data_11354 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11354 _Entry.Title ; Solution structure of PHD domain in ING1-like protein BAC25079 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-07 _Entry.Accession_date 2010-09-07 _Entry.Last_release_date 2011-09-07 _Entry.Original_release_date 2011-09-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 F. He . . . 11354 2 Y. Muto . . . 11354 3 M. Inoue . . . 11354 4 T. Kigawa . . . 11354 5 M. Shirouzu . . . 11354 6 T. Terada . . . 11354 7 S. Yokoyama . . . 11354 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11354 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11354 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 287 11354 '15N chemical shifts' 65 11354 '1H chemical shifts' 422 11354 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 . . 2011-09-07 2010-09-07 original author . 11354 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WEN 'BMRB Entry Tracking System' 11354 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11354 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of PHD domain in ING1-like protein BAC25079' _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 F. He . . . 11354 1 2 Y. Muto . . . 11354 1 3 M. Inoue . . . 11354 1 4 T. Kigawa . . . 11354 1 5 M. Shirouzu . . . 11354 1 6 T. Terada . . . 11354 1 7 S. Yokoyama . . . 11354 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11354 _Assembly.ID 1 _Assembly.Name 'inhibitor of growth family, member 4 ING1-like protein' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PHD domain' 1 $entity_1 A . yes native no no . . . 11354 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11354 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11354 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 'PHD domain' 1 CYS 46 46 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 46 CYS SG . . . . ZN 11354 1 2 coordination single . 1 'PHD domain' 1 CYS 19 19 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 19 CYS SG . . . . ZN 11354 1 3 coordination single . 1 'PHD domain' 1 HIS 43 43 ND1 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 43 HIS ND1 . . . . ZN 11354 1 4 coordination single . 1 'PHD domain' 1 CYS 21 21 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11354 1 5 coordination single . 1 'PHD domain' 1 CYS 37 37 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 37 CYS SG . . . . ZN 11354 1 6 coordination single . 1 'PHD domain' 1 CYS 32 32 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 32 CYS SG . . . . ZN 11354 1 7 coordination single . 1 'PHD domain' 1 CYS 59 59 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 59 CYS SG . . . . ZN 11354 1 8 coordination single . 1 'PHD domain' 1 CYS 62 62 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 62 CYS SG . . . . ZN 11354 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 59 59 HG . 59 CYS HG 11354 1 . . 1 1 CYS 62 62 HG . 62 CYS HG 11354 1 . . 1 1 CYS 37 37 HG . 37 CYS HG 11354 1 . . 1 1 CYS 32 32 HG . 32 CYS HG 11354 1 . . 1 1 HIS 43 43 HD1 . 43 HIS HD1 11354 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11354 1 . . 1 1 CYS 46 46 HG . 46 CYS HG 11354 1 . . 1 1 CYS 19 19 HG . 19 CYS HG 11354 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1wen . . . . . . 11354 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11354 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PHD domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGDMPVDPNEPTYCL CHQVSYGEMIGCDNPDCSIE WFHFACVGLTTKPRGKWFCP RCSQESGPSSG ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all 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 1WEN . "Solution Structure Of Phd Domain In Ing1-Like Protein Bac25079" . . . . . 100.00 71 100.00 100.00 5.79e-44 . . . . 11354 1 2 no PDB 1WEU . "Solution Structure Of Phd Domain In Ing1-Like Protein Bac25009" . . . . . 90.14 91 100.00 100.00 5.47e-40 . . . . 11354 1 3 no PDB 2K1J . "Plan Homeodomain Finger Of Tumour Supressor Ing4" . . . . . 83.10 63 98.31 98.31 4.77e-36 . . . . 11354 1 4 no PDB 2PNX . "The Phd Finger Of Ing4 In Complex With An H3k4me3 Histone Peptide" . . . . . 73.24 55 100.00 100.00 5.86e-31 . . . . 11354 1 5 no PDB 2VNF . "Molecular Basis Of Histone H3k4me3 Recognition By Ing4" . . . . . 81.69 60 100.00 100.00 8.97e-36 . . . . 11354 1 6 no DBJ BAB26183 . "unnamed protein product [Mus musculus]" . . . . . 81.69 248 100.00 100.00 1.34e-39 . . . . 11354 1 7 no DBJ BAC27489 . "unnamed protein product [Mus musculus]" . . . . . 81.69 249 100.00 100.00 1.58e-39 . . . . 11354 1 8 no DBJ BAC34304 . "unnamed protein product [Mus musculus]" . . . . . 81.69 248 100.00 100.00 1.34e-39 . . . . 11354 1 9 no DBJ BAF30477 . "ING4 exon 4-5 boundary 3 bp skip variant [Homo sapiens]" . . . . . 81.69 248 100.00 100.00 1.54e-39 . . . . 11354 1 10 no DBJ BAF30478 . "ING4 exon 4-5 boundary 9 bp skip variant [Homo sapiens]" . . . . . 81.69 246 100.00 100.00 1.47e-39 . . . . 11354 1 11 no EMBL CAF97848 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 70.42 224 98.00 98.00 1.87e-31 . . . . 11354 1 12 no EMBL CAG31609 . "hypothetical protein RCJMB04_8l5 [Gallus gallus]" . . . . . 81.69 249 100.00 100.00 5.96e-40 . . . . 11354 1 13 no GB AAD48585 . "candidate tumor suppressor p33 ING1 homolog [Homo sapiens]" . . . . . 81.69 249 100.00 100.00 1.43e-39 . . . . 11354 1 14 no GB AAH07781 . "Inhibitor of growth family, member 4 [Homo sapiens]" . . . . . 81.69 249 100.00 100.00 1.43e-39 . . . . 11354 1 15 no GB AAH09127 . "Inhibitor of growth family, member 4 [Mus musculus]" . . . . . 81.69 248 100.00 100.00 1.34e-39 . . . . 11354 1 16 no GB AAH13038 . "ING4 protein, partial [Homo sapiens]" . . . . . 81.69 243 100.00 100.00 1.54e-39 . . . . 11354 1 17 no GB AAH95434 . "Inhibitor of growth family, member 4 [Homo sapiens]" . . . . . 81.69 248 100.00 100.00 1.54e-39 . . . . 11354 1 18 no REF NP_001006251 . "inhibitor of growth protein 4 [Gallus gallus]" . . . . . 81.69 249 100.00 100.00 5.96e-40 . . . . 11354 1 19 no REF NP_001030466 . "inhibitor of growth protein 4 [Bos taurus]" . . . . . 81.69 248 98.28 98.28 1.00e-37 . . . . 11354 1 20 no REF NP_001073356 . "inhibitor of growth protein 4 [Rattus norvegicus]" . . . . . 81.69 245 100.00 100.00 1.30e-39 . . . . 11354 1 21 no REF NP_001121054 . "inhibitor of growth protein 4 isoform 9 [Homo sapiens]" . . . . . 81.69 249 100.00 100.00 1.43e-39 . . . . 11354 1 22 no REF NP_001121055 . "inhibitor of growth protein 4 isoform 3 [Homo sapiens]" . . . . . 81.69 246 100.00 100.00 1.47e-39 . . . . 11354 1 23 no SP Q3T095 . "RecName: Full=Inhibitor of growth protein 4; AltName: Full=p29ING4" . . . . . 81.69 248 98.28 98.28 1.00e-37 . . . . 11354 1 24 no SP Q5ZKY4 . "RecName: Full=Inhibitor of growth protein 4; AltName: Full=p29ING4" . . . . . 81.69 249 100.00 100.00 5.96e-40 . . . . 11354 1 25 no SP Q8C0D7 . "RecName: Full=Inhibitor of growth protein 4; AltName: Full=p29ING4" . . . . . 81.69 249 100.00 100.00 1.33e-39 . . . . 11354 1 26 no SP Q9UNL4 . "RecName: Full=Inhibitor of growth protein 4; AltName: Full=p29ING4" . . . . . 81.69 249 100.00 100.00 1.43e-39 . . . . 11354 1 27 no TPG DAA29237 . "TPA: inhibitor of growth protein 4 [Bos taurus]" . . . . . 81.69 248 100.00 100.00 1.59e-39 . . . . 11354 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PHD domain' . 11354 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 . 11354 1 2 . SER . 11354 1 3 . SER . 11354 1 4 . GLY . 11354 1 5 . SER . 11354 1 6 . SER . 11354 1 7 . GLY . 11354 1 8 . ASP . 11354 1 9 . MET . 11354 1 10 . PRO . 11354 1 11 . VAL . 11354 1 12 . ASP . 11354 1 13 . PRO . 11354 1 14 . ASN . 11354 1 15 . GLU . 11354 1 16 . PRO . 11354 1 17 . THR . 11354 1 18 . TYR . 11354 1 19 . CYS . 11354 1 20 . LEU . 11354 1 21 . CYS . 11354 1 22 . HIS . 11354 1 23 . GLN . 11354 1 24 . VAL . 11354 1 25 . SER . 11354 1 26 . TYR . 11354 1 27 . GLY . 11354 1 28 . GLU . 11354 1 29 . MET . 11354 1 30 . ILE . 11354 1 31 . GLY . 11354 1 32 . CYS . 11354 1 33 . ASP . 11354 1 34 . ASN . 11354 1 35 . PRO . 11354 1 36 . ASP . 11354 1 37 . CYS . 11354 1 38 . SER . 11354 1 39 . ILE . 11354 1 40 . GLU . 11354 1 41 . TRP . 11354 1 42 . PHE . 11354 1 43 . HIS . 11354 1 44 . PHE . 11354 1 45 . ALA . 11354 1 46 . CYS . 11354 1 47 . VAL . 11354 1 48 . GLY . 11354 1 49 . LEU . 11354 1 50 . THR . 11354 1 51 . THR . 11354 1 52 . LYS . 11354 1 53 . PRO . 11354 1 54 . ARG . 11354 1 55 . GLY . 11354 1 56 . LYS . 11354 1 57 . TRP . 11354 1 58 . PHE . 11354 1 59 . CYS . 11354 1 60 . PRO . 11354 1 61 . ARG . 11354 1 62 . CYS . 11354 1 63 . SER . 11354 1 64 . GLN . 11354 1 65 . GLU . 11354 1 66 . SER . 11354 1 67 . GLY . 11354 1 68 . PRO . 11354 1 69 . SER . 11354 1 70 . SER . 11354 1 71 . GLY . 