 72 72 LEU HG H 1 1.709 0.030 . 1 . . . . 72 LEU HG . 10247 1 747 . 1 1 72 72 LEU C C 13 174.748 0.300 . 1 . . . . 72 LEU C . 10247 1 748 . 1 1 72 72 LEU CA C 13 53.499 0.300 . 1 . . . . 72 LEU CA . 10247 1 749 . 1 1 72 72 LEU CB C 13 42.729 0.300 . 1 . . . . 72 LEU CB . 10247 1 750 . 1 1 72 72 LEU CD1 C 13 24.624 0.300 . 2 . . . . 72 LEU CD1 . 10247 1 751 . 1 1 72 72 LEU CD2 C 13 25.938 0.300 . 2 . . . . 72 LEU CD2 . 10247 1 752 . 1 1 72 72 LEU CG C 13 26.145 0.300 . 1 . . . . 72 LEU CG . 10247 1 753 . 1 1 72 72 LEU N N 15 124.029 0.300 . 1 . . . . 72 LEU N . 10247 1 754 . 1 1 73 73 PRO HA H 1 4.145 0.030 . 1 . . . . 73 PRO HA . 10247 1 755 . 1 1 73 73 PRO HB2 H 1 2.080 0.030 . 2 . . . . 73 PRO HB2 . 10247 1 756 . 1 1 73 73 PRO HB3 H 1 1.189 0.030 . 2 . . . . 73 PRO HB3 . 10247 1 757 . 1 1 73 73 PRO HD2 H 1 2.565 0.030 . 2 . . . . 73 PRO HD2 . 10247 1 758 . 1 1 73 73 PRO HD3 H 1 2.399 0.030 . 2 . . . . 73 PRO HD3 . 10247 1 759 . 1 1 73 73 PRO HG2 H 1 1.320 0.030 . 2 . . . . 73 PRO HG2 . 10247 1 760 . 1 1 73 73 PRO HG3 H 1 1.193 0.030 . 2 . . . . 73 PRO HG3 . 10247 1 761 . 1 1 73 73 PRO C C 13 175.785 0.300 . 1 . . . . 73 PRO C . 10247 1 762 . 1 1 73 73 PRO CA C 13 63.050 0.300 . 1 . . . . 73 PRO CA . 10247 1 763 . 1 1 73 73 PRO CB C 13 32.055 0.300 . 1 . . . . 73 PRO CB . 10247 1 764 . 1 1 73 73 PRO CD C 13 50.719 0.300 . 1 . . . . 73 PRO CD . 10247 1 765 . 1 1 73 73 PRO CG C 13 27.650 0.300 . 1 . . . . 73 PRO CG . 10247 1 766 . 1 1 74 74 GLN H H 1 8.359 0.030 . 1 . . . . 74 GLN H . 10247 1 767 . 1 1 74 74 GLN HA H 1 4.386 0.030 . 1 . . . . 74 GLN HA . 10247 1 768 . 1 1 74 74 GLN HB2 H 1 2.148 0.030 . 2 . . . . 74 GLN HB2 . 10247 1 769 . 1 1 74 74 GLN HB3 H 1 1.959 0.030 . 2 . . . . 74 GLN HB3 . 10247 1 770 . 1 1 74 74 GLN HE21 H 1 7.571 0.030 . 2 . . . . 74 GLN HE21 . 10247 1 771 . 1 1 74 74 GLN HE22 H 1 6.848 0.030 . 2 . . . . 74 GLN HE22 . 10247 1 772 . 1 1 74 74 GLN HG2 H 1 2.402 0.030 . 1 . . . . 74 GLN HG2 . 10247 1 773 . 1 1 74 74 GLN HG3 H 1 2.402 0.030 . 1 . . . . 74 GLN HG3 . 10247 1 774 . 1 1 74 74 GLN C C 13 176.731 0.300 . 1 . . . . 74 GLN C . 10247 1 775 . 1 1 74 74 GLN CA C 13 55.526 0.300 . 1 . . . . 74 GLN CA . 10247 1 776 . 1 1 74 74 GLN CB C 13 29.817 0.300 . 1 . . . . 74 GLN CB . 10247 1 777 . 1 1 74 74 GLN CG C 13 33.758 0.300 . 1 . . . . 74 GLN CG . 10247 1 778 . 1 1 74 74 GLN N N 15 120.467 0.300 . 1 . . . . 74 GLN N . 