data_10148 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10148 _Entry.Title ; Solution structure of three zf-C2H2 domains from mouse protein odd-skipped-related 2 splicing isoform 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-12-04 _Entry.Accession_date 2007-12-05 _Entry.Last_release_date 2008-12-10 _Entry.Original_release_date 2008-12-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 T. Tomizawa . . . 10148 2 S. Koshiba . . . 10148 3 S. Watanabe . . . 10148 4 T. Harada . . . 10148 5 T. Kigawa . . . 10148 6 S. Yokoyama . . . 10148 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10148 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 456 10148 '15N chemical shifts' 89 10148 '1H chemical shifts' 679 10148 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 . . 2008-12-10 2007-12-04 original author . 10148 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EE8 'BMRB Entry Tracking System' 10148 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10148 _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 three zf-C2H2 domains from mouse protein odd-skipped-related 2 splicing isoform 2 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 T. Tomizawa . . . 10148 1 2 S. Koshiba . . . 10148 1 3 S. Watanabe . . . 10148 1 4 T. Harada . . . 10148 1 5 T. Kigawa . . . 10148 1 6 S. Yokoyama . . . 10148 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10148 _Assembly.ID 1 _Assembly.Name 'Protein odd-skipped-related 2' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 'zf-C2H2 domains' 1 $entity_1 . . yes native no no . . . 10148 1 2 'ZINC ION No.1' 2 $ZN . . no native no no . . . 10148 1 3 'ZINC ION No.2' 2 $ZN . . no native no no . . . 10148 1 4 'ZINC ION No.3' 2 $ZN . . no native no no . . . 10148 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 'zf-C2H2 domains' 1 CYS 20 20 SG . 2 'ZINC ION No.1' 2 ZN 1 1 ZN . . 20 CYS SG . . . . ZN 10148 1 2 coordination single . 1 'zf-C2H2 domains' 1 CYS 23 23 SG . 2 'ZINC ION No.1' 2 ZN 1 1 ZN . . 23 CYS SG . . . . ZN 10148 1 3 coordination single . 1 'zf-C2H2 domains' 1 HIS 36 36 NE2 . 2 'ZINC ION No.1' 2 ZN 1 1 ZN . . 36 HIS NE2 . . . . ZN 10148 1 4 coordination single . 1 'zf-C2H2 domains' 1 HIS 40 40 NE2 . 2 'ZINC ION No.1' 2 ZN 1 1 ZN . . 40 HIS NE2 . . . . ZN 10148 1 5 coordination single . 1 'zf-C2H2 domains' 1 CYS 48 48 SG . 3 'ZINC ION No.2' 2 ZN 1 1 ZN . . 48 CYS SG . . . . ZN 10148 1 6 coordination single . 1 'zf-C2H2 domains' 1 CYS 51 51 SG . 3 'ZINC ION No.2' 2 ZN 1 1 ZN . . 51 CYS SG . . . . ZN 10148 1 7 coordination single . 1 'zf-C2H2 domains' 1 HIS 64 64 NE2 . 3 'ZINC ION No.2' 2 ZN 1 1 ZN . . 64 HIS NE2 . . . . ZN 10148 1 8 coordination single . 1 'zf-C2H2 domains' 1 HIS 68 68 NE2 . 3 'ZINC ION No.2' 2 ZN 1 1 ZN . . 68 HIS NE2 . . . . ZN 10148 1 9 coordination single . 1 'zf-C2H2 domains' 1 CYS 76 76 SG . 4 'ZINC ION No.3' 2 ZN 1 1 ZN . . 76 CYS SG . . . . ZN 10148 1 10 coordination single . 1 'zf-C2H2 domains' 1 CYS 79 79 SG . 4 'ZINC ION No.3' 2 ZN 1 1 ZN . . 79 CYS SG . . . . ZN 10148 1 11 coordination single . 1 'zf-C2H2 domains' 1 HIS 92 92 NE2 . 4 'ZINC ION No.3' 2 ZN 1 1 ZN . . 92 HIS NE2 . . . . ZN 10148 1 12 coordination single . 1 'zf-C2H2 domains' 1 HIS 96 96 NE2 . 4 'ZINC ION No.3' 2 ZN 1 1 ZN . . 96 HIS NE2 . . . . ZN 10148 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 HIS 92 92 HE2 . 92 HIS HE2 10148 1 . . 1 1 HIS 96 96 HE2 . 96 HIS HE2 10148 1 . . 1 1 CYS 76 76 HG . 76 CYS HG 10148 1 . . 1 1 CYS 79 79 HG . 79 CYS HG 10148 1 . . 1 1 HIS 64 64 HE2 . 64 HIS HE2 10148 1 . . 1 1 HIS 68 68 HE2 . 68 HIS HE2 10148 1 . . 1 1 CYS 48 48 HG . 48 CYS HG 10148 1 . . 1 1 CYS 51 51 HG . 51 CYS HG 10148 1 . . 1 1 HIS 36 36 HE2 . 36 HIS HE2 10148 1 . . 1 1 HIS 40 40 HE2 . 40 HIS HE2 10148 1 . . 1 1 CYS 20 20 HG . 20 CYS HG 10148 1 . . 1 1 CYS 23 23 HG . 23 CYS HG 10148 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2EE8 . . . . . . 10148 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10148 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'zf-C2H2 domains' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGGRLPSKTKKEFIC KFCGRHFTKSYNLLIHERTH TDERPYTCDICHKAFRRQDH LRDHRYIHSKEKPFKCQECG KGFCQSRTLAVHKTLHMQTS SPTAAS ; _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2EE8 . "Solution Structure Of Three Zf-C2h2 Domains From Mouse Protein Odd-Skipped-Related 2 Splicing Isoform 2" . . . . . 100.00 106 100.00 100.00 1.58e-70 . . . . 10148 1 2 no DBJ BAC34859 . "unnamed protein product [Mus musculus]" . . . . . 95.28 276 99.01 99.01 1.14e-65 . . . . 10148 1 3 no DBJ BAF84180 . "unnamed protein product [Homo sapiens]" . . . . . 95.28 276 99.01 99.01 1.61e-65 . . . . 10148 1 4 no GB AAH13504 . "Odd-skipped related 2 (Drosophila) [Mus musculus]" . . . . . 95.28 276 99.01 99.01 1.28e-65 . . . . 10148 1 5 no GB AAH16936 . "Odd-skipped related 2 (Drosophila) [Homo sapiens]" . . . . . 95.28 276 99.01 99.01 1.61e-65 . . . . 10148 1 6 no GB AAH79211 . "Odd-skipped related 2 (Drosophila) [Rattus norvegicus]" . . . . . 95.28 276 99.01 99.01 1.30e-65 . . . . 10148 1 7 no GB AAI02144 . "Odd-skipped related 2 (Drosophila) [Bos taurus]" . . . . . 95.28 276 99.01 99.01 1.18e-65 . . . . 10148 1 8 no GB AAI08580 . "MGC131074 protein [Xenopus laevis]" . . . . . 95.28 271 97.03 97.03 7.06e-65 . . . . 10148 1 9 no REF NP_001012118 . "protein odd-skipped-related 2 [Rattus norvegicus]" . . . . . 95.28 276 99.01 99.01 1.30e-65 . . . . 10148 1 10 no REF NP_001029500 . "protein odd-skipped-related 2 [Bos taurus]" . . . . . 95.28 276 99.01 99.01 1.18e-65 . . . . 10148 1 11 no REF NP_001089872 . "protein odd-skipped-related 2-A [Xenopus laevis]" . . . . . 95.28 271 97.03 97.03 7.06e-65 . . . . 10148 1 12 no REF NP_001090353 . "protein odd-skipped-related 2-B [Xenopus laevis]" . . . . . 95.28 271 97.03 97.03 9.35e-65 . . . . 10148 1 13 no REF NP_001163815 . "protein odd-skipped-related 2 [Gallus gallus]" . . . . . 87.74 412 98.92 98.92 3.85e-61 . . . . 10148 1 14 no SP Q0IHB8 . "RecName: Full=Protein odd-skipped-related 2-B" . . . . . 95.28 271 97.03 97.03 9.35e-65 . . . . 10148 1 15 no SP Q32NK7 . "RecName: Full=Protein odd-skipped-related 2-A; Short=XOsr2" . . . . . 95.28 271 97.03 97.03 7.06e-65 . . . . 10148 1 16 no SP Q3T135 . "RecName: Full=Protein odd-skipped-related 2" . . . . . 95.28 276 99.01 99.01 1.18e-65 . . . . 10148 1 17 no SP Q6AY34 . "RecName: Full=Protein odd-skipped-related 2" . . . . . 95.28 276 99.01 99.01 1.30e-65 . . . . 10148 1 18 no TPG DAA22584 . "TPA: protein odd-skipped-related 2 [Bos taurus]" . . . . . 95.28 276 99.01 99.01 1.18e-65 . . . . 10148 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'zf-C2H2 doamins' . 10148 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 . 10148 1 2 . SER . 10148 1 3 . SER . 10148 1 4 . GLY . 10148 1 5 . SER . 10148 1 6 . SER . 10148 1 7 . GLY . 10148 1 8 . GLY . 10148 1 9 . ARG . 10148 1 10 . LEU . 10148 1 11 . PRO . 10148 1 12 . SER . 10148 1 13 . LYS . 10148 1 14 . THR . 10148 1 15 . LYS . 10148 1 16 . LYS . 10148 1 17 . GLU . 10148 1 18 . PHE . 10148 1 19 . ILE . 10148 1 20 . CYS . 10148 1 21 . LYS . 10148 1 22 . PHE . 10148 1 23 . CYS . 10148 1 24 . GLY . 10148 1 25 . ARG . 10148 1 26 . HIS . 10148 1 27 . PHE . 10148 1 28 . THR . 10148 1 29 . LYS . 10148 1 30 . SER . 10148 1 31 . TYR . 10148 1 32 . ASN . 10148 1 33 . LEU . 10148 1 34 . LEU . 10148 1 35 . ILE . 10148 1 36 . HIS . 10148 1 37 . GLU . 10148 1 38 . ARG . 10148 1 39 . THR . 10148 1 40 . HIS . 10148 1 41 . THR . 10148 1 42 . ASP . 10148 1 43 . GLU . 10148 1 44 . ARG . 10148 1 45 . PRO . 10148 1 46 . TYR . 10148 1 47 . THR . 10148 1 48 . CYS . 10148 1 49 . ASP . 10148 1 50 . ILE . 10148 1 51 . CYS . 10148 1 52 . HIS . 10148 1 53 . LYS . 10148 1 54 . ALA . 10148 1 55 . PHE . 10148 1 56 . ARG . 10148 1 57 . ARG . 10148 1 58 . GLN . 10148 1 59 . ASP . 10148 1 60 . HIS . 10148 1 61 . LEU . 10148 1 62 . ARG . 10148 1 63 . ASP . 10148 1 64 . HIS . 10148 1 65 . ARG . 10148 1 66 . TYR . 10148 1 67 . ILE . 10148 1 68 . HIS . 10148 1 69 . SER . 10148 1 70 . LYS . 10148 1 71 . GLU . 10148 1 72 . LYS . 10148 1 73 . PRO . 10148 1 74 . PHE . 10148 1 75 . LYS . 10148 1 76 . CYS . 10148 1 77 . GLN . 10148 1 78 . GLU . 10148 1 79 . CYS . 10148 1 80 . GLY . 10148 1 81 . LYS . 10148 1 82 . GLY . 10148 1 83 . PHE . 10148 1 84 . CYS . 10148 1 85 . GLN . 10148 1 86 . SER . 10148 1 87 . ARG . 10148 1 88 . THR . 10148 1 89 . LEU . 10148 1 90 . ALA . 10148 1 91 . VAL . 10148 1 92 . HIS . 10148 1 93 . LYS . 10148 1 94 . THR . 10148 1 95 . LEU . 10148 1 96 . HIS . 10148 1 97 . MET . 10148 1 98 . GLN . 10148 1 99 . THR . 10148 1 100 . SER . 10148 1 101 . SER . 10148 1 102 . PRO . 10148 1 103 . THR . 10148 1 104 . ALA . 10148 1 105 . ALA . 10148 1 106 . SER . 10148 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 10148 1 . SER 2 2 10148 1 . SER 3 3 10148 1 . GLY 4 4 10148 1 . SER 5 5 10148 1 . SER 6 6 10148 1 . GLY 7 7 10148 1 . GLY 8 8 10148 1 . ARG 9 9 10148 1 . LEU 10 10 10148 1 . PRO 11 11 10148 1 . SER 12 12 10148 1 . LYS 13 13 10148 1 . THR 14 14 10148 1 . LYS 15 15 10148 1 . LYS 16 16 10148 1 . GLU 17 17 10148 1 . PHE 18 18 10148 1 . ILE 19 19 10148 1 . CYS 20 20 10148 1 . LYS 21 21 10148 1 . PHE 22 22 10148 1 . CYS 23 23 10148 1 . GLY 24 24 10148 1 . ARG 25 25 10148 1 . HIS 26 26 10148 1 . PHE 27 27 10148 1 . THR 28 28 10148 1 . LYS 29 29 10148 1 . SER 30 30 10148 1 . TYR 31 31 10148 1 . ASN 32 32 10148 1 . LEU 33 33 10148 1 . LEU 34 34 10148 1 . ILE 35 35 10148 1 . HIS 36 36 10148 1 . GLU 37 37 10148 1 . ARG 38 38 10148 1 . THR 39 39 10148 1 . HIS 40 40 10148 1 . THR 41 41 10148 1 . ASP 42 42 10148 1 . GLU 43 43 10148 1 . ARG 44 44 10148 1 . PRO 45 45 10148 1 . TYR 46 46 10148 1 . THR 47 47 10148 1 . CYS 48 48 10148 1 . ASP 49 49 10148 1 . ILE 50 50 10148 1 . CYS 51 51 10148 1 . HIS 52 52 10148 1 . LYS 53 53 10148 1 . ALA 54 54 10148 1 . PHE 55 55 10148 1 . ARG 56 56 10148 1 . ARG 57 57 10148 1 . GLN 58 58 10148 1 . ASP 59 59 10148 1 . HIS 60 60 10148 1 . LEU 61 61 10148 1 . ARG 62 62 10148 1 . ASP 63 63 10148 1 . HIS 64 64 10148 1 . ARG 65 65 10148 1 . TYR 66 66 10148 1 . ILE 67 67 10148 1 . HIS 68 68 10148 1 . SER 69 69 10148 1 . LYS 70 70 10148 1 . GLU 71 71 10148 1 . LYS 72 72 10148 1 . PRO 73 73 10148 1 . PHE 74 74 10148 1 . LYS 75 75 10148 1 . CYS 76 76 10148 1 . GLN 77 77 10148 1 . GLU 78 78 10148 1 . CYS 79 79 10148 1 . GLY 80 80 10148 1 . LYS 81 81 10148 1 . GLY 82 82 10148 1 . PHE 83 83 10148 1 . CYS 84 84 10148 1 . GLN 85 85 10148 1 . SER 86 86 10148 1 . ARG 87 87 10148 1 . THR 88 88 10148 1 . LEU 89 89 10148 1 . ALA 90 90 10148 1 . VAL 91 91 10148 1 . HIS 92 92 10148 1 . LYS 93 93 10148 1 . THR 94 94 10148 1 . LEU 95 95 10148 1 . HIS 96 96 10148 1 . MET 97 97 10148 1 . GLN 98 98 10148 1 . THR 99 99 10148 1 . SER 100 100 10148 1 . SER 101 101 10148 1 . PRO 102 102 10148 1 . THR 103 103 10148 1 . ALA 104 104 10148 1 . ALA 105 105 10148 1 . SER 106 106 10148 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 10148 _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 . _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 . 10148 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 10148 _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' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10148 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 10148 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P060529-15 . . . . . . 10148 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 10148 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 6 16:29:02 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 10148 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 10148 ZN [Zn++] SMILES CACTVS 3.341 10148 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 10148 ZN [Zn+2] SMILES ACDLabs 10.04 10148 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 10148 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 10148 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 10148 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 10148 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 . 10148 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10148 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'zf-C2H2 domains' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.86 . . mM . . . . 10148 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10148 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10148 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10148 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10148 1 6 H2O . . . . . . solvent 90 . . % . . . . 10148 1 7 D2O . . . . . . solvent 10 . . % . . . . 10148 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 10148 _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 10148 1 pH 7.0 0.05 pH 10148 1 pressure 1 0.001 atm 10148 1 temperature 298 0.1 K 10148 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10148 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10148 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10148 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10148 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060524 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F' . . 