11354 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 11354 1 . SER 2 2 11354 1 . SER 3 3 11354 1 . GLY 4 4 11354 1 . SER 5 5 11354 1 . SER 6 6 11354 1 . GLY 7 7 11354 1 . ASP 8 8 11354 1 . MET 9 9 11354 1 . PRO 10 10 11354 1 . VAL 11 11 11354 1 . ASP 12 12 11354 1 . PRO 13 13 11354 1 . ASN 14 14 11354 1 . GLU 15 15 11354 1 . PRO 16 16 11354 1 . THR 17 17 11354 1 . TYR 18 18 11354 1 . CYS 19 19 11354 1 . LEU 20 20 11354 1 . CYS 21 21 11354 1 . HIS 22 22 11354 1 . GLN 23 23 11354 1 . VAL 24 24 11354 1 . SER 25 25 11354 1 . TYR 26 26 11354 1 . GLY 27 27 11354 1 . GLU 28 28 11354 1 . MET 29 29 11354 1 . ILE 30 30 11354 1 . GLY 31 31 11354 1 . CYS 32 32 11354 1 . ASP 33 33 11354 1 . ASN 34 34 11354 1 . PRO 35 35 11354 1 . ASP 36 36 11354 1 . CYS 37 37 11354 1 . SER 38 38 11354 1 . ILE 39 39 11354 1 . GLU 40 40 11354 1 . TRP 41 41 11354 1 . PHE 42 42 11354 1 . HIS 43 43 11354 1 . PHE 44 44 11354 1 . ALA 45 45 11354 1 . CYS 46 46 11354 1 . VAL 47 47 11354 1 . GLY 48 48 11354 1 . LEU 49 49 11354 1 . THR 50 50 11354 1 . THR 51 51 11354 1 . LYS 52 52 11354 1 . PRO 53 53 11354 1 . ARG 54 54 11354 1 . GLY 55 55 11354 1 . LYS 56 56 11354 1 . TRP 57 57 11354 1 . PHE 58 58 11354 1 . CYS 59 59 11354 1 . PRO 60 60 11354 1 . ARG 61 61 11354 1 . CYS 62 62 11354 1 . SER 63 63 11354 1 . GLN 64 64 11354 1 . GLU 65 65 11354 1 . SER 66 66 11354 1 . GLY 67 67 11354 1 . PRO 68 68 11354 1 . SER 69 69 11354 1 . SER 70 70 11354 1 . GLY 71 71 11354 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11354 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 11354 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 11354 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11354 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 11354 _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' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P030408-71 . . . . . . 11354 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 11354 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _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 1.02b 11354 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11354 ZN [Zn++] SMILES CACTVS 3.341 11354 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11354 ZN [Zn+2] SMILES ACDLabs 10.04 11354 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11354 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11354 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 11354 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11354 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11354 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11354 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.8mM U-15, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 0.1mM {ZnCl2;} 1mM {d-TDD;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PHD domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.8 . . mM . . . . 11354 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11354 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11354 1 4 ZnCl2 'natural abundance' . . . . . salt 0.1 . . mM . . . . 11354 1 5 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11354 1 6 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11354 1 7 H2O . . . . . . solvent 90 . . % . . . . 11354 1 8 D2O . . . . . . solvent 10 . . % . . . . 11354 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 11354 _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 11354 1 pH 7.0 0.05 pH 11354 1 pressure 1 0.001 atm 11354 1 temperature 293 0.1 K 11354 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11354 _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 . . 11354 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11354 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11354 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11354 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11354 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11354 _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.' . . 11354 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11354 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11354 _Software.ID 4 _Software.Name Kujira _Software.Version 0.863 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cobayashi, N.' . . 11354 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11354 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11354 _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 'Guntert, P.' . . 11354 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11354 5 'structure solution' 11354 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 11354 _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 11354 _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 . . . 11354 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 11354 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11354 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11354 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 11354 _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 . . . . . . . . . 11354 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11354 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11354 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 11354 _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 15N-separated NOESY' 1 $sample_1 isotropic 11354 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11354 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11354 1 2 $NMRPipe . . 11354 1 3 $NMRView . . 11354 1 4 $Kujira . . 11354 1 5 $CYANA . . 11354 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 3 3 SER HA H 1 4.523 0.030 . 1 . . . . 3 SER HA . 11354 1 2 . 1 1 3 3 SER HB2 H 1 3.924 0.030 . 1 . . . . 3 SER HB2 . 11354 1 3 . 1 1 3 3 SER HB3 H 1 3.924 0.030 . 1 . . . . 3 SER HB3 . 11354 1 4 . 1 1 3 3 SER C C 13 173.975 0.300 . 1 . . . . 3 SER C . 11354 1 5 . 1 1 3 3 SER CA C 13 58.417 0.300 . 1 . . . . 3 SER CA . 11354 1 6 . 1 1 3 3 SER CB C 13 64.288 0.300 . 1 . . . . 3 SER CB . 11354 1 7 . 1 1 4 4 GLY H H 1 8.074 0.030 . 1 . . . . 4 GLY H . 11354 1 8 . 1 1 4 4 GLY HA2 H 1 3.823 0.030 . 1 . . . . 4 GLY HA2 . 11354 1 9 . 1 1 4 4 GLY HA3 H 1 3.823 0.030 . 1 . . . . 4 GLY HA3 . 11354 1 10 . 1 1 4 4 GLY C C 13 179.021 0.300 . 1 . . . . 4 GLY C . 11354 1 11 . 1 1 4 4 GLY CA C 13 46.297 0.300 . 1 . . . . 4 GLY CA . 11354 1 12 . 1 1 4 4 GLY N N 15 116.889 0.300 . 1 . . . . 4 GLY N . 11354 1 13 . 1 1 6 6 SER HA H 1 4.495 0.030 . 1 . . . . 6 SER HA . 11354 1 14 . 1 1 6 6 SER HB2 H 1 3.933 0.030 . 1 . . . . 6 SER HB2 . 11354 1 15 . 1 1 6 6 SER HB3 H 1 3.933 0.030 . 1 . . . . 6 SER HB3 . 11354 1 16 . 1 1 6 6 SER C C 13 175.037 0.300 . 1 . . . . 6 SER C . 11354 1 17 . 1 1 6 6 SER CA C 13 58.745 0.300 . 1 . . . . 6 SER CA . 11354 1 18 . 1 1 6 6 SER CB C 13 63.795 0.300 . 1 . . . . 6 SER CB . 11354 1 19 . 1 1 7 7 GLY H H 1 8.401 0.030 . 1 . . . . 7 GLY H . 11354 1 20 . 1 1 7 7 GLY HA2 H 1 3.998 0.030 . 1 . . . . 7 GLY HA2 . 11354 1 21 . 1 1 7 7 GLY HA3 H 1 3.998 0.030 . 1 . . . . 7 GLY HA3 . 11354 1 22 . 1 1 7 7 GLY C C 13 173.826 0.300 . 1 . . . . 7 GLY C . 11354 1 23 . 1 1 7 7 GLY CA C 13 45.389 0.300 . 1 . . . . 7 GLY CA . 11354 1 24 . 1 1 7 7 GLY N N 15 110.743 0.300 . 1 . . . . 7 GLY N . 11354 1 25 . 1 1 8 8 ASP H H 1 8.225 0.030 . 1 . . . . 8 ASP H . 11354 1 26 . 1 1 8 8 ASP HA H 1 4.640 0.030 . 1 . . . . 8 ASP HA . 11354 1 27 . 1 1 8 8 ASP HB2 H 1 2.720 0.030 . 2 . . . . 8 ASP HB2 . 11354 1 28 . 1 1 8 8 ASP HB3 H 1 2.617 0.030 . 2 . . . . 8 ASP HB3 . 11354 1 29 . 1 1 8 8 ASP C C 13 175.966 0.300 . 1 . . . . 8 ASP C . 11354 1 30 . 1 1 8 8 ASP CA C 13 54.427 0.300 . 1 . . . . 8 ASP CA . 11354 1 31 . 1 1 8 8 ASP CB C 13 41.236 0.300 . 1 . . . . 8 ASP CB . 11354 1 32 . 1 1 8 8 ASP N N 15 120.228 0.300 . 1 . . . . 8 ASP N . 11354 1 33 . 1 1 9 9 MET H H 1 8.223 0.030 . 1 . . . . 9 MET H . 11354 1 34 . 1 1 9 9 MET HA H 1 4.850 0.030 . 1 . . . . 9 MET HA . 11354 1 35 . 1 1 9 9 MET HB2 H 1 2.084 0.030 . 2 . . . . 9 MET HB2 . 11354 1 36 . 1 1 9 9 MET HB3 H 1 1.982 0.030 . 2 . . . . 9 MET HB3 . 11354 1 37 . 1 1 9 9 MET HE1 H 1 2.130 0.030 . 1 . . . . 9 MET HE . 11354 1 38 . 1 1 9 9 MET HE2 H 1 2.130 0.030 . 1 . . . . 9 MET HE . 11354 1 39 . 1 1 9 9 MET HE3 H 1 2.130 0.030 . 1 . . . . 9 MET HE . 11354 1 40 . 1 1 9 9 MET HG2 H 1 2.563 0.030 . 2 . . . . 9 MET HG2 . 11354 1 41 . 1 1 9 9 MET HG3 H 1 2.643 0.030 . 2 . . . . 9 MET HG3 . 11354 1 42 . 1 1 9 9 MET C C 13 174.055 0.300 . 1 . . . . 9 MET C . 11354 1 43 . 1 1 9 9 MET CA C 13 53.381 0.300 . 1 . . . . 9 MET CA . 11354 1 44 . 1 1 9 9 MET CB C 13 32.643 0.300 . 1 . . . . 9 MET CB . 11354 1 45 . 1 1 9 9 MET CE C 13 17.150 0.300 . 1 . . . . 9 MET CE . 11354 1 46 . 1 1 9 9 MET CG C 13 32.066 0.300 . 1 . . . . 9 MET CG . 11354 1 47 . 1 1 9 9 MET N N 15 121.601 0.300 . 1 . . . . 9 MET N . 11354 1 48 . 1 1 10 10 PRO HA H 1 4.495 0.030 . 1 . . . . 10 PRO HA . 11354 1 49 . 1 1 10 10 PRO HB2 H 1 2.296 0.030 . 