data_6196 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6196 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Arath;CDC25; a dual-specificity tyrosine phosphatase from Arabidopsis thaliana ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-04-26 _Entry.Accession_date 2004-04-28 _Entry.Last_release_date 2004-09-07 _Entry.Original_release_date 2004-09-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Isabelle Landrieu . . . 6196 2 Jean-Michel Wieruszeski . . . 6196 3 Sahar Hassan . . . 6196 4 Guy Lippens . . . 6196 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6196 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 388 6196 '15N chemical shifts' 124 6196 '1H chemical shifts' 583 6196 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 . . 2004-09-07 2004-04-26 original author . 6196 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6195 'wild type protein' 6196 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6196 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15329414 _Citation.Full_citation . _Citation.Title 'A small CDC25 dual-specificity tyrosine-phosphatase isoform in Arabidopsis thaliana' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _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 2004 _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 Isabelle Landrieu . . . 6196 1 2 M. 'Da Costa' . . . 6196 1 3 L. 'De Veylder' . . . 6196 1 4 F. Dewitte . . . 6196 1 5 K. Vandepoele . . . 6196 1 6 Sahar Hassan . . . 6196 1 7 Jean-Michel Wieruszeski . . . 6196 1 8 J. Faure . D. . 6196 1 9 M. 'Von Montagu' . . . 6196 1 10 D. Inze . . . 6196 1 11 Guy Lippens . . . 6196 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CDC25 6196 1 'cell cycle' 6196 1 phosphorylation 6196 1 plant 6196 1 'zinc binding loop' 6196 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CDC25 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CDC25 _Assembly.Entry_ID 6196 _Assembly.ID 1 _Assembly.Name 'Arath; CDC25; CYS131SER mutant' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'other bound and free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6196 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Arath; CDC25 monomer; CYS131SER mutant' 1 $CDC25 . . . native . . . . . 6196 1 2 'ZINC (II) ION' 2 $ZN . . . native . . . . . 6196 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Arath; CDC25; CYS131SER mutant' system 6196 1 CDC25 abbreviation 6196 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Dual-specificity tyrosine phosphatase' 6196 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CDC25 _Entity.Sf_category entity _Entity.Sf_framecode CDC25 _Entity.Entry_ID 6196 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Dual-specificity tyrosine phosphatase; CYS131SER mutant' _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 ; MGRSIFSFFTKKKKMAMARS ISYITSTQLLPLHRRPNIAI IDVRDEERNYDGHIAGSLHY ASGSFDDKISHLVQNVKDKD TLVFHSALSQVRGPTCARRL VNYLDEKKEDTGIKNIMILE RGFNGWEASGKPVCRCAEVP CKGDSA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'other bound and free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Mutation C72S, Mutation C131S' _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT Q8GY31 . 'Dual specificity phosphatase Cdc25 (Arath;CDC25)' . . . . . 100.00 146 98.63 98.63 9.56e-81 . . . . 6196 1 . . REF NP_568119 . 'CDC25 [Arabidopsis thaliana]' . . . . . 100.00 146 98.63 98.63 9.56e-81 . . . . 6196 1 . . GenBank AAO39886 . 'At5g03455 [Arabidopsis thaliana]' . . . . . 100.00 146 98.63 98.63 9.56e-81 . . . . 6196 1 . . GenBank AAM63780 . 'unknown [Arabidopsis thaliana]' . . . . . 89.04 130 98.46 98.46 5.91e-71 . . . . 6196 1 . . EMBL CAB83305 . 'putative protein [Arabidopsis thaliana]' . . . . . 90.41 132 98.48 98.48 3.03e-72 . . . . 6196 1 . . DBJ BAC42537 . 'unknown protein [Arabidopsis thaliana]' . . . . . 100.00 146 98.63 98.63 9.56e-81 . . . . 6196 1 . . BMRB 6195 . 'Dual-specificity tyrosine phosphatase' . . . . . 90.41 132 99.24 99.24 6.64e-73 . . . . 6196 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CDC25 abbreviation 6196 1 'Dual-specificity tyrosine phosphatase; CYS131SER mutant' common 6196 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 -14 MET . 6196 1 2 -13 GLY . 6196 1 3 -12 ARG . 6196 1 4 -11 SER . 6196 1 5 -10 ILE . 6196 1 6 -9 PHE . 6196 1 7 -8 SER . 6196 1 8 -7 PHE . 6196 1 9 -6 PHE . 6196 1 10 -5 THR . 6196 1 11 -4 LYS . 6196 1 12 -3 LYS . 6196 1 13 -2 LYS . 6196 1 14 -1 LYS . 6196 1 15 1 MET . 6196 1 16 2 ALA . 6196 1 17 3 MET . 6196 1 18 4 ALA . 6196 1 19 5 ARG . 6196 1 20 6 SER . 6196 1 21 7 ILE . 6196 1 22 8 SER . 6196 1 23 9 TYR . 6196 1 24 10 ILE . 6196 1 25 11 THR . 6196 1 26 12 SER . 6196 1 27 13 THR . 6196 1 28 14 GLN . 6196 1 29 15 LEU . 6196 1 30 16 LEU . 6196 1 31 17 PRO . 6196 1 32 18 LEU . 6196 1 33 19 HIS . 6196 1 34 20 ARG . 6196 1 35 21 ARG . 6196 1 36 22 PRO . 6196 1 37 23 ASN . 6196 1 38 24 ILE . 6196 1 39 25 ALA . 6196 1 40 26 ILE . 6196 1 41 27 ILE . 6196 1 42 28 ASP . 6196 1 43 29 VAL . 6196 1 44 30 ARG . 6196 1 45 31 ASP . 6196 1 46 32 GLU . 6196 1 47 33 GLU . 6196 1 48 34 ARG . 6196 1 49 35 ASN . 6196 1 50 36 TYR . 6196 1 51 37 ASP . 6196 1 52 38 GLY . 6196 1 53 39 HIS . 6196 1 54 40 ILE . 6196 1 55 41 ALA . 6196 1 56 42 GLY . 6196 1 57 43 SER . 6196 1 58 44 LEU . 6196 1 59 45 HIS . 6196 1 60 46 TYR . 6196 1 61 47 ALA . 6196 1 62 48 SER . 6196 1 63 49 GLY . 6196 1 64 50 SER . 6196 1 65 51 PHE . 6196 1 66 52 ASP . 6196 1 67 53 ASP . 6196 1 68 54 LYS . 6196 1 69 55 ILE . 6196 1 70 56 SER . 6196 1 71 57 HIS . 6196 1 72 58 LEU . 6196 1 73 59 VAL . 6196 1 74 60 GLN . 6196 1 75 61 ASN . 6196 1 76 62 VAL . 6196 1 77 63 LYS . 6196 1 78 64 ASP . 6196 1 79 65 LYS . 6196 1 80 66 ASP . 6196 1 81 67 THR . 6196 1 82 68 LEU . 6196 1 83 69 VAL . 6196 1 84 70 PHE . 6196 1 85 71 HIS . 6196 1 86 72 SER . 6196 1 87 73 ALA . 6196 1 88 74 LEU . 6196 1 89 75 SER . 6196 1 90 76 GLN . 6196 1 91 77 VAL . 6196 1 92 78 ARG . 6196 1 93 79 GLY . 6196 1 94 80 PRO . 6196 1 95 81 THR . 6196 1 96 82 CYS . 6196 1 97 83 ALA . 6196 1 98 84 ARG . 6196 1 99 85 ARG . 6196 1 100 86 LEU . 6196 1 101 87 VAL . 6196 1 102 88 ASN . 6196 1 103 89 TYR . 6196 1 104 90 LEU . 6196 1 105 91 ASP . 6196 1 106 92 GLU . 6196 1 107 93 LYS . 6196 1 108 94 LYS . 6196 1 109 95 GLU . 6196 1 110 96 ASP . 6196 1 111 97 THR . 6196 1 112 98 GLY . 6196 1 113 99 ILE . 6196 1 114 100 LYS . 6196 1 115 101 ASN . 6196 1 116 102 ILE . 6196 1 117 103 MET . 6196 1 118 104 ILE . 6196 1 119 105 LEU . 6196 1 120 106 GLU . 6196 1 121 107 ARG . 6196 1 122 108 GLY . 6196 1 123 109 PHE . 6196 1 124 110 ASN . 6196 1 125 111 GLY . 