10148 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10148 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10148 _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.' . . 10148 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10148 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10148 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9823 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10148 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10148 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10148 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guentert, P.' . . 10148 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10148 5 'structure solution' 10148 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 10148 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 10148 _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 . 700 . . . 10148 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 10148 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10148 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10148 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 10148 _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 . . . . . . . . . 10148 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10148 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10148 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 10148 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10148 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10148 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 8 8 GLY CA C 13 45.171 0.300 . 1 . . . . 8 GLY CA . 10148 1 2 . 1 1 8 8 GLY HA2 H 1 3.976 0.030 . 1 . . . . 8 GLY HA2 . 10148 1 3 . 1 1 8 8 GLY HA3 H 1 3.976 0.030 . 1 . . . . 8 GLY HA3 . 10148 1 4 . 1 1 8 8 GLY C C 13 173.956 0.300 . 1 . . . . 8 GLY C . 10148 1 5 . 1 1 9 9 ARG N N 15 120.445 0.300 . 1 . . . . 9 ARG N . 10148 1 6 . 1 1 9 9 ARG H H 1 8.126 0.030 . 1 . . . . 9 ARG H . 10148 1 7 . 1 1 9 9 ARG CA C 13 55.873 0.300 . 1 . . . . 9 ARG CA . 10148 1 8 . 1 1 9 9 ARG HA H 1 4.318 0.030 . 1 . . . . 9 ARG HA . 10148 1 9 . 1 1 9 9 ARG CB C 13 30.899 0.300 . 1 . . . . 9 ARG CB . 10148 1 10 . 1 1 9 9 ARG HB2 H 1 1.799 0.030 . 2 . . . . 9 ARG HB2 . 10148 1 11 . 1 1 9 9 ARG HB3 H 1 1.719 0.030 . 2 . . . . 9 ARG HB3 . 10148 1 12 . 1 1 9 9 ARG CG C 13 27.055 0.300 . 1 . . . . 9 ARG CG . 10148 1 13 . 1 1 9 9 ARG HG2 H 1 1.579 0.030 . 1 . . . . 9 ARG HG2 . 10148 1 14 . 1 1 9 9 ARG HG3 H 1 1.579 0.030 . 1 . . . . 9 ARG HG3 . 10148 1 15 . 1 1 9 9 ARG CD C 13 43.359 0.300 . 1 . . . . 9 ARG CD . 10148 1 16 . 1 1 9 9 ARG HD2 H 1 3.157 0.030 . 1 . . . . 9 ARG HD2 . 10148 1 17 . 1 1 9 9 ARG HD3 H 1 3.157 0.030 . 1 . . . . 9 ARG HD3 . 10148 1 18 . 1 1 9 9 ARG C C 13 176.192 0.300 . 1 . . . . 9 ARG C . 10148 1 19 . 1 1 10 10 LEU N N 15 125.156 0.300 . 1 . . . . 10 LEU N . 10148 1 20 . 1 1 10 10 LEU H H 1 8.357 0.030 . 1 . . . . 10 LEU H . 10148 1 21 . 1 1 10 10 LEU CA C 13 53.058 0.300 . 1 . . . . 10 LEU CA . 10148 1 22 . 1 1 10 10 LEU HA H 1 4.589 0.030 . 1 . . . . 10 LEU HA . 10148 1 23 . 1 1 10 10 LEU CB C 13 41.599 0.300 . 1 . . . . 10 LEU CB . 10148 1 24 . 1 1 10 10 LEU HB2 H 1 1.590 0.030 . 2 . . . . 10 LEU HB2 . 10148 1 25 . 1 1 10 10 LEU HB3 H 1 1.534 0.030 . 2 . . . . 10 LEU HB3 . 10148 1 26 . 1 1 10 10 LEU CG C 13 27.197 0.300 . 1 . . . . 10 LEU CG . 10148 1 27 . 1 1 10 10 LEU HG H 1 1.657 0.030 . 1 . . . . 10 LEU HG . 10148 1 28 . 1 1 10 10 LEU CD1 C 13 25.190 0.300 . 2 . . . . 10 LEU CD1 . 10148 1 29 . 1 1 10 10 LEU HD11 H 1 0.921 0.030 . 1 . . . . 10 LEU HD1 . 10148 1 30 . 1 1 10 10 LEU HD12 H 1 0.921 0.030 . 1 . . . . 10 LEU HD1 . 10148 1 31 . 1 1 10 10 LEU HD13 H 1 0.921 0.030 . 1 . . . . 10 LEU HD1 . 10148 1 32 . 1 1 10 10 LEU CD2 C 13 23.281 0.300 . 2 . . . . 10 LEU CD2 . 10148 1 33 . 1 1 10 10 LEU HD21 H 1 0.889 0.030 . 1 . . . . 10 LEU HD2 . 10148 1 34 . 1 1 10 10 LEU HD22 H 1 0.889 0.030 . 1 . . . . 10 LEU HD2 . 10148 1 35 . 1 1 10 10 LEU HD23 H 1 0.889 0.030 . 1 . . . . 10 LEU HD2 . 10148 1 36 . 1 1 10 10 LEU C C 13 175.327 0.300 . 1 . . . . 10 LEU C . 10148 1 37 . 1 1 11 11 PRO CA C 13 63.064 0.300 . 1 . . . . 11 PRO CA . 10148 1 38 . 1 1 11 11 PRO HA H 1 4.416 0.030 . 1 . . . . 11 PRO HA . 10148 1 39 . 1 1 11 11 PRO CB C 13 32.095 0.300 . 1 . . . . 11 PRO CB . 10148 1 40 . 1 1 11 11 PRO HB2 H 1 1.882 0.030 . 2 . . . . 11 PRO HB2 . 10148 1 41 . 1 1 11 11 PRO HB3 H 1 2.289 0.030 . 2 . . . . 11 PRO HB3 . 10148 1 42 . 1 1 11 11 PRO CG C 13 27.345 0.300 . 1 . . . . 11 PRO CG . 10148 1 43 . 1 1 11 11 PRO HG2 H 1 2.005 0.030 . 1 . . . . 11 PRO HG2 . 10148 1 44 . 1 1 11 11 PRO HG3 H 1 2.005 0.030 . 1 . . . . 11 PRO HG3 . 10148 1 45 . 1 1 11 11 PRO CD C 13 50.592 0.300 . 1 . . . . 11 PRO CD . 10148 1 46 . 1 1 11 11 PRO HD2 H 1 3.627 0.030 . 2 . . . . 11 PRO HD2 . 10148 1 47 . 1 1 11 11 PRO HD3 H 1 3.830 0.030 . 2 . . . . 11 PRO HD3 . 10148 1 48 . 1 1 13 13 LYS CA C 13 56.353 0.300 . 1 . . . . 13 LYS CA . 10148 1 49 . 1 1 13 13 LYS HA H 1 4.383 0.030 . 1 . . . . 13 LYS HA . 10148 1 50 . 1 1 13 13 LYS CB C 13 33.019 0.300 . 1 . . . . 13 LYS CB . 10148 1 51 . 1 1 13 13 LYS HB2 H 1 1.857 0.030 . 2 . . . . 13 LYS HB2 . 10148 1 52 . 1 1 13 13 LYS HB3 H 1 1.746 0.030 . 2 . . . . 13 LYS HB3 . 10148 1 53 . 1 1 13 13 LYS CG C 13 24.812 0.300 . 1 . . . . 13 LYS CG . 10148 1 54 . 1 1 13 13 LYS HG2 H 1 1.410 0.030 . 1 . . . . 13 LYS HG2 . 10148 1 55 . 1 1 13 13 LYS HG3 H 1 1.410 0.030 . 1 . . . . 13 LYS HG3 . 10148 1 56 . 1 1 13 13 LYS CD C 13 28.934 0.300 . 1 . . . . 13 LYS CD . 10148 1 57 . 1 1 13 13 LYS HD2 H 1 1.654 0.030 . 1 . . . . 13 LYS HD2 . 10148 1 58 . 1 1 13 13 LYS HD3 H 1 1.654 0.030 . 1 . . . . 13 LYS HD3 . 10148 1 59 . 1 1 13 13 LYS CE C 13 42.205 0.300 . 1 . . . . 13 LYS CE . 10148 1 60 . 1 1 13 13 LYS HE2 H 1 2.958 0.030 . 1 . . . . 13 LYS HE2 . 10148 1 61 . 1 1 13 13 LYS HE3 H 1 2.958 0.030 . 1 . . . . 13 LYS HE3 . 10148 1 62 . 1 1 13 13 LYS C C 13 176.694 0.300 . 1 . . . . 13 LYS C . 10148 1 63 . 1 1 14 14 THR N N 15 115.691 0.300 . 1 . . . . 14 THR N . 10148 1 64 . 1 1 14 14 THR H H 1 8.140 0.030 . 1 . . . . 14 THR H . 10148 1 65 . 1 1 14 14 THR CA C 13 61.919 0.300 . 1 . . . . 14 THR CA . 10148 1 66 . 1 1 14 14 THR HA H 1 4.265 0.030 . 1 . . . . 14 THR HA . 10148 1 67 . 1 1 14 14 THR CB C 13 69.860 0.300 . 1 . . . . 14 THR CB . 10148 1 68 . 1 1 14 14 THR HB H 1 4.123 0.030 . 1 . . . . 14 THR HB . 10148 1 69 . 1 1 14 14 THR CG2 C 13 21.746 0.300 . 1 . . . . 14 THR CG2 . 10148 1 70 . 1 1 14 14 THR HG21 H 1 1.166 0.030 . 1 . . . . 14 THR HG2 . 10148 1 71 . 1 1 14 14 THR HG22 H 1 1.166 0.030 . 1 . . . . 14 THR HG2 . 10148 1 72 . 1 1 14 14 THR HG23 H 1 1.166 0.030 . 1 . . . . 14 THR HG2 . 10148 1 73 . 1 1 14 14 THR C C 13 174.261 0.300 . 1 . . . . 14 THR C . 10148 1 74 . 1 1 15 15 LYS N N 15 124.645 0.300 . 1 . . . . 15 LYS N . 10148 1 75 . 1 1 15 15 LYS H H 1 8.323 0.030 . 1 . . . . 15 LYS H . 10148 1 76 . 1 1 15 15 LYS CA C 13 56.226 0.300 . 1 . . . . 15 LYS CA . 10148 1 77 . 1 1 15 15 LYS HA H 1 4.278 0.030 . 1 . . . . 15 LYS HA . 10148 1 78 . 1 1 15 15 LYS CB C 13 33.220 0.300 . 1 . . . . 15 LYS CB . 10148 1 79 . 1 1 15 15 LYS HB2 H 1 1.700 0.030 . 2 . . . . 15 LYS HB2 . 10148 1 80 . 1 1 15 15 LYS HB3 H 1 1.757 0.030 . 2 . . . . 15 LYS HB3 . 10148 1 81 . 1 1 15 15 LYS CG C 13 24.565 0.300 . 1 . . . . 15 LYS CG . 10148 1 82 . 1 1 15 15 LYS HG2 H 1 1.320 0.030 . 1 . . . . 15 LYS HG2 . 10148 1 83 . 1 1 15 15 LYS HG3 H 1 1.320 0.030 . 1 . . . . 15 LYS HG3 . 10148 1 84 . 1 1 15 15 LYS CD C 13 29.264 0.300 . 1 . . . . 15 LYS CD . 10148 1 85 . 1 1 15 15 LYS HD2 H 1 1.648 0.030 . 1 . . . . 15 LYS HD2 . 10148 1 86 . 1 1 15 15 LYS HD3 H 1 1.648 0.030 . 1 . . . . 15 LYS HD3 . 10148 1 87 . 1 1 15 15 LYS CE C 13 42.122 0.300 . 1 . . . . 15 LYS CE . 10148 1 88 . 1 1 15 15 LYS HE2 H 1 2.976 0.030 . 1 . . . . 15 LYS HE2 . 10148 1 89 . 1 1 15 15 LYS HE3 H 1 2.976 0.030 . 1 . . . . 15 LYS HE3 . 10148 1 90 . 1 1 15 15 LYS C C 13 175.921 0.300 . 1 . . . . 15 LYS C . 10148 1 91 . 1 1 16 16 LYS N N 15 123.830 0.300 . 1 . . . . 16 LYS N . 10148 1 92 . 1 1 16 16 LYS H H 1 8.332 0.030 . 1 . . . . 16 LYS H . 10148 1 93 . 1 1 16 16 LYS CA C 13 55.966 0.300 . 1 . . . . 16 LYS CA . 10148 1 94 . 1 1 16 16 LYS HA H 1 4.192 0.030 . 1 . . . . 16 LYS HA . 10148 1 95 . 1 1 16 16 LYS CB C 13 33.028 0.300 . 1 . . . . 16 LYS CB . 10148 1 96 . 1 1 16 16 LYS HB2 H 1 1.609 0.030 . 1 . . . . 16 LYS HB2 . 10148 1 97 . 1 1 16 16 LYS HB3 H 1 1.609 0.030 . 1 . . . . 16 LYS HB3 . 10148 1 98 . 1 1 16 16 LYS CG C 13 24.650 0.300 . 1 . . . . 16 LYS CG . 10148 1 99 . 1 1 16 16 LYS HG2 H 1 1.221 0.030 . 1 . . . . 16 LYS HG2 . 10148 1 100 . 1 1 16 16 LYS HG3 H 1 1.221 0.030 . 1 . . . . 16 LYS HG3 . 10148 1 101 . 1 1 16 16 LYS CD C 13 29.042 0.300 . 1 . . . . 16 LYS CD . 10148 1 102 . 1 1 16 16 LYS HD2 H 1 1.602 0.030 . 1 . . . . 16 LYS HD2 . 10148 1 103 . 1 1 16 16 LYS HD3 H 1 1.602 0.030 . 1 . . . . 16 LYS HD3 . 10148 1 104 . 1 1 16 16 LYS CE C 13 42.194 0.300 . 1 . . . . 16 LYS CE . 10148 1 105 . 1 1 16 16 LYS HE2 H 1 2.891 0.030 . 1 . . . . 16 LYS HE2 . 10148 1 106 . 1 1 16 16 LYS HE3 H 1 2.891 0.030 . 1 . . . . 16 LYS HE3 . 10148 1 107 . 1 1 16 16 LYS C C 13 175.334 0.300 . 1 . . . . 16 LYS C . 10148 1 108 . 1 1 17 17 GLU N N 15 121.077 0.300 . 1 . . . . 17 GLU N . 10148 1 109 . 1 1 17 17 GLU H H 1 7.931 0.030 . 1 . . . . 17 GLU H . 10148 1 110 . 1 1 17 17 GLU CA C 13 55.463 0.300 . 1 . . . . 17 GLU CA . 10148 1 111 . 1 1 17 17 GLU HA H 1 4.300 0.030 . 1 . . . . 17 GLU HA . 10148 1 112 . 1 1 17 17 GLU CB C 13 31.984 0.300 . 1 . . . . 17 GLU CB . 10148 1 113 . 1 1 17 17 GLU HB2 H 1 1.765 0.030 . 2 . . . . 17 GLU HB2 . 10148 1 114 . 1 1 17 17 GLU HB3 H 1 1.693 0.030 . 2 . . . . 17 GLU HB3 . 10148 1 115 . 1 1 17 17 GLU CG C 13 36.506 0.300 . 1 . . . . 17 GLU CG . 10148 1 116 . 1 1 17 17 GLU HG2 H 1 1.989 0.030 . 2 . . . . 17 GLU HG2 . 10148 1 117 . 1 1 17 17 GLU HG3 H 1 2.057 0.030 . 2 . . . . 17 GLU HG3 . 10148 1 118 . 1 1 17 17 GLU C C 13 174.646 0.300 . 1 . . . . 17 GLU C . 10148 1 119 . 1 1 18 18 PHE N N 15 121.605 0.300 . 1 . . . . 18 PHE N . 10148 1 120 . 1 1 18 18 PHE H H 1 8.560 0.030 . 1 . . . . 18 PHE H . 10148 1 121 . 1 1 18 18 PHE CA C 13 56.963 0.300 . 1 . . . . 18 PHE CA . 10148 1 122 . 1 1 18 18 PHE HA H 1 4.675 0.030 . 1 . . . . 18 PHE HA . 10148 1 123 . 1 1 18 18 PHE CB C 13 39.653 0.300 . 1 . . . . 18 PHE CB . 10148 1 124 . 1 1 18 18 PHE HB2 H 1 2.937 0.030 . 2 . . . . 18 PHE HB2 . 10148 1 125 . 1 1 18 18 PHE HB3 H 1 2.993 0.030 . 2 . . . . 18 PHE HB3 . 10148 1 126 . 1 1 18 18 PHE CD1 C 13 131.555 0.300 . 1 . . . . 18 PHE CD1 . 10148 1 127 . 1 1 18 18 PHE HD1 H 1 7.040 0.030 . 1 . . . . 18 PHE HD1 . 10148 1 128 . 1 1 18 18 PHE CD2 C 13 131.555 0.300 . 1 . . . . 18 PHE CD2 . 10148 1 129 . 1 1 18 18 PHE HD2 H 1 7.040 0.030 . 1 . . . . 18 PHE HD2 . 10148 1 130 . 1 1 18 18 PHE CE1 C 13 131.477 0.300 . 1 . . . . 18 PHE CE1 . 10148 1 131 . 1 1 18 18 PHE HE1 H 1 7.306 0.030 . 1 . . . . 18 PHE HE1 . 10148 1 132 . 1 1 18 18 PHE CE2 C 13 131.477 0.300 . 1 . . . . 18 PHE CE2 . 10148 1 133 . 1 1 18 18 PHE HE2 H 1 7.306 0.030 . 1 . . . . 18 PHE HE2 . 10148 1 134 . 1 1 18 18 PHE C C 13 173.933 0.300 . 1 . . . . 18 PHE C . 10148 1 135 . 1 1 19 19 ILE N N 15 123.977 0.300 . 1 . . . . 19 ILE N . 10148 1 136 . 1 1 19 19 ILE H H 1 8.425 0.030 . 1 . . . . 19 ILE H . 10148 1 137 . 1 1 19 19 ILE CA C 13 59.740 0.300 . 1 . . . . 19 ILE CA . 10148 1 138 . 1 1 19 19 ILE HA H 1 4.654 0.030 . 1 . . . . 19 ILE HA . 10148 1 139 . 1 1 19 19 ILE CB C 13 41.000 0.300 . 1 . . . . 19 ILE CB . 10148 1 140 . 1 1 19 19 ILE HB H 1 1.450 0.030 . 1 . . . . 19 ILE HB . 10148 1 141 . 1 1 19 19 ILE CG1 C 13 27.048 0.300 . 1 . . . . 19 ILE CG1 . 10148 1 142 . 1 1 19 19 ILE HG12 H 1 0.101 0.030 . 2 . . . . 19 ILE HG12 . 10148 1 143 . 1 1 19 19 ILE HG13 H 1 1.097 0.030 . 2 . . . . 19 ILE HG13 . 10148 1 144 . 1 1 19 19 ILE CG2 C 13 16.793 0.300 . 1 . . . . 19 ILE CG2 . 10148 1 145 . 1 1 19 19 ILE HG21 H 1 0.612 0.030 . 1 . . . . 19 ILE HG2 . 10148 1 146 . 1 1 19 19 ILE HG22 H 1 0.612 0.030 . 1 . . . . 19 ILE HG2 . 10148 1 147 . 1 1 19 19 ILE HG23 H 1 0.612 0.030 . 1 . . . . 19 ILE HG2 . 10148 1 148 . 1 1 19 19 ILE CD1 C 13 13.459 0.300 . 1 . . . . 19 ILE CD1 . 10148 1 149 . 1 1 19 19 ILE HD11 H 1 0.573 0.030 . 1 . . . . 19 ILE HD1 . 10148 1 150 . 1 1 19 19 ILE HD12 H 1 0.573 0.030 . 1 . . . . 19 ILE HD1 . 10148 1 151 . 1 1 19 19 ILE HD13 H 1 0.573 0.030 . 1 . . . . 19 ILE HD1 . 10148 1 152 . 1 1 19 19 ILE C C 13 175.584 0.300 . 1 . . . . 19 ILE C . 10148 1 153 . 1 1 20 20 CYS N N 15 129.741 0.300 . 1 . . . . 20 CYS N . 10148 1 154 . 1 1 20 20 CYS H H 1 9.224 0.030 . 1 . . . . 20 CYS H . 10148 1 155 . 1 1 20 20 CYS CA C 13 59.974 0.300 . 1 . . . . 20 CYS CA . 10148 1 156 . 1 1 20 20 CYS HA H 1 4.827 0.030 . 1 . . . . 20 CYS HA . 10148 1 157 . 1 1 20 20 CYS CB C 13 30.335 0.300 . 1 . . . . 20 CYS CB . 10148 1 158 . 