2 . . . . 10 PRO HB2 . 11354 1 50 . 1 1 10 10 PRO HB3 H 1 1.908 0.030 . 2 . . . . 10 PRO HB3 . 11354 1 51 . 1 1 10 10 PRO HD2 H 1 3.712 0.030 . 2 . . . . 10 PRO HD2 . 11354 1 52 . 1 1 10 10 PRO HD3 H 1 3.852 0.030 . 2 . . . . 10 PRO HD3 . 11354 1 53 . 1 1 10 10 PRO HG2 H 1 2.054 0.030 . 1 . . . . 10 PRO HG2 . 11354 1 54 . 1 1 10 10 PRO HG3 H 1 2.054 0.030 . 1 . . . . 10 PRO HG3 . 11354 1 55 . 1 1 10 10 PRO C C 13 176.690 0.300 . 1 . . . . 10 PRO C . 11354 1 56 . 1 1 10 10 PRO CA C 13 62.924 0.300 . 1 . . . . 10 PRO CA . 11354 1 57 . 1 1 10 10 PRO CB C 13 32.079 0.300 . 1 . . . . 10 PRO CB . 11354 1 58 . 1 1 10 10 PRO CD C 13 50.729 0.300 . 1 . . . . 10 PRO CD . 11354 1 59 . 1 1 10 10 PRO CG C 13 27.528 0.300 . 1 . . . . 10 PRO CG . 11354 1 60 . 1 1 11 11 VAL H H 1 8.261 0.030 . 1 . . . . 11 VAL H . 11354 1 61 . 1 1 11 11 VAL HA H 1 4.092 0.030 . 1 . . . . 11 VAL HA . 11354 1 62 . 1 1 11 11 VAL HB H 1 2.048 0.030 . 1 . . . . 11 VAL HB . 11354 1 63 . 1 1 11 11 VAL HG11 H 1 0.942 0.030 . 1 . . . . 11 VAL HG1 . 11354 1 64 . 1 1 11 11 VAL HG12 H 1 0.942 0.030 . 1 . . . . 11 VAL HG1 . 11354 1 65 . 1 1 11 11 VAL HG13 H 1 0.942 0.030 . 1 . . . . 11 VAL HG1 . 11354 1 66 . 1 1 11 11 VAL HG21 H 1 0.988 0.030 . 1 . . . . 11 VAL HG2 . 11354 1 67 . 1 1 11 11 VAL HG22 H 1 0.988 0.030 . 1 . . . . 11 VAL HG2 . 11354 1 68 . 1 1 11 11 VAL HG23 H 1 0.988 0.030 . 1 . . . . 11 VAL HG2 . 11354 1 69 . 1 1 11 11 VAL C C 13 175.731 0.300 . 1 . . . . 11 VAL C . 11354 1 70 . 1 1 11 11 VAL CA C 13 62.067 0.300 . 1 . . . . 11 VAL CA . 11354 1 71 . 1 1 11 11 VAL CB C 13 33.159 0.300 . 1 . . . . 11 VAL CB . 11354 1 72 . 1 1 11 11 VAL CG1 C 13 21.225 0.300 . 2 . . . . 11 VAL CG1 . 11354 1 73 . 1 1 11 11 VAL CG2 C 13 20.749 0.300 . 2 . . . . 11 VAL CG2 . 11354 1 74 . 1 1 11 11 VAL N N 15 120.811 0.300 . 1 . . . . 11 VAL N . 11354 1 75 . 1 1 12 12 ASP H H 1 8.585 0.030 . 1 . . . . 12 ASP H . 11354 1 76 . 1 1 12 12 ASP HA H 1 4.931 0.030 . 1 . . . . 12 ASP HA . 11354 1 77 . 1 1 12 12 ASP HB2 H 1 2.886 0.030 . 2 . . . . 12 ASP HB2 . 11354 1 78 . 1 1 12 12 ASP HB3 H 1 2.623 0.030 . 2 . . . . 12 ASP HB3 . 11354 1 79 . 1 1 12 12 ASP C C 13 175.270 0.300 . 1 . . . . 12 ASP C . 11354 1 80 . 1 1 12 12 ASP CA C 13 51.816 0.300 . 1 . . . . 12 ASP CA . 11354 1 81 . 1 1 12 12 ASP CB C 13 41.684 0.300 . 1 . . . . 12 ASP CB . 11354 1 82 . 1 1 12 12 ASP N N 15 126.428 0.300 . 1 . . . . 12 ASP N . 11354 1 83 . 1 1 13 13 PRO HA H 1 4.450 0.030 . 1 . . . . 13 PRO HA . 11354 1 84 . 1 1 13 13 PRO HB2 H 1 2.315 0.030 . 2 . . . . 13 PRO HB2 . 11354 1 85 . 1 1 13 13 PRO HB3 H 1 2.001 0.030 . 2 . . . . 13 PRO HB3 . 11354 1 86 . 1 1 13 13 PRO HD2 H 1 3.928 0.030 . 1 . . . . 13 PRO HD2 . 11354 1 87 . 1 1 13 13 PRO HD3 H 1 3.928 0.030 . 1 . . . . 13 PRO HD3 . 11354 1 88 . 1 1 13 13 PRO HG2 H 1 2.017 0.030 . 1 . . . . 13 PRO HG2 . 11354 1 89 . 1 1 13 13 PRO HG3 H 1 2.017 0.030 . 1 . . . . 13 PRO HG3 . 11354 1 90 . 1 1 13 13 PRO C C 13 176.842 0.300 . 1 . . . . 13 PRO C . 11354 1 91 . 1 1 13 13 PRO CA C 13 63.683 0.300 . 1 . . . . 13 PRO CA . 11354 1 92 . 1 1 13 13 PRO CB C 13 32.244 0.300 . 1 . . . . 13 PRO CB . 11354 1 93 . 1 1 13 13 PRO CD C 13 51.018 0.300 . 1 . . . . 13 PRO CD . 11354 1 94 . 1 1 13 13 PRO CG C 13 26.948 0.300 . 1 . . . . 13 PRO CG . 11354 1 95 . 1 1 14 14 ASN H H 1 8.571 0.030 . 1 . . . . 14 ASN H . 11354 1 96 . 1 1 14 14 ASN HA H 1 4.730 0.030 . 1 . . . . 14 ASN HA . 11354 1 97 . 1 1 14 14 ASN HB2 H 1 2.861 0.030 . 2 . . . . 14 ASN HB2 . 11354 1 98 . 1 1 14 14 ASN HB3 H 1 2.766 0.030 . 2 . . . . 14 ASN HB3 . 11354 1 99 . 1 1 14 14 ASN HD21 H 1 7.832 0.030 . 2 . . . . 14 ASN HD21 . 11354 1 100 . 1 1 14 14 ASN HD22 H 1 6.955 0.030 . 2 . . . . 14 ASN HD22 . 11354 1 101 . 1 1 14 14 ASN C C 13 174.911 0.300 . 1 . . . . 14 ASN C . 11354 1 102 . 1 1 14 14 ASN CA C 13 53.317 0.300 . 1 . . . . 14 ASN CA . 11354 1 103 . 1 1 14 14 ASN CB C 13 39.138 0.300 . 1 . . . . 14 ASN CB . 11354 1 104 . 1 1 14 14 ASN N N 15 117.453 0.300 . 1 . . . . 14 ASN N . 11354 1 105 . 1 1 14 14 ASN ND2 N 15 114.389 0.300 . 1 . . . . 14 ASN ND2 . 11354 1 106 . 1 1 15 15 GLU H H 1 7.861 0.030 . 1 . . . . 15 GLU H . 11354 1 107 . 1 1 15 15 GLU HA H 1 4.579 0.030 . 1 . . . . 15 GLU HA . 11354 1 108 . 1 1 15 15 GLU HB2 H 1 2.062 0.030 . 2 . . . . 15 GLU HB2 . 11354 1 109 . 1 1 15 15 GLU HB3 H 1 2.013 0.030 . 2 . . . . 15 GLU HB3 . 11354 1 110 . 1 1 15 15 GLU HG2 H 1 2.377 0.030 . 1 . . . . 15 GLU HG2 . 11354 1 111 . 1 1 15 15 GLU HG3 H 1 2.377 0.030 . 1 . . . . 15 GLU HG3 . 11354 1 112 . 1 1 15 15 GLU C C 13 174.010 0.300 . 1 . . . . 15 GLU C . 11354 1 113 . 1 1 15 15 GLU CA C 13 54.535 0.300 . 1 . . . . 15 GLU CA . 11354 1 114 . 1 1 15 15 GLU CB C 13 30.179 0.300 . 1 . . . . 15 GLU CB . 11354 1 115 . 1 1 15 15 GLU CG C 13 35.965 0.300 . 1 . . . . 15 GLU CG . 11354 1 116 . 1 1 15 15 GLU N N 15 122.756 0.300 . 1 . . . . 15 GLU N . 11354 1 117 . 1 1 16 16 PRO HA H 1 4.334 0.030 . 1 . . . . 16 PRO HA . 11354 1 118 . 1 1 16 16 PRO HB2 H 1 2.136 0.030 . 2 . . . . 16 PRO HB2 . 11354 1 119 . 1 1 16 16 PRO HB3 H 1 1.611 0.030 . 2 . . . . 16 PRO HB3 . 11354 1 120 . 1 1 16 16 PRO HD2 H 1 3.731 0.030 . 2 . . . . 16 PRO HD2 . 11354 1 121 . 1 1 16 16 PRO HD3 H 1 3.857 0.030 . 2 . . . . 16 PRO HD3 . 11354 1 122 . 1 1 16 16 PRO HG2 H 1 2.109 0.030 . 2 . . . . 16 PRO HG2 . 11354 1 123 . 1 1 16 16 PRO HG3 H 1 2.035 0.030 . 2 . . . . 16 PRO HG3 . 11354 1 124 . 1 1 16 16 PRO C C 13 175.310 0.300 . 1 . . . . 16 PRO C . 11354 1 125 . 1 1 16 16 PRO CA C 13 63.088 0.300 . 1 . . . . 16 PRO CA . 11354 1 126 . 1 1 16 16 PRO CB C 13 32.226 0.300 . 1 . . . . 16 PRO CB . 11354 1 127 . 1 1 16 16 PRO CD C 13 50.922 0.300 . 1 . . . . 16 PRO CD . 11354 1 128 . 1 1 16 16 PRO CG C 13 27.625 0.300 . 1 . . . . 16 PRO CG . 11354 1 129 . 1 1 17 17 THR H H 1 7.558 0.030 . 1 . . . . 17 THR H . 11354 1 130 . 1 1 17 17 THR HA H 1 4.169 0.030 . 1 . . . . 17 THR HA . 11354 1 131 . 1 1 17 17 THR HB H 1 3.718 0.030 . 1 . . . . 17 THR HB . 11354 1 132 . 1 1 17 17 THR HG21 H 1 1.053 0.030 . 1 . . . . 17 THR HG2 . 11354 1 133 . 1 1 17 17 THR HG22 H 1 1.053 0.030 . 1 . . . . 17 THR HG2 . 11354 1 134 . 1 1 17 17 THR HG23 H 1 1.053 0.030 . 1 . . . . 17 THR HG2 . 11354 1 135 . 1 1 17 17 THR C C 13 172.968 0.300 . 1 . . . . 17 THR C . 11354 1 136 . 1 1 17 17 THR CA C 13 59.628 0.300 . 1 . . . . 17 THR CA . 11354 1 137 . 1 1 17 17 THR CB C 13 71.534 0.300 . 1 . . . . 17 THR CB . 11354 1 138 . 1 1 17 17 THR CG2 C 13 21.859 0.300 . 1 . . . . 17 THR CG2 . 11354 1 139 . 1 1 17 17 THR N N 15 108.961 0.300 . 1 . . . . 17 THR N . 11354 1 140 . 1 1 18 18 TYR H H 1 8.305 0.030 . 1 . . . . 18 TYR H . 11354 1 141 . 1 1 18 18 TYR HA H 1 5.160 0.030 . 1 . . . . 18 TYR HA . 11354 1 142 . 1 1 18 18 TYR HB2 H 1 3.167 0.030 . 2 . . . . 18 TYR HB2 . 11354 1 143 . 1 1 18 18 TYR HB3 H 1 2.051 0.030 . 2 . . . . 18 TYR HB3 . 11354 1 144 . 1 1 18 18 TYR HD1 H 1 7.141 0.030 . 1 . . . . 18 TYR HD1 . 11354 1 145 . 1 1 18 18 TYR HD2 H 1 7.141 0.030 . 1 . . . . 18 TYR HD2 . 11354 1 146 . 1 1 18 18 TYR HE1 H 1 6.839 0.030 . 1 . . . . 18 TYR HE1 . 11354 1 147 . 1 1 18 18 TYR HE2 H 1 6.839 0.030 . 1 . . . . 18 TYR HE2 . 11354 1 148 . 1 1 18 18 TYR C C 13 174.266 0.300 . 1 . . . . 18 TYR C . 11354 1 149 . 1 1 18 18 TYR CA C 13 57.225 0.300 . 1 . . . . 18 TYR CA . 11354 1 150 . 1 1 18 18 TYR CB C 13 43.663 0.300 . 1 . . . . 18 TYR CB . 11354 1 151 . 1 1 18 18 TYR CD1 C 13 133.352 0.300 . 1 . . . . 18 TYR CD1 . 11354 1 152 . 1 1 18 18 TYR CD2 C 13 133.352 0.300 . 1 . . . . 18 TYR CD2 . 11354 1 153 . 1 1 18 18 TYR CE1 C 13 118.098 0.300 . 1 . . . . 18 TYR CE1 . 11354 1 154 . 1 1 18 18 TYR CE2 C 13 118.098 0.300 . 1 . . . . 18 TYR CE2 . 11354 1 155 . 1 1 18 18 TYR N N 15 118.136 0.300 . 1 . . . . 18 TYR N . 11354 1 156 . 1 1 19 19 CYS H H 1 7.155 0.030 . 1 . . . . 19 CYS H . 11354 1 157 . 1 1 19 19 CYS HA H 1 3.726 0.030 . 1 . . . . 19 CYS HA . 11354 1 158 . 1 1 19 19 CYS HB2 H 1 4.715 0.030 . 2 . . . . 19 CYS HB2 . 11354 1 159 . 1 1 19 19 CYS HB3 H 1 2.419 0.030 . 2 . . . . 19 CYS HB3 . 11354 1 160 . 1 1 19 19 CYS C C 13 175.169 0.300 . 1 . . . . 19 CYS C . 11354 1 161 . 1 1 19 19 CYS CA C 13 59.532 0.300 . 1 . . . . 19 CYS CA . 11354 1 162 . 1 1 19 19 CYS CB C 13 30.378 0.300 . 1 . . . . 19 CYS CB . 11354 1 163 . 1 1 19 19 CYS N N 15 115.458 0.300 . 1 . . . . 19 CYS N . 11354 1 164 . 1 1 20 20 LEU H H 1 9.911 0.030 . 1 . . . . 20 LEU H . 11354 1 165 . 1 1 20 20 LEU HA H 1 4.331 0.030 . 1 . . . . 20 LEU HA . 11354 1 166 . 1 1 20 20 LEU HB2 H 1 2.040 0.030 . 2 . . . . 20 LEU HB2 . 11354 1 167 . 1 1 20 20 LEU HB3 H 1 1.898 0.030 . 2 . . . . 20 LEU HB3 . 11354 1 168 . 1 1 20 20 LEU HD11 H 1 1.188 0.030 . 1 . . . . 20 LEU HD1 . 11354 1 169 . 1 1 20 20 LEU HD12 H 1 1.188 0.030 . 1 . . . . 20 LEU HD1 . 11354 1 170 . 1 1 20 20 LEU HD13 H 1 1.188 0.030 . 1 . . . . 20 LEU HD1 . 11354 1 171 . 