6196 1 126 112 TRP . 6196 1 127 113 GLU . 6196 1 128 114 ALA . 6196 1 129 115 SER . 6196 1 130 116 GLY . 6196 1 131 117 LYS . 6196 1 132 118 PRO . 6196 1 133 119 VAL . 6196 1 134 120 CYS . 6196 1 135 121 ARG . 6196 1 136 122 CYS . 6196 1 137 123 ALA . 6196 1 138 124 GLU . 6196 1 139 125 VAL . 6196 1 140 126 PRO . 6196 1 141 127 CYS . 6196 1 142 128 LYS . 6196 1 143 129 GLY . 6196 1 144 130 ASP . 6196 1 145 131 SER . 6196 1 146 132 ALA . 6196 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6196 1 . GLY 2 2 6196 1 . ARG 3 3 6196 1 . SER 4 4 6196 1 . ILE 5 5 6196 1 . PHE 6 6 6196 1 . SER 7 7 6196 1 . PHE 8 8 6196 1 . PHE 9 9 6196 1 . THR 10 10 6196 1 . LYS 11 11 6196 1 . LYS 12 12 6196 1 . LYS 13 13 6196 1 . LYS 14 14 6196 1 . MET 15 15 6196 1 . ALA 16 16 6196 1 . MET 17 17 6196 1 . ALA 18 18 6196 1 . ARG 19 19 6196 1 . SER 20 20 6196 1 . ILE 21 21 6196 1 . SER 22 22 6196 1 . TYR 23 23 6196 1 . ILE 24 24 6196 1 . THR 25 25 6196 1 . SER 26 26 6196 1 . THR 27 27 6196 1 . GLN 28 28 6196 1 . LEU 29 29 6196 1 . LEU 30 30 6196 1 . PRO 31 31 6196 1 . LEU 32 32 6196 1 . HIS 33 33 6196 1 . ARG 34 34 6196 1 . ARG 35 35 6196 1 . PRO 36 36 6196 1 . ASN 37 37 6196 1 . ILE 38 38 6196 1 . ALA 39 39 6196 1 . ILE 40 40 6196 1 . ILE 41 41 6196 1 . ASP 42 42 6196 1 . VAL 43 43 6196 1 . ARG 44 44 6196 1 . ASP 45 45 6196 1 . GLU 46 46 6196 1 . GLU 47 47 6196 1 . ARG 48 48 6196 1 . ASN 49 49 6196 1 . TYR 50 50 6196 1 . ASP 51 51 6196 1 . GLY 52 52 6196 1 . HIS 53 53 6196 1 . ILE 54 54 6196 1 . ALA 55 55 6196 1 . GLY 56 56 6196 1 . SER 57 57 6196 1 . LEU 58 58 6196 1 . HIS 59 59 6196 1 . TYR 60 60 6196 1 . ALA 61 61 6196 1 . SER 62 62 6196 1 . GLY 63 63 6196 1 . SER 64 64 6196 1 . PHE 65 65 6196 1 . ASP 66 66 6196 1 . ASP 67 67 6196 1 . LYS 68 68 6196 1 . ILE 69 69 6196 1 . SER 70 70 6196 1 . HIS 71 71 6196 1 . LEU 72 72 6196 1 . VAL 73 73 6196 1 . GLN 74 74 6196 1 . ASN 75 75 6196 1 . VAL 76 76 6196 1 . LYS 77 77 6196 1 . ASP 78 78 6196 1 . LYS 79 79 6196 1 . ASP 80 80 6196 1 . THR 81 81 6196 1 . LEU 82 82 6196 1 . VAL 83 83 6196 1 . PHE 84 84 6196 1 . HIS 85 85 6196 1 . SER 86 86 6196 1 . ALA 87 87 6196 1 . LEU 88 88 6196 1 . SER 89 89 6196 1 . GLN 90 90 6196 1 . VAL 91 91 6196 1 . ARG 92 92 6196 1 . GLY 93 93 6196 1 . PRO 94 94 6196 1 . THR 95 95 6196 1 . CYS 96 96 6196 1 . ALA 97 97 6196 1 . ARG 98 98 6196 1 . ARG 99 99 6196 1 . LEU 100 100 6196 1 . VAL 101 101 6196 1 . ASN 102 102 6196 1 . TYR 103 103 6196 1 . LEU 104 104 6196 1 . ASP 105 105 6196 1 . GLU 106 106 6196 1 . LYS 107 107 6196 1 . LYS 108 108 6196 1 . GLU 109 109 6196 1 . ASP 110 110 6196 1 . THR 111 111 6196 1 . GLY 112 112 6196 1 . ILE 113 113 6196 1 . LYS 114 114 6196 1 . ASN 115 115 6196 1 . ILE 116 116 6196 1 . MET 117 117 6196 1 . ILE 118 118 6196 1 . LEU 119 119 6196 1 . GLU 120 120 6196 1 . ARG 121 121 6196 1 . GLY 122 122 6196 1 . PHE 123 123 6196 1 . ASN 124 124 6196 1 . GLY 125 125 6196 1 . TRP 126 126 6196 1 . GLU 127 127 6196 1 . ALA 128 128 6196 1 . SER 129 129 6196 1 . GLY 130 130 6196 1 . LYS 131 131 6196 1 . PRO 132 132 6196 1 . VAL 133 133 6196 1 . CYS 134 134 6196 1 . ARG 135 135 6196 1 . CYS 136 136 6196 1 . ALA 137 137 6196 1 . GLU 138 138 6196 1 . VAL 139 139 6196 1 . PRO 140 140 6196 1 . CYS 141 141 6196 1 . LYS 142 142 6196 1 . GLY 143 143 6196 1 . ASP 144 144 6196 1 . SER 145 145 6196 1 . ALA 146 146 6196 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6196 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 6196 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 6196 _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 $CDC25 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 6196 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 6196 _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 $CDC25 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3)star . . . . . . . . . . . . plasmid . . pET15b . . . . . . 6196 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 6196 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 15:29:31 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 6196 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6196 ZN [Zn++] SMILES CACTVS 3.341 6196 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6196 ZN [Zn+2] SMILES ACDLabs 10.04 6196 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6196 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6196 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 6196 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6196 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 . 6196 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6196 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Dual-specificity tyrosine phosphatase; CYS131SER mutant' '[U-90% 15N]' . . 1 $CDC25 . . 400 . . uM . . . . 6196 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6196 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Dual-specificity tyrosine phosphatase; CYS131SER mutant' '[U-95% 13C; U-90% 15N]' . . 1 $CDC25 . . 400 . . uM . . . . 6196 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6196 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Dual-specificity tyrosine phosphatase; CYS131SER mutant' '[U-95% 13C]' . . 1 $CDC25 . . 400 . . uM . . . . 6196 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6196 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Dual-specificity tyrosine phosphatase; CYS131SER mutant' [15N]-Lys . . 1 $CDC25 . . 250 . . uM . . . . 6196 4 stop_ save_ ####################### # Sample conditions # ####################### save_cond-1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond-1 _Sample_condition_list.Entry_ID 6196 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.6 0.2 pH 6196 1 temperature 293 1 K 6196 1 stop_ save_ ############################ # Computer software used # ############################ save_UXNMR _Software.Sf_category software _Software.Sf_framecode UXNMR _Software.Entry_ID 6196 _Software.ID 1 _Software.Name UXNMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data acquisition' 6196 1 stop_ save_ save_SNARF _Software.Sf_category software _Software.Sf_framecode SNARF _Software.Entry_ID 6196 _Software.ID 2 _Software.Name SNARF _Software.Version . _Software.Details 'Frank Van Hoesel, Groningen, the Netherlands' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6196 2 'peak picking (in-house development)' 6196 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6196 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6196 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6196 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DMX . 