1 1 20 20 CYS HB2 H 1 3.470 0.030 . 2 . . . . 20 CYS HB2 . 10148 1 159 . 1 1 20 20 CYS HB3 H 1 3.056 0.030 . 2 . . . . 20 CYS HB3 . 10148 1 160 . 1 1 20 20 CYS C C 13 178.043 0.300 . 1 . . . . 20 CYS C . 10148 1 161 . 1 1 21 21 LYS N N 15 132.598 0.300 . 1 . . . . 21 LYS N . 10148 1 162 . 1 1 21 21 LYS H H 1 9.473 0.030 . 1 . . . . 21 LYS H . 10148 1 163 . 1 1 21 21 LYS CA C 13 58.099 0.300 . 1 . . . . 21 LYS CA . 10148 1 164 . 1 1 21 21 LYS HA H 1 4.104 0.030 . 1 . . . . 21 LYS HA . 10148 1 165 . 1 1 21 21 LYS CB C 13 31.695 0.300 . 1 . . . . 21 LYS CB . 10148 1 166 . 1 1 21 21 LYS HB2 H 1 1.623 0.030 . 1 . . . . 21 LYS HB2 . 10148 1 167 . 1 1 21 21 LYS HB3 H 1 1.623 0.030 . 1 . . . . 21 LYS HB3 . 10148 1 168 . 1 1 21 21 LYS CG C 13 23.188 0.300 . 1 . . . . 21 LYS CG . 10148 1 169 . 1 1 21 21 LYS HG2 H 1 0.310 0.030 . 2 . . . . 21 LYS HG2 . 10148 1 170 . 1 1 21 21 LYS HG3 H 1 1.136 0.030 . 2 . . . . 21 LYS HG3 . 10148 1 171 . 1 1 21 21 LYS CD C 13 29.283 0.300 . 1 . . . . 21 LYS CD . 10148 1 172 . 1 1 21 21 LYS HD2 H 1 1.408 0.030 . 1 . . . . 21 LYS HD2 . 10148 1 173 . 1 1 21 21 LYS HD3 H 1 1.408 0.030 . 1 . . . . 21 LYS HD3 . 10148 1 174 . 1 1 21 21 LYS CE C 13 41.940 0.300 . 1 . . . . 21 LYS CE . 10148 1 175 . 1 1 21 21 LYS HE2 H 1 2.713 0.030 . 1 . . . . 21 LYS HE2 . 10148 1 176 . 1 1 21 21 LYS HE3 H 1 2.713 0.030 . 1 . . . . 21 LYS HE3 . 10148 1 177 . 1 1 21 21 LYS C C 13 175.765 0.300 . 1 . . . . 21 LYS C . 10148 1 178 . 1 1 22 22 PHE N N 15 121.000 0.300 . 1 . . . . 22 PHE N . 10148 1 179 . 1 1 22 22 PHE H H 1 9.158 0.030 . 1 . . . . 22 PHE H . 10148 1 180 . 1 1 22 22 PHE CA C 13 59.743 0.300 . 1 . . . . 22 PHE CA . 10148 1 181 . 1 1 22 22 PHE HA H 1 4.394 0.030 . 1 . . . . 22 PHE HA . 10148 1 182 . 1 1 22 22 PHE CB C 13 37.953 0.300 . 1 . . . . 22 PHE CB . 10148 1 183 . 1 1 22 22 PHE HB2 H 1 2.404 0.030 . 2 . . . . 22 PHE HB2 . 10148 1 184 . 1 1 22 22 PHE HB3 H 1 1.681 0.030 . 2 . . . . 22 PHE HB3 . 10148 1 185 . 1 1 22 22 PHE CD1 C 13 132.108 0.300 . 1 . . . . 22 PHE CD1 . 10148 1 186 . 1 1 22 22 PHE HD1 H 1 6.962 0.030 . 1 . . . . 22 PHE HD1 . 10148 1 187 . 1 1 22 22 PHE CD2 C 13 132.108 0.300 . 1 . . . . 22 PHE CD2 . 10148 1 188 . 1 1 22 22 PHE HD2 H 1 6.962 0.030 . 1 . . . . 22 PHE HD2 . 10148 1 189 . 1 1 22 22 PHE CE1 C 13 131.362 0.300 . 1 . . . . 22 PHE CE1 . 10148 1 190 . 1 1 22 22 PHE HE1 H 1 7.229 0.030 . 1 . . . . 22 PHE HE1 . 10148 1 191 . 1 1 22 22 PHE CE2 C 13 131.362 0.300 . 1 . . . . 22 PHE CE2 . 10148 1 192 . 1 1 22 22 PHE HE2 H 1 7.229 0.030 . 1 . . . . 22 PHE HE2 . 10148 1 193 . 1 1 22 22 PHE CZ C 13 129.944 0.300 . 1 . . . . 22 PHE CZ . 10148 1 194 . 1 1 22 22 PHE HZ H 1 7.217 0.030 . 1 . . . . 22 PHE HZ . 10148 1 195 . 1 1 22 22 PHE C C 13 176.819 0.300 . 1 . . . . 22 PHE C . 10148 1 196 . 1 1 23 23 CYS N N 15 115.955 0.300 . 1 . . . . 23 CYS N . 10148 1 197 . 1 1 23 23 CYS H H 1 8.410 0.030 . 1 . . . . 23 CYS H . 10148 1 198 . 1 1 23 23 CYS CA C 13 58.486 0.300 . 1 . . . . 23 CYS CA . 10148 1 199 . 1 1 23 23 CYS HA H 1 5.262 0.030 . 1 . . . . 23 CYS HA . 10148 1 200 . 1 1 23 23 CYS CB C 13 33.092 0.300 . 1 . . . . 23 CYS CB . 10148 1 201 . 1 1 23 23 CYS HB2 H 1 3.503 0.030 . 2 . . . . 23 CYS HB2 . 10148 1 202 . 1 1 23 23 CYS HB3 H 1 2.910 0.030 . 2 . . . . 23 CYS HB3 . 10148 1 203 . 1 1 23 23 CYS C C 13 176.770 0.300 . 1 . . . . 23 CYS C . 10148 1 204 . 1 1 24 24 GLY N N 15 112.575 0.300 . 1 . . . . 24 GLY N . 10148 1 205 . 1 1 24 24 GLY H H 1 8.092 0.030 . 1 . . . . 24 GLY H . 10148 1 206 . 1 1 24 24 GLY CA C 13 46.302 0.300 . 1 . . . . 24 GLY CA . 10148 1 207 . 1 1 24 24 GLY HA2 H 1 4.238 0.030 . 2 . . . . 24 GLY HA2 . 10148 1 208 . 1 1 24 24 GLY HA3 H 1 3.776 0.030 . 2 . . . . 24 GLY HA3 . 10148 1 209 . 1 1 24 24 GLY C C 13 173.621 0.300 . 1 . . . . 24 GLY C . 10148 1 210 . 1 1 25 25 ARG N N 15 122.678 0.300 . 1 . . . . 25 ARG N . 10148 1 211 . 1 1 25 25 ARG H H 1 8.079 0.030 . 1 . . . . 25 ARG H . 10148 1 212 . 1 1 25 25 ARG CA C 13 58.063 0.300 . 1 . . . . 25 ARG CA . 10148 1 213 . 1 1 25 25 ARG HA H 1 4.096 0.030 . 1 . . . . 25 ARG HA . 10148 1 214 . 1 1 25 25 ARG CB C 13 31.628 0.300 . 1 . . . . 25 ARG CB . 10148 1 215 . 1 1 25 25 ARG HB2 H 1 1.606 0.030 . 2 . . . . 25 ARG HB2 . 10148 1 216 . 1 1 25 25 ARG HB3 H 1 1.329 0.030 . 2 . . . . 25 ARG HB3 . 10148 1 217 . 1 1 25 25 ARG CG C 13 27.667 0.300 . 1 . . . . 25 ARG CG . 10148 1 218 . 1 1 25 25 ARG HG2 H 1 1.739 0.030 . 2 . . . . 25 ARG HG2 . 10148 1 219 . 1 1 25 25 ARG HG3 H 1 1.208 0.030 . 2 . . . . 25 ARG HG3 . 10148 1 220 . 1 1 25 25 ARG CD C 13 43.643 0.300 . 1 . . . . 25 ARG CD . 10148 1 221 . 1 1 25 25 ARG HD2 H 1 2.666 0.030 . 2 . . . . 25 ARG HD2 . 10148 1 222 . 1 1 25 25 ARG HD3 H 1 2.984 0.030 . 2 . . . . 25 ARG HD3 . 10148 1 223 . 1 1 25 25 ARG C C 13 174.641 0.300 . 1 . . . . 25 ARG C . 10148 1 224 . 1 1 26 26 HIS N N 15 121.510 0.300 . 1 . . . . 26 HIS N . 10148 1 225 . 1 1 26 26 HIS H H 1 8.454 0.030 . 1 . . . . 26 HIS H . 10148 1 226 . 1 1 26 26 HIS CA C 13 55.553 0.300 . 1 . . . . 26 HIS CA . 10148 1 227 . 1 1 26 26 HIS HA H 1 5.166 0.030 . 1 . . . . 26 HIS HA . 10148 1 228 . 1 1 26 26 HIS CB C 13 32.066 0.300 . 1 . . . . 26 HIS CB . 10148 1 229 . 1 1 26 26 HIS HB2 H 1 2.962 0.030 . 2 . . . . 26 HIS HB2 . 10148 1 230 . 1 1 26 26 HIS HB3 H 1 2.901 0.030 . 2 . . . . 26 HIS HB3 . 10148 1 231 . 1 1 26 26 HIS CD2 C 13 120.105 0.300 . 1 . . . . 26 HIS CD2 . 10148 1 232 . 1 1 26 26 HIS HD2 H 1 7.302 0.030 . 1 . . . . 26 HIS HD2 . 10148 1 233 . 1 1 26 26 HIS CE1 C 13 137.118 0.300 . 1 . . . . 26 HIS CE1 . 10148 1 234 . 1 1 26 26 HIS HE1 H 1 7.938 0.030 . 1 . . . . 26 HIS HE1 . 10148 1 235 . 1 1 26 26 HIS C C 13 174.732 0.300 . 1 . . . . 26 HIS C . 10148 1 236 . 1 1 27 27 PHE N N 15 119.065 0.300 . 1 . . . . 27 PHE N . 10148 1 237 . 1 1 27 27 PHE H H 1 9.035 0.030 . 1 . . . . 27 PHE H . 10148 1 238 . 1 1 27 27 PHE CA C 13 57.515 0.300 . 1 . . . . 27 PHE CA . 10148 1 239 . 1 1 27 27 PHE HA H 1 4.724 0.030 . 1 . . . . 27 PHE HA . 10148 1 240 . 1 1 27 27 PHE CB C 13 43.276 0.300 . 1 . . . . 27 PHE CB . 10148 1 241 . 1 1 27 27 PHE HB2 H 1 2.655 0.030 . 2 . . . . 27 PHE HB2 . 10148 1 242 . 1 1 27 27 PHE HB3 H 1 3.356 0.030 . 2 . . . . 27 PHE HB3 . 10148 1 243 . 1 1 27 27 PHE CD1 C 13 132.343 0.300 . 1 . . . . 27 PHE CD1 . 10148 1 244 . 1 1 27 27 PHE HD1 H 1 7.279 0.030 . 1 . . . . 27 PHE HD1 . 10148 1 245 . 1 1 27 27 PHE CD2 C 13 132.343 0.300 . 1 . . . . 27 PHE CD2 . 10148 1 246 . 1 1 27 27 PHE HD2 H 1 7.279 0.030 . 1 . . . . 27 PHE HD2 . 10148 1 247 . 1 1 27 27 PHE CE1 C 13 130.592 0.300 . 1 . . . . 27 PHE CE1 . 10148 1 248 . 1 1 27 27 PHE HE1 H 1 6.851 0.030 . 1 . . . . 27 PHE HE1 . 10148 1 249 . 1 1 27 27 PHE CE2 C 13 130.592 0.300 . 1 . . . . 27 PHE CE2 . 10148 1 250 . 1 1 27 27 PHE HE2 H 1 6.851 0.030 . 1 . . . . 27 PHE HE2 . 10148 1 251 . 1 1 27 27 PHE CZ C 13 128.542 0.300 . 1 . . . . 27 PHE CZ . 10148 1 252 . 1 1 27 27 PHE HZ H 1 6.099 0.030 . 1 . . . . 27 PHE HZ . 10148 1 253 . 1 1 27 27 PHE C C 13 175.205 0.300 . 1 . . . . 27 PHE C . 10148 1 254 . 1 1 28 28 THR CA C 13 62.856 0.300 . 1 . . . . 28 THR CA . 10148 1 255 . 1 1 28 28 THR HA H 1 4.691 0.030 . 1 . . . . 28 THR HA . 10148 1 256 . 1 1 28 28 THR CB C 13 69.897 0.300 . 1 . . . . 28 THR CB . 10148 1 257 . 1 1 28 28 THR HB H 1 4.498 0.030 . 1 . . . . 28 THR HB . 10148 1 258 . 1 1 28 28 THR CG2 C 13 22.346 0.300 . 1 . . . . 28 THR CG2 . 10148 1 259 . 1 1 28 28 THR HG21 H 1 1.339 0.030 . 1 . . . . 28 THR HG2 . 10148 1 260 . 1 1 28 28 THR HG22 H 1 1.339 0.030 . 1 . . . . 28 THR HG2 . 10148 1 261 . 1 1 28 28 THR HG23 H 1 1.339 0.030 . 1 . . . . 28 THR HG2 . 10148 1 262 . 1 1 28 28 THR C C 13 174.714 0.300 . 1 . . . . 28 THR C . 10148 1 263 . 1 1 29 29 LYS N N 15 118.993 0.300 . 1 . . . . 29 LYS N . 10148 1 264 . 1 1 29 29 LYS H H 1 7.456 0.030 . 1 . . . . 29 LYS H . 10148 1 265 . 1 1 29 29 LYS CA C 13 54.239 0.300 . 1 . . . . 29 LYS CA . 10148 1 266 . 1 1 29 29 LYS HA H 1 4.573 0.030 . 1 . . . . 29 LYS HA . 10148 1 267 . 1 1 29 29 LYS CB C 13 35.412 0.300 . 1 . . . . 29 LYS CB . 10148 1 268 . 1 1 29 29 LYS HB2 H 1 1.706 0.030 . 1 . . . . 29 LYS HB2 . 10148 1 269 . 1 1 29 29 LYS HB3 H 1 1.706 0.030 . 1 . . . . 29 LYS HB3 . 10148 1 270 . 1 1 29 29 LYS CG C 13 24.642 0.300 . 1 . . . . 29 LYS CG . 10148 1 271 . 1 1 29 29 LYS HG2 H 1 1.469 0.030 . 1 . . . . 29 LYS HG2 . 10148 1 272 . 1 1 29 29 LYS HG3 H 1 1.469 0.030 . 1 . . . . 29 LYS HG3 . 10148 1 273 . 1 1 29 29 LYS CD C 13 29.071 0.300 . 1 . . . . 29 LYS CD . 10148 1 274 . 1 1 29 29 LYS HD2 H 1 1.683 0.030 . 2 . . . . 29 LYS HD2 . 10148 1 275 . 1 1 29 29 LYS HD3 H 1 1.769 0.030 . 2 . . . . 29 LYS HD3 . 10148 1 276 . 1 1 29 29 LYS CE C 13 42.301 0.300 . 1 . . . . 29 LYS CE . 10148 1 277 . 1 1 29 29 LYS HE2 H 1 3.013 0.030 . 1 . . . . 29 LYS HE2 . 10148 1 278 . 1 1 29 29 LYS HE3 H 1 3.013 0.030 . 1 . . . . 29 LYS HE3 . 10148 1 279 . 1 1 29 29 LYS C C 13 176.395 0.300 . 1 . . . . 29 LYS C . 10148 1 280 . 1 1 30 30 SER CA C 13 60.921 0.300 . 1 . . . . 30 SER CA . 10148 1 281 . 1 1 30 30 SER HA H 1 3.025 0.030 . 1 . . . . 30 SER HA . 10148 1 282 . 1 1 30 30 SER CB C 13 61.703 0.300 . 1 . . . . 30 SER CB . 10148 1 283 . 1 1 30 30 SER HB2 H 1 3.499 0.030 . 2 . . . . 30 SER HB2 . 10148 1 284 . 1 1 30 30 SER HB3 H 1 3.306 0.030 . 2 . . . . 30 SER HB3 . 10148 1 285 . 1 1 31 31 TYR CA C 13 60.807 0.300 . 1 . . . . 31 TYR CA . 10148 1 286 . 1 1 31 31 TYR HA H 1 4.101 0.030 . 1 . . . . 31 TYR HA . 10148 1 287 . 1 1 31 31 TYR CB C 13 38.408 0.300 . 1 . . . . 31 TYR CB . 10148 1 288 . 1 1 31 31 TYR HB2 H 1 3.175 0.030 . 2 . . . . 31 TYR HB2 . 10148 1 289 . 1 1 31 31 TYR HB3 H 1 2.591 0.030 . 2 . . . . 31 TYR HB3 . 10148 1 290 . 1 1 31 31 TYR CD1 C 13 133.282 0.300 . 1 . . . . 31 TYR CD1 . 10148 1 291 . 1 1 31 31 TYR HD1 H 1 7.006 0.030 . 1 . . . . 31 TYR HD1 . 10148 1 292 . 1 1 31 31 TYR CD2 C 13 133.282 0.300 . 1 . . . . 31 TYR CD2 . 10148 1 293 . 1 1 31 31 TYR HD2 H 1 7.006 0.030 . 1 . . . . 31 TYR HD2 . 10148 1 294 . 1 1 31 31 TYR CE1 C 13 118.322 0.300 . 1 . . . . 31 TYR CE1 . 10148 1 295 . 1 1 31 31 TYR HE1 H 1 6.752 0.030 . 1 . . . . 31 TYR HE1 . 10148 1 296 . 1 1 31 31 TYR CE2 C 13 118.322 0.300 . 1 . . . . 31 TYR CE2 . 10148 1 297 . 1 1 31 31 TYR HE2 H 1 6.752 0.030 . 1 . . . . 31 TYR HE2 . 10148 1 298 . 1 1 31 31 TYR C C 13 176.455 0.300 . 1 . . . . 31 TYR C . 10148 1 299 . 1 1 32 32 ASN N N 15 114.304 0.300 . 1 . . . . 32 ASN N . 10148 1 300 . 1 1 32 32 ASN H H 1 6.481 0.030 . 1 . . . . 32 ASN H . 10148 1 301 . 1 1 32 32 ASN CA C 13 55.198 0.300 . 1 . . . . 32 ASN CA . 10148 1 302 . 1 1 32 32 ASN HA H 1 4.283 0.030 . 1 . . . . 32 ASN HA . 10148 1 303 . 1 1 32 32 ASN CB C 13 37.912 0.300 . 1 . . . . 32 ASN CB . 10148 1 304 . 1 1 32 32 ASN HB2 H 1 2.856 0.030 . 1 . . . . 32 ASN HB2 . 10148 1 305 . 1 1 32 32 ASN HB3 H 1 2.856 0.030 . 1 . . . . 32 ASN HB3 . 10148 1 306 . 1 1 32 32 ASN ND2 N 15 112.830 0.300 . 1 . . . . 32 ASN ND2 . 10148 1 307 . 1 1 32 32 ASN HD21 H 1 8.027 0.030 . 2 . . . . 32 ASN HD21 . 10148 1 308 . 1 1 32 32 ASN HD22 H 1 7.237 0.030 . 2 . . . . 32 ASN HD22 . 10148 1 309 . 1 1 32 32 ASN C C 13 177.633 0.300 . 1 . . . . 32 ASN C . 10148 1 310 . 1 1 33 33 LEU N N 15 121.854 0.300 . 1 . . . . 33 LEU N . 10148 1 311 . 1 1 33 33 LEU H H 1 7.002 0.030 . 1 . . . . 33 LEU H . 10148 1 312 . 1 1 33 33 LEU CA C 13 57.820 0.300 . 1 . . . . 33 LEU CA . 10148 1 313 . 1 1 33 33 LEU HA H 1 2.922 0.030 . 1 . . . . 33 LEU HA . 10148 1 314 . 1 1 33 33 LEU CB C 13 40.350 0.300 . 1 . . . . 33 LEU CB . 10148 1 315 . 1 1 33 33 LEU HB2 H 1 1.884 0.030 . 2 . . . . 33 LEU HB2 . 10148 1 316 . 1 1 33 33 LEU HB3 H 1 1.071 0.030 . 2 . . . . 33 LEU HB3 . 10148 1 317 . 1 1 33 33 LEU CG C 13 27.361 0.300 . 1 . . . . 33 LEU CG . 10148 1 318 . 1 1 33 33 LEU HG H 1 1.445 0.030 . 1 . . . . 33 LEU HG . 10148 1 319 . 1 1 33 33 LEU CD1 C 13 22.999 0.300 . 2 . . . . 33 LEU CD1 . 10148 1 320 . 1 1 33 33 LEU HD11 H 1 0.964 0.030 . 1 . . . . 33 LEU HD1 . 10148 1 321 . 1 1 33 33 LEU HD12 H 1 0.964 0.030 . 1 . . . . 33 LEU HD1 . 10148 1 322 . 1 1 33 33 LEU HD13 H 1 0.964 0.030 . 1 . . . . 33 LEU HD1 . 10148 1 323 . 1 1 33 33 LEU CD2 C 13 26.253 0.300 . 2 . . . . 33 LEU CD2 . 10148 1 324 . 1 1 33 33 LEU HD21 H 1 0.992 0.030 . 1 . . . . 33 LEU HD2 . 10148 1 325 . 1 1 33 33 LEU HD22 H 1 0.992 0.030 . 1 . . . . 33 LEU HD2 . 10148 1 326 . 1 1 33 33 LEU HD23 H 1 0.992 0.030 . 1 . . . . 33 LEU HD2 . 10148 1 327 . 1 1 33 33 LEU C C 13 176.900 0.300 . 1 . . . . 33 LEU C . 10148 1 328 . 1 1 34 34 LEU N N 15 120.140 0.300 . 1 . . . . 34 LEU N . 10148 1 329 . 1 1 34 34 LEU H H 1 7.795 0.030 . 1 . . . . 34 LEU H . 10148 1 330 . 1 1 34 34 LEU CA C 13 58.506 0.300 . 1 . . . . 34 LEU CA . 10148 1 331 . 1 1 34 34 LEU HA H 1 3.933 0.030 . 1 . . . . 34 LEU HA . 10148 1 332 . 1 1 34 34 LEU CB C 13 41.523 0.300 . 1 . . . . 34 LEU CB . 10148 1 333 . 1 1 34 34 LEU HB2 H 1 1.556 0.030 . 2 . . . . 34 LEU HB2 . 10148 1 334 . 1 1 34 34 LEU HB3 H 1 1.614 0.030 . 2 . . . . 34 LEU HB3 . 10148 1 335 . 1 1 34 34 LEU CG C 13 26.917 0.300 . 1 . . . . 34 LEU CG . 10148 1 336 . 1 1 34 34 LEU HG H 1 1.544 0.030 . 1 . . . . 