10247 1 779 . 1 1 74 74 GLN NE2 N 15 112.960 0.300 . 1 . . . . 74 GLN NE2 . 10247 1 780 . 1 1 75 75 THR H H 1 8.368 0.030 . 1 . . . . 75 THR H . 10247 1 781 . 1 1 75 75 THR HA H 1 4.390 0.030 . 1 . . . . 75 THR HA . 10247 1 782 . 1 1 75 75 THR HB H 1 4.221 0.030 . 1 . . . . 75 THR HB . 10247 1 783 . 1 1 75 75 THR HG21 H 1 1.201 0.030 . 1 . . . . 75 THR HG2 . 10247 1 784 . 1 1 75 75 THR HG22 H 1 1.201 0.030 . 1 . . . . 75 THR HG2 . 10247 1 785 . 1 1 75 75 THR HG23 H 1 1.201 0.030 . 1 . . . . 75 THR HG2 . 10247 1 786 . 1 1 75 75 THR C C 13 174.257 0.300 . 1 . . . . 75 THR C . 10247 1 787 . 1 1 75 75 THR CA C 13 61.993 0.300 . 1 . . . . 75 THR CA . 10247 1 788 . 1 1 75 75 THR CB C 13 69.991 0.300 . 1 . . . . 75 THR CB . 10247 1 789 . 1 1 75 75 THR CG2 C 13 21.641 0.300 . 1 . . . . 75 THR CG2 . 10247 1 790 . 1 1 75 75 THR N N 15 116.318 0.300 . 1 . . . . 75 THR N . 10247 1 791 . 1 1 76 76 ASP H H 1 8.528 0.030 . 1 . . . . 76 ASP H . 10247 1 792 . 1 1 76 76 ASP HA H 1 4.700 0.030 . 1 . . . . 76 ASP HA . 10247 1 793 . 1 1 76 76 ASP HB2 H 1 2.747 0.030 . 2 . . . . 76 ASP HB2 . 10247 1 794 . 1 1 76 76 ASP HB3 H 1 2.687 0.030 . 2 . . . . 76 ASP HB3 . 10247 1 795 . 1 1 76 76 ASP C C 13 176.200 0.300 . 1 . . . . 76 ASP C . 10247 1 796 . 1 1 76 76 ASP CA C 13 54.363 0.300 . 1 . . . . 76 ASP CA . 10247 1 797 . 1 1 76 76 ASP CB C 13 41.362 0.300 . 1 . . . . 76 ASP CB . 10247 1 798 . 1 1 76 76 ASP N N 15 123.204 0.300 . 1 . . . . 76 ASP N . 10247 1 799 . 1 1 77 77 SER H H 1 8.346 0.030 . 1 . . . . 77 SER H . 10247 1 800 . 1 1 77 77 SER HA H 1 4.497 0.030 . 1 . . . . 77 SER HA . 10247 1 801 . 1 1 77 77 SER HB2 H 1 3.901 0.030 . 1 . . . . 77 SER HB2 . 10247 1 802 . 1 1 77 77 SER HB3 H 1 3.901 0.030 . 1 . . . . 77 SER HB3 . 10247 1 803 . 1 1 77 77 SER C C 13 174.724 0.300 . 1 . . . . 77 SER C . 10247 1 804 . 1 1 77 77 SER CA C 13 58.451 0.300 . 1 . . . . 77 SER CA . 10247 1 805 . 1 1 77 77 SER CB C 13 64.101 0.300 . 1 . . . . 77 SER CB . 10247 1 806 . 1 1 77 77 SER N N 15 116.515 0.300 . 1 . . . . 77 SER N . 10247 1 807 . 1 1 78 78 GLY H H 1 8.330 0.030 . 1 . . . . 78 GLY H . 10247 1 808 . 1 1 78 78 GLY HA2 H 1 4.135 0.030 . 1 . . . . 78 GLY HA2 . 10247 1 809 . 1 1 78 78 GLY HA3 H 1 4.135 0.030 . 1 . . . . 78 GLY HA3 . 10247 1 810 . 1 1 78 78 GLY C C 13 171.883 0.300 . 1 . . . . 78 GLY C . 10247 1 811 . 1 1 78 78 GLY CA C 13 44.745 0.300 . 1 . . . . 78 GLY CA . 10247 1 812 . 