1 1 20 20 LEU HD21 H 1 1.200 0.030 . 1 . . . . 20 LEU HD2 . 11354 1 172 . 1 1 20 20 LEU HD22 H 1 1.200 0.030 . 1 . . . . 20 LEU HD2 . 11354 1 173 . 1 1 20 20 LEU HD23 H 1 1.200 0.030 . 1 . . . . 20 LEU HD2 . 11354 1 174 . 1 1 20 20 LEU HG H 1 2.229 0.030 . 1 . . . . 20 LEU HG . 11354 1 175 . 1 1 20 20 LEU C C 13 178.044 0.300 . 1 . . . . 20 LEU C . 11354 1 176 . 1 1 20 20 LEU CA C 13 57.076 0.300 . 1 . . . . 20 LEU CA . 11354 1 177 . 1 1 20 20 LEU CB C 13 42.688 0.300 . 1 . . . . 20 LEU CB . 11354 1 178 . 1 1 20 20 LEU CD1 C 13 25.594 0.300 . 2 . . . . 20 LEU CD1 . 11354 1 179 . 1 1 20 20 LEU CD2 C 13 24.085 0.300 . 2 . . . . 20 LEU CD2 . 11354 1 180 . 1 1 20 20 LEU CG C 13 27.679 0.300 . 1 . . . . 20 LEU CG . 11354 1 181 . 1 1 20 20 LEU N N 15 126.626 0.300 . 1 . . . . 20 LEU N . 11354 1 182 . 1 1 21 21 CYS H H 1 7.591 0.030 . 1 . . . . 21 CYS H . 11354 1 183 . 1 1 21 21 CYS HA H 1 4.641 0.030 . 1 . . . . 21 CYS HA . 11354 1 184 . 1 1 21 21 CYS HB2 H 1 3.347 0.030 . 2 . . . . 21 CYS HB2 . 11354 1 185 . 1 1 21 21 CYS HB3 H 1 3.199 0.030 . 2 . . . . 21 CYS HB3 . 11354 1 186 . 1 1 21 21 CYS C C 13 175.996 0.300 . 1 . . . . 21 CYS C . 11354 1 187 . 1 1 21 21 CYS CA C 13 58.042 0.300 . 1 . . . . 21 CYS CA . 11354 1 188 . 1 1 21 21 CYS CB C 13 31.091 0.300 . 1 . . . . 21 CYS CB . 11354 1 189 . 1 1 21 21 CYS N N 15 114.143 0.300 . 1 . . . . 21 CYS N . 11354 1 190 . 1 1 22 22 HIS H H 1 7.661 0.030 . 1 . . . . 22 HIS H . 11354 1 191 . 1 1 22 22 HIS HA H 1 4.433 0.030 . 1 . . . . 22 HIS HA . 11354 1 192 . 1 1 22 22 HIS HB2 H 1 3.599 0.030 . 2 . . . . 22 HIS HB2 . 11354 1 193 . 1 1 22 22 HIS HB3 H 1 3.318 0.030 . 2 . . . . 22 HIS HB3 . 11354 1 194 . 1 1 22 22 HIS HD2 H 1 7.242 0.030 . 1 . . . . 22 HIS HD2 . 11354 1 195 . 1 1 22 22 HIS HE1 H 1 8.445 0.030 . 1 . . . . 22 HIS HE1 . 11354 1 196 . 1 1 22 22 HIS C C 13 173.582 0.300 . 1 . . . . 22 HIS C . 11354 1 197 . 1 1 22 22 HIS CA C 13 56.671 0.300 . 1 . . . . 22 HIS CA . 11354 1 198 . 1 1 22 22 HIS CB C 13 26.279 0.300 . 1 . . . . 22 HIS CB . 11354 1 199 . 1 1 22 22 HIS CD2 C 13 120.212 0.300 . 1 . . . . 22 HIS CD2 . 11354 1 200 . 1 1 22 22 HIS CE1 C 13 136.160 0.300 . 1 . . . . 22 HIS CE1 . 11354 1 201 . 1 1 22 22 HIS N N 15 119.573 0.300 . 1 . . . . 22 HIS N . 11354 1 202 . 1 1 23 23 GLN H H 1 8.090 0.030 . 1 . . . . 23 GLN H . 11354 1 203 . 1 1 23 23 GLN HA H 1 5.110 0.030 . 1 . . . . 23 GLN HA . 11354 1 204 . 1 1 23 23 GLN HB2 H 1 2.549 0.030 . 2 . . . . 23 GLN HB2 . 11354 1 205 . 1 1 23 23 GLN HB3 H 1 2.380 0.030 . 2 . . . . 23 GLN HB3 . 11354 1 206 . 1 1 23 23 GLN HE21 H 1 7.539 0.030 . 2 . . . . 23 GLN HE21 . 11354 1 207 . 1 1 23 23 GLN HE22 H 1 6.912 0.030 . 2 . . . . 23 GLN HE22 . 11354 1 208 . 1 1 23 23 GLN HG2 H 1 2.660 0.030 . 2 . . . . 23 GLN HG2 . 11354 1 209 . 1 1 23 23 GLN HG3 H 1 2.570 0.030 . 2 . . . . 23 GLN HG3 . 11354 1 210 . 1 1 23 23 GLN C C 13 176.178 0.300 . 1 . . . . 23 GLN C . 11354 1 211 . 1 1 23 23 GLN CA C 13 54.303 0.300 . 1 . . . . 23 GLN CA . 11354 1 212 . 1 1 23 23 GLN CB C 13 33.115 0.300 . 1 . . . . 23 GLN CB . 11354 1 213 . 1 1 23 23 GLN CG C 13 34.376 0.300 . 1 . . . . 23 GLN CG . 11354 1 214 . 1 1 23 23 GLN N N 15 117.042 0.300 . 1 . . . . 23 GLN N . 11354 1 215 . 1 1 23 23 GLN NE2 N 15 113.369 0.300 . 1 . . . . 23 GLN NE2 . 11354 1 216 . 1 1 24 24 VAL H H 1 8.222 0.030 . 1 . . . . 24 VAL H . 11354 1 217 . 1 1 24 24 VAL HA H 1 4.596 0.030 . 1 . . . . 24 VAL HA . 11354 1 218 . 1 1 24 24 VAL HB H 1 2.630 0.030 . 1 . . . . 24 VAL HB . 11354 1 219 . 1 1 24 24 VAL HG11 H 1 1.105 0.030 . 1 . . . . 24 VAL HG1 . 11354 1 220 . 1 1 24 24 VAL HG12 H 1 1.105 0.030 . 1 . . . . 24 VAL HG1 . 11354 1 221 . 1 1 24 24 VAL HG13 H 1 1.105 0.030 . 1 . . . . 24 VAL HG1 . 11354 1 222 . 1 1 24 24 VAL HG21 H 1 1.064 0.030 . 1 . . . . 24 VAL HG2 . 11354 1 223 . 1 1 24 24 VAL HG22 H 1 1.064 0.030 . 1 . . . . 24 VAL HG2 . 11354 1 224 . 1 1 24 24 VAL HG23 H 1 1.064 0.030 . 1 . . . . 24 VAL HG2 . 11354 1 225 . 1 1 24 24 VAL C C 13 176.072 0.300 . 1 . . . . 24 VAL C . 11354 1 226 . 1 1 24 24 VAL CA C 13 61.674 0.300 . 1 . . . . 24 VAL CA . 11354 1 227 . 1 1 24 24 VAL CB C 13 33.173 0.300 . 1 . . . . 24 VAL CB . 11354 1 228 . 1 1 24 24 VAL CG1 C 13 21.656 0.300 . 2 . . . . 24 VAL CG1 . 11354 1 229 . 1 1 24 24 VAL CG2 C 13 17.936 0.300 . 2 . . . . 24 VAL CG2 . 11354 1 230 . 1 1 24 24 VAL N N 15 113.385 0.300 . 1 . . . . 24 VAL N . 11354 1 231 . 1 1 25 25 SER H H 1 8.922 0.030 . 1 . . . . 25 SER H . 11354 1 232 . 1 1 25 25 SER HA H 1 4.089 0.030 . 1 . . . . 25 SER HA . 11354 1 233 . 1 1 25 25 SER HB2 H 1 3.693 0.030 . 1 . . . . 25 SER HB2 . 11354 1 234 . 1 1 25 25 SER HB3 H 1 3.693 0.030 . 1 . . . . 25 SER HB3 . 11354 1 235 . 1 1 25 25 SER C C 13 174.106 0.300 . 1 . . . . 25 SER C . 11354 1 236 . 1 1 25 25 SER CA C 13 59.559 0.300 . 1 . . . . 25 SER CA . 11354 1 237 . 1 1 25 25 SER CB C 13 63.408 0.300 . 1 . . . . 25 SER CB . 11354 1 238 . 1 1 25 25 SER N N 15 115.247 0.300 . 1 . . . . 25 SER N . 11354 1 239 . 1 1 26 26 TYR H H 1 7.367 0.030 . 1 . . . . 26 TYR H . 11354 1 240 . 1 1 26 26 TYR HA H 1 4.662 0.030 . 1 . . . . 26 TYR HA . 11354 1 241 . 1 1 26 26 TYR HB2 H 1 3.231 0.030 . 2 . . . . 26 TYR HB2 . 11354 1 242 . 1 1 26 26 TYR HB3 H 1 2.982 0.030 . 2 . . . . 26 TYR HB3 . 11354 1 243 . 1 1 26 26 TYR HD1 H 1 6.952 0.030 . 1 . . . . 26 TYR HD1 . 11354 1 244 . 1 1 26 26 TYR HD2 H 1 6.952 0.030 . 1 . . . . 26 TYR HD2 . 11354 1 245 . 1 1 26 26 TYR HE1 H 1 6.489 0.030 . 1 . . . . 26 TYR HE1 . 11354 1 246 . 1 1 26 26 TYR HE2 H 1 6.489 0.030 . 1 . . . . 26 TYR HE2 . 11354 1 247 . 1 1 26 26 TYR C C 13 174.645 0.300 . 1 . . . . 26 TYR C . 11354 1 248 . 1 1 26 26 TYR CA C 13 58.001 0.300 . 1 . . . . 26 TYR CA . 11354 1 249 . 1 1 26 26 TYR CB C 13 39.261 0.300 . 1 . . . . 26 TYR CB . 11354 1 250 . 1 1 26 26 TYR CD1 C 13 133.925 0.300 . 1 . . . . 26 TYR CD1 . 11354 1 251 . 1 1 26 26 TYR CD2 C 13 133.925 0.300 . 1 . . . . 26 TYR CD2 . 11354 1 252 . 1 1 26 26 TYR CE1 C 13 117.198 0.300 . 1 . . . . 26 TYR CE1 . 11354 1 253 . 1 1 26 26 TYR CE2 C 13 117.198 0.300 . 1 . . . . 26 TYR CE2 . 11354 1 254 . 1 1 26 26 TYR N N 15 120.006 0.300 . 1 . . . . 26 TYR N . 11354 1 255 . 1 1 27 27 GLY H H 1 8.721 0.030 . 1 . . . . 27 GLY H . 11354 1 256 . 1 1 27 27 GLY HA2 H 1 3.911 0.030 . 2 . . . . 27 GLY HA2 . 11354 1 257 . 1 1 27 27 GLY HA3 H 1 3.811 0.030 . 2 . . . . 27 GLY HA3 . 11354 1 258 . 1 1 27 27 GLY C C 13 173.204 0.300 . 1 . . . . 27 GLY C . 11354 1 259 . 1 1 27 27 GLY CA C 13 45.717 0.300 . 1 . . . . 27 GLY CA . 11354 1 260 . 1 1 27 27 GLY N N 15 108.984 0.300 . 1 . . . . 27 GLY N . 11354 1 261 . 1 1 28 28 GLU H H 1 8.280 0.030 . 1 . . . . 28 GLU H . 11354 1 262 . 1 1 28 28 GLU HA H 1 4.025 0.030 . 1 . . . . 28 GLU HA . 11354 1 263 . 1 1 28 28 GLU HB2 H 1 0.944 0.030 . 2 . . . . 28 GLU HB2 . 11354 1 264 . 1 1 28 28 GLU HB3 H 1 0.479 0.030 . 2 . . . . 28 GLU HB3 . 11354 1 265 . 1 1 28 28 GLU HG2 H 1 1.921 0.030 . 2 . . . . 28 GLU HG2 . 11354 1 266 . 1 1 28 28 GLU HG3 H 1 1.790 0.030 . 2 . . . . 28 GLU HG3 . 11354 1 267 . 1 1 28 28 GLU C C 13 176.019 0.300 . 1 . . . . 28 GLU C . 11354 1 268 . 1 1 28 28 GLU CA C 13 56.665 0.300 . 1 . . . . 28 GLU CA . 11354 1 269 . 1 1 28 28 GLU CB C 13 28.352 0.300 . 1 . . . . 28 GLU CB . 11354 1 270 . 1 1 28 28 GLU CG C 13 36.298 0.300 . 1 . . . . 28 GLU CG . 11354 1 271 . 1 1 28 28 GLU N N 15 122.255 0.300 . 1 . . . . 28 GLU N . 11354 1 272 . 1 1 29 29 MET H H 1 8.335 0.030 . 1 . . . . 29 MET H . 11354 1 273 . 1 1 29 29 MET HA H 1 5.538 0.030 . 1 . . . . 29 MET HA . 11354 1 274 . 1 1 29 29 MET HB2 H 1 1.769 0.030 . 2 . . . . 29 MET HB2 . 11354 1 275 . 1 1 29 29 MET HB3 H 1 1.649 0.030 . 2 . . . . 29 MET HB3 . 11354 1 276 . 1 1 29 29 MET HE1 H 1 1.074 0.030 . 1 . . . . 29 MET HE . 11354 1 277 . 1 1 29 29 MET HE2 H 1 1.074 0.030 . 1 . . . . 29 MET HE . 11354 1 278 . 1 1 29 29 MET HE3 H 1 1.074 0.030 . 1 . . . . 29 MET HE . 11354 1 279 . 1 1 29 29 MET HG2 H 1 2.240 0.030 . 2 . . . . 29 MET HG2 . 11354 1 280 . 1 1 29 29 MET HG3 H 1 2.129 0.030 . 2 . . . . 29 MET HG3 . 11354 1 281 . 1 1 29 29 MET C C 13 175.130 0.300 . 1 . . . . 29 MET C . 11354 1 282 . 1 1 29 29 MET CA C 13 53.067 0.300 . 1 . . . . 29 MET CA . 11354 1 283 . 1 1 29 29 MET CB C 13 34.629 0.300 . 1 . . . . 29 MET CB . 11354 1 284 . 1 1 29 29 MET CE C 13 14.621 0.300 . 1 . . . . 29 MET CE . 11354 1 285 . 1 1 29 29 MET CG C 13 31.685 0.300 . 1 . . . . 29 MET CG . 11354 1 286 . 1 1 29 29 MET N N 15 124.086 0.300 . 1 . . . . 29 MET N . 11354 1 287 . 1 1 30 30 ILE H H 1 9.691 0.030 . 1 . . . . 30 ILE H . 11354 1 288 . 1 1 30 30 ILE HA H 1 4.802 0.030 . 1 . . . . 30 ILE HA . 11354 1 289 . 1 1 30 30 ILE HB H 1 1.390 0.030 . 1 . . . . 30 ILE HB . 11354 1 290 . 1 1 30 30 ILE HD11 H 1 0.009 0.030 . 1 . . . . 30 ILE HD1 . 11354 1 291 . 1 1 30 30 ILE HD12 H 1 0.009 0.030 . 1 . . . . 30 ILE HD1 . 