34 LEU HG . 10148 1 337 . 1 1 34 34 LEU CD1 C 13 24.817 0.300 . 2 . . . . 34 LEU CD1 . 10148 1 338 . 1 1 34 34 LEU HD11 H 1 0.836 0.030 . 1 . . . . 34 LEU HD1 . 10148 1 339 . 1 1 34 34 LEU HD12 H 1 0.836 0.030 . 1 . . . . 34 LEU HD1 . 10148 1 340 . 1 1 34 34 LEU HD13 H 1 0.836 0.030 . 1 . . . . 34 LEU HD1 . 10148 1 341 . 1 1 34 34 LEU CD2 C 13 23.929 0.300 . 2 . . . . 34 LEU CD2 . 10148 1 342 . 1 1 34 34 LEU HD21 H 1 0.797 0.030 . 1 . . . . 34 LEU HD2 . 10148 1 343 . 1 1 34 34 LEU HD22 H 1 0.797 0.030 . 1 . . . . 34 LEU HD2 . 10148 1 344 . 1 1 34 34 LEU HD23 H 1 0.797 0.030 . 1 . . . . 34 LEU HD2 . 10148 1 345 . 1 1 34 34 LEU C C 13 179.914 0.300 . 1 . . . . 34 LEU C . 10148 1 346 . 1 1 35 35 ILE N N 15 116.693 0.300 . 1 . . . . 35 ILE N . 10148 1 347 . 1 1 35 35 ILE H H 1 7.368 0.030 . 1 . . . . 35 ILE H . 10148 1 348 . 1 1 35 35 ILE CA C 13 63.641 0.300 . 1 . . . . 35 ILE CA . 10148 1 349 . 1 1 35 35 ILE HA H 1 3.533 0.030 . 1 . . . . 35 ILE HA . 10148 1 350 . 1 1 35 35 ILE CB C 13 37.380 0.300 . 1 . . . . 35 ILE CB . 10148 1 351 . 1 1 35 35 ILE HB H 1 1.661 0.030 . 1 . . . . 35 ILE HB . 10148 1 352 . 1 1 35 35 ILE CG1 C 13 27.681 0.300 . 1 . . . . 35 ILE CG1 . 10148 1 353 . 1 1 35 35 ILE HG12 H 1 0.990 0.030 . 2 . . . . 35 ILE HG12 . 10148 1 354 . 1 1 35 35 ILE HG13 H 1 1.230 0.030 . 2 . . . . 35 ILE HG13 . 10148 1 355 . 1 1 35 35 ILE CG2 C 13 17.311 0.300 . 1 . . . . 35 ILE CG2 . 10148 1 356 . 1 1 35 35 ILE HG21 H 1 0.760 0.030 . 1 . . . . 35 ILE HG2 . 10148 1 357 . 1 1 35 35 ILE HG22 H 1 0.760 0.030 . 1 . . . . 35 ILE HG2 . 10148 1 358 . 1 1 35 35 ILE HG23 H 1 0.760 0.030 . 1 . . . . 35 ILE HG2 . 10148 1 359 . 1 1 35 35 ILE CD1 C 13 11.499 0.300 . 1 . . . . 35 ILE CD1 . 10148 1 360 . 1 1 35 35 ILE HD11 H 1 0.607 0.030 . 1 . . . . 35 ILE HD1 . 10148 1 361 . 1 1 35 35 ILE HD12 H 1 0.607 0.030 . 1 . . . . 35 ILE HD1 . 10148 1 362 . 1 1 35 35 ILE HD13 H 1 0.607 0.030 . 1 . . . . 35 ILE HD1 . 10148 1 363 . 1 1 35 35 ILE C C 13 178.700 0.300 . 1 . . . . 35 ILE C . 10148 1 364 . 1 1 36 36 HIS N N 15 119.039 0.300 . 1 . . . . 36 HIS N . 10148 1 365 . 1 1 36 36 HIS H H 1 7.424 0.030 . 1 . . . . 36 HIS H . 10148 1 366 . 1 1 36 36 HIS CA C 13 59.486 0.300 . 1 . . . . 36 HIS CA . 10148 1 367 . 1 1 36 36 HIS HA H 1 4.282 0.030 . 1 . . . . 36 HIS HA . 10148 1 368 . 1 1 36 36 HIS CB C 13 28.563 0.300 . 1 . . . . 36 HIS CB . 10148 1 369 . 1 1 36 36 HIS HB2 H 1 2.960 0.030 . 1 . . . . 36 HIS HB2 . 10148 1 370 . 1 1 36 36 HIS HB3 H 1 2.960 0.030 . 1 . . . . 36 HIS HB3 . 10148 1 371 . 1 1 36 36 HIS CD2 C 13 128.243 0.300 . 1 . . . . 36 HIS CD2 . 10148 1 372 . 1 1 36 36 HIS HD2 H 1 7.196 0.030 . 1 . . . . 36 HIS HD2 . 10148 1 373 . 1 1 36 36 HIS CE1 C 13 139.561 0.300 . 1 . . . . 36 HIS CE1 . 10148 1 374 . 1 1 36 36 HIS HE1 H 1 8.028 0.030 . 1 . . . . 36 HIS HE1 . 10148 1 375 . 1 1 36 36 HIS C C 13 178.907 0.300 . 1 . . . . 36 HIS C . 10148 1 376 . 1 1 37 37 GLU N N 15 122.627 0.300 . 1 . . . . 37 GLU N . 10148 1 377 . 1 1 37 37 GLU H H 1 9.459 0.030 . 1 . . . . 37 GLU H . 10148 1 378 . 1 1 37 37 GLU CA C 13 61.473 0.300 . 1 . . . . 37 GLU CA . 10148 1 379 . 1 1 37 37 GLU HA H 1 3.922 0.030 . 1 . . . . 37 GLU HA . 10148 1 380 . 1 1 37 37 GLU CB C 13 30.028 0.300 . 1 . . . . 37 GLU CB . 10148 1 381 . 1 1 37 37 GLU HB2 H 1 2.296 0.030 . 2 . . . . 37 GLU HB2 . 10148 1 382 . 1 1 37 37 GLU HB3 H 1 2.220 0.030 . 2 . . . . 37 GLU HB3 . 10148 1 383 . 1 1 37 37 GLU CG C 13 38.908 0.300 . 1 . . . . 37 GLU CG . 10148 1 384 . 1 1 37 37 GLU HG2 H 1 2.884 0.030 . 2 . . . . 37 GLU HG2 . 10148 1 385 . 1 1 37 37 GLU HG3 H 1 3.042 0.030 . 2 . . . . 37 GLU HG3 . 10148 1 386 . 1 1 37 37 GLU C C 13 178.840 0.300 . 1 . . . . 37 GLU C . 10148 1 387 . 1 1 38 38 ARG N N 15 116.143 0.300 . 1 . . . . 38 ARG N . 10148 1 388 . 1 1 38 38 ARG H H 1 7.244 0.030 . 1 . . . . 38 ARG H . 10148 1 389 . 1 1 38 38 ARG CA C 13 58.258 0.300 . 1 . . . . 38 ARG CA . 10148 1 390 . 1 1 38 38 ARG HA H 1 4.129 0.030 . 1 . . . . 38 ARG HA . 10148 1 391 . 1 1 38 38 ARG CB C 13 30.054 0.300 . 1 . . . . 38 ARG CB . 10148 1 392 . 1 1 38 38 ARG HB2 H 1 1.823 0.030 . 2 . . . . 38 ARG HB2 . 10148 1 393 . 1 1 38 38 ARG HB3 H 1 1.914 0.030 . 2 . . . . 38 ARG HB3 . 10148 1 394 . 1 1 38 38 ARG CG C 13 27.439 0.300 . 1 . . . . 38 ARG CG . 10148 1 395 . 1 1 38 38 ARG HG2 H 1 1.675 0.030 . 2 . . . . 38 ARG HG2 . 10148 1 396 . 1 1 38 38 ARG HG3 H 1 1.847 0.030 . 2 . . . . 38 ARG HG3 . 10148 1 397 . 1 1 38 38 ARG CD C 13 43.705 0.300 . 1 . . . . 38 ARG CD . 10148 1 398 . 1 1 38 38 ARG HD2 H 1 3.105 0.030 . 1 . . . . 38 ARG HD2 . 10148 1 399 . 1 1 38 38 ARG HD3 H 1 3.105 0.030 . 1 . . . . 38 ARG HD3 . 10148 1 400 . 1 1 38 38 ARG C C 13 177.863 0.300 . 1 . . . . 38 ARG C . 10148 1 401 . 1 1 39 39 THR N N 15 109.313 0.300 . 1 . . . . 39 THR N . 10148 1 402 . 1 1 39 39 THR H H 1 7.639 0.030 . 1 . . . . 39 THR H . 10148 1 403 . 1 1 39 39 THR CA C 13 63.892 0.300 . 1 . . . . 39 THR CA . 10148 1 404 . 1 1 39 39 THR HA H 1 4.075 0.030 . 1 . . . . 39 THR HA . 10148 1 405 . 1 1 39 39 THR CB C 13 69.337 0.300 . 1 . . . . 39 THR CB . 10148 1 406 . 1 1 39 39 THR HB H 1 4.007 0.030 . 1 . . . . 39 THR HB . 10148 1 407 . 1 1 39 39 THR CG2 C 13 21.143 0.300 . 1 . . . . 39 THR CG2 . 10148 1 408 . 1 1 39 39 THR HG21 H 1 1.217 0.030 . 1 . . . . 39 THR HG2 . 10148 1 409 . 1 1 39 39 THR HG22 H 1 1.217 0.030 . 1 . . . . 39 THR HG2 . 10148 1 410 . 1 1 39 39 THR HG23 H 1 1.217 0.030 . 1 . . . . 39 THR HG2 . 10148 1 411 . 1 1 39 39 THR C C 13 175.843 0.300 . 1 . . . . 39 THR C . 10148 1 412 . 1 1 40 40 HIS N N 15 119.019 0.300 . 1 . . . . 40 HIS N . 10148 1 413 . 1 1 40 40 HIS H H 1 7.046 0.030 . 1 . . . . 40 HIS H . 10148 1 414 . 1 1 40 40 HIS CA C 13 55.942 0.300 . 1 . . . . 40 HIS CA . 10148 1 415 . 1 1 40 40 HIS HA H 1 4.410 0.030 . 1 . . . . 40 HIS HA . 10148 1 416 . 1 1 40 40 HIS CB C 13 27.446 0.300 . 1 . . . . 40 HIS CB . 10148 1 417 . 1 1 40 40 HIS HB2 H 1 2.349 0.030 . 2 . . . . 40 HIS HB2 . 10148 1 418 . 1 1 40 40 HIS HB3 H 1 2.115 0.030 . 2 . . . . 40 HIS HB3 . 10148 1 419 . 1 1 40 40 HIS CD2 C 13 128.477 0.300 . 1 . . . . 40 HIS CD2 . 10148 1 420 . 1 1 40 40 HIS HD2 H 1 6.591 0.030 . 1 . . . . 40 HIS HD2 . 10148 1 421 . 1 1 40 40 HIS CE1 C 13 140.077 0.300 . 1 . . . . 40 HIS CE1 . 10148 1 422 . 1 1 40 40 HIS HE1 H 1 8.033 0.030 . 1 . . . . 40 HIS HE1 . 10148 1 423 . 1 1 40 40 HIS C C 13 175.528 0.300 . 1 . . . . 40 HIS C . 10148 1 424 . 1 1 41 41 THR N N 15 111.847 0.300 . 1 . . . . 41 THR N . 10148 1 425 . 1 1 41 41 THR H H 1 7.579 0.030 . 1 . . . . 41 THR H . 10148 1 426 . 1 1 41 41 THR CA C 13 62.200 0.300 . 1 . . . . 41 THR CA . 10148 1 427 . 1 1 41 41 THR HA H 1 4.152 0.030 . 1 . . . . 41 THR HA . 10148 1 428 . 1 1 41 41 THR CB C 13 69.440 0.300 . 1 . . . . 41 THR CB . 10148 1 429 . 1 1 41 41 THR HB H 1 4.253 0.030 . 1 . . . . 41 THR HB . 10148 1 430 . 1 1 41 41 THR CG2 C 13 21.644 0.300 . 1 . . . . 41 THR CG2 . 10148 1 431 . 1 1 41 41 THR HG21 H 1 1.084 0.030 . 1 . . . . 41 THR HG2 . 10148 1 432 . 1 1 41 41 THR HG22 H 1 1.084 0.030 . 1 . . . . 41 THR HG2 . 10148 1 433 . 1 1 41 41 THR HG23 H 1 1.084 0.030 . 1 . . . . 41 THR HG2 . 10148 1 434 . 1 1 41 41 THR C C 13 174.484 0.300 . 1 . . . . 41 THR C . 10148 1 435 . 1 1 42 42 ASP N N 15 122.207 0.300 . 1 . . . . 42 ASP N . 10148 1 436 . 1 1 42 42 ASP H H 1 8.191 0.030 . 1 . . . . 42 ASP H . 10148 1 437 . 1 1 42 42 ASP CA C 13 54.373 0.300 . 1 . . . . 42 ASP CA . 10148 1 438 . 1 1 42 42 ASP HA H 1 4.524 0.030 . 1 . . . . 42 ASP HA . 10148 1 439 . 1 1 42 42 ASP CB C 13 41.045 0.300 . 1 . . . . 42 ASP CB . 10148 1 440 . 1 1 42 42 ASP HB2 H 1 2.601 0.030 . 2 . . . . 42 ASP HB2 . 10148 1 441 . 1 1 42 42 ASP HB3 H 1 2.503 0.030 . 2 . . . . 42 ASP HB3 . 10148 1 442 . 1 1 42 42 ASP C C 13 175.869 0.300 . 1 . . . . 42 ASP C . 10148 1 443 . 1 1 43 43 GLU N N 15 120.562 0.300 . 1 . . . . 43 GLU N . 10148 1 444 . 1 1 43 43 GLU H H 1 8.064 0.030 . 1 . . . . 43 GLU H . 10148 1 445 . 1 1 43 43 GLU CA C 13 57.378 0.300 . 1 . . . . 43 GLU CA . 10148 1 446 . 1 1 43 43 GLU HA H 1 4.098 0.030 . 1 . . . . 43 GLU HA . 10148 1 447 . 1 1 43 43 GLU CB C 13 30.262 0.300 . 1 . . . . 43 GLU CB . 10148 1 448 . 1 1 43 43 GLU HB2 H 1 1.941 0.030 . 1 . . . . 43 GLU HB2 . 10148 1 449 . 1 1 43 43 GLU HB3 H 1 1.941 0.030 . 1 . . . . 43 GLU HB3 . 10148 1 450 . 1 1 43 43 GLU CG C 13 36.147 0.300 . 1 . . . . 43 GLU CG . 10148 1 451 . 1 1 43 43 GLU HG2 H 1 2.191 0.030 . 2 . . . . 43 GLU HG2 . 10148 1 452 . 1 1 43 43 GLU HG3 H 1 2.246 0.030 . 2 . . . . 43 GLU HG3 . 10148 1 453 . 1 1 43 43 GLU C C 13 176.313 0.300 . 1 . . . . 43 GLU C . 10148 1 454 . 1 1 44 44 ARG N N 15 120.015 0.300 . 1 . . . . 44 ARG N . 10148 1 455 . 1 1 44 44 ARG H H 1 8.190 0.030 . 1 . . . . 44 ARG H . 10148 1 456 . 1 1 44 44 ARG CA C 13 53.266 0.300 . 1 . . . . 44 ARG CA . 10148 1 457 . 1 1 44 44 ARG HA H 1 4.533 0.030 . 1 . . . . 44 ARG HA . 10148 1 458 . 1 1 44 44 ARG CB C 13 30.702 0.300 . 1 . . . . 44 ARG CB . 10148 1 459 . 1 1 44 44 ARG HB2 H 1 1.568 0.030 . 2 . . . . 44 ARG HB2 . 10148 1 460 . 1 1 44 44 ARG HB3 H 1 1.350 0.030 . 2 . . . . 44 ARG HB3 . 10148 1 461 . 1 1 44 44 ARG CG C 13 27.202 0.300 . 1 . . . . 44 ARG CG . 10148 1 462 . 1 1 44 44 ARG HG2 H 1 1.301 0.030 . 2 . . . . 44 ARG HG2 . 10148 1 463 . 1 1 44 44 ARG HG3 H 1 1.464 0.030 . 2 . . . . 44 ARG HG3 . 10148 1 464 . 1 1 44 44 ARG CD C 13 43.563 0.300 . 1 . . . . 44 ARG CD . 10148 1 465 . 1 1 44 44 ARG HD2 H 1 2.989 0.030 . 1 . . . . 44 ARG HD2 . 10148 1 466 . 1 1 44 44 ARG HD3 H 1 2.989 0.030 . 1 . . . . 44 ARG HD3 . 10148 1 467 . 1 1 44 44 ARG C C 13 173.360 0.300 . 1 . . . . 44 ARG C . 10148 1 468 . 1 1 45 45 PRO CA C 13 63.459 0.300 . 1 . . . . 45 PRO CA . 10148 1 469 . 1 1 45 45 PRO HA H 1 4.298 0.030 . 1 . . . . 45 PRO HA . 10148 1 470 . 1 1 45 45 PRO CB C 13 32.219 0.300 . 1 . . . . 45 PRO CB . 10148 1 471 . 1 1 45 45 PRO HB2 H 1 1.929 0.030 . 2 . . . . 45 PRO HB2 . 10148 1 472 . 1 1 45 45 PRO HB3 H 1 1.225 0.030 . 2 . . . . 45 PRO HB3 . 10148 1 473 . 1 1 45 45 PRO CG C 13 26.426 0.300 . 1 . . . . 45 PRO CG . 10148 1 474 . 1 1 45 45 PRO HG2 H 1 1.777 0.030 . 2 . . . . 45 PRO HG2 . 10148 1 475 . 1 1 45 45 PRO HG3 H 1 1.531 0.030 . 2 . . . . 45 PRO HG3 . 10148 1 476 . 1 1 45 45 PRO CD C 13 49.906 0.300 . 1 . . . . 45 PRO CD . 10148 1 477 . 1 1 45 45 PRO HD2 H 1 3.632 0.030 . 2 . . . . 45 PRO HD2 . 10148 1 478 . 1 1 45 45 PRO HD3 H 1 3.563 0.030 . 2 . . . . 45 PRO HD3 . 10148 1 479 . 1 1 45 45 PRO C C 13 176.492 0.300 . 1 . . . . 45 PRO C . 10148 1 480 . 1 1 46 46 TYR N N 15 119.184 0.300 . 1 . . . . 46 TYR N . 10148 1 481 . 1 1 46 46 TYR H H 1 7.840 0.030 . 1 . . . . 46 TYR H . 10148 1 482 . 1 1 46 46 TYR CA C 13 57.533 0.300 . 1 . . . . 46 TYR CA . 10148 1 483 . 1 1 46 46 TYR HA H 1 4.757 0.030 . 1 . . . . 46 TYR HA . 10148 1 484 . 1 1 46 46 TYR CB C 13 38.646 0.300 . 1 . . . . 46 TYR CB . 10148 1 485 . 1 1 46 46 TYR HB2 H 1 2.994 0.030 . 2 . . . . 46 TYR HB2 . 10148 1 486 . 1 1 46 46 TYR HB3 H 1 2.755 0.030 . 2 . . . . 46 TYR HB3 . 10148 1 487 . 1 1 46 46 TYR CD1 C 13 133.184 0.300 . 1 . . . . 46 TYR CD1 . 10148 1 488 . 1 1 46 46 TYR HD1 H 1 6.976 0.030 . 1 . . . . 46 TYR HD1 . 10148 1 489 . 1 1 46 46 TYR CD2 C 13 133.184 0.300 . 1 . . . . 46 TYR CD2 . 10148 1 490 . 1 1 46 46 TYR HD2 H 1 6.976 0.030 . 1 . . . . 46 TYR HD2 . 10148 1 491 . 1 1 46 46 TYR CE1 C 13 118.504 0.300 . 1 . . . . 46 TYR CE1 . 10148 1 492 . 1 1 46 46 TYR HE1 H 1 6.774 0.030 . 1 . . . . 46 TYR HE1 . 10148 1 493 . 1 1 46 46 TYR CE2 C 13 118.504 0.300 . 1 . . . . 46 TYR CE2 . 10148 1 494 . 1 1 46 46 TYR HE2 H 1 6.774 0.030 . 1 . . . . 46 TYR HE2 . 10148 1 495 . 1 1 46 46 TYR C C 13 175.414 0.300 . 1 . . . . 46 TYR C . 10148 1 496 . 1 1 47 47 THR N N 15 117.631 0.300 . 1 . . . . 47 THR N . 10148 1 497 . 1 1 47 47 THR H H 1 8.607 0.030 . 1 . . . . 47 THR H . 10148 1 498 . 1 1 47 47 THR CA C 13 60.593 0.300 . 1 . . . . 47 THR CA . 10148 1 499 . 1 1 47 47 THR HA H 1 5.130 0.030 . 1 . . . . 47 THR HA . 10148 1 500 . 1 1 47 47 THR CB C 13 71.076 0.300 . 1 . . . . 47 THR CB . 10148 1 501 . 1 1 47 47 THR HB H 1 3.864 0.030 . 1 . . . . 47 THR HB . 10148 1 502 . 1 1 47 47 THR CG2 C 13 21.699 0.300 . 1 . . . . 47 THR CG2 . 10148 1 503 . 1 1 47 47 THR HG21 H 1 1.031 0.030 . 1 . . . . 47 THR HG2 . 10148 1 504 . 1 1 47 47 THR HG22 H 1 1.031 0.030 . 1 . . . . 47 THR HG2 . 10148 1 505 . 1 1 47 47 THR HG23 H 1 1.031 0.030 . 1 . . . . 47 THR HG2 . 10148 1 506 . 1 1 47 47 THR C C 13 173.697 0.300 . 1 . . . . 47 THR C . 10148 1 507 . 1 1 48 48 CYS N N 15 127.009 0.300 . 1 . . . . 48 CYS N . 10148 1 508 . 1 1 48 48 CYS H H 1 9.072 0.030 . 1 . . . . 48 CYS H . 10148 1 509 . 1 1 48 48 CYS CA C 13 60.153 0.300 . 1 . . . . 48 CYS CA . 10148 1 510 . 1 1 48 48 CYS HA H 1 4.422 0.030 . 1 . . . . 48 CYS HA . 10148 1 511 . 1 1 48 48 CYS CB C 13 29.832 0.300 . 1 . . . . 48 CYS CB . 10148 1 512 . 1 1 48 48 CYS HB2 H 1 3.319 0.030 . 2 . . . . 48 CYS HB2 . 10148 1 513 . 1 1 48 48 CYS HB3 H 1 2.824 0.030 . 2 . . . . 48 CYS HB3 . 10148 1 514 . 1 1 48 48 CYS C C 13 176.023 0.300 . 1 . . . . 48 CYS C . 10148 1 515 . 1 1 49 49 ASP N N 15 129.691 0.300 . 