600 . . . 6196 1 2 NMR_spectrometer_2 Bruker Avance . 800 . . . 6196 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 6196 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N NOESY' . . . . . . . . . . . . . . . . 1 $cond-1 . . . . . . . . . . . . . . . . . . . . . 6196 1 2 '1H-13C NOESY' . . . . . . . . . . . . . . . . 1 $cond-1 . . . . . . . . . . . . . . . . . . . . . 6196 1 3 HNCA . . . . . . . . . . . . . . . . 1 $cond-1 . . . . . . . . . . . . . . . . . . . . . 6196 1 4 HNCO . . . . . . . . . . . . . . . . 1 $cond-1 . . . . . . . . . . . . . . . . . . . . . 6196 1 5 HN(CA)CO . . . . . . . . . . . . . . . . 1 $cond-1 . . . . . . . . . . . . . . . . . . . . . 6196 1 6 CBCANH . . . . . . . . . . . . . . . . 1 $cond-1 . . . . . . . . . . . . . . . . . . . . . 6196 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6196 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6196 1 H 1 d4-TSPA 'methyl protons' . . . . ppm 0.00 internal direct 1.0 internal . . 1 $entry_citation . . 1 $entry_citation 6196 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6196 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_Arath;CDC25C72S_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Arath;CDC25C72S_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6196 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond-1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6196 1 . . 2 $sample_2 . 6196 1 . . 3 $sample_3 . 6196 1 . . 4 $sample_4 . 6196 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 15 15 MET CA C 13 55.41 . . . . . . . 1 . . . 6196 1 2 . 1 1 15 15 MET CB C 13 32.65 . . . . . . . 1 . . . 6196 1 3 . 1 1 16 16 ALA H H 1 8.30 . . . . . . . 2 . . . 6196 1 4 . 1 1 16 16 ALA HA H 1 4.28 . . . . . . . 2 . . . 6196 1 5 . 1 1 16 16 ALA HB1 H 1 1.39 . . . . . . . 2 . . . 6196 1 6 . 1 1 16 16 ALA HB2 H 1 1.39 . . . . . . . 2 . . . 6196 1 7 . 1 1 16 16 ALA HB3 H 1 1.39 . . . . . . . 2 . . . 6196 1 8 . 1 1 16 16 ALA C C 13 174.9 . . . . . . . 2 . . . 6196 1 9 . 1 1 16 16 ALA CA C 13 52.48 . . . . . . . 2 . . . 6196 1 10 . 1 1 16 16 ALA CB C 13 19.13 . . . . . . . 2 . . . 6196 1 11 . 1 1 16 16 ALA N N 15 125.0 . . . . . . . 2 . . . 6196 1 12 . 1 1 17 17 MET H H 1 8.35 . . . . . . . 3 . . . 6196 1 13 . 1 1 17 17 MET HA H 1 4.44 . . . . . . . 3 . . . 6196 1 14 . 1 1 17 17 MET C C 13 173.3 . . . . . . . 3 . . . 6196 1 15 . 1 1 17 17 MET CA C 13 55.58 . . . . . . . 3 . . . 6196 1 16 . 1 1 17 17 MET CB C 13 32.97 . . . . . . . 3 . . . 6196 1 17 . 1 1 17 17 MET N N 15 119.5 . . . . . . . 3 . . . 6196 1 18 . 1 1 18 18 ALA H H 1 8.35 . . . . . . . 4 . . . 6196 1 19 . 1 1 18 18 ALA HA H 1 4.31 . . . . . . . 4 . . . 6196 1 20 . 1 1 18 18 ALA C C 13 174.7 . . . . . . . 4 . . . 6196 1 21 . 1 1 18 18 ALA CA C 13 52.40 . . . . . . . 4 . . . 6196 1 22 . 1 1 18 18 ALA CB C 13 19.17 . . . . . . . 4 . . . 6196 1 23 . 1 1 18 18 ALA N N 15 125.4 . . . . . . . 4 . . . 6196 1 24 . 1 1 19 19 ARG H H 1 8.48 . . . . . . . 5 . . . 6196 1 25 . 1 1 19 19 ARG HA H 1 4.40 . . . . . . . 5 . . . 6196 1 26 . 1 1 19 19 ARG C C 13 173.3 . . . . . . . 5 . . . 6196 1 27 . 1 1 19 19 ARG CA C 13 56.44 . . . . . . . 5 . . . 6196 1 28 . 1 1 19 19 ARG CB C 13 31.08 . . . . . . . 5 . . . 6196 1 29 . 1 1 19 19 ARG N N 15 120.2 . . . . . . . 5 . . . 6196 1 30 . 1 1 20 20 SER H H 1 8.26 . . . . . . . 6 . . . 6196 1 31 . 1 1 20 20 SER HA H 1 4.59 . . . . . . . 6 . . . 6196 1 32 . 1 1 20 20 SER HB2 H 1 3.87 . . . . . . . 6 . . . 6196 1 33 . 1 1 20 20 SER C C 13 174.9 . . . . . . . 6 . . . 6196 1 34 . 1 1 20 20 SER CA C 13 58.10 . . . . . . . 6 . . . 6196 1 35 . 1 1 20 20 SER CB C 13 64.71 . . . . . . . 6 . . . 6196 1 36 . 1 1 20 20 SER N N 15 116.4 . . . . . . . 6 . . . 6196 1 37 . 1 1 21 21 ILE H H 1 8.31 . . . . . . . 7 . . . 6196 1 38 . 1 1 21 21 ILE HA H 1 4.58 . . . . . . . 7 . . . 6196 1 39 . 1 1 21 21 ILE HB H 1 1.56 . . . . . . . 7 . . . 6196 1 40 . 1 1 21 21 ILE HD11 H 1 0.62 . . . . . . . 7 . . . 6196 1 41 . 1 1 21 21 ILE HD12 H 1 0.62 . . . . . . . 7 . . . 6196 1 42 . 1 1 21 21 ILE HD13 H 1 0.62 . . . . . . . 7 . . . 6196 1 43 . 1 1 21 21 ILE C C 13 176.9 . . . . . . . 7 . . . 6196 1 44 . 1 1 21 21 ILE CA C 13 61.70 . . . . . . . 7 . . . 6196 1 45 . 1 1 21 21 ILE N N 15 123.2 . . . . . . . 7 . . . 6196 1 46 . 1 1 22 22 SER H H 1 8.19 . . . . . . . 8 . . . 6196 1 47 . 1 1 22 22 SER HA H 1 4.90 . . . . . . . 8 . . . 6196 1 48 . 1 1 22 22 SER HB2 H 1 3.97 . . . . . . . 8 . . . 6196 1 49 . 1 1 22 22 SER C C 13 174.9 . . . . . . . 8 . . . 6196 1 50 . 1 1 22 22 SER CA C 13 57.50 . . . . . . . 8 . . . 6196 1 51 . 1 1 22 22 SER CB C 13 65.65 . . . . . . . 8 . . . 6196 1 52 . 1 1 22 22 SER N N 15 121.6 . . . . . . . 8 . . . 6196 1 53 . 1 1 23 23 TYR H H 1 8.93 . . . . . . . 9 . . . 6196 1 54 . 1 1 23 23 TYR HA H 1 5.46 . . . . . . . 9 . . . 6196 1 55 . 1 1 23 23 TYR HB2 H 1 2.98 . . . . . . . 9 . . . 6196 1 56 . 1 1 23 23 TYR HD1 H 1 7.10 . . . . . . . 9 . . . 6196 1 57 . 1 1 23 23 TYR C C 13 177.8 . . . . . . . 9 . . . 6196 1 58 . 1 1 23 23 TYR CA C 13 58.03 . . . . . . . 9 . . . 6196 1 59 . 1 1 23 23 TYR CB C 13 41.16 . . . . . . . 9 . . . 6196 1 60 . 1 1 23 23 TYR N N 15 119.5 . . . . . . . 9 . . . 6196 1 61 . 1 1 24 24 ILE H H 1 9.07 . . . . . . . 10 . . . 6196 1 62 . 1 1 24 24 ILE HA H 1 4.92 . . . . . . . 10 . . . 6196 1 63 . 1 1 24 24 ILE HB H 1 1.88 . . . . . . . 10 . . . 6196 1 64 . 1 1 24 24 ILE HD11 H 1 0.82 . . . . . . . 10 . . . 6196 1 65 . 1 1 24 24 ILE HD12 H 1 0.82 . . . . . . . 10 . . . 6196 1 66 . 1 1 24 24 ILE HD13 H 1 0.82 . . . . . . . 10 . . . 6196 1 67 . 1 1 24 24 ILE C C 13 175.3 . . . . . . . 10 . . . 6196 1 68 . 1 1 24 24 ILE CA C 13 59.54 . . . . . . . 10 . . . 6196 1 69 . 1 1 24 24 ILE CB C 13 42.37 . . . . . . . 10 . . . 6196 1 70 . 1 1 24 24 ILE N N 15 120.8 . . . . . . . 10 . . . 6196 1 71 . 1 1 25 25 THR H H 1 8.56 . . . . . . . 11 . . . 6196 1 72 . 1 1 25 25 THR HA H 1 4.93 . . . . . . . 11 . . . 6196 1 73 . 1 1 25 25 THR HB H 1 4.89 . . . . . . . 11 . . . 6196 1 74 . 1 1 25 25 THR HG21 H 1 1.36 . . . . . . . 11 . . . 6196 1 75 . 1 1 25 25 THR HG22 H 1 1.36 . . . . . . . 11 . . . 6196 1 76 . 1 1 25 25 THR HG23 H 1 1.36 . . . . . . . 11 . . . 6196 1 77 . 1 1 25 25 THR C C 13 176.8 . . . . . . . 11 . . . 6196 1 78 . 1 1 25 25 THR CA C 13 61.28 . . . . . . . 11 . . . 6196 1 79 . 1 1 25 25 THR CB C 13 71.54 . . . . . . . 11 . . . 6196 1 80 . 1 1 25 25 THR CG2 C 13 21.57 . . . . . . . 11 . . . 6196 1 81 . 1 1 25 25 THR N N 15 116.4 . . . . . . . 11 . . . 6196 1 82 . 1 1 26 26 SER H H 1 9.56 . . . . . . . 12 . . . 6196 1 83 . 1 1 26 26 SER C C 13 174.2 . . . . . . . 12 . . . 6196 1 84 . 