11354 1 292 . 1 1 30 30 ILE HD13 H 1 0.009 0.030 . 1 . . . . 30 ILE HD1 . 11354 1 293 . 1 1 30 30 ILE HG12 H 1 0.605 0.030 . 2 . . . . 30 ILE HG12 . 11354 1 294 . 1 1 30 30 ILE HG13 H 1 1.278 0.030 . 2 . . . . 30 ILE HG13 . 11354 1 295 . 1 1 30 30 ILE HG21 H 1 0.248 0.030 . 1 . . . . 30 ILE HG2 . 11354 1 296 . 1 1 30 30 ILE HG22 H 1 0.248 0.030 . 1 . . . . 30 ILE HG2 . 11354 1 297 . 1 1 30 30 ILE HG23 H 1 0.248 0.030 . 1 . . . . 30 ILE HG2 . 11354 1 298 . 1 1 30 30 ILE C C 13 171.936 0.300 . 1 . . . . 30 ILE C . 11354 1 299 . 1 1 30 30 ILE CA C 13 58.370 0.300 . 1 . . . . 30 ILE CA . 11354 1 300 . 1 1 30 30 ILE CB C 13 42.765 0.300 . 1 . . . . 30 ILE CB . 11354 1 301 . 1 1 30 30 ILE CD1 C 13 14.961 0.300 . 1 . . . . 30 ILE CD1 . 11354 1 302 . 1 1 30 30 ILE CG1 C 13 28.881 0.300 . 1 . . . . 30 ILE CG1 . 11354 1 303 . 1 1 30 30 ILE CG2 C 13 15.177 0.300 . 1 . . . . 30 ILE CG2 . 11354 1 304 . 1 1 30 30 ILE N N 15 121.886 0.300 . 1 . . . . 30 ILE N . 11354 1 305 . 1 1 31 31 GLY H H 1 8.347 0.030 . 1 . . . . 31 GLY H . 11354 1 306 . 1 1 31 31 GLY HA2 H 1 4.813 0.030 . 2 . . . . 31 GLY HA2 . 11354 1 307 . 1 1 31 31 GLY HA3 H 1 2.661 0.030 . 2 . . . . 31 GLY HA3 . 11354 1 308 . 1 1 31 31 GLY C C 13 172.793 0.300 . 1 . . . . 31 GLY C . 11354 1 309 . 1 1 31 31 GLY CA C 13 43.293 0.300 . 1 . . . . 31 GLY CA . 11354 1 310 . 1 1 31 31 GLY N N 15 116.282 0.300 . 1 . . . . 31 GLY N . 11354 1 311 . 1 1 32 32 CYS H H 1 8.612 0.030 . 1 . . . . 32 CYS H . 11354 1 312 . 1 1 32 32 CYS HA H 1 4.591 0.030 . 1 . . . . 32 CYS HA . 11354 1 313 . 1 1 32 32 CYS HB2 H 1 3.190 0.030 . 2 . . . . 32 CYS HB2 . 11354 1 314 . 1 1 32 32 CYS HB3 H 1 3.142 0.030 . 2 . . . . 32 CYS HB3 . 11354 1 315 . 1 1 32 32 CYS C C 13 176.997 0.300 . 1 . . . . 32 CYS C . 11354 1 316 . 1 1 32 32 CYS CA C 13 60.384 0.300 . 1 . . . . 32 CYS CA . 11354 1 317 . 1 1 32 32 CYS CB C 13 32.223 0.300 . 1 . . . . 32 CYS CB . 11354 1 318 . 1 1 32 32 CYS N N 15 126.139 0.300 . 1 . . . . 32 CYS N . 11354 1 319 . 1 1 33 33 ASP H H 1 8.978 0.030 . 1 . . . . 33 ASP H . 11354 1 320 . 1 1 33 33 ASP HA H 1 4.716 0.030 . 1 . . . . 33 ASP HA . 11354 1 321 . 1 1 33 33 ASP HB2 H 1 2.510 0.030 . 2 . . . . 33 ASP HB2 . 11354 1 322 . 1 1 33 33 ASP HB3 H 1 1.779 0.030 . 2 . . . . 33 ASP HB3 . 11354 1 323 . 1 1 33 33 ASP C C 13 176.481 0.300 . 1 . . . . 33 ASP C . 11354 1 324 . 1 1 33 33 ASP CA C 13 56.769 0.300 . 1 . . . . 33 ASP CA . 11354 1 325 . 1 1 33 33 ASP CB C 13 40.983 0.300 . 1 . . . . 33 ASP CB . 11354 1 326 . 1 1 33 33 ASP N N 15 127.167 0.300 . 1 . . . . 33 ASP N . 11354 1 327 . 1 1 34 34 ASN H H 1 8.872 0.030 . 1 . . . . 34 ASN H . 11354 1 328 . 1 1 34 34 ASN HA H 1 5.221 0.030 . 1 . . . . 34 ASN HA . 11354 1 329 . 1 1 34 34 ASN HB2 H 1 4.099 0.030 . 2 . . . . 34 ASN HB2 . 11354 1 330 . 1 1 34 34 ASN HB3 H 1 2.772 0.030 . 2 . . . . 34 ASN HB3 . 11354 1 331 . 1 1 34 34 ASN HD21 H 1 7.203 0.030 . 2 . . . . 34 ASN HD21 . 11354 1 332 . 1 1 34 34 ASN HD22 H 1 9.243 0.030 . 2 . . . . 34 ASN HD22 . 11354 1 333 . 1 1 34 34 ASN C C 13 175.088 0.300 . 1 . . . . 34 ASN C . 11354 1 334 . 1 1 34 34 ASN CA C 13 51.075 0.300 . 1 . . . . 34 ASN CA . 11354 1 335 . 1 1 34 34 ASN CB C 13 38.636 0.300 . 1 . . . . 34 ASN CB . 11354 1 336 . 1 1 34 34 ASN N N 15 123.470 0.300 . 1 . . . . 34 ASN N . 11354 1 337 . 1 1 34 34 ASN ND2 N 15 117.193 0.300 . 1 . . . . 34 ASN ND2 . 11354 1 338 . 1 1 35 35 PRO HA H 1 4.448 0.030 . 1 . . . . 35 PRO HA . 11354 1 339 . 1 1 35 35 PRO HB2 H 1 2.380 0.030 . 2 . . . . 35 PRO HB2 . 11354 1 340 . 1 1 35 35 PRO HB3 H 1 1.982 0.030 . 2 . . . . 35 PRO HB3 . 11354 1 341 . 1 1 35 35 PRO HD2 H 1 4.270 0.030 . 2 . . . . 35 PRO HD2 . 11354 1 342 . 1 1 35 35 PRO HD3 H 1 4.218 0.030 . 2 . . . . 35 PRO HD3 . 11354 1 343 . 1 1 35 35 PRO HG2 H 1 2.063 0.030 . 1 . . . . 35 PRO HG2 . 11354 1 344 . 1 1 35 35 PRO HG3 H 1 2.063 0.030 . 1 . . . . 35 PRO HG3 . 11354 1 345 . 1 1 35 35 PRO C C 13 176.827 0.300 . 1 . . . . 35 PRO C . 11354 1 346 . 1 1 35 35 PRO CA C 13 64.416 0.300 . 1 . . . . 35 PRO CA . 11354 1 347 . 1 1 35 35 PRO CB C 13 32.162 0.300 . 1 . . . . 35 PRO CB . 11354 1 348 . 1 1 35 35 PRO CD C 13 51.547 0.300 . 1 . . . . 35 PRO CD . 11354 1 349 . 1 1 35 35 PRO CG C 13 27.238 0.300 . 1 . . . . 35 PRO CG . 11354 1 350 . 1 1 36 36 ASP H H 1 7.340 0.030 . 1 . . . . 36 ASP H . 11354 1 351 . 1 1 36 36 ASP HA H 1 4.802 0.030 . 1 . . . . 36 ASP HA . 11354 1 352 . 1 1 36 36 ASP HB2 H 1 2.943 0.030 . 2 . . . . 36 ASP HB2 . 11354 1 353 . 1 1 36 36 ASP HB3 H 1 2.451 0.030 . 2 . . . . 36 ASP HB3 . 11354 1 354 . 1 1 36 36 ASP C C 13 175.115 0.300 . 1 . . . . 36 ASP C . 11354 1 355 . 1 1 36 36 ASP CA C 13 53.605 0.300 . 1 . . . . 36 ASP CA . 11354 1 356 . 1 1 36 36 ASP CB C 13 41.250 0.300 . 1 . . . . 36 ASP CB . 11354 1 357 . 1 1 36 36 ASP N N 15 115.341 0.300 . 1 . . . . 36 ASP N . 11354 1 358 . 1 1 37 37 CYS H H 1 7.680 0.030 . 1 . . . . 37 CYS H . 11354 1 359 . 1 1 37 37 CYS HA H 1 3.702 0.030 . 1 . . . . 37 CYS HA . 11354 1 360 . 1 1 37 37 CYS HB2 H 1 3.480 0.030 . 2 . . . . 37 CYS HB2 . 11354 1 361 . 1 1 37 37 CYS HB3 H 1 2.883 0.030 . 2 . . . . 37 CYS HB3 . 11354 1 362 . 1 1 37 37 CYS C C 13 176.792 0.300 . 1 . . . . 37 CYS C . 11354 1 363 . 1 1 37 37 CYS CA C 13 63.054 0.300 . 1 . . . . 37 CYS CA . 11354 1 364 . 1 1 37 37 CYS CB C 13 30.753 0.300 . 1 . . . . 37 CYS CB . 11354 1 365 . 1 1 37 37 CYS N N 15 125.201 0.300 . 1 . . . . 37 CYS N . 11354 1 366 . 1 1 38 38 SER H H 1 8.580 0.030 . 1 . . . . 38 SER H . 11354 1 367 . 1 1 38 38 SER HA H 1 4.439 0.030 . 1 . . . . 38 SER HA . 11354 1 368 . 1 1 38 38 SER HB2 H 1 4.035 0.030 . 1 . . . . 38 SER HB2 . 11354 1 369 . 1 1 38 38 SER HB3 H 1 4.035 0.030 . 1 . . . . 38 SER HB3 . 11354 1 370 . 1 1 38 38 SER C C 13 174.599 0.300 . 1 . . . . 38 SER C . 11354 1 371 . 1 1 38 38 SER CA C 13 60.425 0.300 . 1 . . . . 38 SER CA . 11354 1 372 . 1 1 38 38 SER CB C 13 63.901 0.300 . 1 . . . . 38 SER CB . 11354 1 373 . 1 1 38 38 SER N N 15 122.923 0.300 . 1 . . . . 38 SER N . 11354 1 374 . 1 1 39 39 ILE H H 1 8.478 0.030 . 1 . . . . 39 ILE H . 11354 1 375 . 1 1 39 39 ILE HA H 1 4.183 0.030 . 1 . . . . 39 ILE HA . 11354 1 376 . 1 1 39 39 ILE HB H 1 1.811 0.030 . 1 . . . . 39 ILE HB . 11354 1 377 . 1 1 39 39 ILE HD11 H 1 0.961 0.030 . 1 . . . . 39 ILE HD1 . 11354 1 378 . 1 1 39 39 ILE HD12 H 1 0.961 0.030 . 1 . . . . 39 ILE HD1 . 11354 1 379 . 1 1 39 39 ILE HD13 H 1 0.961 0.030 . 1 . . . . 39 ILE HD1 . 11354 1 380 . 1 1 39 39 ILE HG12 H 1 1.689 0.030 . 2 . . . . 39 ILE HG12 . 11354 1 381 . 1 1 39 39 ILE HG13 H 1 1.096 0.030 . 2 . . . . 39 ILE HG13 . 11354 1 382 . 1 1 39 39 ILE HG21 H 1 0.306 0.030 . 1 . . . . 39 ILE HG2 . 11354 1 383 . 1 1 39 39 ILE HG22 H 1 0.306 0.030 . 1 . . . . 39 ILE HG2 . 11354 1 384 . 1 1 39 39 ILE HG23 H 1 0.306 0.030 . 1 . . . . 39 ILE HG2 . 11354 1 385 . 1 1 39 39 ILE C C 13 177.680 0.300 . 1 . . . . 39 ILE C . 11354 1 386 . 1 1 39 39 ILE CA C 13 63.343 0.300 . 1 . . . . 39 ILE CA . 11354 1 387 . 1 1 39 39 ILE CB C 13 39.978 0.300 . 1 . . . . 39 ILE CB . 11354 1 388 . 1 1 39 39 ILE CD1 C 13 13.124 0.300 . 1 . . . . 39 ILE CD1 . 11354 1 389 . 1 1 39 39 ILE CG1 C 13 28.398 0.300 . 1 . . . . 39 ILE CG1 . 11354 1 390 . 1 1 39 39 ILE CG2 C 13 18.247 0.300 . 1 . . . . 39 ILE CG2 . 11354 1 391 . 1 1 39 39 ILE N N 15 126.077 0.300 . 1 . . . . 39 ILE N . 11354 1 392 . 1 1 40 40 GLU H H 1 9.287 0.030 . 1 . . . . 40 GLU H . 11354 1 393 . 1 1 40 40 GLU HA H 1 3.822 0.030 . 1 . . . . 40 GLU HA . 11354 1 394 . 1 1 40 40 GLU HB2 H 1 2.388 0.030 . 2 . . . . 40 GLU HB2 . 11354 1 395 . 1 1 40 40 GLU HB3 H 1 2.082 0.030 . 2 . . . . 40 GLU HB3 . 11354 1 396 . 1 1 40 40 GLU HG2 H 1 1.950 0.030 . 2 . . . . 40 GLU HG2 . 11354 1 397 . 1 1 40 40 GLU HG3 H 1 1.713 0.030 . 2 . . . . 40 GLU HG3 . 11354 1 398 . 1 1 40 40 GLU C C 13 175.814 0.300 . 1 . . . . 40 GLU C . 11354 1 399 . 1 1 40 40 GLU CA C 13 62.890 0.300 . 1 . . . . 40 GLU CA . 11354 1 400 . 1 1 40 40 GLU CB C 13 30.005 0.300 . 1 . . . . 40 GLU CB . 11354 1 401 . 1 1 40 40 GLU CG C 13 36.615 0.300 . 1 . . . . 40 GLU CG . 11354 1 402 . 1 1 40 40 GLU N N 15 119.779 0.300 . 1 . . . . 40 GLU N . 11354 1 403 . 1 1 41 41 TRP H H 1 8.005 0.030 . 1 . . . . 41 TRP H . 11354 1 404 . 1 1 41 41 TRP HA H 1 5.383 0.030 . 1 . . . . 41 TRP HA . 11354 1 405 . 1 1 41 41 TRP HB2 H 1 2.680 0.030 . 2 . . . . 41 TRP HB2 . 11354 1 406 . 1 1 41 41 TRP HB3 H 1 2.516 0.030 . 2 . . . . 41 TRP HB3 . 11354 1 407 . 1 1 41 41 TRP HD1 H 1 6.971 0.030 . 1 . . . . 41 TRP HD1 . 11354 1 408 . 1 1 41 41 TRP HE1 H 1 9.938 0.030 . 1 . . . . 41 TRP HE1 . 11354 1 409 . 1 1 41 41 TRP HE3 H 1 7.068 0.030 . 1 . . . . 41 TRP HE3 . 11354 1 410 . 1 1 41 41 TRP HH2 H 1 7.186 0.030 . 1 . . . . 41 TRP HH2 . 11354 1 411 . 1 1 41 41 TRP HZ2 H 1 7.455 0.030 . 1 . . . . 41 TRP HZ2 . 11354 1 412 . 1 1 41 41 TRP HZ3 H 1 6.913 0.030 . 1 . . . . 