1 . . . . 49 ASP N . 10148 1 516 . 1 1 49 49 ASP H H 1 9.129 0.030 . 1 . . . . 49 ASP H . 10148 1 517 . 1 1 49 49 ASP CA C 13 55.499 0.300 . 1 . . . . 49 ASP CA . 10148 1 518 . 1 1 49 49 ASP HA H 1 4.353 0.030 . 1 . . . . 49 ASP HA . 10148 1 519 . 1 1 49 49 ASP CB C 13 39.656 0.300 . 1 . . . . 49 ASP CB . 10148 1 520 . 1 1 49 49 ASP HB2 H 1 2.790 0.030 . 1 . . . . 49 ASP HB2 . 10148 1 521 . 1 1 49 49 ASP HB3 H 1 2.790 0.030 . 1 . . . . 49 ASP HB3 . 10148 1 522 . 1 1 49 49 ASP C C 13 175.094 0.300 . 1 . . . . 49 ASP C . 10148 1 523 . 1 1 50 50 ILE N N 15 121.649 0.300 . 1 . . . . 50 ILE N . 10148 1 524 . 1 1 50 50 ILE H H 1 8.661 0.030 . 1 . . . . 50 ILE H . 10148 1 525 . 1 1 50 50 ILE CA C 13 62.888 0.300 . 1 . . . . 50 ILE CA . 10148 1 526 . 1 1 50 50 ILE HA H 1 3.837 0.030 . 1 . . . . 50 ILE HA . 10148 1 527 . 1 1 50 50 ILE CB C 13 38.652 0.300 . 1 . . . . 50 ILE CB . 10148 1 528 . 1 1 50 50 ILE HB H 1 1.023 0.030 . 1 . . . . 50 ILE HB . 10148 1 529 . 1 1 50 50 ILE CG1 C 13 27.770 0.300 . 1 . . . . 50 ILE CG1 . 10148 1 530 . 1 1 50 50 ILE HG12 H 1 1.367 0.030 . 2 . . . . 50 ILE HG12 . 10148 1 531 . 1 1 50 50 ILE HG13 H 1 0.956 0.030 . 2 . . . . 50 ILE HG13 . 10148 1 532 . 1 1 50 50 ILE CG2 C 13 16.106 0.300 . 1 . . . . 50 ILE CG2 . 10148 1 533 . 1 1 50 50 ILE HG21 H 1 0.206 0.030 . 1 . . . . 50 ILE HG2 . 10148 1 534 . 1 1 50 50 ILE HG22 H 1 0.206 0.030 . 1 . . . . 50 ILE HG2 . 10148 1 535 . 1 1 50 50 ILE HG23 H 1 0.206 0.030 . 1 . . . . 50 ILE HG2 . 10148 1 536 . 1 1 50 50 ILE CD1 C 13 12.254 0.300 . 1 . . . . 50 ILE CD1 . 10148 1 537 . 1 1 50 50 ILE HD11 H 1 0.602 0.030 . 1 . . . . 50 ILE HD1 . 10148 1 538 . 1 1 50 50 ILE HD12 H 1 0.602 0.030 . 1 . . . . 50 ILE HD1 . 10148 1 539 . 1 1 50 50 ILE HD13 H 1 0.602 0.030 . 1 . . . . 50 ILE HD1 . 10148 1 540 . 1 1 50 50 ILE C C 13 176.439 0.300 . 1 . . . . 50 ILE C . 10148 1 541 . 1 1 51 51 CYS N N 15 116.341 0.300 . 1 . . . . 51 CYS N . 10148 1 542 . 1 1 51 51 CYS H H 1 7.973 0.030 . 1 . . . . 51 CYS H . 10148 1 543 . 1 1 51 51 CYS CA C 13 58.192 0.300 . 1 . . . . 51 CYS CA . 10148 1 544 . 1 1 51 51 CYS HA H 1 4.922 0.030 . 1 . . . . 51 CYS HA . 10148 1 545 . 1 1 51 51 CYS CB C 13 32.086 0.300 . 1 . . . . 51 CYS CB . 10148 1 546 . 1 1 51 51 CYS HB2 H 1 3.410 0.030 . 2 . . . . 51 CYS HB2 . 10148 1 547 . 1 1 51 51 CYS HB3 H 1 2.722 0.030 . 2 . . . . 51 CYS HB3 . 10148 1 548 . 1 1 51 51 CYS C C 13 175.814 0.300 . 1 . . . . 51 CYS C . 10148 1 549 . 1 1 52 52 HIS N N 15 116.961 0.300 . 1 . . . . 52 HIS N . 10148 1 550 . 1 1 52 52 HIS H H 1 7.714 0.030 . 1 . . . . 52 HIS H . 10148 1 551 . 1 1 52 52 HIS CA C 13 58.187 0.300 . 1 . . . . 52 HIS CA . 10148 1 552 . 1 1 52 52 HIS HA H 1 4.521 0.030 . 1 . . . . 52 HIS HA . 10148 1 553 . 1 1 52 52 HIS CB C 13 27.079 0.300 . 1 . . . . 52 HIS CB . 10148 1 554 . 1 1 52 52 HIS HB2 H 1 3.467 0.030 . 2 . . . . 52 HIS HB2 . 10148 1 555 . 1 1 52 52 HIS HB3 H 1 3.296 0.030 . 2 . . . . 52 HIS HB3 . 10148 1 556 . 1 1 52 52 HIS CD2 C 13 119.293 0.300 . 1 . . . . 52 HIS CD2 . 10148 1 557 . 1 1 52 52 HIS HD2 H 1 6.915 0.030 . 1 . . . . 52 HIS HD2 . 10148 1 558 . 1 1 52 52 HIS CE1 C 13 137.626 0.300 . 1 . . . . 52 HIS CE1 . 10148 1 559 . 1 1 52 52 HIS HE1 H 1 7.943 0.030 . 1 . . . . 52 HIS HE1 . 10148 1 560 . 1 1 52 52 HIS C C 13 174.215 0.300 . 1 . . . . 52 HIS C . 10148 1 561 . 1 1 53 53 LYS N N 15 122.651 0.300 . 1 . . . . 53 LYS N . 10148 1 562 . 1 1 53 53 LYS H H 1 7.902 0.030 . 1 . . . . 53 LYS H . 10148 1 563 . 1 1 53 53 LYS CA C 13 58.205 0.300 . 1 . . . . 53 LYS CA . 10148 1 564 . 1 1 53 53 LYS HA H 1 4.051 0.030 . 1 . . . . 53 LYS HA . 10148 1 565 . 1 1 53 53 LYS CB C 13 33.868 0.300 . 1 . . . . 53 LYS CB . 10148 1 566 . 1 1 53 53 LYS HB2 H 1 1.483 0.030 . 2 . . . . 53 LYS HB2 . 10148 1 567 . 1 1 53 53 LYS HB3 H 1 1.218 0.030 . 2 . . . . 53 LYS HB3 . 10148 1 568 . 1 1 53 53 LYS CG C 13 26.279 0.300 . 1 . . . . 53 LYS CG . 10148 1 569 . 1 1 53 53 LYS HG2 H 1 1.043 0.030 . 2 . . . . 53 LYS HG2 . 10148 1 570 . 1 1 53 53 LYS HG3 H 1 1.427 0.030 . 2 . . . . 53 LYS HG3 . 10148 1 571 . 1 1 53 53 LYS CD C 13 29.346 0.300 . 1 . . . . 53 LYS CD . 10148 1 572 . 1 1 53 53 LYS HD2 H 1 1.434 0.030 . 2 . . . . 53 LYS HD2 . 10148 1 573 . 1 1 53 53 LYS HD3 H 1 1.532 0.030 . 2 . . . . 53 LYS HD3 . 10148 1 574 . 1 1 53 53 LYS CE C 13 42.122 0.300 . 1 . . . . 53 LYS CE . 10148 1 575 . 1 1 53 53 LYS HE2 H 1 2.939 0.030 . 1 . . . . 53 LYS HE2 . 10148 1 576 . 1 1 53 53 LYS HE3 H 1 2.939 0.030 . 1 . . . . 53 LYS HE3 . 10148 1 577 . 1 1 53 53 LYS C C 13 173.816 0.300 . 1 . . . . 53 LYS C . 10148 1 578 . 1 1 54 54 ALA N N 15 124.589 0.300 . 1 . . . . 54 ALA N . 10148 1 579 . 1 1 54 54 ALA H H 1 7.885 0.030 . 1 . . . . 54 ALA H . 10148 1 580 . 1 1 54 54 ALA CA C 13 50.573 0.300 . 1 . . . . 54 ALA CA . 10148 1 581 . 1 1 54 54 ALA HA H 1 5.098 0.030 . 1 . . . . 54 ALA HA . 10148 1 582 . 1 1 54 54 ALA CB C 13 22.290 0.300 . 1 . . . . 54 ALA CB . 10148 1 583 . 1 1 54 54 ALA HB1 H 1 1.230 0.030 . 1 . . . . 54 ALA HB . 10148 1 584 . 1 1 54 54 ALA HB2 H 1 1.230 0.030 . 1 . . . . 54 ALA HB . 10148 1 585 . 1 1 54 54 ALA HB3 H 1 1.230 0.030 . 1 . . . . 54 ALA HB . 10148 1 586 . 1 1 54 54 ALA C C 13 176.763 0.300 . 1 . . . . 54 ALA C . 10148 1 587 . 1 1 55 55 PHE N N 15 117.946 0.300 . 1 . . . . 55 PHE N . 10148 1 588 . 1 1 55 55 PHE H H 1 9.044 0.030 . 1 . . . . 55 PHE H . 10148 1 589 . 1 1 55 55 PHE CA C 13 57.320 0.300 . 1 . . . . 55 PHE CA . 10148 1 590 . 1 1 55 55 PHE HA H 1 4.724 0.030 . 1 . . . . 55 PHE HA . 10148 1 591 . 1 1 55 55 PHE CB C 13 43.710 0.300 . 1 . . . . 55 PHE CB . 10148 1 592 . 1 1 55 55 PHE HB2 H 1 3.474 0.030 . 2 . . . . 55 PHE HB2 . 10148 1 593 . 1 1 55 55 PHE HB3 H 1 2.782 0.030 . 2 . . . . 55 PHE HB3 . 10148 1 594 . 1 1 55 55 PHE CD1 C 13 132.342 0.300 . 1 . . . . 55 PHE CD1 . 10148 1 595 . 1 1 55 55 PHE HD1 H 1 7.280 0.030 . 1 . . . . 55 PHE HD1 . 10148 1 596 . 1 1 55 55 PHE CD2 C 13 132.342 0.300 . 1 . . . . 55 PHE CD2 . 10148 1 597 . 1 1 55 55 PHE HD2 H 1 7.280 0.030 . 1 . . . . 55 PHE HD2 . 10148 1 598 . 1 1 55 55 PHE CE1 C 13 130.666 0.300 . 1 . . . . 55 PHE CE1 . 10148 1 599 . 1 1 55 55 PHE HE1 H 1 6.796 0.030 . 1 . . . . 55 PHE HE1 . 10148 1 600 . 1 1 55 55 PHE CE2 C 13 130.666 0.300 . 1 . . . . 55 PHE CE2 . 10148 1 601 . 1 1 55 55 PHE HE2 H 1 6.796 0.030 . 1 . . . . 55 PHE HE2 . 10148 1 602 . 1 1 55 55 PHE CZ C 13 128.659 0.300 . 1 . . . . 55 PHE CZ . 10148 1 603 . 1 1 55 55 PHE HZ H 1 6.133 0.030 . 1 . . . . 55 PHE HZ . 10148 1 604 . 1 1 55 55 PHE C C 13 175.251 0.300 . 1 . . . . 55 PHE C . 10148 1 605 . 1 1 56 56 ARG N N 15 119.843 0.300 . 1 . . . . 56 ARG N . 10148 1 606 . 1 1 56 56 ARG H H 1 9.587 0.030 . 1 . . . . 56 ARG H . 10148 1 607 . 1 1 56 56 ARG CA C 13 58.117 0.300 . 1 . . . . 56 ARG CA . 10148 1 608 . 1 1 56 56 ARG HA H 1 4.603 0.030 . 1 . . . . 56 ARG HA . 10148 1 609 . 1 1 56 56 ARG CB C 13 31.741 0.300 . 1 . . . . 56 ARG CB . 10148 1 610 . 1 1 56 56 ARG HB2 H 1 1.977 0.030 . 2 . . . . 56 ARG HB2 . 10148 1 611 . 1 1 56 56 ARG HB3 H 1 2.104 0.030 . 2 . . . . 56 ARG HB3 . 10148 1 612 . 1 1 56 56 ARG CG C 13 28.206 0.300 . 1 . . . . 56 ARG CG . 10148 1 613 . 1 1 56 56 ARG HG2 H 1 1.841 0.030 . 1 . . . . 56 ARG HG2 . 10148 1 614 . 1 1 56 56 ARG HG3 H 1 1.841 0.030 . 1 . . . . 56 ARG HG3 . 10148 1 615 . 1 1 56 56 ARG CD C 13 43.500 0.300 . 1 . . . . 56 ARG CD . 10148 1 616 . 1 1 56 56 ARG HD2 H 1 3.310 0.030 . 1 . . . . 56 ARG HD2 . 10148 1 617 . 1 1 56 56 ARG HD3 H 1 3.310 0.030 . 1 . . . . 56 ARG HD3 . 10148 1 618 . 1 1 56 56 ARG C C 13 176.201 0.300 . 1 . . . . 56 ARG C . 10148 1 619 . 1 1 57 57 ARG N N 15 113.134 0.300 . 1 . . . . 57 ARG N . 10148 1 620 . 1 1 57 57 ARG H H 1 7.273 0.030 . 1 . . . . 57 ARG H . 10148 1 621 . 1 1 57 57 ARG CA C 13 53.978 0.300 . 1 . . . . 57 ARG CA . 10148 1 622 . 1 1 57 57 ARG HA H 1 4.650 0.030 . 1 . . . . 57 ARG HA . 10148 1 623 . 1 1 57 57 ARG CB C 13 34.701 0.300 . 1 . . . . 57 ARG CB . 10148 1 624 . 1 1 57 57 ARG HB2 H 1 1.903 0.030 . 2 . . . . 57 ARG HB2 . 10148 1 625 . 1 1 57 57 ARG HB3 H 1 0.788 0.030 . 2 . . . . 57 ARG HB3 . 10148 1 626 . 1 1 57 57 ARG CG C 13 27.023 0.300 . 1 . . . . 57 ARG CG . 10148 1 627 . 1 1 57 57 ARG HG2 H 1 1.338 0.030 . 2 . . . . 57 ARG HG2 . 10148 1 628 . 1 1 57 57 ARG HG3 H 1 1.499 0.030 . 2 . . . . 57 ARG HG3 . 10148 1 629 . 1 1 57 57 ARG CD C 13 43.412 0.300 . 1 . . . . 57 ARG CD . 10148 1 630 . 1 1 57 57 ARG HD2 H 1 2.751 0.030 . 2 . . . . 57 ARG HD2 . 10148 1 631 . 1 1 57 57 ARG HD3 H 1 3.156 0.030 . 2 . . . . 57 ARG HD3 . 10148 1 632 . 1 1 57 57 ARG C C 13 176.296 0.300 . 1 . . . . 57 ARG C . 10148 1 633 . 1 1 58 58 GLN N N 15 124.070 0.300 . 1 . . . . 58 GLN N . 10148 1 634 . 1 1 58 58 GLN H H 1 8.583 0.030 . 1 . . . . 58 GLN H . 10148 1 635 . 1 1 58 58 GLN CA C 13 59.036 0.300 . 1 . . . . 58 GLN CA . 10148 1 636 . 1 1 58 58 GLN HA H 1 3.004 0.030 . 1 . . . . 58 GLN HA . 10148 1 637 . 1 1 58 58 GLN CB C 13 28.229 0.300 . 1 . . . . 58 GLN CB . 10148 1 638 . 1 1 58 58 GLN HB2 H 1 1.674 0.030 . 2 . . . . 58 GLN HB2 . 10148 1 639 . 1 1 58 58 GLN HB3 H 1 1.420 0.030 . 2 . . . . 58 GLN HB3 . 10148 1 640 . 1 1 58 58 GLN CG C 13 33.797 0.300 . 1 . . . . 58 GLN CG . 10148 1 641 . 1 1 58 58 GLN HG2 H 1 1.900 0.030 . 1 . . . . 58 GLN HG2 . 10148 1 642 . 1 1 58 58 GLN HG3 H 1 1.900 0.030 . 1 . . . . 58 GLN HG3 . 10148 1 643 . 1 1 58 58 GLN NE2 N 15 111.526 0.300 . 1 . . . . 58 GLN NE2 . 10148 1 644 . 1 1 58 58 GLN HE21 H 1 7.314 0.030 . 2 . . . . 58 GLN HE21 . 10148 1 645 . 1 1 58 58 GLN HE22 H 1 6.847 0.030 . 2 . . . . 58 GLN HE22 . 10148 1 646 . 1 1 58 58 GLN C C 13 177.925 0.300 . 1 . . . . 58 GLN C . 10148 1 647 . 1 1 59 59 ASP CA C 13 56.406 0.300 . 1 . . . . 59 ASP CA . 10148 1 648 . 1 1 59 59 ASP HA H 1 4.046 0.030 . 1 . . . . 59 ASP HA . 10148 1 649 . 1 1 59 59 ASP CB C 13 38.248 0.300 . 1 . . . . 59 ASP CB . 10148 1 650 . 1 1 59 59 ASP HB2 H 1 2.663 0.030 . 2 . . . . 59 ASP HB2 . 10148 1 651 . 1 1 59 59 ASP HB3 H 1 2.535 0.030 . 2 . . . . 59 ASP HB3 . 10148 1 652 . 1 1 59 59 ASP C C 13 177.698 0.300 . 1 . . . . 59 ASP C . 10148 1 653 . 1 1 60 60 HIS N N 15 119.173 0.300 . 1 . . . . 60 HIS N . 10148 1 654 . 1 1 60 60 HIS H H 1 6.954 0.030 . 1 . . . . 60 HIS H . 10148 1 655 . 1 1 60 60 HIS CA C 13 56.843 0.300 . 1 . . . . 60 HIS CA . 10148 1 656 . 1 1 60 60 HIS HA H 1 4.432 0.030 . 1 . . . . 60 HIS HA . 10148 1 657 . 1 1 60 60 HIS CB C 13 31.752 0.300 . 1 . . . . 60 HIS CB . 10148 1 658 . 1 1 60 60 HIS HB2 H 1 3.176 0.030 . 2 . . . . 60 HIS HB2 . 10148 1 659 . 1 1 60 60 HIS HB3 H 1 3.317 0.030 . 2 . . . . 60 HIS HB3 . 10148 1 660 . 1 1 60 60 HIS CD2 C 13 116.927 0.300 . 1 . . . . 60 HIS CD2 . 10148 1 661 . 1 1 60 60 HIS HD2 H 1 6.946 0.030 . 1 . . . . 60 HIS HD2 . 10148 1 662 . 1 1 60 60 HIS CE1 C 13 138.806 0.300 . 1 . . . . 60 HIS CE1 . 10148 1 663 . 1 1 60 60 HIS HE1 H 1 7.810 0.030 . 1 . . . . 60 HIS HE1 . 10148 1 664 . 1 1 60 60 HIS C C 13 178.617 0.300 . 1 . . . . 60 HIS C . 10148 1 665 . 1 1 61 61 LEU N N 15 120.844 0.300 . 1 . . . . 61 LEU N . 10148 1 666 . 1 1 61 61 LEU H H 1 6.979 0.030 . 1 . . . . 61 LEU H . 10148 1 667 . 1 1 61 61 LEU CA C 13 57.728 0.300 . 1 . . . . 61 LEU CA . 10148 1 668 . 1 1 61 61 LEU HA H 1 3.145 0.030 . 1 . . . . 61 LEU HA . 10148 1 669 . 1 1 61 61 LEU CB C 13 40.153 0.300 . 1 . . . . 61 LEU CB . 10148 1 670 . 1 1 61 61 LEU HB2 H 1 1.847 0.030 . 2 . . . . 61 LEU HB2 . 10148 1 671 . 1 1 61 61 LEU HB3 H 1 1.203 0.030 . 2 . . . . 61 LEU HB3 . 10148 1 672 . 1 1 61 61 LEU CG C 13 27.171 0.300 . 1 . . . . 61 LEU CG . 10148 1 673 . 1 1 61 61 LEU HG H 1 1.505 0.030 . 1 . . . . 61 LEU HG . 10148 1 674 . 1 1 61 61 LEU CD1 C 13 22.545 0.300 . 2 . . . . 61 LEU CD1 . 10148 1 675 . 1 1 61 61 LEU HD11 H 1 0.957 0.030 . 1 . . . . 61 LEU HD1 . 10148 1 676 . 1 1 61 61 LEU HD12 H 1 0.957 0.030 . 1 . . . . 61 LEU HD1 . 10148 1 677 . 1 1 61 61 LEU HD13 H 1 0.957 0.030 . 1 . . . . 61 LEU HD1 . 10148 1 678 . 1 1 61 61 LEU CD2 C 13 26.718 0.300 . 2 . . . . 61 LEU CD2 . 10148 1 679 . 1 1 61 61 LEU HD21 H 1 1.003 0.030 . 1 . . . . 61 LEU HD2 . 10148 1 680 . 1 1 61 61 LEU HD22 H 1 1.003 0.030 . 1 . . . . 61 LEU HD2 . 10148 1 681 . 1 1 61 61 LEU HD23 H 1 1.003 0.030 . 1 . . . . 61 LEU HD2 . 10148 1 682 . 1 1 61 61 LEU C C 13 176.855 0.300 . 1 . . . . 61 LEU C . 10148 1 683 . 1 1 62 62 ARG N N 15 120.225 0.300 . 1 . . . . 62 ARG N . 10148 1 684 . 1 1 62 62 ARG H H 1 8.012 0.030 . 1 . . . . 62 ARG H . 10148 1 685 . 1 1 62 62 ARG CA C 13 59.526 0.300 . 1 . . . . 62 ARG CA . 10148 1 686 . 1 1 62 62 ARG HA H 1 3.724 0.030 . 1 . . . . 62 ARG HA . 10148 1 687 . 1 1 62 62 ARG CB C 13 29.388 0.300 . 1 . . . . 62 ARG CB . 10148 1 688 . 1 1 62 62 ARG HB2 H 1 1.807 0.030 . 2 . . . . 62 ARG HB2 . 10148 1 689 . 1 1 62 62 ARG HB3 H 1 1.933 0.030 . 2 . . . . 62 ARG HB3 . 10148 1 690 . 1 1 62 62 ARG CG C 13 26.543 0.300 . 1 . . . . 62 ARG CG . 10148 1 691 . 1 1 62 62 ARG HG2 H 1 1.340 0.030 . 2 . . . . 62 ARG HG2 . 10148 1 692 . 1 1 62 62 ARG HG3 H 1 1.703 0.030 . 2 . . . . 62 ARG HG3 . 10148 1 693 . 1 1 62 62 ARG CD C 13 43.306 0.300 . 1 . . . . 62 ARG CD . 10148 1 694 . 