1 1 26 26 SER CA C 13 64.54 . . . . . . . 12 . . . 6196 1 85 . 1 1 26 26 SER CB C 13 61.84 . . . . . . . 12 . . . 6196 1 86 . 1 1 26 26 SER N N 15 117.9 . . . . . . . 12 . . . 6196 1 87 . 1 1 27 27 THR H H 1 7.98 . . . . . . . 13 . . . 6196 1 88 . 1 1 27 27 THR HA H 1 4.05 . . . . . . . 13 . . . 6196 1 89 . 1 1 27 27 THR HB H 1 3.70 . . . . . . . 13 . . . 6196 1 90 . 1 1 27 27 THR HG21 H 1 1.20 . . . . . . . 13 . . . 6196 1 91 . 1 1 27 27 THR HG22 H 1 1.20 . . . . . . . 13 . . . 6196 1 92 . 1 1 27 27 THR HG23 H 1 1.20 . . . . . . . 13 . . . 6196 1 93 . 1 1 27 27 THR C C 13 174.3 . . . . . . . 13 . . . 6196 1 94 . 1 1 27 27 THR CA C 13 68.32 . . . . . . . 13 . . . 6196 1 95 . 1 1 27 27 THR CB C 13 66.95 . . . . . . . 13 . . . 6196 1 96 . 1 1 27 27 THR CG2 C 13 21.78 . . . . . . . 13 . . . 6196 1 97 . 1 1 27 27 THR N N 15 119.1 . . . . . . . 13 . . . 6196 1 98 . 1 1 28 28 GLN H H 1 7.62 . . . . . . . 14 . . . 6196 1 99 . 1 1 28 28 GLN HA H 1 4.08 . . . . . . . 14 . . . 6196 1 100 . 1 1 28 28 GLN HB2 H 1 1.94 . . . . . . . 14 . . . 6196 1 101 . 1 1 28 28 GLN HG2 H 1 2.43 . . . . . . . 14 . . . 6196 1 102 . 1 1 28 28 GLN C C 13 174.7 . . . . . . . 14 . . . 6196 1 103 . 1 1 28 28 GLN CA C 13 58.34 . . . . . . . 14 . . . 6196 1 104 . 1 1 28 28 GLN CB C 13 29.18 . . . . . . . 14 . . . 6196 1 105 . 1 1 28 28 GLN N N 15 119.7 . . . . . . . 14 . . . 6196 1 106 . 1 1 29 29 LEU H H 1 8.57 . . . . . . . 15 . . . 6196 1 107 . 1 1 29 29 LEU HA H 1 4.12 . . . . . . . 15 . . . 6196 1 108 . 1 1 29 29 LEU HB2 H 1 1.52 . . . . . . . 15 . . . 6196 1 109 . 1 1 29 29 LEU HD11 H 1 0.84 . . . . . . . 15 . . . 6196 1 110 . 1 1 29 29 LEU HD12 H 1 0.84 . . . . . . . 15 . . . 6196 1 111 . 1 1 29 29 LEU HD13 H 1 0.84 . . . . . . . 15 . . . 6196 1 112 . 1 1 29 29 LEU HD21 H 1 0.79 . . . . . . . 15 . . . 6196 1 113 . 1 1 29 29 LEU HD22 H 1 0.79 . . . . . . . 15 . . . 6196 1 114 . 1 1 29 29 LEU HD23 H 1 0.79 . . . . . . . 15 . . . 6196 1 115 . 1 1 29 29 LEU C C 13 172.6 . . . . . . . 15 . . . 6196 1 116 . 1 1 29 29 LEU CA C 13 61.28 . . . . . . . 15 . . . 6196 1 117 . 1 1 29 29 LEU CB C 13 42.23 . . . . . . . 15 . . . 6196 1 118 . 1 1 29 29 LEU N N 15 117.0 . . . . . . . 15 . . . 6196 1 119 . 1 1 30 30 LEU H H 1 8.13 . . . . . . . 16 . . . 6196 1 120 . 1 1 30 30 LEU HA H 1 4.51 . . . . . . . 16 . . . 6196 1 121 . 1 1 30 30 LEU CA C 13 62.00 . . . . . . . 16 . . . 6196 1 122 . 1 1 30 30 LEU N N 15 120.5 . . . . . . . 16 . . . 6196 1 123 . 1 1 31 31 PRO C C 13 173.5 . . . . . . . 17 . . . 6196 1 124 . 1 1 31 31 PRO CA C 13 66.89 . . . . . . . 17 . . . 6196 1 125 . 1 1 31 31 PRO CB C 13 31.13 . . . . . . . 17 . . . 6196 1 126 . 1 1 32 32 LEU H H 1 7.44 . . . . . . . 18 . . . 6196 1 127 . 1 1 32 32 LEU HA H 1 4.44 . . . . . . . 18 . . . 6196 1 128 . 1 1 32 32 LEU HB2 H 1 1.85 . . . . . . . 18 . . . 6196 1 129 . 1 1 32 32 LEU HG H 1 1.66 . . . . . . . 18 . . . 6196 1 130 . 1 1 32 32 LEU HD11 H 1 0.85 . . . . . . . 18 . . . 6196 1 131 . 1 1 32 32 LEU HD12 H 1 0.85 . . . . . . . 18 . . . 6196 1 132 . 1 1 32 32 LEU HD13 H 1 0.85 . . . . . . . 18 . . . 6196 1 133 . 1 1 32 32 LEU C C 13 171.0 . . . . . . . 18 . . . 6196 1 134 . 1 1 32 32 LEU CA C 13 55.17 . . . . . . . 18 . . . 6196 1 135 . 1 1 32 32 LEU N N 15 116.3 . . . . . . . 18 . . . 6196 1 136 . 1 1 33 33 HIS H H 1 7.84 . . . . . . . 19 . . . 6196 1 137 . 1 1 33 33 HIS HA H 1 4.06 . . . . . . . 19 . . . 6196 1 138 . 1 1 33 33 HIS HB2 H 1 3.15 . . . . . . . 19 . . . 6196 1 139 . 1 1 33 33 HIS HB3 H 1 3.35 . . . . . . . 19 . . . 6196 1 140 . 1 1 33 33 HIS HD1 H 1 6.92 . . . . . . . 19 . . . 6196 1 141 . 1 1 33 33 HIS C C 13 176.7 . . . . . . . 19 . . . 6196 1 142 . 1 1 33 33 HIS CA C 13 61.77 . . . . . . . 19 . . . 6196 1 143 . 1 1 33 33 HIS CB C 13 28.44 . . . . . . . 19 . . . 6196 1 144 . 1 1 33 33 HIS N N 15 113.9 . . . . . . . 19 . . . 6196 1 145 . 1 1 34 34 ARG H H 1 8.25 . . . . . . . 20 . . . 6196 1 146 . 1 1 34 34 ARG HA H 1 4.51 . . . . . . . 20 . . . 6196 1 147 . 1 1 34 34 ARG C C 13 173.9 . . . . . . . 20 . . . 6196 1 148 . 1 1 34 34 ARG CA C 13 53.20 . . . . . . . 20 . . . 6196 1 149 . 1 1 34 34 ARG CB C 13 28.01 . . . . . . . 20 . . . 6196 1 150 . 1 1 34 34 ARG N N 15 117.2 . . . . . . . 20 . . . 6196 1 151 . 1 1 35 35 ARG H H 1 7.88 . . . . . . . 21 . . . 6196 1 152 . 1 1 35 35 ARG HA H 1 4.43 . . . . . . . 21 . . . 6196 1 153 . 1 1 35 35 ARG C C 13 174.0 . . . . . . . 21 . . . 6196 1 154 . 1 1 35 35 ARG CA C 13 55.13 . . . . . . . 21 . . . 6196 1 155 . 1 1 35 35 ARG N N 15 122.8 . . . . . . . 21 . . . 6196 1 156 . 1 1 36 36 PRO C C 13 174.2 . . . . . . . 22 . . . 6196 1 157 . 1 1 37 37 ASN H H 1 8.34 . . . . . . . 23 . . . 6196 1 158 . 1 1 37 37 ASN HA H 1 4.45 . . . . . . . 23 . . . 6196 1 159 . 1 1 37 37 ASN HB2 H 1 2.09 . . . . . . . 23 . . . 6196 1 160 . 1 1 37 37 ASN HB3 H 1 2.58 . . . . . . . 23 . . . 6196 1 161 . 1 1 37 37 ASN C C 13 177.4 . . . . . . . 23 . . . 6196 1 162 . 1 1 37 37 ASN CA C 13 54.29 . . . . . . . 23 . . . 6196 1 163 . 1 1 37 37 ASN CB C 13 37.43 . . . . . . . 23 . . . 6196 1 164 . 1 1 37 37 ASN ND2 N 15 111.4 . . . . . . . 23 . . . 6196 1 165 . 1 1 38 38 ILE H H 1 7.38 . . . . . . . 24 . . . 6196 1 166 . 1 1 38 38 ILE HA H 1 4.99 . . . . . . . 24 . . . 6196 1 167 . 1 1 38 38 ILE HB H 1 1.75 . . . . . . . 24 . . . 6196 1 168 . 1 1 38 38 ILE HG12 H 1 1.03 . . . . . . . 24 . . . 6196 1 169 . 1 1 38 38 ILE HG13 H 1 1.57 . . . . . . . 24 . . . 6196 1 170 . 1 1 38 38 ILE HG21 H 1 0.72 . . . . . . . 24 . . . 6196 1 171 . 1 1 38 38 ILE HG22 H 1 0.72 . . . . . . . 24 . . . 6196 1 172 . 1 1 38 38 ILE HG23 H 1 0.72 . . . . . . . 24 . . . 6196 1 173 . 1 1 38 38 ILE HD11 H 1 0.80 . . . . . . . 24 . . . 6196 1 174 . 1 1 38 38 ILE HD12 H 1 0.80 . . . . . . . 24 . . . 6196 1 175 . 1 1 38 38 ILE HD13 H 1 0.80 . . . . . . . 24 . . . 6196 1 176 . 1 1 38 38 ILE C C 13 175.5 . . . . . . . 24 . . . 6196 1 177 . 1 1 38 38 ILE CA C 13 59.71 . . . . . . . 24 . . . 6196 1 178 . 1 1 38 38 ILE CB C 13 40.19 . . . . . . . 24 . . . 6196 1 179 . 1 1 38 38 ILE CG1 C 13 27.94 . . . . . . . 24 . . . 6196 1 180 . 1 1 38 38 ILE CG2 C 13 16.86 . . . . . . . 24 . . . 6196 1 181 . 1 1 38 38 ILE CD1 C 13 13.60 . . . . . . . 24 . . . 6196 1 182 . 1 1 38 38 ILE N N 15 120.3 . . . . . . . 24 . . . 6196 1 183 . 1 1 39 39 ALA H H 1 8.57 . . . . . . . 25 . . . 6196 1 184 . 1 1 39 39 ALA HA H 1 4.92 . . . . . . . 25 . . . 6196 1 185 . 1 1 39 39 ALA HB1 H 1 1.18 . . . . . . . 25 . . . 6196 1 186 . 1 1 39 39 ALA HB2 H 1 1.18 . . . . . . . 25 . . . 6196 1 187 . 1 1 39 39 ALA HB3 H 1 1.18 . . . . . . . 25 . . . 6196 1 188 . 1 1 39 39 ALA C C 13 175.5 . . . . . . . 