41 TRP HZ3 . 11354 1 413 . 1 1 41 41 TRP C C 13 174.820 0.300 . 1 . . . . 41 TRP C . 11354 1 414 . 1 1 41 41 TRP CA C 13 56.070 0.300 . 1 . . . . 41 TRP CA . 11354 1 415 . 1 1 41 41 TRP CB C 13 33.421 0.300 . 1 . . . . 41 TRP CB . 11354 1 416 . 1 1 41 41 TRP CD1 C 13 127.163 0.300 . 1 . . . . 41 TRP CD1 . 11354 1 417 . 1 1 41 41 TRP CE3 C 13 119.551 0.300 . 1 . . . . 41 TRP CE3 . 11354 1 418 . 1 1 41 41 TRP CH2 C 13 124.537 0.300 . 1 . . . . 41 TRP CH2 . 11354 1 419 . 1 1 41 41 TRP CZ2 C 13 114.693 0.300 . 1 . . . . 41 TRP CZ2 . 11354 1 420 . 1 1 41 41 TRP CZ3 C 13 121.696 0.300 . 1 . . . . 41 TRP CZ3 . 11354 1 421 . 1 1 41 41 TRP N N 15 120.554 0.300 . 1 . . . . 41 TRP N . 11354 1 422 . 1 1 41 41 TRP NE1 N 15 128.626 0.300 . 1 . . . . 41 TRP NE1 . 11354 1 423 . 1 1 42 42 PHE H H 1 9.242 0.030 . 1 . . . . 42 PHE H . 11354 1 424 . 1 1 42 42 PHE HA H 1 4.927 0.030 . 1 . . . . 42 PHE HA . 11354 1 425 . 1 1 42 42 PHE HB2 H 1 3.266 0.030 . 2 . . . . 42 PHE HB2 . 11354 1 426 . 1 1 42 42 PHE HB3 H 1 2.853 0.030 . 2 . . . . 42 PHE HB3 . 11354 1 427 . 1 1 42 42 PHE HD1 H 1 7.708 0.030 . 1 . . . . 42 PHE HD1 . 11354 1 428 . 1 1 42 42 PHE HD2 H 1 7.708 0.030 . 1 . . . . 42 PHE HD2 . 11354 1 429 . 1 1 42 42 PHE HE1 H 1 7.318 0.030 . 1 . . . . 42 PHE HE1 . 11354 1 430 . 1 1 42 42 PHE HE2 H 1 7.318 0.030 . 1 . . . . 42 PHE HE2 . 11354 1 431 . 1 1 42 42 PHE HZ H 1 7.999 0.030 . 1 . . . . 42 PHE HZ . 11354 1 432 . 1 1 42 42 PHE C C 13 176.125 0.300 . 1 . . . . 42 PHE C . 11354 1 433 . 1 1 42 42 PHE CA C 13 56.152 0.300 . 1 . . . . 42 PHE CA . 11354 1 434 . 1 1 42 42 PHE CB C 13 42.791 0.300 . 1 . . . . 42 PHE CB . 11354 1 435 . 1 1 42 42 PHE CD1 C 13 132.960 0.300 . 1 . . . . 42 PHE CD1 . 11354 1 436 . 1 1 42 42 PHE CD2 C 13 132.960 0.300 . 1 . . . . 42 PHE CD2 . 11354 1 437 . 1 1 42 42 PHE CE1 C 13 130.284 0.300 . 1 . . . . 42 PHE CE1 . 11354 1 438 . 1 1 42 42 PHE CE2 C 13 130.284 0.300 . 1 . . . . 42 PHE CE2 . 11354 1 439 . 1 1 42 42 PHE CZ C 13 131.834 0.300 . 1 . . . . 42 PHE CZ . 11354 1 440 . 1 1 42 42 PHE N N 15 117.259 0.300 . 1 . . . . 42 PHE N . 11354 1 441 . 1 1 43 43 HIS H H 1 9.430 0.030 . 1 . . . . 43 HIS H . 11354 1 442 . 1 1 43 43 HIS HA H 1 5.027 0.030 . 1 . . . . 43 HIS HA . 11354 1 443 . 1 1 43 43 HIS HB2 H 1 4.062 0.030 . 2 . . . . 43 HIS HB2 . 11354 1 444 . 1 1 43 43 HIS HB3 H 1 3.687 0.030 . 2 . . . . 43 HIS HB3 . 11354 1 445 . 1 1 43 43 HIS HD2 H 1 6.890 0.030 . 1 . . . . 43 HIS HD2 . 11354 1 446 . 1 1 43 43 HIS HE1 H 1 7.455 0.030 . 1 . . . . 43 HIS HE1 . 11354 1 447 . 1 1 43 43 HIS C C 13 178.166 0.300 . 1 . . . . 43 HIS C . 11354 1 448 . 1 1 43 43 HIS CA C 13 57.959 0.300 . 1 . . . . 43 HIS CA . 11354 1 449 . 1 1 43 43 HIS CB C 13 30.911 0.300 . 1 . . . . 43 HIS CB . 11354 1 450 . 1 1 43 43 HIS CD2 C 13 118.904 0.300 . 1 . . . . 43 HIS CD2 . 11354 1 451 . 1 1 43 43 HIS CE1 C 13 137.612 0.300 . 1 . . . . 43 HIS CE1 . 11354 1 452 . 1 1 43 43 HIS N N 15 122.659 0.300 . 1 . . . . 43 HIS N . 11354 1 453 . 1 1 44 44 PHE H H 1 8.454 0.030 . 1 . . . . 44 PHE H . 11354 1 454 . 1 1 44 44 PHE HA H 1 3.989 0.030 . 1 . . . . 44 PHE HA . 11354 1 455 . 1 1 44 44 PHE HB2 H 1 3.380 0.030 . 2 . . . . 44 PHE HB2 . 11354 1 456 . 1 1 44 44 PHE HB3 H 1 3.145 0.030 . 2 . . . . 44 PHE HB3 . 11354 1 457 . 1 1 44 44 PHE HD1 H 1 6.689 0.030 . 1 . . . . 44 PHE HD1 . 11354 1 458 . 1 1 44 44 PHE HD2 H 1 6.689 0.030 . 1 . . . . 44 PHE HD2 . 11354 1 459 . 1 1 44 44 PHE HE1 H 1 6.923 0.030 . 1 . . . . 44 PHE HE1 . 11354 1 460 . 1 1 44 44 PHE HE2 H 1 6.923 0.030 . 1 . . . . 44 PHE HE2 . 11354 1 461 . 1 1 44 44 PHE HZ H 1 6.953 0.030 . 1 . . . . 44 PHE HZ . 11354 1 462 . 1 1 44 44 PHE C C 13 178.629 0.300 . 1 . . . . 44 PHE C . 11354 1 463 . 1 1 44 44 PHE CA C 13 60.789 0.300 . 1 . . . . 44 PHE CA . 11354 1 464 . 1 1 44 44 PHE CB C 13 37.804 0.300 . 1 . . . . 44 PHE CB . 11354 1 465 . 1 1 44 44 PHE CD1 C 13 129.189 0.300 . 1 . . . . 44 PHE CD1 . 11354 1 466 . 1 1 44 44 PHE CD2 C 13 129.189 0.300 . 1 . . . . 44 PHE CD2 . 11354 1 467 . 1 1 44 44 PHE CE1 C 13 130.952 0.300 . 1 . . . . 44 PHE CE1 . 11354 1 468 . 1 1 44 44 PHE CE2 C 13 130.952 0.300 . 1 . . . . 44 PHE CE2 . 11354 1 469 . 1 1 44 44 PHE CZ C 13 128.317 0.300 . 1 . . . . 44 PHE CZ . 11354 1 470 . 1 1 44 44 PHE N N 15 124.208 0.300 . 1 . . . . 44 PHE N . 11354 1 471 . 1 1 45 45 ALA H H 1 9.125 0.030 . 1 . . . . 45 ALA H . 11354 1 472 . 1 1 45 45 ALA HA H 1 4.360 0.030 . 1 . . . . 45 ALA HA . 11354 1 473 . 1 1 45 45 ALA HB1 H 1 1.652 0.030 . 1 . . . . 45 ALA HB . 11354 1 474 . 1 1 45 45 ALA HB2 H 1 1.652 0.030 . 1 . . . . 45 ALA HB . 11354 1 475 . 1 1 45 45 ALA HB3 H 1 1.652 0.030 . 1 . . . . 45 ALA HB . 11354 1 476 . 1 1 45 45 ALA C C 13 181.216 0.300 . 1 . . . . 45 ALA C . 11354 1 477 . 1 1 45 45 ALA CA C 13 55.347 0.300 . 1 . . . . 45 ALA CA . 11354 1 478 . 1 1 45 45 ALA CB C 13 18.365 0.300 . 1 . . . . 45 ALA CB . 11354 1 479 . 1 1 45 45 ALA N N 15 116.397 0.300 . 1 . . . . 45 ALA N . 11354 1 480 . 1 1 46 46 CYS H H 1 7.392 0.030 . 1 . . . . 46 CYS H . 11354 1 481 . 1 1 46 46 CYS HA H 1 4.301 0.030 . 1 . . . . 46 CYS HA . 11354 1 482 . 1 1 46 46 CYS HB2 H 1 3.434 0.030 . 2 . . . . 46 CYS HB2 . 11354 1 483 . 1 1 46 46 CYS HB3 H 1 3.309 0.030 . 2 . . . . 46 CYS HB3 . 11354 1 484 . 1 1 46 46 CYS C C 13 176.876 0.300 . 1 . . . . 46 CYS C . 11354 1 485 . 1 1 46 46 CYS CA C 13 62.562 0.300 . 1 . . . . 46 CYS CA . 11354 1 486 . 1 1 46 46 CYS CB C 13 30.591 0.300 . 1 . . . . 46 CYS CB . 11354 1 487 . 1 1 46 46 CYS N N 15 117.074 0.300 . 1 . . . . 46 CYS N . 11354 1 488 . 1 1 47 47 VAL H H 1 7.380 0.030 . 1 . . . . 47 VAL H . 11354 1 489 . 1 1 47 47 VAL HA H 1 4.756 0.030 . 1 . . . . 47 VAL HA . 11354 1 490 . 1 1 47 47 VAL HB H 1 2.822 0.030 . 1 . . . . 47 VAL HB . 11354 1 491 . 1 1 47 47 VAL HG11 H 1 1.041 0.030 . 1 . . . . 47 VAL HG1 . 11354 1 492 . 1 1 47 47 VAL HG12 H 1 1.041 0.030 . 1 . . . . 47 VAL HG1 . 11354 1 493 . 1 1 47 47 VAL HG13 H 1 1.041 0.030 . 1 . . . . 47 VAL HG1 . 11354 1 494 . 1 1 47 47 VAL HG21 H 1 0.866 0.030 . 1 . . . . 47 VAL HG2 . 11354 1 495 . 1 1 47 47 VAL HG22 H 1 0.866 0.030 . 1 . . . . 47 VAL HG2 . 11354 1 496 . 1 1 47 47 VAL HG23 H 1 0.866 0.030 . 1 . . . . 47 VAL HG2 . 11354 1 497 . 1 1 47 47 VAL C C 13 175.714 0.300 . 1 . . . . 47 VAL C . 11354 1 498 . 1 1 47 47 VAL CA C 13 60.057 0.300 . 1 . . . . 47 VAL CA . 11354 1 499 . 1 1 47 47 VAL CB C 13 31.806 0.300 . 1 . . . . 47 VAL CB . 11354 1 500 . 1 1 47 47 VAL CG1 C 13 22.888 0.300 . 2 . . . . 47 VAL CG1 . 11354 1 501 . 1 1 47 47 VAL CG2 C 13 17.957 0.300 . 2 . . . . 47 VAL CG2 . 11354 1 502 . 1 1 47 47 VAL N N 15 106.676 0.300 . 1 . . . . 47 VAL N . 11354 1 503 . 1 1 48 48 GLY H H 1 7.576 0.030 . 1 . . . . 48 GLY H . 11354 1 504 . 1 1 48 48 GLY HA2 H 1 4.060 0.030 . 2 . . . . 48 GLY HA2 . 11354 1 505 . 1 1 48 48 GLY HA3 H 1 3.920 0.030 . 2 . . . . 48 GLY HA3 . 11354 1 506 . 1 1 48 48 GLY C C 13 174.531 0.300 . 1 . . . . 48 GLY C . 11354 1 507 . 1 1 48 48 GLY CA C 13 46.909 0.300 . 1 . . . . 48 GLY CA . 11354 1 508 . 1 1 48 48 GLY N N 15 108.789 0.300 . 1 . . . . 48 GLY N . 11354 1 509 . 1 1 49 49 LEU H H 1 7.863 0.030 . 1 . . . . 49 LEU H . 11354 1 510 . 1 1 49 49 LEU HA H 1 4.584 0.030 . 1 . . . . 49 LEU HA . 11354 1 511 . 1 1 49 49 LEU HB2 H 1 0.913 0.030 . 2 . . . . 49 LEU HB2 . 11354 1 512 . 1 1 49 49 LEU HB3 H 1 0.567 0.030 . 2 . . . . 49 LEU HB3 . 11354 1 513 . 1 1 49 49 LEU HD11 H 1 0.668 0.030 . 1 . . . . 49 LEU HD1 . 11354 1 514 . 1 1 49 49 LEU HD12 H 1 0.668 0.030 . 1 . . . . 49 LEU HD1 . 11354 1 515 . 1 1 49 49 LEU HD13 H 1 0.668 0.030 . 1 . . . . 49 LEU HD1 . 11354 1 516 . 1 1 49 49 LEU HD21 H 1 -0.277 0.030 . 1 . . . . 49 LEU HD2 . 11354 1 517 . 1 1 49 49 LEU HD22 H 1 -0.277 0.030 . 1 . . . . 49 LEU HD2 . 11354 1 518 . 1 1 49 49 LEU HD23 H 1 -0.277 0.030 . 1 . . . . 49 LEU HD2 . 11354 1 519 . 1 1 49 49 LEU HG H 1 1.271 0.030 . 1 . . . . 49 LEU HG . 11354 1 520 . 1 1 49 49 LEU C C 13 177.096 0.300 . 1 . . . . 49 LEU C . 11354 1 521 . 1 1 49 49 LEU CA C 13 53.855 0.300 . 1 . . . . 49 LEU CA . 11354 1 522 . 1 1 49 49 LEU CB C 13 44.056 0.300 . 1 . . . . 49 LEU CB . 11354 1 523 . 1 1 49 49 LEU CD1 C 13 22.670 0.300 . 2 . . . . 49 LEU CD1 . 11354 1 524 . 1 1 49 49 LEU CD2 C 13 25.723 0.300 . 2 . . . . 49 LEU CD2 . 11354 1 525 . 1 1 49 49 LEU CG C 13 26.185 0.300 . 1 . . . . 49 LEU CG . 11354 1 526 . 1 1 49 49 LEU N N 15 119.544 0.300 . 1 . . . . 49 LEU N . 11354 1 527 . 1 1 50 50 THR H H 1 8.843 0.030 . 1 . . . . 50 THR H . 11354 1 528 . 1 1 50 50 THR HA H 1 4.487 0.030 . 1 . . . . 50 THR HA . 11354 1 529 . 1 1 50 50 THR HB H 1 4.325 0.030 . 1 . . . . 50 THR HB . 11354 1 530 . 1 1 50 50 THR HG21 H 1 1.238 0.030 . 1 . . . . 50 THR HG2 . 11354 1 531 . 1 1 50 50 THR HG22 H 1 1.238 0.030 . 1 . . . . 50 THR HG2 . 11354 1 532 . 1 1 50 50 THR HG23 H 1 1.238 0.030 . 1 . . . . 50 THR HG2 . 11354 1 533 . 