1 1 62 62 ARG HD2 H 1 3.162 0.030 . 1 . . . . 62 ARG HD2 . 10148 1 695 . 1 1 62 62 ARG HD3 H 1 3.162 0.030 . 1 . . . . 62 ARG HD3 . 10148 1 696 . 1 1 62 62 ARG C C 13 178.582 0.300 . 1 . . . . 62 ARG C . 10148 1 697 . 1 1 63 63 ASP N N 15 117.219 0.300 . 1 . . . . 63 ASP N . 10148 1 698 . 1 1 63 63 ASP H H 1 7.823 0.030 . 1 . . . . 63 ASP H . 10148 1 699 . 1 1 63 63 ASP CA C 13 56.694 0.300 . 1 . . . . 63 ASP CA . 10148 1 700 . 1 1 63 63 ASP HA H 1 4.401 0.030 . 1 . . . . 63 ASP HA . 10148 1 701 . 1 1 63 63 ASP CB C 13 40.226 0.300 . 1 . . . . 63 ASP CB . 10148 1 702 . 1 1 63 63 ASP HB2 H 1 2.582 0.030 . 2 . . . . 63 ASP HB2 . 10148 1 703 . 1 1 63 63 ASP HB3 H 1 2.640 0.030 . 2 . . . . 63 ASP HB3 . 10148 1 704 . 1 1 63 63 ASP C C 13 178.560 0.300 . 1 . . . . 63 ASP C . 10148 1 705 . 1 1 64 64 HIS N N 15 119.185 0.300 . 1 . . . . 64 HIS N . 10148 1 706 . 1 1 64 64 HIS H H 1 7.606 0.030 . 1 . . . . 64 HIS H . 10148 1 707 . 1 1 64 64 HIS CA C 13 58.772 0.300 . 1 . . . . 64 HIS CA . 10148 1 708 . 1 1 64 64 HIS HA H 1 4.211 0.030 . 1 . . . . 64 HIS HA . 10148 1 709 . 1 1 64 64 HIS CB C 13 28.533 0.300 . 1 . . . . 64 HIS CB . 10148 1 710 . 1 1 64 64 HIS HB2 H 1 3.111 0.030 . 2 . . . . 64 HIS HB2 . 10148 1 711 . 1 1 64 64 HIS HB3 H 1 2.849 0.030 . 2 . . . . 64 HIS HB3 . 10148 1 712 . 1 1 64 64 HIS CD2 C 13 127.017 0.300 . 1 . . . . 64 HIS CD2 . 10148 1 713 . 1 1 64 64 HIS HD2 H 1 6.831 0.030 . 1 . . . . 64 HIS HD2 . 10148 1 714 . 1 1 64 64 HIS CE1 C 13 139.548 0.300 . 1 . . . . 64 HIS CE1 . 10148 1 715 . 1 1 64 64 HIS HE1 H 1 7.997 0.030 . 1 . . . . 64 HIS HE1 . 10148 1 716 . 1 1 64 64 HIS C C 13 176.334 0.300 . 1 . . . . 64 HIS C . 10148 1 717 . 1 1 65 65 ARG N N 15 116.490 0.300 . 1 . . . . 65 ARG N . 10148 1 718 . 1 1 65 65 ARG H H 1 8.157 0.030 . 1 . . . . 65 ARG H . 10148 1 719 . 1 1 65 65 ARG CA C 13 59.666 0.300 . 1 . . . . 65 ARG CA . 10148 1 720 . 1 1 65 65 ARG HA H 1 3.576 0.030 . 1 . . . . 65 ARG HA . 10148 1 721 . 1 1 65 65 ARG CB C 13 29.958 0.300 . 1 . . . . 65 ARG CB . 10148 1 722 . 1 1 65 65 ARG HB2 H 1 1.853 0.030 . 1 . . . . 65 ARG HB2 . 10148 1 723 . 1 1 65 65 ARG HB3 H 1 1.853 0.030 . 1 . . . . 65 ARG HB3 . 10148 1 724 . 1 1 65 65 ARG CG C 13 29.007 0.300 . 1 . . . . 65 ARG CG . 10148 1 725 . 1 1 65 65 ARG HG2 H 1 1.985 0.030 . 1 . . . . 65 ARG HG2 . 10148 1 726 . 1 1 65 65 ARG HG3 H 1 1.985 0.030 . 1 . . . . 65 ARG HG3 . 10148 1 727 . 1 1 65 65 ARG CD C 13 43.524 0.300 . 1 . . . . 65 ARG CD . 10148 1 728 . 1 1 65 65 ARG HD2 H 1 3.233 0.030 . 2 . . . . 65 ARG HD2 . 10148 1 729 . 1 1 65 65 ARG HD3 H 1 3.273 0.030 . 2 . . . . 65 ARG HD3 . 10148 1 730 . 1 1 65 65 ARG C C 13 178.301 0.300 . 1 . . . . 65 ARG C . 10148 1 731 . 1 1 66 66 TYR N N 15 117.286 0.300 . 1 . . . . 66 TYR N . 10148 1 732 . 1 1 66 66 TYR H H 1 7.169 0.030 . 1 . . . . 66 TYR H . 10148 1 733 . 1 1 66 66 TYR CA C 13 60.186 0.300 . 1 . . . . 66 TYR CA . 10148 1 734 . 1 1 66 66 TYR HA H 1 4.339 0.030 . 1 . . . . 66 TYR HA . 10148 1 735 . 1 1 66 66 TYR CB C 13 37.960 0.300 . 1 . . . . 66 TYR CB . 10148 1 736 . 1 1 66 66 TYR HB2 H 1 2.948 0.030 . 2 . . . . 66 TYR HB2 . 10148 1 737 . 1 1 66 66 TYR HB3 H 1 3.108 0.030 . 2 . . . . 66 TYR HB3 . 10148 1 738 . 1 1 66 66 TYR CD1 C 13 133.078 0.300 . 1 . . . . 66 TYR CD1 . 10148 1 739 . 1 1 66 66 TYR HD1 H 1 7.230 0.030 . 1 . . . . 66 TYR HD1 . 10148 1 740 . 1 1 66 66 TYR CD2 C 13 133.078 0.300 . 1 . . . . 66 TYR CD2 . 10148 1 741 . 1 1 66 66 TYR HD2 H 1 7.230 0.030 . 1 . . . . 66 TYR HD2 . 10148 1 742 . 1 1 66 66 TYR CE1 C 13 118.325 0.300 . 1 . . . . 66 TYR CE1 . 10148 1 743 . 1 1 66 66 TYR HE1 H 1 6.785 0.030 . 1 . . . . 66 TYR HE1 . 10148 1 744 . 1 1 66 66 TYR CE2 C 13 118.325 0.300 . 1 . . . . 66 TYR CE2 . 10148 1 745 . 1 1 66 66 TYR HE2 H 1 6.785 0.030 . 1 . . . . 66 TYR HE2 . 10148 1 746 . 1 1 66 66 TYR C C 13 178.191 0.300 . 1 . . . . 66 TYR C . 10148 1 747 . 1 1 67 67 ILE N N 15 117.609 0.300 . 1 . . . . 67 ILE N . 10148 1 748 . 1 1 67 67 ILE H H 1 7.883 0.030 . 1 . . . . 67 ILE H . 10148 1 749 . 1 1 67 67 ILE CA C 13 63.440 0.300 . 1 . . . . 67 ILE CA . 10148 1 750 . 1 1 67 67 ILE HA H 1 3.836 0.030 . 1 . . . . 67 ILE HA . 10148 1 751 . 1 1 67 67 ILE CB C 13 37.482 0.300 . 1 . . . . 67 ILE CB . 10148 1 752 . 1 1 67 67 ILE HB H 1 1.671 0.030 . 1 . . . . 67 ILE HB . 10148 1 753 . 1 1 67 67 ILE CG1 C 13 27.105 0.300 . 1 . . . . 67 ILE CG1 . 10148 1 754 . 1 1 67 67 ILE HG12 H 1 0.850 0.030 . 2 . . . . 67 ILE HG12 . 10148 1 755 . 1 1 67 67 ILE HG13 H 1 0.969 0.030 . 2 . . . . 67 ILE HG13 . 10148 1 756 . 1 1 67 67 ILE CG2 C 13 16.521 0.300 . 1 . . . . 67 ILE CG2 . 10148 1 757 . 1 1 67 67 ILE HG21 H 1 0.500 0.030 . 1 . . . . 67 ILE HG2 . 10148 1 758 . 1 1 67 67 ILE HG22 H 1 0.500 0.030 . 1 . . . . 67 ILE HG2 . 10148 1 759 . 1 1 67 67 ILE HG23 H 1 0.500 0.030 . 1 . . . . 67 ILE HG2 . 10148 1 760 . 1 1 67 67 ILE CD1 C 13 14.179 0.300 . 1 . . . . 67 ILE CD1 . 10148 1 761 . 1 1 67 67 ILE HD11 H 1 0.707 0.030 . 1 . . . . 67 ILE HD1 . 10148 1 762 . 1 1 67 67 ILE HD12 H 1 0.707 0.030 . 1 . . . . 67 ILE HD1 . 10148 1 763 . 1 1 67 67 ILE HD13 H 1 0.707 0.030 . 1 . . . . 67 ILE HD1 . 10148 1 764 . 1 1 67 67 ILE C C 13 177.511 0.300 . 1 . . . . 67 ILE C . 10148 1 765 . 1 1 68 68 HIS N N 15 116.764 0.300 . 1 . . . . 68 HIS N . 10148 1 766 . 1 1 68 68 HIS H H 1 7.140 0.030 . 1 . . . . 68 HIS H . 10148 1 767 . 1 1 68 68 HIS CA C 13 55.340 0.300 . 1 . . . . 68 HIS CA . 10148 1 768 . 1 1 68 68 HIS HA H 1 4.768 0.030 . 1 . . . . 68 HIS HA . 10148 1 769 . 1 1 68 68 HIS CB C 13 28.687 0.300 . 1 . . . . 68 HIS CB . 10148 1 770 . 1 1 68 68 HIS HB2 H 1 3.323 0.030 . 2 . . . . 68 HIS HB2 . 10148 1 771 . 1 1 68 68 HIS HB3 H 1 3.092 0.030 . 2 . . . . 68 HIS HB3 . 10148 1 772 . 1 1 68 68 HIS CD2 C 13 127.989 0.300 . 1 . . . . 68 HIS CD2 . 10148 1 773 . 1 1 68 68 HIS HD2 H 1 6.632 0.030 . 1 . . . . 68 HIS HD2 . 10148 1 774 . 1 1 68 68 HIS CE1 C 13 140.458 0.300 . 1 . . . . 68 HIS CE1 . 10148 1 775 . 1 1 68 68 HIS HE1 H 1 8.073 0.030 . 1 . . . . 68 HIS HE1 . 10148 1 776 . 1 1 68 68 HIS C C 13 175.627 0.300 . 1 . . . . 68 HIS C . 10148 1 777 . 1 1 69 69 SER N N 15 114.870 0.300 . 1 . . . . 69 SER N . 10148 1 778 . 1 1 69 69 SER H H 1 7.731 0.030 . 1 . . . . 69 SER H . 10148 1 779 . 1 1 69 69 SER CA C 13 59.200 0.300 . 1 . . . . 69 SER CA . 10148 1 780 . 1 1 69 69 SER HA H 1 4.379 0.030 . 1 . . . . 69 SER HA . 10148 1 781 . 1 1 69 69 SER CB C 13 63.765 0.300 . 1 . . . . 69 SER CB . 10148 1 782 . 1 1 69 69 SER HB2 H 1 3.921 0.030 . 1 . . . . 69 SER HB2 . 10148 1 783 . 1 1 69 69 SER HB3 H 1 3.921 0.030 . 1 . . . . 69 SER HB3 . 10148 1 784 . 1 1 69 69 SER C C 13 174.692 0.300 . 1 . . . . 69 SER C . 10148 1 785 . 1 1 70 70 LYS N N 15 121.978 0.300 . 1 . . . . 70 LYS N . 10148 1 786 . 1 1 70 70 LYS H H 1 8.063 0.030 . 1 . . . . 70 LYS H . 10148 1 787 . 1 1 70 70 LYS CA C 13 56.825 0.300 . 1 . . . . 70 LYS CA . 10148 1 788 . 1 1 70 70 LYS HA H 1 4.214 0.030 . 1 . . . . 70 LYS HA . 10148 1 789 . 1 1 70 70 LYS CB C 13 32.539 0.300 . 1 . . . . 70 LYS CB . 10148 1 790 . 1 1 70 70 LYS HB2 H 1 1.825 0.030 . 2 . . . . 70 LYS HB2 . 10148 1 791 . 1 1 70 70 LYS HB3 H 1 1.729 0.030 . 2 . . . . 70 LYS HB3 . 10148 1 792 . 1 1 70 70 LYS CG C 13 24.705 0.300 . 1 . . . . 70 LYS CG . 10148 1 793 . 1 1 70 70 LYS HG2 H 1 1.388 0.030 . 1 . . . . 70 LYS HG2 . 10148 1 794 . 1 1 70 70 LYS HG3 H 1 1.388 0.030 . 1 . . . . 70 LYS HG3 . 10148 1 795 . 1 1 70 70 LYS CD C 13 28.851 0.300 . 1 . . . . 70 LYS CD . 10148 1 796 . 1 1 70 70 LYS HD2 H 1 1.644 0.030 . 1 . . . . 70 LYS HD2 . 10148 1 797 . 1 1 70 70 LYS HD3 H 1 1.644 0.030 . 1 . . . . 70 LYS HD3 . 10148 1 798 . 1 1 70 70 LYS CE C 13 42.287 0.300 . 1 . . . . 70 LYS CE . 10148 1 799 . 1 1 70 70 LYS HE2 H 1 2.950 0.030 . 1 . . . . 70 LYS HE2 . 10148 1 800 . 1 1 70 70 LYS HE3 H 1 2.950 0.030 . 1 . . . . 70 LYS HE3 . 10148 1 801 . 1 1 70 70 LYS C C 13 176.806 0.300 . 1 . . . . 70 LYS C . 10148 1 802 . 1 1 71 71 GLU N N 15 120.177 0.300 . 1 . . . . 71 GLU N . 10148 1 803 . 1 1 71 71 GLU H H 1 8.008 0.030 . 1 . . . . 71 GLU H . 10148 1 804 . 1 1 71 71 GLU CA C 13 56.472 0.300 . 1 . . . . 71 GLU CA . 10148 1 805 . 1 1 71 71 GLU HA H 1 4.191 0.030 . 1 . . . . 71 GLU HA . 10148 1 806 . 1 1 71 71 GLU CB C 13 29.335 0.300 . 1 . . . . 71 GLU CB . 10148 1 807 . 1 1 71 71 GLU HB2 H 1 1.930 0.030 . 2 . . . . 71 GLU HB2 . 10148 1 808 . 1 1 71 71 GLU CG C 13 36.399 0.300 . 1 . . . . 71 GLU CG . 10148 1 809 . 1 1 71 71 GLU HG2 H 1 2.194 0.030 . 2 . . . . 71 GLU HG2 . 10148 1 810 . 1 1 71 71 GLU HG3 H 1 2.242 0.030 . 2 . . . . 71 GLU HG3 . 10148 1 811 . 1 1 71 71 GLU C C 13 176.040 0.300 . 1 . . . . 71 GLU C . 10148 1 812 . 1 1 72 72 LYS N N 15 121.800 0.300 . 1 . . . . 72 LYS N . 10148 1 813 . 1 1 72 72 LYS H H 1 8.277 0.030 . 1 . . . . 72 LYS H . 10148 1 814 . 1 1 72 72 LYS CA C 13 53.820 0.300 . 1 . . . . 72 LYS CA . 10148 1 815 . 1 1 72 72 LYS HA H 1 4.391 0.030 . 1 . . . . 72 LYS HA . 10148 1 816 . 1 1 72 72 LYS CB C 13 32.139 0.300 . 1 . . . . 72 LYS CB . 10148 1 817 . 1 1 72 72 LYS HB2 H 1 1.536 0.030 . 2 . . . . 72 LYS HB2 . 10148 1 818 . 1 1 72 72 LYS HB3 H 1 1.451 0.030 . 2 . . . . 72 LYS HB3 . 10148 1 819 . 1 1 72 72 LYS CG C 13 25.126 0.300 . 1 . . . . 72 LYS CG . 10148 1 820 . 1 1 72 72 LYS HG2 H 1 1.224 0.030 . 2 . . . . 72 LYS HG2 . 10148 1 821 . 1 1 72 72 LYS HG3 H 1 1.254 0.030 . 2 . . . . 72 LYS HG3 . 10148 1 822 . 1 1 72 72 LYS CD C 13 29.353 0.300 . 1 . . . . 72 LYS CD . 10148 1 823 . 1 1 72 72 LYS HD2 H 1 1.341 0.030 . 2 . . . . 72 LYS HD2 . 10148 1 824 . 1 1 72 72 LYS HD3 H 1 1.462 0.030 . 2 . . . . 72 LYS HD3 . 10148 1 825 . 1 1 72 72 LYS CE C 13 42.195 0.300 . 1 . . . . 72 LYS CE . 10148 1 826 . 1 1 72 72 LYS HE2 H 1 2.895 0.030 . 1 . . . . 72 LYS HE2 . 10148 1 827 . 1 1 72 72 LYS HE3 H 1 2.895 0.030 . 1 . . . . 72 LYS HE3 . 10148 1 828 . 1 1 72 72 LYS C C 13 174.768 0.300 . 1 . . . . 72 LYS C . 10148 1 829 . 1 1 73 73 PRO CA C 13 63.978 0.300 . 1 . . . . 73 PRO CA . 10148 1 830 . 1 1 73 73 PRO HA H 1 4.144 0.030 . 1 . . . . 73 PRO HA . 10148 1 831 . 1 1 73 73 PRO CB C 13 31.953 0.300 . 1 . . . . 73 PRO CB . 10148 1 832 . 1 1 73 73 PRO HB2 H 1 1.941 0.030 . 2 . . . . 73 PRO HB2 . 10148 1 833 . 1 1 73 73 PRO HB3 H 1 1.188 0.030 . 2 . . . . 73 PRO HB3 . 10148 1 834 . 1 1 73 73 PRO CG C 13 26.708 0.300 . 1 . . . . 73 PRO CG . 10148 1 835 . 1 1 73 73 PRO HG2 H 1 1.705 0.030 . 2 . . . . 73 PRO HG2 . 10148 1 836 . 1 1 73 73 PRO HG3 H 1 1.792 0.030 . 2 . . . . 73 PRO HG3 . 10148 1 837 . 1 1 73 73 PRO CD C 13 50.566 0.300 . 1 . . . . 73 PRO CD . 10148 1 838 . 1 1 73 73 PRO HD2 H 1 3.676 0.030 . 2 . . . . 73 PRO HD2 . 10148 1 839 . 1 1 73 73 PRO HD3 H 1 3.565 0.030 . 2 . . . . 73 PRO HD3 . 10148 1 840 . 1 1 73 73 PRO C C 13 176.402 0.300 . 1 . . . . 73 PRO C . 10148 1 841 . 1 1 74 74 PHE N N 15 117.425 0.300 . 1 . . . . 74 PHE N . 10148 1 842 . 1 1 74 74 PHE H H 1 7.686 0.030 . 1 . . . . 74 PHE H . 10148 1 843 . 1 1 74 74 PHE CA C 13 57.020 0.300 . 1 . . . . 74 PHE CA . 10148 1 844 . 1 1 74 74 PHE HA H 1 4.691 0.030 . 1 . . . . 74 PHE HA . 10148 1 845 . 1 1 74 74 PHE CB C 13 39.403 0.300 . 1 . . . . 74 PHE CB . 10148 1 846 . 1 1 74 74 PHE HB2 H 1 2.967 0.030 . 2 . . . . 74 PHE HB2 . 10148 1 847 . 1 1 74 74 PHE HB3 H 1 2.775 0.030 . 2 . . . . 74 PHE HB3 . 10148 1 848 . 1 1 74 74 PHE CD1 C 13 131.552 0.300 . 1 . . . . 74 PHE CD1 . 10148 1 849 . 1 1 74 74 PHE HD1 H 1 7.044 0.030 . 1 . . . . 74 PHE HD1 . 10148 1 850 . 1 1 74 74 PHE CD2 C 13 131.552 0.300 . 1 . . . . 74 PHE CD2 . 10148 1 851 . 1 1 74 74 PHE HD2 H 1 7.044 0.030 . 1 . . . . 74 PHE HD2 . 10148 1 852 . 1 1 74 74 PHE CE1 C 13 130.123 0.300 . 1 . . . . 74 PHE CE1 . 10148 1 853 . 1 1 74 74 PHE HE1 H 1 7.326 0.030 . 1 . . . . 74 PHE HE1 . 10148 1 854 . 1 1 74 74 PHE CE2 C 13 130.123 0.300 . 1 . . . . 74 PHE CE2 . 10148 1 855 . 1 1 74 74 PHE HE2 H 1 7.326 0.030 . 1 . . . . 74 PHE HE2 . 10148 1 856 . 1 1 74 74 PHE C C 13 174.442 0.300 . 1 . . . . 74 PHE C . 10148 1 857 . 1 1 75 75 LYS N N 15 123.931 0.300 . 1 . . . . 75 LYS N . 10148 1 858 . 1 1 75 75 LYS H H 1 8.590 0.030 . 1 . . . . 75 LYS H . 10148 1 859 . 1 1 75 75 LYS CA C 13 54.951 0.300 . 1 . . . . 75 LYS CA . 10148 1 860 . 1 1 75 75 LYS HA H 1 5.021 0.030 . 1 . . . . 75 LYS HA . 10148 1 861 . 1 1 75 75 LYS CB C 13 35.286 0.300 . 1 . . . . 75 LYS CB . 10148 1 862 . 1 1 75 75 LYS HB2 H 1 1.541 0.030 . 2 . . . . 75 LYS HB2 . 10148 1 863 . 1 1 75 75 LYS HB3 H 1 1.614 0.030 . 2 . . . . 75 LYS HB3 . 10148 1 864 . 1 1 75 75 LYS CG C 13 24.648 0.300 . 1 . . . . 75 LYS CG . 10148 1 865 . 1 1 75 75 LYS HG2 H 1 1.116 0.030 . 2 . . . . 75 LYS HG2 . 10148 1 866 . 1 1 75 75 LYS HG3 H 1 1.180 0.030 . 2 . . . . 75 LYS HG3 . 10148 1 867 . 1 1 75 75 LYS CD C 13 29.126 0.300 . 1 . . . . 75 LYS CD . 10148 1 868 . 1 1 75 75 LYS HD2 H 1 1.533 0.030 . 1 . . . . 75 LYS HD2 . 10148 1 869 . 1 1 75 75 LYS HD3 H 1 1.533 0.030 . 1 . . . . 75 LYS HD3 . 10148 1 870 . 1 1 75 75 LYS CE C 13 42.205 0.300 . 1 . . . . 75 LYS CE . 10148 1 871 . 1 1 75 75 LYS HE2 H 1 2.890 0.030 . 1 . . . . 75 LYS HE2 . 10148 1 872 . 1 1 75 75 LYS HE3 H 1 2.890 0.030 . 1 . . . . 75 LYS HE3 . 