25 . . . 6196 1 189 . 1 1 39 39 ALA CA C 13 49.64 . . . . . . . 25 . . . 6196 1 190 . 1 1 39 39 ALA CB C 13 22.19 . . . . . . . 25 . . . 6196 1 191 . 1 1 39 39 ALA N N 15 127.2 . . . . . . . 25 . . . 6196 1 192 . 1 1 40 40 ILE H H 1 9.10 . . . . . . . 26 . . . 6196 1 193 . 1 1 40 40 ILE HA H 1 4.67 . . . . . . . 26 . . . 6196 1 194 . 1 1 40 40 ILE HB H 1 1.60 . . . . . . . 26 . . . 6196 1 195 . 1 1 40 40 ILE HG21 H 1 0.64 . . . . . . . 26 . . . 6196 1 196 . 1 1 40 40 ILE HG22 H 1 0.64 . . . . . . . 26 . . . 6196 1 197 . 1 1 40 40 ILE HG23 H 1 0.64 . . . . . . . 26 . . . 6196 1 198 . 1 1 40 40 ILE HD11 H 1 0.74 . . . . . . . 26 . . . 6196 1 199 . 1 1 40 40 ILE HD12 H 1 0.74 . . . . . . . 26 . . . 6196 1 200 . 1 1 40 40 ILE HD13 H 1 0.74 . . . . . . . 26 . . . 6196 1 201 . 1 1 40 40 ILE C C 13 176.8 . . . . . . . 26 . . . 6196 1 202 . 1 1 40 40 ILE CA C 13 60.04 . . . . . . . 26 . . . 6196 1 203 . 1 1 40 40 ILE CB C 13 38.14 . . . . . . . 26 . . . 6196 1 204 . 1 1 40 40 ILE N N 15 123.8 . . . . . . . 26 . . . 6196 1 205 . 1 1 41 41 ILE H H 1 9.3 . . . . . . . 27 . . . 6196 1 206 . 1 1 41 41 ILE HA H 1 4.26 . . . . . . . 27 . . . 6196 1 207 . 1 1 41 41 ILE C C 13 177.7 . . . . . . . 27 . . . 6196 1 208 . 1 1 41 41 ILE CA C 13 59.12 . . . . . . . 27 . . . 6196 1 209 . 1 1 41 41 ILE CB C 13 35.84 . . . . . . . 27 . . . 6196 1 210 . 1 1 41 41 ILE N N 15 128.9 . . . . . . . 27 . . . 6196 1 211 . 1 1 42 42 ASP H H 1 8.90 . . . . . . . 28 . . . 6196 1 212 . 1 1 42 42 ASP HB2 H 1 3.09 . . . . . . . 28 . . . 6196 1 213 . 1 1 42 42 ASP C C 13 174.2 . . . . . . . 28 . . . 6196 1 214 . 1 1 42 42 ASP CA C 13 51.23 . . . . . . . 28 . . . 6196 1 215 . 1 1 42 42 ASP CB C 13 42.27 . . . . . . . 28 . . . 6196 1 216 . 1 1 42 42 ASP N N 15 127.8 . . . . . . . 28 . . . 6196 1 217 . 1 1 43 43 VAL H H 1 8.04 . . . . . . . 29 . . . 6196 1 218 . 1 1 43 43 VAL HA H 1 5.42 . . . . . . . 29 . . . 6196 1 219 . 1 1 43 43 VAL HB H 1 2.64 . . . . . . . 29 . . . 6196 1 220 . 1 1 43 43 VAL HG11 H 1 1.09 . . . . . . . 29 . . . 6196 1 221 . 1 1 43 43 VAL HG12 H 1 1.09 . . . . . . . 29 . . . 6196 1 222 . 1 1 43 43 VAL HG13 H 1 1.09 . . . . . . . 29 . . . 6196 1 223 . 1 1 43 43 VAL HG21 H 1 0.69 . . . . . . . 29 . . . 6196 1 224 . 1 1 43 43 VAL HG22 H 1 0.69 . . . . . . . 29 . . . 6196 1 225 . 1 1 43 43 VAL HG23 H 1 0.69 . . . . . . . 29 . . . 6196 1 226 . 1 1 43 43 VAL C C 13 172.2 . . . . . . . 29 . . . 6196 1 227 . 1 1 43 43 VAL CA C 13 59.70 . . . . . . . 29 . . . 6196 1 228 . 1 1 43 43 VAL CB C 13 30.65 . . . . . . . 29 . . . 6196 1 229 . 1 1 43 43 VAL CG1 C 13 22.00 . . . . . . . 29 . . . 6196 1 230 . 1 1 43 43 VAL N N 15 116.7 . . . . . . . 29 . . . 6196 1 231 . 1 1 44 44 ARG H H 1 7.86 . . . . . . . 30 . . . 6196 1 232 . 1 1 44 44 ARG HA H 1 4.20 . . . . . . . 30 . . . 6196 1 233 . 1 1 44 44 ARG HB2 H 1 1.85 . . . . . . . 30 . . . 6196 1 234 . 1 1 44 44 ARG C C 13 176.5 . . . . . . . 30 . . . 6196 1 235 . 1 1 44 44 ARG CA C 13 57.59 . . . . . . . 30 . . . 6196 1 236 . 1 1 44 44 ARG CB C 13 33.32 . . . . . . . 30 . . . 6196 1 237 . 1 1 44 44 ARG N N 15 118.0 . . . . . . . 30 . . . 6196 1 238 . 1 1 45 45 ASP H H 1 7.65 . . . . . . . 31 . . . 6196 1 239 . 1 1 45 45 ASP HA H 1 5.20 . . . . . . . 31 . . . 6196 1 240 . 1 1 45 45 ASP HB2 H 1 2.67 . . . . . . . 31 . . . 6196 1 241 . 1 1 45 45 ASP HB3 H 1 2.87 . . . . . . . 31 . . . 6196 1 242 . 1 1 45 45 ASP C C 13 174.5 . . . . . . . 31 . . . 6196 1 243 . 1 1 45 45 ASP CA C 13 54.21 . . . . . . . 31 . . . 6196 1 244 . 1 1 45 45 ASP CB C 13 42.76 . . . . . . . 31 . . . 6196 1 245 . 1 1 45 45 ASP N N 15 121.9 . . . . . . . 31 . . . 6196 1 246 . 1 1 46 46 GLU H H 1 8.98 . . . . . . . 32 . . . 6196 1 247 . 1 1 46 46 GLU C C 13 173.8 . . . . . . . 32 . . . 6196 1 248 . 1 1 46 46 GLU CA C 13 59.62 . . . . . . . 32 . . . 6196 1 249 . 1 1 46 46 GLU CB C 13 28.79 . . . . . . . 32 . . . 6196 1 250 . 1 1 46 46 GLU N N 15 123.0 . . . . . . . 32 . . . 6196 1 251 . 1 1 47 47 GLU H H 1 9.87 . . . . . . . 33 . . . 6196 1 252 . 1 1 47 47 GLU HA H 1 4.05 . . . . . . . 33 . . . 6196 1 253 . 1 1 47 47 GLU C C 13 172.8 . . . . . . . 33 . . . 6196 1 254 . 1 1 47 47 GLU CA C 13 60.23 . . . . . . . 33 . . . 6196 1 255 . 1 1 47 47 GLU N N 15 117.9 . . . . . . . 33 . . . 6196 1 256 . 1 1 48 48 ARG H H 1 6.91 . . . . . . . 34 . . . 6196 1 257 . 1 1 48 48 ARG HA H 1 3.58 . . . . . . . 34 . . . 6196 1 258 . 1 1 48 48 ARG C C 13 172.8 . . . . . . . 34 . . . 6196 1 259 . 1 1 48 48 ARG CA C 13 56.94 . . . . . . . 34 . . . 6196 1 260 . 1 1 48 48 ARG CB C 13 29.54 . . . . . . . 34 . . . 6196 1 261 . 1 1 48 48 ARG N N 15 114.7 . . . . . . . 34 . . . 6196 1 262 . 1 1 49 49 ASN H H 1 7.80 . . . . . . . 35 . . . 6196 1 263 . 1 1 49 49 ASN HA H 1 4.42 . . . . . . . 35 . . . 6196 1 264 . 1 1 49 49 ASN HB2 H 1 2.67 . . . . . . . 35 . . . 6196 1 265 . 1 1 49 49 ASN C C 13 175.3 . . . . . . . 35 . . . 6196 1 266 . 1 1 49 49 ASN CA C 13 54.73 . . . . . . . 35 . . . 6196 1 267 . 1 1 49 49 ASN CB C 13 38.53 . . . . . . . 35 . . . 6196 1 268 . 1 1 49 49 ASN N N 15 113.9 . . . . . . . 35 . . . 6196 1 269 . 1 1 50 50 TYR H H 1 6.79 . . . . . . . 36 . . . 6196 1 270 . 1 1 50 50 TYR HA H 1 5.00 . . . . . . . 36 . . . 6196 1 271 . 1 1 50 50 TYR HB2 H 1 3.02 . . . . . . . 36 . . . 6196 1 272 . 1 1 50 50 TYR C C 13 174.5 . . . . . . . 36 . . . 6196 1 273 . 1 1 50 50 TYR CA C 13 58.41 . . . . . . . 36 . . . 6196 1 274 . 1 1 50 50 TYR N N 15 113.8 . . . . . . . 36 . . . 6196 1 275 . 1 1 51 51 ASP H H 1 8.40 . . . . . . . 37 . . . 6196 1 276 . 1 1 51 51 ASP HA H 1 3.99 . . . . . . . 37 . . . 6196 1 277 . 1 1 51 51 ASP HB2 H 1 2.67 . . . . . . . 37 . . . 6196 1 278 . 1 1 51 51 ASP C C 13 174.1 . . . . . . . 37 . . . 6196 1 279 . 1 1 51 51 ASP CA C 13 54.88 . . . . . . . 37 . . . 6196 1 280 . 1 1 51 51 ASP N N 15 121.9 . . . . . . . 37 . . . 6196 1 281 . 1 1 52 52 GLY H H 1 7.95 . . . . . . . 38 . . . 6196 1 282 . 1 1 52 52 GLY HA2 H 1 3.89 . . . . . . . 38 . . . 6196 1 283 . 1 1 52 52 GLY CA C 13 42.59 . . . . . . . 38 . . . 6196 1 284 . 1 1 52 52 GLY N N 15 104.51 . . . . . . . 38 . . . 6196 1 285 . 1 1 53 53 HIS H H 1 8.59 . . . . . . . 39 . . . 6196 1 286 . 1 1 53 53 HIS HA H 1 4.29 . . . . . . . 39 . . . 6196 1 287 . 1 1 53 53 HIS HB2 H 1 2.92 . . . . . . . 39 . . . 6196 1 288 . 1 1 53 53 HIS C C 13 177.8 . . . . . . . 39 . . . 6196 1 289 . 1 1 53 53 HIS CA C 13 55.48 . . . . . . . 39 . . . 6196 1 290 . 1 1 53 53 HIS CB C 13 31.10 . . . . . . . 39 . . . 6196 1 291 . 1 1 53 53 HIS N N 15 112.3 . . . . . . . 39 . . . 6196 1 292 . 1 1 54 54 ILE H H 1 9.85 . . . . . . . 40 . . . 6196 1 293 . 