1 1 50 50 THR C C 13 174.311 0.300 . 1 . . . . 50 THR C . 11354 1 534 . 1 1 50 50 THR CA C 13 62.273 0.300 . 1 . . . . 50 THR CA . 11354 1 535 . 1 1 50 50 THR CB C 13 70.069 0.300 . 1 . . . . 50 THR CB . 11354 1 536 . 1 1 50 50 THR CG2 C 13 21.921 0.300 . 1 . . . . 50 THR CG2 . 11354 1 537 . 1 1 50 50 THR N N 15 110.902 0.300 . 1 . . . . 50 THR N . 11354 1 538 . 1 1 51 51 THR H H 1 7.468 0.030 . 1 . . . . 51 THR H . 11354 1 539 . 1 1 51 51 THR HA H 1 4.589 0.030 . 1 . . . . 51 THR HA . 11354 1 540 . 1 1 51 51 THR HB H 1 4.090 0.030 . 1 . . . . 51 THR HB . 11354 1 541 . 1 1 51 51 THR HG21 H 1 1.145 0.030 . 1 . . . . 51 THR HG2 . 11354 1 542 . 1 1 51 51 THR HG22 H 1 1.145 0.030 . 1 . . . . 51 THR HG2 . 11354 1 543 . 1 1 51 51 THR HG23 H 1 1.145 0.030 . 1 . . . . 51 THR HG2 . 11354 1 544 . 1 1 51 51 THR C C 13 172.551 0.300 . 1 . . . . 51 THR C . 11354 1 545 . 1 1 51 51 THR CA C 13 60.253 0.300 . 1 . . . . 51 THR CA . 11354 1 546 . 1 1 51 51 THR CB C 13 71.058 0.300 . 1 . . . . 51 THR CB . 11354 1 547 . 1 1 51 51 THR CG2 C 13 20.858 0.300 . 1 . . . . 51 THR CG2 . 11354 1 548 . 1 1 51 51 THR N N 15 115.003 0.300 . 1 . . . . 51 THR N . 11354 1 549 . 1 1 52 52 LYS H H 1 8.708 0.030 . 1 . . . . 52 LYS H . 11354 1 550 . 1 1 52 52 LYS HA H 1 4.049 0.030 . 1 . . . . 52 LYS HA . 11354 1 551 . 1 1 52 52 LYS HB2 H 1 1.950 0.030 . 2 . . . . 52 LYS HB2 . 11354 1 552 . 1 1 52 52 LYS HB3 H 1 1.910 0.030 . 2 . . . . 52 LYS HB3 . 11354 1 553 . 1 1 52 52 LYS HD2 H 1 1.824 0.030 . 1 . . . . 52 LYS HD2 . 11354 1 554 . 1 1 52 52 LYS HD3 H 1 1.824 0.030 . 1 . . . . 52 LYS HD3 . 11354 1 555 . 1 1 52 52 LYS HE2 H 1 3.149 0.030 . 1 . . . . 52 LYS HE2 . 11354 1 556 . 1 1 52 52 LYS HE3 H 1 3.149 0.030 . 1 . . . . 52 LYS HE3 . 11354 1 557 . 1 1 52 52 LYS HG2 H 1 1.675 0.030 . 2 . . . . 52 LYS HG2 . 11354 1 558 . 1 1 52 52 LYS HG3 H 1 1.500 0.030 . 2 . . . . 52 LYS HG3 . 11354 1 559 . 1 1 52 52 LYS C C 13 174.617 0.300 . 1 . . . . 52 LYS C . 11354 1 560 . 1 1 52 52 LYS CA C 13 55.326 0.300 . 1 . . . . 52 LYS CA . 11354 1 561 . 1 1 52 52 LYS CB C 13 33.176 0.300 . 1 . . . . 52 LYS CB . 11354 1 562 . 1 1 52 52 LYS CD C 13 29.686 0.300 . 1 . . . . 52 LYS CD . 11354 1 563 . 1 1 52 52 LYS CE C 13 42.345 0.300 . 1 . . . . 52 LYS CE . 11354 1 564 . 1 1 52 52 LYS CG C 13 24.892 0.300 . 1 . . . . 52 LYS CG . 11354 1 565 . 1 1 52 52 LYS N N 15 126.175 0.300 . 1 . . . . 52 LYS N . 11354 1 566 . 1 1 53 53 PRO HA H 1 4.423 0.030 . 1 . . . . 53 PRO HA . 11354 1 567 . 1 1 53 53 PRO HB2 H 1 2.352 0.030 . 2 . . . . 53 PRO HB2 . 11354 1 568 . 1 1 53 53 PRO HB3 H 1 1.964 0.030 . 2 . . . . 53 PRO HB3 . 11354 1 569 . 1 1 53 53 PRO HD2 H 1 3.583 0.030 . 2 . . . . 53 PRO HD2 . 11354 1 570 . 1 1 53 53 PRO HD3 H 1 3.381 0.030 . 2 . . . . 53 PRO HD3 . 11354 1 571 . 1 1 53 53 PRO HG2 H 1 1.851 0.030 . 2 . . . . 53 PRO HG2 . 11354 1 572 . 1 1 53 53 PRO HG3 H 1 1.780 0.030 . 2 . . . . 53 PRO HG3 . 11354 1 573 . 1 1 53 53 PRO C C 13 176.220 0.300 . 1 . . . . 53 PRO C . 11354 1 574 . 1 1 53 53 PRO CA C 13 63.006 0.300 . 1 . . . . 53 PRO CA . 11354 1 575 . 1 1 53 53 PRO CB C 13 32.244 0.300 . 1 . . . . 53 PRO CB . 11354 1 576 . 1 1 53 53 PRO CD C 13 51.054 0.300 . 1 . . . . 53 PRO CD . 11354 1 577 . 1 1 53 53 PRO CG C 13 27.528 0.300 . 1 . . . . 53 PRO CG . 11354 1 578 . 1 1 54 54 ARG H H 1 8.619 0.030 . 1 . . . . 54 ARG H . 11354 1 579 . 1 1 54 54 ARG HA H 1 4.360 0.030 . 1 . . . . 54 ARG HA . 11354 1 580 . 1 1 54 54 ARG HB2 H 1 1.911 0.030 . 2 . . . . 54 ARG HB2 . 11354 1 581 . 1 1 54 54 ARG HB3 H 1 1.802 0.030 . 2 . . . . 54 ARG HB3 . 11354 1 582 . 1 1 54 54 ARG HD2 H 1 3.270 0.030 . 1 . . . . 54 ARG HD2 . 11354 1 583 . 1 1 54 54 ARG HD3 H 1 3.270 0.030 . 1 . . . . 54 ARG HD3 . 11354 1 584 . 1 1 54 54 ARG HG2 H 1 1.767 0.030 . 2 . . . . 54 ARG HG2 . 11354 1 585 . 1 1 54 54 ARG HG3 H 1 1.703 0.030 . 2 . . . . 54 ARG HG3 . 11354 1 586 . 1 1 54 54 ARG C C 13 176.990 0.300 . 1 . . . . 54 ARG C . 11354 1 587 . 1 1 54 54 ARG CA C 13 56.427 0.300 . 1 . . . . 54 ARG CA . 11354 1 588 . 1 1 54 54 ARG CB C 13 30.454 0.300 . 1 . . . . 54 ARG CB . 11354 1 589 . 1 1 54 54 ARG CD C 13 43.285 0.300 . 1 . . . . 54 ARG CD . 11354 1 590 . 1 1 54 54 ARG CG C 13 27.431 0.300 . 1 . . . . 54 ARG CG . 11354 1 591 . 1 1 54 54 ARG N N 15 121.341 0.300 . 1 . . . . 54 ARG N . 11354 1 592 . 1 1 55 55 GLY H H 1 8.087 0.030 . 1 . . . . 55 GLY H . 11354 1 593 . 1 1 55 55 GLY HA2 H 1 4.102 0.030 . 2 . . . . 55 GLY HA2 . 11354 1 594 . 1 1 55 55 GLY HA3 H 1 3.968 0.030 . 2 . . . . 55 GLY HA3 . 11354 1 595 . 1 1 55 55 GLY C C 13 173.098 0.300 . 1 . . . . 55 GLY C . 11354 1 596 . 1 1 55 55 GLY CA C 13 44.391 0.300 . 1 . . . . 55 GLY CA . 11354 1 597 . 1 1 55 55 GLY N N 15 110.463 0.300 . 1 . . . . 55 GLY N . 11354 1 598 . 1 1 56 56 LYS H H 1 8.234 0.030 . 1 . . . . 56 LYS H . 11354 1 599 . 1 1 56 56 LYS HA H 1 4.328 0.030 . 1 . . . . 56 LYS HA . 11354 1 600 . 1 1 56 56 LYS HB2 H 1 1.750 0.030 . 2 . . . . 56 LYS HB2 . 11354 1 601 . 1 1 56 56 LYS HB3 H 1 1.417 0.030 . 2 . . . . 56 LYS HB3 . 11354 1 602 . 1 1 56 56 LYS HD2 H 1 1.704 0.030 . 1 . . . . 56 LYS HD2 . 11354 1 603 . 1 1 56 56 LYS HD3 H 1 1.704 0.030 . 1 . . . . 56 LYS HD3 . 11354 1 604 . 1 1 56 56 LYS HE2 H 1 3.031 0.030 . 1 . . . . 56 LYS HE2 . 11354 1 605 . 1 1 56 56 LYS HE3 H 1 3.031 0.030 . 1 . . . . 56 LYS HE3 . 11354 1 606 . 1 1 56 56 LYS HG2 H 1 1.573 0.030 . 2 . . . . 56 LYS HG2 . 11354 1 607 . 1 1 56 56 LYS HG3 H 1 1.346 0.030 . 2 . . . . 56 LYS HG3 . 11354 1 608 . 1 1 56 56 LYS C C 13 176.387 0.300 . 1 . . . . 56 LYS C . 11354 1 609 . 1 1 56 56 LYS CA C 13 56.440 0.300 . 1 . . . . 56 LYS CA . 11354 1 610 . 1 1 56 56 LYS CB C 13 33.947 0.300 . 1 . . . . 56 LYS CB . 11354 1 611 . 1 1 56 56 LYS CD C 13 29.414 0.300 . 1 . . . . 56 LYS CD . 11354 1 612 . 1 1 56 56 LYS CE C 13 42.354 0.300 . 1 . . . . 56 LYS CE . 11354 1 613 . 1 1 56 56 LYS CG C 13 25.444 0.300 . 1 . . . . 56 LYS CG . 11354 1 614 . 1 1 56 56 LYS N N 15 120.550 0.300 . 1 . . . . 56 LYS N . 11354 1 615 . 1 1 57 57 TRP H H 1 9.628 0.030 . 1 . . . . 57 TRP H . 11354 1 616 . 1 1 57 57 TRP HA H 1 4.418 0.030 . 1 . . . . 57 TRP HA . 11354 1 617 . 1 1 57 57 TRP HB2 H 1 3.239 0.030 . 2 . . . . 57 TRP HB2 . 11354 1 618 . 1 1 57 57 TRP HB3 H 1 2.740 0.030 . 2 . . . . 57 TRP HB3 . 11354 1 619 . 1 1 57 57 TRP HD1 H 1 7.240 0.030 . 1 . . . . 57 TRP HD1 . 11354 1 620 . 1 1 57 57 TRP HE1 H 1 9.946 0.030 . 1 . . . . 57 TRP HE1 . 11354 1 621 . 1 1 57 57 TRP HE3 H 1 7.479 0.030 . 1 . . . . 57 TRP HE3 . 11354 1 622 . 1 1 57 57 TRP HH2 H 1 5.872 0.030 . 1 . . . . 57 TRP HH2 . 11354 1 623 . 1 1 57 57 TRP HZ2 H 1 6.958 0.030 . 1 . . . . 57 TRP HZ2 . 11354 1 624 . 1 1 57 57 TRP HZ3 H 1 6.400 0.030 . 1 . . . . 57 TRP HZ3 . 11354 1 625 . 1 1 57 57 TRP C C 13 172.103 0.300 . 1 . . . . 57 TRP C . 11354 1 626 . 1 1 57 57 TRP CA C 13 58.946 0.300 . 1 . . . . 57 TRP CA . 11354 1 627 . 1 1 57 57 TRP CB C 13 31.404 0.300 . 1 . . . . 57 TRP CB . 11354 1 628 . 1 1 57 57 TRP CD1 C 13 126.114 0.300 . 1 . . . . 57 TRP CD1 . 11354 1 629 . 1 1 57 57 TRP CE3 C 13 122.970 0.300 . 1 . . . . 57 TRP CE3 . 11354 1 630 . 1 1 57 57 TRP CH2 C 13 122.480 0.300 . 1 . . . . 57 TRP CH2 . 11354 1 631 . 1 1 57 57 TRP CZ2 C 13 112.815 0.300 . 1 . . . . 57 TRP CZ2 . 11354 1 632 . 1 1 57 57 TRP CZ3 C 13 120.080 0.300 . 1 . . . . 57 TRP CZ3 . 11354 1 633 . 1 1 57 57 TRP N N 15 126.239 0.300 . 1 . . . . 57 TRP N . 11354 1 634 . 1 1 57 57 TRP NE1 N 15 128.646 0.300 . 1 . . . . 57 TRP NE1 . 11354 1 635 . 1 1 58 58 PHE H H 1 7.041 0.030 . 1 . . . . 58 PHE H . 11354 1 636 . 1 1 58 58 PHE HA H 1 5.069 0.030 . 1 . . . . 58 PHE HA . 11354 1 637 . 1 1 58 58 PHE HB2 H 1 2.476 0.030 . 2 . . . . 58 PHE HB2 . 11354 1 638 . 1 1 58 58 PHE HB3 H 1 2.340 0.030 . 2 . . . . 58 PHE HB3 . 11354 1 639 . 1 1 58 58 PHE HD1 H 1 7.030 0.030 . 1 . . . . 58 PHE HD1 . 11354 1 640 . 1 1 58 58 PHE HD2 H 1 7.030 0.030 . 1 . . . . 58 PHE HD2 . 11354 1 641 . 1 1 58 58 PHE HE1 H 1 7.053 0.030 . 1 . . . . 58 PHE HE1 . 11354 1 642 . 1 1 58 58 PHE HE2 H 1 7.053 0.030 . 1 . . . . 58 PHE HE2 . 11354 1 643 . 1 1 58 58 PHE HZ H 1 7.199 0.030 . 1 . . . . 58 PHE HZ . 11354 1 644 . 1 1 58 58 PHE C C 13 173.734 0.300 . 1 . . . . 58 PHE C . 11354 1 645 . 1 1 58 58 PHE CA C 13 54.139 0.300 . 1 . . . . 58 PHE CA . 11354 1 646 . 1 1 58 58 PHE CB C 13 41.770 0.300 . 1 . . . . 58 PHE CB . 11354 1 647 . 1 1 58 58 PHE CD1 C 13 131.932 0.300 . 1 . . . . 58 PHE CD1 . 11354 1 648 . 1 1 58 58 PHE CD2 C 13 131.932 0.300 . 1 . . . . 58 PHE CD2 . 11354 1 649 . 1 1 58 58 PHE CE1 C 13 131.001 0.300 . 1 . . . . 58 PHE CE1 . 11354 1 650 . 1 1 58 58 PHE CE2 C 13 131.001 0.300 . 1 . . . . 58 PHE CE2 . 11354 1 651 . 1 1 58 58 PHE CZ C 13 129.238 0.300 . 1 . . . . 58 PHE CZ . 11354 1 652 . 1 1 58 58 PHE N N 15 123.893 0.300 . 1 . . . . 58 PHE N . 11354 1 653 . 1 1 59 59 CYS H H 1 8.738 0.030 . 1 . . . . 