1 1 78 78 GLY N N 15 110.837 0.300 . 1 . . . . 78 GLY N . 10247 1 813 . 1 1 79 79 PRO HA H 1 4.501 0.030 . 1 . . . . 79 PRO HA . 10247 1 814 . 1 1 79 79 PRO HB2 H 1 2.318 0.030 . 2 . . . . 79 PRO HB2 . 10247 1 815 . 1 1 79 79 PRO HB3 H 1 1.993 0.030 . 2 . . . . 79 PRO HB3 . 10247 1 816 . 1 1 79 79 PRO HD2 H 1 3.651 0.030 . 1 . . . . 79 PRO HD2 . 10247 1 817 . 1 1 79 79 PRO HD3 H 1 3.651 0.030 . 1 . . . . 79 PRO HD3 . 10247 1 818 . 1 1 79 79 PRO HG2 H 1 2.039 0.030 . 1 . . . . 79 PRO HG2 . 10247 1 819 . 1 1 79 79 PRO HG3 H 1 2.039 0.030 . 1 . . . . 79 PRO HG3 . 10247 1 820 . 1 1 79 79 PRO C C 13 177.463 0.300 . 1 . . . . 79 PRO C . 10247 1 821 . 1 1 79 79 PRO CA C 13 63.332 0.300 . 1 . . . . 79 PRO CA . 10247 1 822 . 1 1 79 79 PRO CB C 13 32.229 0.300 . 1 . . . . 79 PRO CB . 10247 1 823 . 1 1 79 79 PRO CD C 13 49.851 0.300 . 1 . . . . 79 PRO CD . 10247 1 824 . 1 1 79 79 PRO CG C 13 27.198 0.300 . 1 . . . . 79 PRO CG . 10247 1 825 . 1 1 80 80 SER H H 1 8.531 0.030 . 1 . . . . 80 SER H . 10247 1 826 . 1 1 80 80 SER HA H 1 4.521 0.030 . 1 . . . . 80 SER HA . 10247 1 827 . 1 1 80 80 SER HB2 H 1 3.925 0.030 . 1 . . . . 80 SER HB2 . 10247 1 828 . 1 1 80 80 SER HB3 H 1 3.925 0.030 . 1 . . . . 80 SER HB3 . 10247 1 829 . 1 1 80 80 SER C C 13 174.760 0.300 . 1 . . . . 80 SER C . 10247 1 830 . 1 1 80 80 SER CA C 13 58.398 0.300 . 1 . . . . 80 SER CA . 10247 1 831 . 1 1 80 80 SER CB C 13 63.978 0.300 . 1 . . . . 80 SER CB . 10247 1 832 . 1 1 80 80 SER N N 15 116.479 0.300 . 1 . . . . 80 SER N . 10247 1 833 . 1 1 81 81 SER H H 1 8.358 0.030 . 1 . . . . 81 SER H . 10247 1 834 . 1 1 81 81 SER HA H 1 4.530 0.030 . 1 . . . . 81 SER HA . 10247 1 835 . 1 1 81 81 SER HB2 H 1 3.901 0.030 . 1 . . . . 81 SER HB2 . 10247 1 836 . 1 1 81 81 SER HB3 H 1 3.901 0.030 . 1 . . . . 81 SER HB3 . 10247 1 837 . 1 1 81 81 SER C C 13 173.982 0.300 . 1 . . . . 81 SER C . 10247 1 838 . 1 1 81 81 SER CA C 13 58.416 0.300 . 1 . . . . 81 SER CA . 10247 1 839 . 1 1 81 81 SER CB C 13 64.082 0.300 . 1 . . . . 81 SER CB . 10247 1 840 . 1 1 81 81 SER N N 15 117.964 0.300 . 1 . . . . 81 SER N . 10247 1 841 . 1 1 82 82 GLY H H 1 8.061 0.030 . 1 . . . . 82 GLY H . 10247 1 842 . 1 1 82 82 GLY C C 13 179.094 0.300 . 1 . . . . 82 GLY C . 10247 1 843 . 1 1 82 82 GLY CA C 13 46.168 0.300 . 1 . . . . 82 GLY CA . 10247 1 844 . 1 1 82 82 GLY N N 15 116.916 0.300 . 1 . . . . 82 GLY N . 10247 1 stop_ save_