1 1 54 54 ILE HA H 1 3.82 . . . . . . . 40 . . . 6196 1 294 . 1 1 54 54 ILE HB H 1 1.49 . . . . . . . 40 . . . 6196 1 295 . 1 1 54 54 ILE HG12 H 1 0.88 . . . . . . . 40 . . . 6196 1 296 . 1 1 54 54 ILE HG13 H 1 1.06 . . . . . . . 40 . . . 6196 1 297 . 1 1 54 54 ILE HG21 H 1 0.55 . . . . . . . 40 . . . 6196 1 298 . 1 1 54 54 ILE HG22 H 1 0.55 . . . . . . . 40 . . . 6196 1 299 . 1 1 54 54 ILE HG23 H 1 0.55 . . . . . . . 40 . . . 6196 1 300 . 1 1 54 54 ILE HD11 H 1 -0.60 . . . . . . . 40 . . . 6196 1 301 . 1 1 54 54 ILE HD12 H 1 -0.60 . . . . . . . 40 . . . 6196 1 302 . 1 1 54 54 ILE HD13 H 1 -0.60 . . . . . . . 40 . . . 6196 1 303 . 1 1 54 54 ILE C C 13 173.9 . . . . . . . 40 . . . 6196 1 304 . 1 1 54 54 ILE CA C 13 63.39 . . . . . . . 40 . . . 6196 1 305 . 1 1 54 54 ILE CB C 13 37.99 . . . . . . . 40 . . . 6196 1 306 . 1 1 54 54 ILE CG2 C 13 16.65 . . . . . . . 40 . . . 6196 1 307 . 1 1 54 54 ILE CD1 C 13 11.99 . . . . . . . 40 . . . 6196 1 308 . 1 1 54 54 ILE N N 15 121.3 . . . . . . . 40 . . . 6196 1 309 . 1 1 55 55 ALA H H 1 9.85 . . . . . . . 41 . . . 6196 1 310 . 1 1 55 55 ALA HA H 1 4.62 . . . . . . . 41 . . . 6196 1 311 . 1 1 55 55 ALA HB1 H 1 1.49 . . . . . . . 41 . . . 6196 1 312 . 1 1 55 55 ALA HB2 H 1 1.49 . . . . . . . 41 . . . 6196 1 313 . 1 1 55 55 ALA HB3 H 1 1.49 . . . . . . . 41 . . . 6196 1 314 . 1 1 55 55 ALA C C 13 173.2 . . . . . . . 41 . . . 6196 1 315 . 1 1 55 55 ALA CA C 13 53.78 . . . . . . . 41 . . . 6196 1 316 . 1 1 55 55 ALA CB C 13 19.09 . . . . . . . 41 . . . 6196 1 317 . 1 1 55 55 ALA N N 15 135.4 . . . . . . . 41 . . . 6196 1 318 . 1 1 56 56 GLY H H 1 9.87 . . . . . . . 42 . . . 6196 1 319 . 1 1 56 56 GLY HA2 H 1 3.78 . . . . . . . 42 . . . 6196 1 320 . 1 1 56 56 GLY HA3 H 1 4.2 . . . . . . . 42 . . . 6196 1 321 . 1 1 56 56 GLY C C 13 175.6 . . . . . . . 42 . . . 6196 1 322 . 1 1 56 56 GLY CA C 13 43.87 . . . . . . . 42 . . . 6196 1 323 . 1 1 56 56 GLY N N 15 112.6 . . . . . . . 42 . . . 6196 1 324 . 1 1 57 57 SER H H 1 8.26 . . . . . . . 43 . . . 6196 1 325 . 1 1 57 57 SER HA H 1 4.58 . . . . . . . 43 . . . 6196 1 326 . 1 1 57 57 SER HB2 H 1 3.87 . . . . . . . 43 . . . 6196 1 327 . 1 1 57 57 SER C C 13 176.7 . . . . . . . 43 . . . 6196 1 328 . 1 1 57 57 SER CA C 13 58.90 . . . . . . . 43 . . . 6196 1 329 . 1 1 57 57 SER CB C 13 64.91 . . . . . . . 43 . . . 6196 1 330 . 1 1 57 57 SER N N 15 115.0 . . . . . . . 43 . . . 6196 1 331 . 1 1 58 58 LEU H H 1 9.15 . . . . . . . 44 . . . 6196 1 332 . 1 1 58 58 LEU HA H 1 4.56 . . . . . . . 44 . . . 6196 1 333 . 1 1 58 58 LEU HB2 H 1 1.62 . . . . . . . 44 . . . 6196 1 334 . 1 1 58 58 LEU HB3 H 1 1.87 . . . . . . . 44 . . . 6196 1 335 . 1 1 58 58 LEU HD11 H 1 0.90 . . . . . . . 44 . . . 6196 1 336 . 1 1 58 58 LEU HD12 H 1 0.90 . . . . . . . 44 . . . 6196 1 337 . 1 1 58 58 LEU HD13 H 1 0.90 . . . . . . . 44 . . . 6196 1 338 . 1 1 58 58 LEU HD21 H 1 0.38 . . . . . . . 44 . . . 6196 1 339 . 1 1 58 58 LEU HD22 H 1 0.38 . . . . . . . 44 . . . 6196 1 340 . 1 1 58 58 LEU HD23 H 1 0.38 . . . . . . . 44 . . . 6196 1 341 . 1 1 58 58 LEU C C 13 175.0 . . . . . . . 44 . . . 6196 1 342 . 1 1 58 58 LEU CA C 13 54.04 . . . . . . . 44 . . . 6196 1 343 . 1 1 58 58 LEU CB C 13 43.35 . . . . . . . 44 . . . 6196 1 344 . 1 1 58 58 LEU N N 15 122.8 . . . . . . . 44 . . . 6196 1 345 . 1 1 59 59 HIS H H 1 8.74 . . . . . . . 45 . . . 6196 1 346 . 1 1 59 59 HIS HA H 1 5.47 . . . . . . . 45 . . . 6196 1 347 . 1 1 59 59 HIS HB2 H 1 2.33 . . . . . . . 45 . . . 6196 1 348 . 1 1 59 59 HIS HB3 H 1 3.04 . . . . . . . 45 . . . 6196 1 349 . 1 1 59 59 HIS HD1 H 1 6.72 . . . . . . . 45 . . . 6196 1 350 . 1 1 59 59 HIS C C 13 176.5 . . . . . . . 45 . . . 6196 1 351 . 1 1 59 59 HIS CA C 13 54.00 . . . . . . . 45 . . . 6196 1 352 . 1 1 59 59 HIS CB C 13 32.62 . . . . . . . 45 . . . 6196 1 353 . 1 1 59 59 HIS N N 15 122.9 . . . . . . . 45 . . . 6196 1 354 . 1 1 60 60 TYR H H 1 8.37 . . . . . . . 46 . . . 6196 1 355 . 1 1 60 60 TYR HA H 1 4.05 . . . . . . . 46 . . . 6196 1 356 . 1 1 60 60 TYR HB2 H 1 2.45 . . . . . . . 46 . . . 6196 1 357 . 1 1 60 60 TYR HB3 H 1 2.82 . . . . . . . 46 . . . 6196 1 358 . 1 1 60 60 TYR HD1 H 1 6.73 . . . . . . . 46 . . . 6196 1 359 . 1 1 60 60 TYR C C 13 177.2 . . . . . . . 46 . . . 6196 1 360 . 1 1 60 60 TYR CA C 13 57.60 . . . . . . . 46 . . . 6196 1 361 . 1 1 60 60 TYR CB C 13 39.71 . . . . . . . 46 . . . 6196 1 362 . 1 1 60 60 TYR N N 15 132.3 . . . . . . . 46 . . . 6196 1 363 . 1 1 61 61 ALA H H 1 7.19 . . . . . . . 47 . . . 6196 1 364 . 1 1 61 61 ALA HA H 1 4.06 . . . . . . . 47 . . . 6196 1 365 . 1 1 61 61 ALA HB1 H 1 1.27 . . . . . . . 47 . . . 6196 1 366 . 1 1 61 61 ALA HB2 H 1 1.27 . . . . . . . 47 . . . 6196 1 367 . 1 1 61 61 ALA HB3 H 1 1.27 . . . . . . . 47 . . . 6196 1 368 . 1 1 61 61 ALA C C 13 170.5 . . . . . . . 47 . . . 6196 1 369 . 1 1 61 61 ALA CA C 13 52.25 . . . . . . . 47 . . . 6196 1 370 . 1 1 61 61 ALA CB C 13 19.22 . . . . . . . 47 . . . 6196 1 371 . 1 1 61 61 ALA N N 15 121.3 . . . . . . . 47 . . . 6196 1 372 . 1 1 62 62 SER H H 1 7.88 . . . . . . . 48 . . . 6196 1 373 . 1 1 62 62 SER HA H 1 4.09 . . . . . . . 48 . . . 6196 1 374 . 1 1 62 62 SER C C 13 170.6 . . . . . . . 48 . . . 6196 1 375 . 1 1 62 62 SER CA C 13 62.77 . . . . . . . 48 . . . 6196 1 376 . 1 1 62 62 SER N N 15 119.1 . . . . . . . 48 . . . 6196 1 377 . 1 1 63 63 GLY H H 1 9.92 . . . . . . . 49 . . . 6196 1 378 . 1 1 63 63 GLY HA2 H 1 3.85 . . . . . . . 49 . . . 6196 1 379 . 1 1 63 63 GLY HA3 H 1 3.97 . . . . . . . 49 . . . 6196 1 380 . 1 1 63 63 GLY C C 13 175.8 . . . . . . . 49 . . . 6196 1 381 . 1 1 63 63 GLY CA C 13 46.11 . . . . . . . 49 . . . 6196 1 382 . 1 1 63 63 GLY N N 15 110.8 . . . . . . . 49 . . . 6196 1 383 . 1 1 64 64 SER H H 1 7.44 . . . . . . . 50 . . . 6196 1 384 . 1 1 64 64 SER HA H 1 4.99 . . . . . . . 50 . . . 6196 1 385 . 1 1 64 64 SER HB2 H 1 4.05 . . . . . . . 50 . . . 6196 1 386 . 1 1 64 64 SER HB3 H 1 3.78 . . . . . . . 50 . . . 6196 1 387 . 1 1 64 64 SER C C 13 175.9 . . . . . . . 50 . . . 6196 1 388 . 1 1 64 64 SER CA C 13 56.96 . . . . . . . 50 . . . 6196 1 389 . 1 1 64 64 SER CB C 13 63.95 . . . . . . . 50 . . . 6196 1 390 . 1 1 64 64 SER N N 15 111.3 . . . . . . . 50 . . . 6196 1 391 . 1 1 65 65 PHE H H 1 7.65 . . . . . . . 51 . . . 6196 1 392 . 1 1 65 65 PHE HA H 1 3.87 . . . . . . . 51 . . . 6196 1 393 . 1 1 65 65 PHE HB2 H 1 3.01 . . . . . . . 51 . . . 6196 1 394 . 1 1 65 65 PHE HB3 H 1 3.44 . . . . . . . 51 . . . 6196 1 395 . 1 1 65 65 PHE HD1 H 1 7.43 . . . . . . . 51 . . . 6196 1 396 . 1 1 65 65 PHE HE1 H 1 7.57 . . . . . . . 51 . . . 6196 1 397 . 1 1 65 65 PHE C C 13 173.8 . . . . . . . 51 . . . 