59 CYS H . 11354 1 654 . 1 1 59 59 CYS HA H 1 3.583 0.030 . 1 . . . . 59 CYS HA . 11354 1 655 . 1 1 59 59 CYS HB2 H 1 2.272 0.030 . 2 . . . . 59 CYS HB2 . 11354 1 656 . 1 1 59 59 CYS HB3 H 1 1.912 0.030 . 2 . . . . 59 CYS HB3 . 11354 1 657 . 1 1 59 59 CYS C C 13 174.101 0.300 . 1 . . . . 59 CYS C . 11354 1 658 . 1 1 59 59 CYS CA C 13 57.616 0.300 . 1 . . . . 59 CYS CA . 11354 1 659 . 1 1 59 59 CYS CB C 13 30.758 0.300 . 1 . . . . 59 CYS CB . 11354 1 660 . 1 1 59 59 CYS N N 15 125.550 0.300 . 1 . . . . 59 CYS N . 11354 1 661 . 1 1 60 60 PRO HA H 1 4.200 0.030 . 1 . . . . 60 PRO HA . 11354 1 662 . 1 1 60 60 PRO HB2 H 1 2.490 0.030 . 2 . . . . 60 PRO HB2 . 11354 1 663 . 1 1 60 60 PRO HB3 H 1 1.890 0.030 . 2 . . . . 60 PRO HB3 . 11354 1 664 . 1 1 60 60 PRO HD2 H 1 3.549 0.030 . 2 . . . . 60 PRO HD2 . 11354 1 665 . 1 1 60 60 PRO HD3 H 1 3.325 0.030 . 2 . . . . 60 PRO HD3 . 11354 1 666 . 1 1 60 60 PRO HG2 H 1 2.158 0.030 . 1 . . . . 60 PRO HG2 . 11354 1 667 . 1 1 60 60 PRO HG3 H 1 2.158 0.030 . 1 . . . . 60 PRO HG3 . 11354 1 668 . 1 1 60 60 PRO CA C 13 65.629 0.300 . 1 . . . . 60 PRO CA . 11354 1 669 . 1 1 60 60 PRO CB C 13 32.244 0.300 . 1 . . . . 60 PRO CB . 11354 1 670 . 1 1 60 60 PRO CD C 13 50.186 0.300 . 1 . . . . 60 PRO CD . 11354 1 671 . 1 1 60 60 PRO CG C 13 28.011 0.300 . 1 . . . . 60 PRO CG . 11354 1 672 . 1 1 61 61 ARG H H 1 8.313 0.030 . 1 . . . . 61 ARG H . 11354 1 673 . 1 1 61 61 ARG HA H 1 4.262 0.030 . 1 . . . . 61 ARG HA . 11354 1 674 . 1 1 61 61 ARG HB2 H 1 2.116 0.030 . 2 . . . . 61 ARG HB2 . 11354 1 675 . 1 1 61 61 ARG HB3 H 1 2.051 0.030 . 2 . . . . 61 ARG HB3 . 11354 1 676 . 1 1 61 61 ARG HD2 H 1 3.298 0.030 . 1 . . . . 61 ARG HD2 . 11354 1 677 . 1 1 61 61 ARG HD3 H 1 3.298 0.030 . 1 . . . . 61 ARG HD3 . 11354 1 678 . 1 1 61 61 ARG HG2 H 1 1.787 0.030 . 2 . . . . 61 ARG HG2 . 11354 1 679 . 1 1 61 61 ARG HG3 H 1 1.720 0.030 . 2 . . . . 61 ARG HG3 . 11354 1 680 . 1 1 61 61 ARG C C 13 178.677 0.300 . 1 . . . . 61 ARG C . 11354 1 681 . 1 1 61 61 ARG CA C 13 58.329 0.300 . 1 . . . . 61 ARG CA . 11354 1 682 . 1 1 61 61 ARG CB C 13 30.499 0.300 . 1 . . . . 61 ARG CB . 11354 1 683 . 1 1 61 61 ARG CD C 13 43.189 0.300 . 1 . . . . 61 ARG CD . 11354 1 684 . 1 1 61 61 ARG CG C 13 27.141 0.300 . 1 . . . . 61 ARG CG . 11354 1 685 . 1 1 61 61 ARG N N 15 117.727 0.300 . 1 . . . . 61 ARG N . 11354 1 686 . 1 1 62 62 CYS H H 1 8.566 0.030 . 1 . . . . 62 CYS H . 11354 1 687 . 1 1 62 62 CYS HA H 1 4.019 0.030 . 1 . . . . 62 CYS HA . 11354 1 688 . 1 1 62 62 CYS HB2 H 1 3.018 0.030 . 2 . . . . 62 CYS HB2 . 11354 1 689 . 1 1 62 62 CYS HB3 H 1 2.741 0.030 . 2 . . . . 62 CYS HB3 . 11354 1 690 . 1 1 62 62 CYS C C 13 177.301 0.300 . 1 . . . . 62 CYS C . 11354 1 691 . 1 1 62 62 CYS CA C 13 63.074 0.300 . 1 . . . . 62 CYS CA . 11354 1 692 . 1 1 62 62 CYS CB C 13 30.178 0.300 . 1 . . . . 62 CYS CB . 11354 1 693 . 1 1 62 62 CYS N N 15 124.026 0.300 . 1 . . . . 62 CYS N . 11354 1 694 . 1 1 63 63 SER H H 1 8.204 0.030 . 1 . . . . 63 SER H . 11354 1 695 . 1 1 63 63 SER HA H 1 4.031 0.030 . 1 . . . . 63 SER HA . 11354 1 696 . 1 1 63 63 SER HB2 H 1 3.758 0.030 . 2 . . . . 63 SER HB2 . 11354 1 697 . 1 1 63 63 SER HB3 H 1 3.663 0.030 . 2 . . . . 63 SER HB3 . 11354 1 698 . 1 1 63 63 SER C C 13 174.675 0.300 . 1 . . . . 63 SER C . 11354 1 699 . 1 1 63 63 SER CA C 13 59.931 0.300 . 1 . . . . 63 SER CA . 11354 1 700 . 1 1 63 63 SER CB C 13 63.367 0.300 . 1 . . . . 63 SER CB . 11354 1 701 . 1 1 63 63 SER N N 15 114.062 0.300 . 1 . . . . 63 SER N . 11354 1 702 . 1 1 64 64 GLN H H 1 7.684 0.030 . 1 . . . . 64 GLN H . 11354 1 703 . 1 1 64 64 GLN HA H 1 4.218 0.030 . 1 . . . . 64 GLN HA . 11354 1 704 . 1 1 64 64 GLN HB2 H 1 2.149 0.030 . 2 . . . . 64 GLN HB2 . 11354 1 705 . 1 1 64 64 GLN HB3 H 1 2.022 0.030 . 2 . . . . 64 GLN HB3 . 11354 1 706 . 1 1 64 64 GLN HE21 H 1 7.460 0.030 . 2 . . . . 64 GLN HE21 . 11354 1 707 . 1 1 64 64 GLN HE22 H 1 6.782 0.030 . 2 . . . . 64 GLN HE22 . 11354 1 708 . 1 1 64 64 GLN HG2 H 1 2.398 0.030 . 2 . . . . 64 GLN HG2 . 11354 1 709 . 1 1 64 64 GLN HG3 H 1 2.355 0.030 . 2 . . . . 64 GLN HG3 . 11354 1 710 . 1 1 64 64 GLN C C 13 176.337 0.300 . 1 . . . . 64 GLN C . 11354 1 711 . 1 1 64 64 GLN CA C 13 56.440 0.300 . 1 . . . . 64 GLN CA . 11354 1 712 . 1 1 64 64 GLN CB C 13 29.224 0.300 . 1 . . . . 64 GLN CB . 11354 1 713 . 1 1 64 64 GLN CG C 13 33.866 0.300 . 1 . . . . 64 GLN CG . 11354 1 714 . 1 1 64 64 GLN N N 15 120.566 0.300 . 1 . . . . 64 GLN N . 11354 1 715 . 1 1 64 64 GLN NE2 N 15 112.381 0.300 . 1 . . . . 64 GLN NE2 . 11354 1 716 . 1 1 65 65 GLU H H 1 8.059 0.030 . 1 . . . . 65 GLU H . 11354 1 717 . 1 1 65 65 GLU HA H 1 4.275 0.030 . 1 . . . . 65 GLU HA . 11354 1 718 . 1 1 65 65 GLU HB2 H 1 2.056 0.030 . 2 . . . . 65 GLU HB2 . 11354 1 719 . 1 1 65 65 GLU HB3 H 1 1.917 0.030 . 2 . . . . 65 GLU HB3 . 11354 1 720 . 1 1 65 65 GLU HG2 H 1 2.298 0.030 . 2 . . . . 65 GLU HG2 . 11354 1 721 . 1 1 65 65 GLU HG3 H 1 2.238 0.030 . 2 . . . . 65 GLU HG3 . 11354 1 722 . 1 1 65 65 GLU C C 13 176.649 0.300 . 1 . . . . 65 GLU C . 11354 1 723 . 1 1 65 65 GLU CA C 13 56.886 0.300 . 1 . . . . 65 GLU CA . 11354 1 724 . 1 1 65 65 GLU CB C 13 30.253 0.300 . 1 . . . . 65 GLU CB . 11354 1 725 . 1 1 65 65 GLU CG C 13 36.297 0.300 . 1 . . . . 65 GLU CG . 11354 1 726 . 1 1 65 65 GLU N N 15 120.341 0.300 . 1 . . . . 65 GLU N . 11354 1 727 . 1 1 66 66 SER H H 1 8.147 0.030 . 1 . . . . 66 SER H . 11354 1 728 . 1 1 66 66 SER HA H 1 4.439 0.030 . 1 . . . . 66 SER HA . 11354 1 729 . 1 1 66 66 SER HB2 H 1 3.788 0.030 . 1 . . . . 66 SER HB2 . 11354 1 730 . 1 1 66 66 SER HB3 H 1 3.788 0.030 . 1 . . . . 66 SER HB3 . 11354 1 731 . 1 1 66 66 SER C C 13 174.630 0.300 . 1 . . . . 66 SER C . 11354 1 732 . 1 1 66 66 SER CA C 13 58.535 0.300 . 1 . . . . 66 SER CA . 11354 1 733 . 1 1 66 66 SER CB C 13 63.946 0.300 . 1 . . . . 66 SER CB . 11354 1 734 . 1 1 66 66 SER N N 15 115.963 0.300 . 1 . . . . 66 SER N . 11354 1 735 . 1 1 67 67 GLY H H 1 8.132 0.030 . 1 . . . . 67 GLY H . 11354 1 736 . 1 1 67 67 GLY HA2 H 1 4.146 0.030 . 2 . . . . 67 GLY HA2 . 11354 1 737 . 1 1 67 67 GLY HA3 H 1 4.077 0.030 . 2 . . . . 67 GLY HA3 . 11354 1 738 . 1 1 67 67 GLY C C 13 171.792 0.300 . 1 . . . . 67 GLY C . 11354 1 739 . 1 1 67 67 GLY CA C 13 44.800 0.300 . 1 . . . . 67 GLY CA . 11354 1 740 . 1 1 67 67 GLY N N 15 110.605 0.300 . 1 . . . . 67 GLY N . 11354 1 741 . 1 1 68 68 PRO HA H 1 4.460 0.030 . 1 . . . . 68 PRO HA . 11354 1 742 . 1 1 68 68 PRO HB2 H 1 2.278 0.030 . 2 . . . . 68 PRO HB2 . 11354 1 743 . 1 1 68 68 PRO HB3 H 1 1.973 0.030 . 2 . . . . 68 PRO HB3 . 11354 1 744 . 1 1 68 68 PRO HD2 H 1 3.633 0.030 . 1 . . . . 68 PRO HD2 . 11354 1 745 . 1 1 68 68 PRO HD3 H 1 3.633 0.030 . 1 . . . . 68 PRO HD3 . 11354 1 746 . 1 1 68 68 PRO HG2 H 1 2.026 0.030 . 1 . . . . 68 PRO HG2 . 11354 1 747 . 1 1 68 68 PRO HG3 H 1 2.026 0.030 . 1 . . . . 68 PRO HG3 . 11354 1 748 . 1 1 68 68 PRO C C 13 177.418 0.300 . 1 . . . . 68 PRO C . 11354 1 749 . 1 1 68 68 PRO CA C 13 63.170 0.300 . 1 . . . . 68 PRO CA . 11354 1 750 . 1 1 68 68 PRO CB C 13 32.162 0.300 . 1 . . . . 68 PRO CB . 11354 1 751 . 1 1 68 68 PRO CD C 13 49.859 0.300 . 1 . . . . 68 PRO CD . 11354 1 752 . 1 1 68 68 PRO CG C 13 27.238 0.300 . 1 . . . . 68 PRO CG . 11354 1 753 . 1 1 69 69 SER H H 1 8.514 0.030 . 1 . . . . 69 SER H . 11354 1 754 . 1 1 69 69 SER HA H 1 4.571 0.030 . 1 . . . . 69 SER HA . 11354 1 755 . 1 1 69 69 SER HB2 H 1 3.905 0.030 . 1 . . . . 69 SER HB2 . 11354 1 756 . 1 1 69 69 SER HB3 H 1 3.905 0.030 . 1 . . . . 69 SER HB3 . 11354 1 757 . 1 1 69 69 SER C C 13 176.148 0.300 . 1 . . . . 69 SER C . 11354 1 758 . 1 1 69 69 SER CA C 13 58.370 0.300 . 1 . . . . 69 SER CA . 11354 1 759 . 1 1 69 69 SER CB C 13 63.901 0.300 . 1 . . . . 69 SER CB . 11354 1 760 . 1 1 69 69 SER N N 15 116.403 0.300 . 1 . . . . 69 SER N . 11354 1 761 . 1 1 70 70 SER H H 1 8.489 0.030 . 1 . . . . 70 SER H . 11354 1 762 . 1 1 70 70 SER HA H 1 4.543 0.030 . 1 . . . . 70 SER HA . 11354 1 763 . 1 1 70 70 SER HB2 H 1 3.933 0.030 . 1 . . . . 70 SER HB2 . 11354 1 764 . 1 1 70 70 SER HB3 H 1 3.933 0.030 . 1 . . . . 70 SER HB3 . 11354 1 765 . 1 1 70 70 SER C C 13 175.024 0.300 . 1 . . . . 70 SER C . 11354 1 766 . 1 1 70 70 SER CA C 13 58.618 0.300 . 1 . . . . 70 SER CA . 11354 1 767 . 1 1 70 70 SER CB C 13 63.943 0.300 . 1 . . . . 70 SER CB . 11354 1 768 . 1 1 70 70 SER N N 15 118.041 0.300 . 1 . . . . 70 SER N . 11354 1 769 . 1 1 71 71 GLY H H 1 8.497 0.030 . 1 . . . . 71 GLY H . 11354 1 770 . 1 1 71 71 GLY HA2 H 1 4.086 0.030 . 1 . . . . 71 GLY HA2 . 11354 1 771 . 1 1 71 71 GLY HA3 H 1 4.086 0.030 . 1 . . . . 71 GLY HA3 . 11354 1 772 . 1 1 71 71 GLY C C 13 174.298 0.300 . 1 . . . . 71 GLY C . 11354 1 773 . 1 1 71 71 GLY CA C 13 45.391 0.300 . 1 . . . . 71 GLY CA . 11354 1 774 . 1 1 71 71 GLY N N 15 110.947 0.300 . 1 . . . . 71 GLY N . 11354 1 stop_ save_