10148 1 873 . 1 1 75 75 LYS C C 13 175.465 0.300 . 1 . . . . 75 LYS C . 10148 1 874 . 1 1 76 76 CYS N N 15 126.279 0.300 . 1 . . . . 76 CYS N . 10148 1 875 . 1 1 76 76 CYS H H 1 9.149 0.030 . 1 . . . . 76 CYS H . 10148 1 876 . 1 1 76 76 CYS CA C 13 59.553 0.300 . 1 . . . . 76 CYS CA . 10148 1 877 . 1 1 76 76 CYS HA H 1 4.462 0.030 . 1 . . . . 76 CYS HA . 10148 1 878 . 1 1 76 76 CYS CB C 13 29.772 0.300 . 1 . . . . 76 CYS CB . 10148 1 879 . 1 1 76 76 CYS HB2 H 1 2.824 0.030 . 2 . . . . 76 CYS HB2 . 10148 1 880 . 1 1 76 76 CYS HB3 H 1 3.376 0.030 . 2 . . . . 76 CYS HB3 . 10148 1 881 . 1 1 76 76 CYS C C 13 177.367 0.300 . 1 . . . . 76 CYS C . 10148 1 882 . 1 1 77 77 GLN CA C 13 58.117 0.300 . 1 . . . . 77 GLN CA . 10148 1 883 . 1 1 77 77 GLN HA H 1 4.130 0.030 . 1 . . . . 77 GLN HA . 10148 1 884 . 1 1 77 77 GLN CB C 13 28.479 0.300 . 1 . . . . 77 GLN CB . 10148 1 885 . 1 1 77 77 GLN HB2 H 1 2.192 0.030 . 2 . . . . 77 GLN HB2 . 10148 1 886 . 1 1 77 77 GLN HB3 H 1 2.127 0.030 . 2 . . . . 77 GLN HB3 . 10148 1 887 . 1 1 77 77 GLN CG C 13 33.959 0.300 . 1 . . . . 77 GLN CG . 10148 1 888 . 1 1 77 77 GLN HG2 H 1 2.498 0.030 . 1 . . . . 77 GLN HG2 . 10148 1 889 . 1 1 77 77 GLN HG3 H 1 2.498 0.030 . 1 . . . . 77 GLN HG3 . 10148 1 890 . 1 1 77 77 GLN NE2 N 15 112.627 0.300 . 1 . . . . 77 GLN NE2 . 10148 1 891 . 1 1 77 77 GLN HE21 H 1 6.929 0.030 . 2 . . . . 77 GLN HE21 . 10148 1 892 . 1 1 77 77 GLN HE22 H 1 7.568 0.030 . 2 . . . . 77 GLN HE22 . 10148 1 893 . 1 1 77 77 GLN C C 13 176.283 0.300 . 1 . . . . 77 GLN C . 10148 1 894 . 1 1 78 78 GLU N N 15 120.320 0.300 . 1 . . . . 78 GLU N . 10148 1 895 . 1 1 78 78 GLU H H 1 8.682 0.030 . 1 . . . . 78 GLU H . 10148 1 896 . 1 1 78 78 GLU CA C 13 58.540 0.300 . 1 . . . . 78 GLU CA . 10148 1 897 . 1 1 78 78 GLU HA H 1 4.165 0.030 . 1 . . . . 78 GLU HA . 10148 1 898 . 1 1 78 78 GLU CB C 13 29.469 0.300 . 1 . . . . 78 GLU CB . 10148 1 899 . 1 1 78 78 GLU HB2 H 1 1.371 0.030 . 2 . . . . 78 GLU HB2 . 10148 1 900 . 1 1 78 78 GLU HB3 H 1 1.432 0.030 . 2 . . . . 78 GLU HB3 . 10148 1 901 . 1 1 78 78 GLU CG C 13 35.799 0.300 . 1 . . . . 78 GLU CG . 10148 1 902 . 1 1 78 78 GLU HG2 H 1 1.891 0.030 . 2 . . . . 78 GLU HG2 . 10148 1 903 . 1 1 78 78 GLU HG3 H 1 1.771 0.030 . 2 . . . . 78 GLU HG3 . 10148 1 904 . 1 1 78 78 GLU C C 13 177.275 0.300 . 1 . . . . 78 GLU C . 10148 1 905 . 1 1 79 79 CYS N N 15 114.728 0.300 . 1 . . . . 79 CYS N . 10148 1 906 . 1 1 79 79 CYS H H 1 8.018 0.030 . 1 . . . . 79 CYS H . 10148 1 907 . 1 1 79 79 CYS CA C 13 58.271 0.300 . 1 . . . . 79 CYS CA . 10148 1 908 . 1 1 79 79 CYS HA H 1 5.142 0.030 . 1 . . . . 79 CYS HA . 10148 1 909 . 1 1 79 79 CYS CB C 13 32.339 0.300 . 1 . . . . 79 CYS CB . 10148 1 910 . 1 1 79 79 CYS HB2 H 1 3.420 0.030 . 2 . . . . 79 CYS HB2 . 10148 1 911 . 1 1 79 79 CYS HB3 H 1 2.826 0.030 . 2 . . . . 79 CYS HB3 . 10148 1 912 . 1 1 79 79 CYS C C 13 176.280 0.300 . 1 . . . . 79 CYS C . 10148 1 913 . 1 1 80 80 GLY N N 15 113.675 0.300 . 1 . . . . 80 GLY N . 10148 1 914 . 1 1 80 80 GLY H H 1 8.133 0.030 . 1 . . . . 80 GLY H . 10148 1 915 . 1 1 80 80 GLY CA C 13 46.206 0.300 . 1 . . . . 80 GLY CA . 10148 1 916 . 1 1 80 80 GLY HA2 H 1 4.213 0.030 . 2 . . . . 80 GLY HA2 . 10148 1 917 . 1 1 80 80 GLY HA3 H 1 3.755 0.030 . 2 . . . . 80 GLY HA3 . 10148 1 918 . 1 1 80 80 GLY C C 13 173.619 0.300 . 1 . . . . 80 GLY C . 10148 1 919 . 1 1 81 81 LYS N N 15 122.811 0.300 . 1 . . . . 81 LYS N . 10148 1 920 . 1 1 81 81 LYS H H 1 7.945 0.030 . 1 . . . . 81 LYS H . 10148 1 921 . 1 1 81 81 LYS CA C 13 58.211 0.300 . 1 . . . . 81 LYS CA . 10148 1 922 . 1 1 81 81 LYS HA H 1 3.947 0.030 . 1 . . . . 81 LYS HA . 10148 1 923 . 1 1 81 81 LYS CB C 13 33.921 0.300 . 1 . . . . 81 LYS CB . 10148 1 924 . 1 1 81 81 LYS HB2 H 1 1.486 0.030 . 2 . . . . 81 LYS HB2 . 10148 1 925 . 1 1 81 81 LYS HB3 H 1 1.256 0.030 . 2 . . . . 81 LYS HB3 . 10148 1 926 . 1 1 81 81 LYS CG C 13 26.251 0.300 . 1 . . . . 81 LYS CG . 10148 1 927 . 1 1 81 81 LYS HG2 H 1 1.059 0.030 . 2 . . . . 81 LYS HG2 . 10148 1 928 . 1 1 81 81 LYS HG3 H 1 1.427 0.030 . 2 . . . . 81 LYS HG3 . 10148 1 929 . 1 1 81 81 LYS CD C 13 29.428 0.300 . 1 . . . . 81 LYS CD . 10148 1 930 . 1 1 81 81 LYS HD2 H 1 1.450 0.030 . 2 . . . . 81 LYS HD2 . 10148 1 931 . 1 1 81 81 LYS HD3 H 1 1.546 0.030 . 2 . . . . 81 LYS HD3 . 10148 1 932 . 1 1 81 81 LYS CE C 13 42.207 0.300 . 1 . . . . 81 LYS CE . 10148 1 933 . 1 1 81 81 LYS HE2 H 1 2.950 0.030 . 2 . . . . 81 LYS HE2 . 10148 1 934 . 1 1 81 81 LYS HE3 H 1 2.893 0.030 . 2 . . . . 81 LYS HE3 . 10148 1 935 . 1 1 81 81 LYS C C 13 174.639 0.300 . 1 . . . . 81 LYS C . 10148 1 936 . 1 1 82 82 GLY N N 15 108.366 0.300 . 1 . . . . 82 GLY N . 10148 1 937 . 1 1 82 82 GLY H H 1 7.936 0.030 . 1 . . . . 82 GLY H . 10148 1 938 . 1 1 82 82 GLY CA C 13 44.048 0.300 . 1 . . . . 82 GLY CA . 10148 1 939 . 1 1 82 82 GLY HA2 H 1 4.847 0.030 . 2 . . . . 82 GLY HA2 . 10148 1 940 . 1 1 82 82 GLY HA3 H 1 3.291 0.030 . 2 . . . . 82 GLY HA3 . 10148 1 941 . 1 1 82 82 GLY C C 13 172.166 0.300 . 1 . . . . 82 GLY C . 10148 1 942 . 1 1 83 83 PHE N N 15 117.822 0.300 . 1 . . . . 83 PHE N . 10148 1 943 . 1 1 83 83 PHE H H 1 8.697 0.030 . 1 . . . . 83 PHE H . 10148 1 944 . 1 1 83 83 PHE CA C 13 57.338 0.300 . 1 . . . . 83 PHE CA . 10148 1 945 . 1 1 83 83 PHE HA H 1 4.755 0.030 . 1 . . . . 83 PHE HA . 10148 1 946 . 1 1 83 83 PHE CB C 13 43.462 0.300 . 1 . . . . 83 PHE CB . 10148 1 947 . 1 1 83 83 PHE HB2 H 1 3.433 0.030 . 2 . . . . 83 PHE HB2 . 10148 1 948 . 1 1 83 83 PHE HB3 H 1 2.649 0.030 . 2 . . . . 83 PHE HB3 . 10148 1 949 . 1 1 83 83 PHE CD1 C 13 132.571 0.300 . 1 . . . . 83 PHE CD1 . 10148 1 950 . 1 1 83 83 PHE HD1 H 1 7.199 0.030 . 1 . . . . 83 PHE HD1 . 10148 1 951 . 1 1 83 83 PHE CD2 C 13 132.571 0.300 . 1 . . . . 83 PHE CD2 . 10148 1 952 . 1 1 83 83 PHE HD2 H 1 7.199 0.030 . 1 . . . . 83 PHE HD2 . 10148 1 953 . 1 1 83 83 PHE CE1 C 13 130.558 0.300 . 1 . . . . 83 PHE CE1 . 10148 1 954 . 1 1 83 83 PHE HE1 H 1 6.756 0.030 . 1 . . . . 83 PHE HE1 . 10148 1 955 . 1 1 83 83 PHE CE2 C 13 130.558 0.300 . 1 . . . . 83 PHE CE2 . 10148 1 956 . 1 1 83 83 PHE HE2 H 1 6.756 0.030 . 1 . . . . 83 PHE HE2 . 10148 1 957 . 1 1 83 83 PHE CZ C 13 128.433 0.300 . 1 . . . . 83 PHE CZ . 10148 1 958 . 1 1 83 83 PHE HZ H 1 6.104 0.030 . 1 . . . . 83 PHE HZ . 10148 1 959 . 1 1 83 83 PHE C C 13 175.424 0.300 . 1 . . . . 83 PHE C . 10148 1 960 . 1 1 84 84 CYS CA C 13 60.706 0.300 . 1 . . . . 84 CYS CA . 10148 1 961 . 1 1 84 84 CYS HA H 1 4.608 0.030 . 1 . . . . 84 CYS HA . 10148 1 962 . 1 1 84 84 CYS CB C 13 28.990 0.300 . 1 . . . . 84 CYS CB . 10148 1 963 . 1 1 84 84 CYS HB2 H 1 3.243 0.030 . 2 . . . . 84 CYS HB2 . 10148 1 964 . 1 1 84 84 CYS HB3 H 1 3.073 0.030 . 2 . . . . 84 CYS HB3 . 10148 1 965 . 1 1 84 84 CYS C C 13 174.163 0.300 . 1 . . . . 84 CYS C . 10148 1 966 . 1 1 85 85 GLN N N 15 114.620 0.300 . 1 . . . . 85 GLN N . 10148 1 967 . 1 1 85 85 GLN H H 1 7.326 0.030 . 1 . . . . 85 GLN H . 10148 1 968 . 1 1 85 85 GLN CA C 13 54.098 0.300 . 1 . . . . 85 GLN CA . 10148 1 969 . 1 1 85 85 GLN HA H 1 4.648 0.030 . 1 . . . . 85 GLN HA . 10148 1 970 . 1 1 85 85 GLN CB C 13 32.066 0.300 . 1 . . . . 85 GLN CB . 10148 1 971 . 1 1 85 85 GLN HB2 H 1 2.044 0.030 . 2 . . . . 85 GLN HB2 . 10148 1 972 . 1 1 85 85 GLN HB3 H 1 2.239 0.030 . 2 . . . . 85 GLN HB3 . 10148 1 973 . 1 1 85 85 GLN CG C 13 33.832 0.300 . 1 . . . . 85 GLN CG . 10148 1 974 . 1 1 85 85 GLN HG2 H 1 2.395 0.030 . 1 . . . . 85 GLN HG2 . 10148 1 975 . 1 1 85 85 GLN HG3 H 1 2.395 0.030 . 1 . . . . 85 GLN HG3 . 10148 1 976 . 1 1 85 85 GLN NE2 N 15 112.481 0.300 . 1 . . . . 85 GLN NE2 . 10148 1 977 . 1 1 85 85 GLN HE21 H 1 6.925 0.030 . 2 . . . . 85 GLN HE21 . 10148 1 978 . 1 1 85 85 GLN HE22 H 1 7.559 0.030 . 2 . . . . 85 GLN HE22 . 10148 1 979 . 1 1 85 85 GLN C C 13 175.230 0.300 . 1 . . . . 85 GLN C . 10148 1 980 . 1 1 86 86 SER CA C 13 61.164 0.300 . 1 . . . . 86 SER CA . 10148 1 981 . 1 1 86 86 SER HA H 1 3.078 0.030 . 1 . . . . 86 SER HA . 10148 1 982 . 1 1 86 86 SER CB C 13 61.738 0.300 . 1 . . . . 86 SER CB . 10148 1 983 . 1 1 86 86 SER HB2 H 1 3.448 0.030 . 2 . . . . 86 SER HB2 . 10148 1 984 . 1 1 86 86 SER HB3 H 1 3.230 0.030 . 2 . . . . 86 SER HB3 . 10148 1 985 . 1 1 87 87 ARG CA C 13 58.886 0.300 . 1 . . . . 87 ARG CA . 10148 1 986 . 1 1 87 87 ARG HA H 1 4.049 0.030 . 1 . . . . 87 ARG HA . 10148 1 987 . 1 1 87 87 ARG CB C 13 29.519 0.300 . 1 . . . . 87 ARG CB . 10148 1 988 . 1 1 87 87 ARG HB2 H 1 1.839 0.030 . 2 . . . . 87 ARG HB2 . 10148 1 989 . 1 1 87 87 ARG HB3 H 1 1.684 0.030 . 2 . . . . 87 ARG HB3 . 10148 1 990 . 1 1 87 87 ARG CG C 13 26.708 0.300 . 1 . . . . 87 ARG CG . 10148 1 991 . 1 1 87 87 ARG HG2 H 1 1.550 0.030 . 1 . . . . 87 ARG HG2 . 10148 1 992 . 1 1 87 87 ARG HG3 H 1 1.550 0.030 . 1 . . . . 87 ARG HG3 . 10148 1 993 . 1 1 87 87 ARG CD C 13 43.126 0.300 . 1 . . . . 87 ARG CD . 10148 1 994 . 1 1 87 87 ARG HD2 H 1 3.100 0.030 . 2 . . . . 87 ARG HD2 . 10148 1 995 . 1 1 87 87 ARG HD3 H 1 3.147 0.030 . 2 . . . . 87 ARG HD3 . 10148 1 996 . 1 1 87 87 ARG C C 13 177.520 0.300 . 1 . . . . 87 ARG C . 10148 1 997 . 1 1 88 88 THR N N 15 112.500 0.300 . 1 . . . . 88 THR N . 10148 1 998 . 1 1 88 88 THR H H 1 6.796 0.030 . 1 . . . . 88 THR H . 10148 1 999 . 1 1 88 88 THR CA C 13 64.598 0.300 . 1 . . . . 88 THR CA . 10148 1 1000 . 1 1 88 88 THR HA H 1 3.844 0.030 . 1 . . . . 88 THR HA . 10148 1 1001 . 1 1 88 88 THR CB C 13 67.809 0.300 . 1 . . . . 88 THR CB . 10148 1 1002 . 1 1 88 88 THR HB H 1 4.165 0.030 . 1 . . . . 88 THR HB . 10148 1 1003 . 1 1 88 88 THR CG2 C 13 24.318 0.300 . 1 . . . . 88 THR CG2 . 10148 1 1004 . 1 1 88 88 THR HG21 H 1 1.297 0.030 . 1 . . . . 88 THR HG2 . 10148 1 1005 . 1 1 88 88 THR HG22 H 1 1.297 0.030 . 1 . . . . 88 THR HG2 . 10148 1 1006 . 1 1 88 88 THR HG23 H 1 1.297 0.030 . 1 . . . . 88 THR HG2 . 10148 1 1007 . 1 1 88 88 THR C C 13 177.343 0.300 . 1 . . . . 88 THR C . 10148 1 1008 . 1 1 89 89 LEU N N 15 123.163 0.300 . 1 . . . . 89 LEU N . 10148 1 1009 . 1 1 89 89 LEU H H 1 6.898 0.030 . 1 . . . . 89 LEU H . 10148 1 1010 . 1 1 89 89 LEU CA C 13 57.692 0.300 . 1 . . . . 89 LEU CA . 10148 1 1011 . 1 1 89 89 LEU HA H 1 3.147 0.030 . 1 . . . . 89 LEU HA . 10148 1 1012 . 1 1 89 89 LEU CB C 13 40.133 0.300 . 1 . . . . 89 LEU CB . 10148 1 1013 . 1 1 89 89 LEU HB2 H 1 1.829 0.030 . 2 . . . . 89 LEU HB2 . 10148 1 1014 . 1 1 89 89 LEU HB3 H 1 1.208 0.030 . 2 . . . . 89 LEU HB3 . 10148 1 1015 . 1 1 89 89 LEU CG C 13 27.502 0.300 . 1 . . . . 89 LEU CG . 10148 1 1016 . 1 1 89 89 LEU HG H 1 1.504 0.030 . 1 . . . . 89 LEU HG . 10148 1 1017 . 1 1 89 89 LEU CD1 C 13 22.587 0.300 . 2 . . . . 89 LEU CD1 . 10148 1 1018 . 1 1 89 89 LEU HD11 H 1 0.953 0.030 . 1 . . . . 89 LEU HD1 . 10148 1 1019 . 1 1 89 89 LEU HD12 H 1 0.953 0.030 . 1 . . . . 89 LEU HD1 . 10148 1 1020 . 1 1 89 89 LEU HD13 H 1 0.953 0.030 . 1 . . . . 89 LEU HD1 . 10148 1 1021 . 1 1 89 89 LEU CD2 C 13 26.739 0.300 . 2 . . . . 89 LEU CD2 . 10148 1 1022 . 1 1 89 89 LEU HD21 H 1 1.003 0.030 . 1 . . . . 89 LEU HD2 . 10148 1 1023 . 1 1 89 89 LEU HD22 H 1 1.003 0.030 . 1 . . . . 89 LEU HD2 . 10148 1 1024 . 1 1 89 89 LEU HD23 H 1 1.003 0.030 . 1 . . . . 89 LEU HD2 . 10148 1 1025 . 1 1 89 89 LEU C C 13 176.886 0.300 . 1 . . . . 89 LEU C . 10148 1 1026 . 1 1 90 90 ALA N N 15 120.747 0.300 . 1 . . . . 90 ALA N . 10148 1 1027 . 1 1 90 90 ALA H H 1 7.837 0.030 . 1 . . . . 90 ALA H . 10148 1 1028 . 1 1 90 90 ALA CA C 13 55.646 0.300 . 1 . . . . 90 ALA CA . 10148 1 1029 . 1 1 90 90 ALA HA H 1 3.914 0.030 . 1 . . . . 90 ALA HA . 10148 1 1030 . 1 1 90 90 ALA CB C 13 17.722 0.300 . 1 . . . . 90 ALA CB . 10148 1 1031 . 1 1 90 90 ALA HB1 H 1 1.418 0.030 . 1 . . . . 90 ALA HB . 10148 1 1032 . 1 1 90 90 ALA HB2 H 1 1.418 0.030 . 1 . . . . 90 ALA HB . 10148 1 1033 . 1 1 90 90 ALA HB3 H 1 1.418 0.030 . 1 . . . . 90 ALA HB . 10148 1 1034 . 1 1 90 90 ALA C C 13 180.692 0.300 . 1 . . . . 90 ALA C . 10148 1 1035 . 1 1 91 91 VAL N N 15 117.181 0.300 . 1 . . . . 91 VAL N . 10148 1 1036 . 1 1 91 91 VAL H H 1 7.475 0.030 . 1 . . . . 91 VAL H . 10148 1 1037 . 1 1 91 91 VAL CA C 13 65.880 0.300 . 1 . . . . 91 VAL CA . 10148 1 1038 . 1 1 91 91 VAL HA H 1 3.662 0.030 . 1 . . . . 91 VAL HA . 10148 1 1039 . 1 1 91 91 VAL CB C 13 32.018 0.300 . 1 . . . . 91 VAL CB . 10148 1 1040 . 1 1 91 91 VAL HB H 1 1.945 0.030 . 1 . . . . 91 VAL HB . 10148 1 1041 . 1 1 91 91 VAL CG1 C 13 22.191 0.300 . 2 . . . . 91 VAL CG1 . 10148 1 1042 . 1 1 91 91 VAL HG11 H 1 1.010 0.030 . 1 . . . . 91 VAL HG1 . 10148 1 1043 . 1 1 91 91 VAL HG12 H 1 1.010 0.030 . 1 . . . . 91 VAL HG1 . 10148 1 1044 . 1 1 91 91 VAL HG13 H 1 1.010 0.030 . 1 . . . . 91 VAL HG1 . 10148 1 1045 . 1 1 91 91 VAL CG2 C 13 21.021 0.300 . 2 . . . . 91 VAL CG2 . 10148 1 1046 . 1 1 91 91 VAL HG21 H 1 0.893 0.030 . 1 . . . . 91 VAL HG2 . 10148 1 1047 . 1 1 91 91 VAL HG22 H 1 0.893 0.030 . 1 . . . . 91 VAL HG2 . 10148 1 1048 . 1 1 91 91 VAL HG23 H 1 0.893 0.030 . 1 . . . . 91 VAL HG2 . 10148 1 1049 . 1 1 91 91 VAL C C 13 178.708 0.300 . 1 . . . . 91 VAL C . 10148 1 1050 . 1 1 92 92 HIS N N 15 121.501 0.300 . 1 . . . . 92 HIS N . 10148 1 1051 . 