6196 1 398 . 1 1 65 65 PHE CA C 13 64.16 . . . . . . . 51 . . . 6196 1 399 . 1 1 65 65 PHE CB C 13 40.94 . . . . . . . 51 . . . 6196 1 400 . 1 1 65 65 PHE N N 15 124.8 . . . . . . . 51 . . . 6196 1 401 . 1 1 66 66 ASP H H 1 8.60 . . . . . . . 52 . . . 6196 1 402 . 1 1 66 66 ASP HA H 1 4.23 . . . . . . . 52 . . . 6196 1 403 . 1 1 66 66 ASP HB2 H 1 2.60 . . . . . . . 52 . . . 6196 1 404 . 1 1 66 66 ASP HB3 H 1 2.70 . . . . . . . 52 . . . 6196 1 405 . 1 1 66 66 ASP C C 13 172.6 . . . . . . . 52 . . . 6196 1 406 . 1 1 66 66 ASP CA C 13 57.92 . . . . . . . 52 . . . 6196 1 407 . 1 1 66 66 ASP CB C 13 40.28 . . . . . . . 52 . . . 6196 1 408 . 1 1 66 66 ASP N N 15 112.3 . . . . . . . 52 . . . 6196 1 409 . 1 1 67 67 ASP H H 1 7.74 . . . . . . . 53 . . . 6196 1 410 . 1 1 67 67 ASP HA H 1 4.52 . . . . . . . 53 . . . 6196 1 411 . 1 1 67 67 ASP HB2 H 1 2.70 . . . . . . . 53 . . . 6196 1 412 . 1 1 67 67 ASP C C 13 173.1 . . . . . . . 53 . . . 6196 1 413 . 1 1 67 67 ASP CA C 13 56.24 . . . . . . . 53 . . . 6196 1 414 . 1 1 67 67 ASP CB C 13 41.37 . . . . . . . 53 . . . 6196 1 415 . 1 1 67 67 ASP N N 15 116.9 . . . . . . . 53 . . . 6196 1 416 . 1 1 68 68 LYS H H 1 7.58 . . . . . . . 54 . . . 6196 1 417 . 1 1 68 68 LYS HA H 1 4.58 . . . . . . . 54 . . . 6196 1 418 . 1 1 68 68 LYS HB3 H 1 2.18 . . . . . . . 54 . . . 6196 1 419 . 1 1 68 68 LYS HG2 H 1 1.34 . . . . . . . 54 . . . 6196 1 420 . 1 1 68 68 LYS HG3 H 1 1.52 . . . . . . . 54 . . . 6196 1 421 . 1 1 68 68 LYS HD2 H 1 1.73 . . . . . . . 54 . . . 6196 1 422 . 1 1 68 68 LYS C C 13 174.1 . . . . . . . 54 . . . 6196 1 423 . 1 1 68 68 LYS CA C 13 55.10 . . . . . . . 54 . . . 6196 1 424 . 1 1 68 68 LYS CB C 13 33.50 . . . . . . . 54 . . . 6196 1 425 . 1 1 68 68 LYS N N 15 117.1 . . . . . . . 54 . . . 6196 1 426 . 1 1 69 69 ILE H H 1 7.05 . . . . . . . 55 . . . 6196 1 427 . 1 1 69 69 ILE HA H 1 3.07 . . . . . . . 55 . . . 6196 1 428 . 1 1 69 69 ILE HB H 1 1.26 . . . . . . . 55 . . . 6196 1 429 . 1 1 69 69 ILE HG12 H 1 1.11 . . . . . . . 55 . . . 6196 1 430 . 1 1 69 69 ILE HG13 H 1 0.95 . . . . . . . 55 . . . 6196 1 431 . 1 1 69 69 ILE HG21 H 1 0.15 . . . . . . . 55 . . . 6196 1 432 . 1 1 69 69 ILE HG22 H 1 0.15 . . . . . . . 55 . . . 6196 1 433 . 1 1 69 69 ILE HG23 H 1 0.15 . . . . . . . 55 . . . 6196 1 434 . 1 1 69 69 ILE HD11 H 1 0.65 . . . . . . . 55 . . . 6196 1 435 . 1 1 69 69 ILE HD12 H 1 0.65 . . . . . . . 55 . . . 6196 1 436 . 1 1 69 69 ILE HD13 H 1 0.65 . . . . . . . 55 . . . 6196 1 437 . 1 1 69 69 ILE C C 13 174.8 . . . . . . . 55 . . . 6196 1 438 . 1 1 69 69 ILE CA C 13 67.16 . . . . . . . 55 . . . 6196 1 439 . 1 1 69 69 ILE CB C 13 37.58 . . . . . . . 55 . . . 6196 1 440 . 1 1 69 69 ILE CG1 C 13 28.11 . . . . . . . 55 . . . 6196 1 441 . 1 1 69 69 ILE CG2 C 13 16.45 . . . . . . . 55 . . . 6196 1 442 . 1 1 69 69 ILE CD1 C 13 15.00 . . . . . . . 55 . . . 6196 1 443 . 1 1 69 69 ILE N N 15 122.5 . . . . . . . 55 . . . 6196 1 444 . 1 1 70 70 SER H H 1 8.23 . . . . . . . 56 . . . 6196 1 445 . 1 1 70 70 SER HA H 1 3.90 . . . . . . . 56 . . . 6196 1 446 . 1 1 70 70 SER C C 13 174.8 . . . . . . . 56 . . . 6196 1 447 . 1 1 70 70 SER CA C 13 62.16 . . . . . . . 56 . . . 6196 1 448 . 1 1 70 70 SER N N 15 114.4 . . . . . . . 56 . . . 6196 1 449 . 1 1 71 71 HIS H H 1 7.44 . . . . . . . 57 . . . 6196 1 450 . 1 1 71 71 HIS HA H 1 4.10 . . . . . . . 57 . . . 6196 1 451 . 1 1 71 71 HIS HB2 H 1 3.24 . . . . . . . 57 . . . 6196 1 452 . 1 1 71 71 HIS HB3 H 1 3.39 . . . . . . . 57 . . . 6196 1 453 . 1 1 71 71 HIS HD1 H 1 7.11 . . . . . . . 57 . . . 6196 1 454 . 1 1 71 71 HIS HD2 H 1 6.73 . . . . . . . 57 . . . 6196 1 455 . 1 1 71 71 HIS C C 13 173.0 . . . . . . . 57 . . . 6196 1 456 . 1 1 71 71 HIS CA C 13 61.01 . . . . . . . 57 . . . 6196 1 457 . 1 1 71 71 HIS CB C 13 30.67 . . . . . . . 57 . . . 6196 1 458 . 1 1 71 71 HIS N N 15 124.3 . . . . . . . 57 . . . 6196 1 459 . 1 1 72 72 LEU H H 1 8.05 . . . . . . . 58 . . . 6196 1 460 . 1 1 72 72 LEU HA H 1 3.90 . . . . . . . 58 . . . 6196 1 461 . 1 1 72 72 LEU HB2 H 1 1.61 . . . . . . . 58 . . . 6196 1 462 . 1 1 72 72 LEU HB3 H 1 0.41 . . . . . . . 58 . . . 6196 1 463 . 1 1 72 72 LEU HD11 H 1 0.91 . . . . . . . 58 . . . 6196 1 464 . 1 1 72 72 LEU HD12 H 1 0.91 . . . . . . . 58 . . . 6196 1 465 . 1 1 72 72 LEU HD13 H 1 0.91 . . . . . . . 58 . . . 6196 1 466 . 1 1 72 72 LEU HD21 H 1 0.57 . . . . . . . 58 . . . 6196 1 467 . 1 1 72 72 LEU HD22 H 1 0.57 . . . . . . . 58 . . . 6196 1 468 . 1 1 72 72 LEU HD23 H 1 0.57 . . . . . . . 58 . . . 6196 1 469 . 1 1 72 72 LEU C C 13 172.6 . . . . . . . 58 . . . 6196 1 470 . 1 1 72 72 LEU CA C 13 59.36 . . . . . . . 58 . . . 6196 1 471 . 1 1 72 72 LEU CB C 13 40.49 . . . . . . . 58 . . . 6196 1 472 . 1 1 72 72 LEU N N 15 122.3 . . . . . . . 58 . . . 6196 1 473 . 1 1 73 73 VAL H H 1 7.99 . . . . . . . 59 . . . 6196 1 474 . 1 1 73 73 VAL HA H 1 3.25 . . . . . . . 59 . . . 6196 1 475 . 1 1 73 73 VAL HB H 1 2.05 . . . . . . . 59 . . . 6196 1 476 . 1 1 73 73 VAL HG11 H 1 0.90 . . . . . . . 59 . . . 6196 1 477 . 1 1 73 73 VAL HG12 H 1 0.90 . . . . . . . 59 . . . 6196 1 478 . 1 1 73 73 VAL HG13 H 1 0.90 . . . . . . . 59 . . . 6196 1 479 . 1 1 73 73 VAL HG21 H 1 0.62 . . . . . . . 59 . . . 6196 1 480 . 1 1 73 73 VAL HG22 H 1 0.62 . . . . . . . 59 . . . 6196 1 481 . 1 1 73 73 VAL HG23 H 1 0.62 . . . . . . . 59 . . . 6196 1 482 . 1 1 73 73 VAL C C 13 173.0 . . . . . . . 59 . . . 6196 1 483 . 1 1 73 73 VAL CA C 13 68.69 . . . . . . . 59 . . . 6196 1 484 . 1 1 73 73 VAL CB C 13 31.40 . . . . . . . 59 . . . 6196 1 485 . 1 1 73 73 VAL CG1 C 13 24.29 . . . . . . . 59 . . . 6196 1 486 . 1 1 73 73 VAL N N 15 116.1 . . . . . . . 59 . . . 6196 1 487 . 1 1 74 74 GLN H H 1 7.52 . . . . . . . 60 . . . 6196 1 488 . 1 1 74 74 GLN HA H 1 4.01 . . . . . . . 60 . . . 6196 1 489 . 1 1 74 74 GLN HB2 H 1 2.05 . . . . . . . 60 . . . 6196 1 490 . 1 1 74 74 GLN HG2 H 1 2.41 . . . . . . . 60 . . . 6196 1 491 . 1 1 74 74 GLN C C 13 173.5 . . . . . . . 60 . . . 6196 1 492 . 1 1 74 74 GLN CA C 13 58.60 . . . . . . . 60 . . . 6196 1 493 . 1 1 74 74 GLN CB C 13 28.37 . . . . . . . 60 . . . 6196 1 494 . 1 1 74 74 GLN CG C 13 33.64 . . . . . . . 60 . . . 6196 1 495 . 1 1 74 74 GLN N N 15 116.1 . . . . . . . 60 . . . 6196 1 496 . 1 1 75 75 ASN H H 1 7.88 . . . . . . . 61 . . . 6196 1 497 . 1 1 75 75 ASN HA H 1 4.61 . . . . . . . 61 . . . 6196 1 498 . 1 1 75 75 ASN HB2 H 1 2.79 . . . . . . . 61 . . . 6196 1 499 . 1 1 75 75 ASN C C 13 174.3 . . . . . . . 61 . . . 6196 1 500 . 1 1 75 75 ASN CA C 13 55.18 . . . . . . . 61 . . . 6196 1 501 . 1 1 75 75 ASN CB C 13 39.90 . . . . . . . 61 . . . 6196 1 502 . 