1 1 92 92 HIS H H 1 7.625 0.030 . 1 . . . . 92 HIS H . 10148 1 1052 . 1 1 92 92 HIS CA C 13 59.553 0.300 . 1 . . . . 92 HIS CA . 10148 1 1053 . 1 1 92 92 HIS HA H 1 4.095 0.030 . 1 . . . . 92 HIS HA . 10148 1 1054 . 1 1 92 92 HIS CB C 13 28.040 0.300 . 1 . . . . 92 HIS CB . 10148 1 1055 . 1 1 92 92 HIS HB2 H 1 3.140 0.030 . 2 . . . . 92 HIS HB2 . 10148 1 1056 . 1 1 92 92 HIS HB3 H 1 2.759 0.030 . 2 . . . . 92 HIS HB3 . 10148 1 1057 . 1 1 92 92 HIS CD2 C 13 127.296 0.300 . 1 . . . . 92 HIS CD2 . 10148 1 1058 . 1 1 92 92 HIS HD2 H 1 6.906 0.030 . 1 . . . . 92 HIS HD2 . 10148 1 1059 . 1 1 92 92 HIS CE1 C 13 139.171 0.300 . 1 . . . . 92 HIS CE1 . 10148 1 1060 . 1 1 92 92 HIS HE1 H 1 7.996 0.030 . 1 . . . . 92 HIS HE1 . 10148 1 1061 . 1 1 92 92 HIS C C 13 176.518 0.300 . 1 . . . . 92 HIS C . 10148 1 1062 . 1 1 93 93 LYS N N 15 116.162 0.300 . 1 . . . . 93 LYS N . 10148 1 1063 . 1 1 93 93 LYS H H 1 8.372 0.030 . 1 . . . . 93 LYS H . 10148 1 1064 . 1 1 93 93 LYS CA C 13 60.253 0.300 . 1 . . . . 93 LYS CA . 10148 1 1065 . 1 1 93 93 LYS HA H 1 3.732 0.030 . 1 . . . . 93 LYS HA . 10148 1 1066 . 1 1 93 93 LYS CB C 13 32.158 0.300 . 1 . . . . 93 LYS CB . 10148 1 1067 . 1 1 93 93 LYS HB2 H 1 1.952 0.030 . 1 . . . . 93 LYS HB2 . 10148 1 1068 . 1 1 93 93 LYS HB3 H 1 1.952 0.030 . 1 . . . . 93 LYS HB3 . 10148 1 1069 . 1 1 93 93 LYS CG C 13 25.986 0.300 . 1 . . . . 93 LYS CG . 10148 1 1070 . 1 1 93 93 LYS HG2 H 1 1.779 0.030 . 2 . . . . 93 LYS HG2 . 10148 1 1071 . 1 1 93 93 LYS HG3 H 1 1.863 0.030 . 2 . . . . 93 LYS HG3 . 10148 1 1072 . 1 1 93 93 LYS CD C 13 29.716 0.300 . 1 . . . . 93 LYS CD . 10148 1 1073 . 1 1 93 93 LYS HD2 H 1 1.792 0.030 . 2 . . . . 93 LYS HD2 . 10148 1 1074 . 1 1 93 93 LYS HD3 H 1 1.830 0.030 . 2 . . . . 93 LYS HD3 . 10148 1 1075 . 1 1 93 93 LYS CE C 13 41.871 0.300 . 1 . . . . 93 LYS CE . 10148 1 1076 . 1 1 93 93 LYS HE2 H 1 3.045 0.030 . 2 . . . . 93 LYS HE2 . 10148 1 1077 . 1 1 93 93 LYS HE3 H 1 3.157 0.030 . 2 . . . . 93 LYS HE3 . 10148 1 1078 . 1 1 93 93 LYS C C 13 179.211 0.300 . 1 . . . . 93 LYS C . 10148 1 1079 . 1 1 94 94 THR N N 15 111.607 0.300 . 1 . . . . 94 THR N . 10148 1 1080 . 1 1 94 94 THR H H 1 7.434 0.030 . 1 . . . . 94 THR H . 10148 1 1081 . 1 1 94 94 THR CA C 13 65.106 0.300 . 1 . . . . 94 THR CA . 10148 1 1082 . 1 1 94 94 THR HA H 1 4.034 0.030 . 1 . . . . 94 THR HA . 10148 1 1083 . 1 1 94 94 THR CB C 13 69.075 0.300 . 1 . . . . 94 THR CB . 10148 1 1084 . 1 1 94 94 THR HB H 1 4.237 0.030 . 1 . . . . 94 THR HB . 10148 1 1085 . 1 1 94 94 THR CG2 C 13 21.632 0.300 . 1 . . . . 94 THR CG2 . 10148 1 1086 . 1 1 94 94 THR HG21 H 1 1.334 0.030 . 1 . . . . 94 THR HG2 . 10148 1 1087 . 1 1 94 94 THR HG22 H 1 1.334 0.030 . 1 . . . . 94 THR HG2 . 10148 1 1088 . 1 1 94 94 THR HG23 H 1 1.334 0.030 . 1 . . . . 94 THR HG2 . 10148 1 1089 . 1 1 94 94 THR C C 13 176.406 0.300 . 1 . . . . 94 THR C . 10148 1 1090 . 1 1 95 95 LEU N N 15 121.689 0.300 . 1 . . . . 95 LEU N . 10148 1 1091 . 1 1 95 95 LEU H H 1 7.725 0.030 . 1 . . . . 95 LEU H . 10148 1 1092 . 1 1 95 95 LEU CA C 13 56.680 0.300 . 1 . . . . 95 LEU CA . 10148 1 1093 . 1 1 95 95 LEU HA H 1 4.020 0.030 . 1 . . . . 95 LEU HA . 10148 1 1094 . 1 1 95 95 LEU CB C 13 41.186 0.300 . 1 . . . . 95 LEU CB . 10148 1 1095 . 1 1 95 95 LEU HB2 H 1 1.319 0.030 . 2 . . . . 95 LEU HB2 . 10148 1 1096 . 1 1 95 95 LEU HB3 H 1 1.162 0.030 . 2 . . . . 95 LEU HB3 . 10148 1 1097 . 1 1 95 95 LEU CG C 13 26.832 0.300 . 1 . . . . 95 LEU CG . 10148 1 1098 . 1 1 95 95 LEU HG H 1 1.543 0.030 . 1 . . . . 95 LEU HG . 10148 1 1099 . 1 1 95 95 LEU CD1 C 13 24.939 0.300 . 2 . . . . 95 LEU CD1 . 10148 1 1100 . 1 1 95 95 LEU HD11 H 1 0.767 0.030 . 1 . . . . 95 LEU HD1 . 10148 1 1101 . 1 1 95 95 LEU HD12 H 1 0.767 0.030 . 1 . . . . 95 LEU HD1 . 10148 1 1102 . 1 1 95 95 LEU HD13 H 1 0.767 0.030 . 1 . . . . 95 LEU HD1 . 10148 1 1103 . 1 1 95 95 LEU CD2 C 13 23.106 0.300 . 2 . . . . 95 LEU CD2 . 10148 1 1104 . 1 1 95 95 LEU HD21 H 1 0.716 0.030 . 1 . . . . 95 LEU HD2 . 10148 1 1105 . 1 1 95 95 LEU HD22 H 1 0.716 0.030 . 1 . . . . 95 LEU HD2 . 10148 1 1106 . 1 1 95 95 LEU HD23 H 1 0.716 0.030 . 1 . . . . 95 LEU HD2 . 10148 1 1107 . 1 1 95 95 LEU C C 13 178.956 0.300 . 1 . . . . 95 LEU C . 10148 1 1108 . 1 1 96 96 HIS N N 15 114.750 0.300 . 1 . . . . 96 HIS N . 10148 1 1109 . 1 1 96 96 HIS H H 1 7.160 0.030 . 1 . . . . 96 HIS H . 10148 1 1110 . 1 1 96 96 HIS CA C 13 55.206 0.300 . 1 . . . . 96 HIS CA . 10148 1 1111 . 1 1 96 96 HIS HA H 1 4.730 0.030 . 1 . . . . 96 HIS HA . 10148 1 1112 . 1 1 96 96 HIS CB C 13 28.687 0.300 . 1 . . . . 96 HIS CB . 10148 1 1113 . 1 1 96 96 HIS HB2 H 1 3.322 0.030 . 2 . . . . 96 HIS HB2 . 10148 1 1114 . 1 1 96 96 HIS HB3 H 1 3.104 0.030 . 2 . . . . 96 HIS HB3 . 10148 1 1115 . 1 1 96 96 HIS CD2 C 13 127.256 0.300 . 1 . . . . 96 HIS CD2 . 10148 1 1116 . 1 1 96 96 HIS HD2 H 1 6.649 0.030 . 1 . . . . 96 HIS HD2 . 10148 1 1117 . 1 1 96 96 HIS CE1 C 13 139.861 0.300 . 1 . . . . 96 HIS CE1 . 10148 1 1118 . 1 1 96 96 HIS HE1 H 1 8.005 0.030 . 1 . . . . 96 HIS HE1 . 10148 1 1119 . 1 1 96 96 HIS C C 13 175.230 0.300 . 1 . . . . 96 HIS C . 10148 1 1120 . 1 1 97 97 MET N N 15 118.984 0.300 . 1 . . . . 97 MET N . 10148 1 1121 . 1 1 97 97 MET H H 1 7.626 0.030 . 1 . . . . 97 MET H . 10148 1 1122 . 1 1 97 97 MET CA C 13 55.995 0.300 . 1 . . . . 97 MET CA . 10148 1 1123 . 1 1 97 97 MET HA H 1 4.424 0.030 . 1 . . . . 97 MET HA . 10148 1 1124 . 1 1 97 97 MET CB C 13 33.065 0.300 . 1 . . . . 97 MET CB . 10148 1 1125 . 1 1 97 97 MET HB2 H 1 2.160 0.030 . 2 . . . . 97 MET HB2 . 10148 1 1126 . 1 1 97 97 MET HB3 H 1 2.042 0.030 . 2 . . . . 97 MET HB3 . 10148 1 1127 . 1 1 97 97 MET CG C 13 31.926 0.300 . 1 . . . . 97 MET CG . 10148 1 1128 . 1 1 97 97 MET HG2 H 1 2.556 0.030 . 2 . . . . 97 MET HG2 . 10148 1 1129 . 1 1 97 97 MET HG3 H 1 2.622 0.030 . 2 . . . . 97 MET HG3 . 10148 1 1130 . 1 1 97 97 MET CE C 13 16.912 0.300 . 1 . . . . 97 MET CE . 10148 1 1131 . 1 1 97 97 MET HE1 H 1 2.070 0.030 . 1 . . . . 97 MET HE . 10148 1 1132 . 1 1 97 97 MET HE2 H 1 2.070 0.030 . 1 . . . . 97 MET HE . 10148 1 1133 . 1 1 97 97 MET HE3 H 1 2.070 0.030 . 1 . . . . 97 MET HE . 10148 1 1134 . 1 1 97 97 MET C C 13 176.174 0.300 . 1 . . . . 97 MET C . 10148 1 1135 . 1 1 98 98 GLN N N 15 120.828 0.300 . 1 . . . . 98 GLN N . 10148 1 1136 . 1 1 98 98 GLN H H 1 8.271 0.030 . 1 . . . . 98 GLN H . 10148 1 1137 . 1 1 98 98 GLN CA C 13 55.951 0.300 . 1 . . . . 98 GLN CA . 10148 1 1138 . 1 1 98 98 GLN HA H 1 4.382 0.030 . 1 . . . . 98 GLN HA . 10148 1 1139 . 1 1 98 98 GLN CB C 13 29.364 0.300 . 1 . . . . 98 GLN CB . 10148 1 1140 . 1 1 98 98 GLN HB2 H 1 2.131 0.030 . 2 . . . . 98 GLN HB2 . 10148 1 1141 . 1 1 98 98 GLN HB3 H 1 2.014 0.030 . 2 . . . . 98 GLN HB3 . 10148 1 1142 . 1 1 98 98 GLN CG C 13 33.826 0.300 . 1 . . . . 98 GLN CG . 10148 1 1143 . 1 1 98 98 GLN HG2 H 1 2.388 0.030 . 1 . . . . 98 GLN HG2 . 10148 1 1144 . 1 1 98 98 GLN HG3 H 1 2.388 0.030 . 1 . . . . 98 GLN HG3 . 10148 1 1145 . 1 1 98 98 GLN NE2 N 15 112.457 0.300 . 1 . . . . 98 GLN NE2 . 10148 1 1146 . 1 1 98 98 GLN HE21 H 1 6.840 0.030 . 2 . . . . 98 GLN HE21 . 10148 1 1147 . 1 1 98 98 GLN HE22 H 1 7.491 0.030 . 2 . . . . 98 GLN HE22 . 10148 1 1148 . 1 1 98 98 GLN C C 13 176.242 0.300 . 1 . . . . 98 GLN C . 10148 1 1149 . 1 1 99 99 THR N N 15 114.965 0.300 . 1 . . . . 99 THR N . 10148 1 1150 . 1 1 99 99 THR H H 1 8.200 0.030 . 1 . . . . 99 THR H . 10148 1 1151 . 1 1 99 99 THR CA C 13 61.773 0.300 . 1 . . . . 99 THR CA . 10148 1 1152 . 1 1 99 99 THR HA H 1 4.374 0.030 . 1 . . . . 99 THR HA . 10148 1 1153 . 1 1 99 99 THR CB C 13 69.654 0.300 . 1 . . . . 99 THR CB . 10148 1 1154 . 1 1 99 99 THR HB H 1 4.244 0.030 . 1 . . . . 99 THR HB . 10148 1 1155 . 1 1 99 99 THR CG2 C 13 21.524 0.300 . 1 . . . . 99 THR CG2 . 10148 1 1156 . 1 1 99 99 THR HG21 H 1 1.188 0.030 . 1 . . . . 99 THR HG2 . 10148 1 1157 . 1 1 99 99 THR HG22 H 1 1.188 0.030 . 1 . . . . 99 THR HG2 . 10148 1 1158 . 1 1 99 99 THR HG23 H 1 1.188 0.030 . 1 . . . . 99 THR HG2 . 10148 1 1159 . 1 1 99 99 THR C C 13 174.491 0.300 . 1 . . . . 99 THR C . 10148 1 1160 . 1 1 100 100 SER N N 15 118.047 0.300 . 1 . . . . 100 SER N . 10148 1 1161 . 1 1 100 100 SER H H 1 8.311 0.030 . 1 . . . . 100 SER H . 10148 1 1162 . 1 1 100 100 SER CA C 13 58.240 0.300 . 1 . . . . 100 SER CA . 10148 1 1163 . 1 1 100 100 SER HA H 1 4.493 0.030 . 1 . . . . 100 SER HA . 10148 1 1164 . 1 1 100 100 SER CB C 13 63.843 0.300 . 1 . . . . 100 SER CB . 10148 1 1165 . 1 1 100 100 SER HB2 H 1 3.850 0.030 . 1 . . . . 100 SER HB2 . 10148 1 1166 . 1 1 100 100 SER HB3 H 1 3.850 0.030 . 1 . . . . 100 SER HB3 . 10148 1 1167 . 1 1 100 100 SER C C 13 174.152 0.300 . 1 . . . . 100 SER C . 10148 1 1168 . 1 1 101 101 SER N N 15 118.812 0.300 . 1 . . . . 101 SER N . 10148 1 1169 . 1 1 101 101 SER H H 1 8.358 0.030 . 1 . . . . 101 SER H . 10148 1 1170 . 1 1 101 101 SER CA C 13 56.348 0.300 . 1 . . . . 101 SER CA . 10148 1 1171 . 1 1 101 101 SER HA H 1 4.773 0.030 . 1 . . . . 101 SER HA . 10148 1 1172 . 1 1 101 101 SER CB C 13 63.554 0.300 . 1 . . . . 101 SER CB . 10148 1 1173 . 1 1 101 101 SER HB2 H 1 3.849 0.030 . 1 . . . . 101 SER HB2 . 10148 1 1174 . 1 1 101 101 SER HB3 H 1 3.849 0.030 . 1 . . . . 101 SER HB3 . 10148 1 1175 . 1 1 101 101 SER C C 13 172.898 0.300 . 1 . . . . 101 SER C . 10148 1 1176 . 1 1 102 102 PRO CA C 13 63.453 0.300 . 1 . . . . 102 PRO CA . 10148 1 1177 . 1 1 102 102 PRO HA H 1 4.485 0.030 . 1 . . . . 102 PRO HA . 10148 1 1178 . 1 1 102 102 PRO CB C 13 32.126 0.300 . 1 . . . . 102 PRO CB . 10148 1 1179 . 1 1 102 102 PRO HB2 H 1 2.289 0.030 . 1 . . . . 102 PRO HB2 . 10148 1 1180 . 1 1 102 102 PRO HB3 H 1 2.289 0.030 . 1 . . . . 102 PRO HB3 . 10148 1 1181 . 1 1 102 102 PRO CG C 13 27.339 0.300 . 1 . . . . 102 PRO CG . 10148 1 1182 . 1 1 102 102 PRO HG2 H 1 2.006 0.030 . 1 . . . . 102 PRO HG2 . 10148 1 1183 . 1 1 102 102 PRO HG3 H 1 2.006 0.030 . 1 . . . . 102 PRO HG3 . 10148 1 1184 . 1 1 102 102 PRO CD C 13 50.813 0.300 . 1 . . . . 102 PRO CD . 10148 1 1185 . 1 1 102 102 PRO HD2 H 1 3.724 0.030 . 2 . . . . 102 PRO HD2 . 10148 1 1186 . 1 1 102 102 PRO HD3 H 1 3.802 0.030 . 2 . . . . 102 PRO HD3 . 10148 1 1187 . 1 1 102 102 PRO C C 13 177.181 0.300 . 1 . . . . 102 PRO C . 10148 1 1188 . 1 1 103 103 THR N N 15 114.257 0.300 . 1 . . . . 103 THR N . 10148 1 1189 . 1 1 103 103 THR H H 1 8.188 0.030 . 1 . . . . 103 THR H . 10148 1 1190 . 1 1 103 103 THR CA C 13 61.748 0.300 . 1 . . . . 103 THR CA . 10148 1 1191 . 1 1 103 103 THR HA H 1 4.273 0.030 . 1 . . . . 103 THR HA . 10148 1 1192 . 1 1 103 103 THR CB C 13 69.833 0.300 . 1 . . . . 103 THR CB . 10148 1 1193 . 1 1 103 103 THR HB H 1 4.245 0.030 . 1 . . . . 103 THR HB . 10148 1 1194 . 1 1 103 103 THR CG2 C 13 21.680 0.300 . 1 . . . . 103 THR CG2 . 10148 1 1195 . 1 1 103 103 THR HG21 H 1 1.180 0.030 . 1 . . . . 103 THR HG2 . 10148 1 1196 . 1 1 103 103 THR HG22 H 1 1.180 0.030 . 1 . . . . 103 THR HG2 . 10148 1 1197 . 1 1 103 103 THR HG23 H 1 1.180 0.030 . 1 . . . . 103 THR HG2 . 10148 1 1198 . 1 1 103 103 THR C C 13 174.258 0.300 . 1 . . . . 103 THR C . 10148 1 1199 . 1 1 104 104 ALA N N 15 126.872 0.300 . 1 . . . . 104 ALA N . 10148 1 1200 . 1 1 104 104 ALA H H 1 8.240 0.030 . 1 . . . . 104 ALA H . 10148 1 1201 . 1 1 104 104 ALA CA C 13 52.369 0.300 . 1 . . . . 104 ALA CA . 10148 1 1202 . 1 1 104 104 ALA HA H 1 4.316 0.030 . 1 . . . . 104 ALA HA . 10148 1 1203 . 1 1 104 104 ALA CB C 13 19.417 0.300 . 1 . . . . 104 ALA CB . 10148 1 1204 . 1 1 104 104 ALA HB1 H 1 1.380 0.030 . 1 . . . . 104 ALA HB . 10148 1 1205 . 1 1 104 104 ALA HB2 H 1 1.380 0.030 . 1 . . . . 104 ALA HB . 10148 1 1206 . 1 1 104 104 ALA HB3 H 1 1.380 0.030 . 1 . . . . 104 ALA HB . 10148 1 1207 . 1 1 104 104 ALA C C 13 177.129 0.300 . 1 . . . . 104 ALA C . 10148 1 1208 . 1 1 105 105 ALA N N 15 124.353 0.300 . 1 . . . . 105 ALA N . 10148 1 1209 . 1 1 105 105 ALA H H 1 8.312 0.030 . 1 . . . . 105 ALA H . 10148 1 1210 . 1 1 105 105 ALA CA C 13 52.408 0.300 . 1 . . . . 105 ALA CA . 10148 1 1211 . 1 1 105 105 ALA HA H 1 4.327 0.030 . 1 . . . . 105 ALA HA . 10148 1 1212 . 1 1 105 105 ALA CB C 13 19.416 0.300 . 1 . . . . 105 ALA CB . 10148 1 1213 . 1 1 105 105 ALA HB1 H 1 1.382 0.030 . 1 . . . . 105 ALA HB . 10148 1 1214 . 1 1 105 105 ALA HB2 H 1 1.382 0.030 . 1 . . . . 105 ALA HB . 10148 1 1215 . 1 1 105 105 ALA HB3 H 1 1.382 0.030 . 1 . . . . 105 ALA HB . 10148 1 1216 . 1 1 105 105 ALA C C 13 176.902 0.300 . 1 . . . . 105 ALA C . 10148 1 1217 . 1 1 106 106 SER N N 15 120.856 0.300 . 1 . . . . 106 SER N . 10148 1 1218 . 1 1 106 106 SER H H 1 7.898 0.030 . 1 . . . . 106 SER H . 10148 1 1219 . 1 1 106 106 SER CA C 13 59.880 0.300 . 1 . . . . 106 SER CA . 10148 1 1220 . 1 1 106 106 SER HA H 1 4.218 0.030 . 1 . . . . 106 SER HA . 10148 1 1221 . 1 1 106 106 SER CB C 13 64.853 0.300 . 1 . . . . 106 SER CB . 10148 1 1222 . 1 1 106 106 SER HB2 H 1 3.817 0.030 . 1 . . . . 106 SER HB2 . 10148 1 1223 . 1 1 106 106 SER HB3 H 1 3.817 0.030 . 1 . . . . 106 SER HB3 . 10148 1 1224 . 1 1 106 106 SER C C 13 178.605 0.300 . 1 . . . . 106 SER C . 10148 1 stop_ save_