1 1 75 75 ASN N N 15 116.5 . . . . . . . 61 . . . 6196 1 503 . 1 1 76 76 VAL H H 1 7.58 . . . . . . . 62 . . . 6196 1 504 . 1 1 76 76 VAL HA H 1 4.59 . . . . . . . 62 . . . 6196 1 505 . 1 1 76 76 VAL HB H 1 2.35 . . . . . . . 62 . . . 6196 1 506 . 1 1 76 76 VAL HG11 H 1 0.88 . . . . . . . 62 . . . 6196 1 507 . 1 1 76 76 VAL HG12 H 1 0.88 . . . . . . . 62 . . . 6196 1 508 . 1 1 76 76 VAL HG13 H 1 0.88 . . . . . . . 62 . . . 6196 1 509 . 1 1 76 76 VAL HG21 H 1 0.64 . . . . . . . 62 . . . 6196 1 510 . 1 1 76 76 VAL HG22 H 1 0.64 . . . . . . . 62 . . . 6196 1 511 . 1 1 76 76 VAL HG23 H 1 0.64 . . . . . . . 62 . . . 6196 1 512 . 1 1 76 76 VAL C C 13 175.3 . . . . . . . 62 . . . 6196 1 513 . 1 1 76 76 VAL CA C 13 60.75 . . . . . . . 62 . . . 6196 1 514 . 1 1 76 76 VAL CB C 13 31.11 . . . . . . . 62 . . . 6196 1 515 . 1 1 76 76 VAL CG1 C 13 18.28 . . . . . . . 62 . . . 6196 1 516 . 1 1 76 76 VAL CG2 C 13 21.08 . . . . . . . 62 . . . 6196 1 517 . 1 1 76 76 VAL N N 15 110.35 . . . . . . . 62 . . . 6196 1 518 . 1 1 77 77 LYS H H 1 7.26 . . . . . . . 63 . . . 6196 1 519 . 1 1 77 77 LYS HA H 1 4.12 . . . . . . . 63 . . . 6196 1 520 . 1 1 77 77 LYS HB2 H 1 1.89 . . . . . . . 63 . . . 6196 1 521 . 1 1 77 77 LYS C C 13 174.6 . . . . . . . 63 . . . 6196 1 522 . 1 1 77 77 LYS CA C 13 59.47 . . . . . . . 63 . . . 6196 1 523 . 1 1 77 77 LYS CB C 13 32.16 . . . . . . . 63 . . . 6196 1 524 . 1 1 77 77 LYS N N 15 120.1 . . . . . . . 63 . . . 6196 1 525 . 1 1 78 78 ASP H H 1 8.61 . . . . . . . 64 . . . 6196 1 526 . 1 1 78 78 ASP HA H 1 4.63 . . . . . . . 64 . . . 6196 1 527 . 1 1 78 78 ASP HB2 H 1 2.76 . . . . . . . 64 . . . 6196 1 528 . 1 1 78 78 ASP C C 13 175.1 . . . . . . . 64 . . . 6196 1 529 . 1 1 78 78 ASP CA C 13 54.37 . . . . . . . 64 . . . 6196 1 530 . 1 1 78 78 ASP CB C 13 40.07 . . . . . . . 64 . . . 6196 1 531 . 1 1 78 78 ASP N N 15 116.8 . . . . . . . 64 . . . 6196 1 532 . 1 1 79 79 LYS H H 1 7.87 . . . . . . . 65 . . . 6196 1 533 . 1 1 79 79 LYS HA H 1 4.36 . . . . . . . 65 . . . 6196 1 534 . 1 1 79 79 LYS HB2 H 1 1.61 . . . . . . . 65 . . . 6196 1 535 . 1 1 79 79 LYS HB3 H 1 1.15 . . . . . . . 65 . . . 6196 1 536 . 1 1 79 79 LYS HG2 H 1 1.35 . . . . . . . 65 . . . 6196 1 537 . 1 1 79 79 LYS C C 13 175.6 . . . . . . . 65 . . . 6196 1 538 . 1 1 79 79 LYS CA C 13 54.26 . . . . . . . 65 . . . 6196 1 539 . 1 1 79 79 LYS CB C 13 32.53 . . . . . . . 65 . . . 6196 1 540 . 1 1 79 79 LYS N N 15 120.2 . . . . . . . 65 . . . 6196 1 541 . 1 1 80 80 ASP H H 1 8.23 . . . . . . . 66 . . . 6196 1 542 . 1 1 80 80 ASP HA H 1 4.36 . . . . . . . 66 . . . 6196 1 543 . 1 1 80 80 ASP HB2 H 1 2.58 . . . . . . . 66 . . . 6196 1 544 . 1 1 80 80 ASP HB3 H 1 3.02 . . . . . . . 66 . . . 6196 1 545 . 1 1 80 80 ASP C C 13 170.5 . . . . . . . 66 . . . 6196 1 546 . 1 1 80 80 ASP CA C 13 53.70 . . . . . . . 66 . . . 6196 1 547 . 1 1 80 80 ASP CB C 13 42.86 . . . . . . . 66 . . . 6196 1 548 . 1 1 80 80 ASP N N 15 115.7 . . . . . . . 66 . . . 6196 1 549 . 1 1 81 81 THR H H 1 7.88 . . . . . . . 67 . . . 6196 1 550 . 1 1 81 81 THR HA H 1 5.49 . . . . . . . 67 . . . 6196 1 551 . 1 1 81 81 THR HB H 1 4.03 . . . . . . . 67 . . . 6196 1 552 . 1 1 81 81 THR HG21 H 1 1.03 . . . . . . . 67 . . . 6196 1 553 . 1 1 81 81 THR HG22 H 1 1.03 . . . . . . . 67 . . . 6196 1 554 . 1 1 81 81 THR HG23 H 1 1.03 . . . . . . . 67 . . . 6196 1 555 . 1 1 81 81 THR C C 13 178.5 . . . . . . . 67 . . . 6196 1 556 . 1 1 81 81 THR CA C 13 62.77 . . . . . . . 67 . . . 6196 1 557 . 1 1 81 81 THR CB C 13 73.25 . . . . . . . 67 . . . 6196 1 558 . 1 1 81 81 THR CG2 C 13 20.36 . . . . . . . 67 . . . 6196 1 559 . 1 1 81 81 THR N N 15 119.1 . . . . . . . 67 . . . 6196 1 560 . 1 1 82 82 LEU H H 1 8.81 . . . . . . . 68 . . . 6196 1 561 . 1 1 82 82 LEU HA H 1 5.35 . . . . . . . 68 . . . 6196 1 562 . 1 1 82 82 LEU HB2 H 1 1.84 . . . . . . . 68 . . . 6196 1 563 . 1 1 82 82 LEU HB3 H 1 1.65 . . . . . . . 68 . . . 6196 1 564 . 1 1 82 82 LEU HG H 1 1.29 . . . . . . . 68 . . . 6196 1 565 . 1 1 82 82 LEU HD11 H 1 0.83 . . . . . . . 68 . . . 6196 1 566 . 1 1 82 82 LEU HD12 H 1 0.83 . . . . . . . 68 . . . 6196 1 567 . 1 1 82 82 LEU HD13 H 1 0.83 . . . . . . . 68 . . . 6196 1 568 . 1 1 82 82 LEU HD21 H 1 0.68 . . . . . . . 68 . . . 6196 1 569 . 1 1 82 82 LEU HD22 H 1 0.68 . . . . . . . 68 . . . 6196 1 570 . 1 1 82 82 LEU HD23 H 1 0.68 . . . . . . . 68 . . . 6196 1 571 . 1 1 82 82 LEU C C 13 175.4 . . . . . . . 68 . . . 6196 1 572 . 1 1 82 82 LEU CA C 13 52.42 . . . . . . . 68 . . . 6196 1 573 . 1 1 82 82 LEU CB C 13 44.94 . . . . . . . 68 . . . 6196 1 574 . 1 1 82 82 LEU CD1 C 13 24.60 . . . . . . . 68 . . . 6196 1 575 . 1 1 82 82 LEU N N 15 125.9 . . . . . . . 68 . . . 6196 1 576 . 1 1 83 83 VAL H H 1 8.95 . . . . . . . 69 . . . 6196 1 577 . 1 1 83 83 VAL HA H 1 4.74 . . . . . . . 69 . . . 6196 1 578 . 1 1 83 83 VAL HB H 1 2.0 . . . . . . . 69 . . . 6196 1 579 . 1 1 83 83 VAL HG11 H 1 0.79 . . . . . . . 69 . . . 6196 1 580 . 1 1 83 83 VAL HG12 H 1 0.79 . . . . . . . 69 . . . 6196 1 581 . 1 1 83 83 VAL HG13 H 1 0.79 . . . . . . . 69 . . . 6196 1 582 . 1 1 83 83 VAL C C 13 175.5 . . . . . . . 69 . . . 6196 1 583 . 1 1 83 83 VAL CA C 13 60.94 . . . . . . . 69 . . . 6196 1 584 . 1 1 83 83 VAL CB C 13 33.15 . . . . . . . 69 . . . 6196 1 585 . 1 1 83 83 VAL N N 15 121.8 . . . . . . . 69 . . . 6196 1 586 . 1 1 84 84 PHE H H 1 9.79 . . . . . . . 70 . . . 6196 1 587 . 1 1 84 84 PHE HA H 1 5.24 . . . . . . . 70 . . . 6196 1 588 . 1 1 84 84 PHE HB2 H 1 2.52 . . . . . . . 70 . . . 6196 1 589 . 1 1 84 84 PHE HB3 H 1 3.03 . . . . . . . 70 . . . 6196 1 590 . 1 1 84 84 PHE HD1 H 1 7.12 . . . . . . . 70 . . . 6196 1 591 . 1 1 84 84 PHE C C 13 173.6 . . . . . . . 70 . . . 6196 1 592 . 1 1 84 84 PHE CA C 13 57.68 . . . . . . . 70 . . . 6196 1 593 . 1 1 84 84 PHE CB C 13 43.23 . . . . . . . 70 . . . 6196 1 594 . 1 1 84 84 PHE N N 15 126.4 . . . . . . . 70 . . . 6196 1 595 . 1 1 85 85 HIS H H 1 9.10 . . . . . . . 71 . . . 6196 1 596 . 1 1 85 85 HIS HA H 1 4.98 . . . . . . . 71 . . . 6196 1 597 . 1 1 85 85 HIS HB2 H 1 3.08 . . . . . . . 71 . . . 6196 1 598 . 1 1 85 85 HIS HB3 H 1 3.20 . . . . . . . 71 . . . 6196 1 599 . 1 1 85 85 HIS C C 13 178.9 . . . . . . . 71 . . . 6196 1 600 . 1 1 85 85 HIS CA C 13 55.67 . . . . . . . 71 . . . 6196 1 601 . 1 1 85 85 HIS N N 15 112.7 . . . . . . . 71 . . . 6196 1 602 . 1 1 86 86 SER H H 1 8.59 . . . . . . . 72 . . . 6196 1 603 . 1 1 86 86 SER HA H 1 4.30 . . . . . . . 72 . . . 6196 1 604 . 1 1 86 86 SER C C 13 177.8 . . . . . . . 72 . . . 6196 1 605 . 1 1 86 86 SER CA C 13 55.5 . . . . . . . 72 . . . 6196 1 606 . 1 1 86 86 SER N N 15 112.3 . . . . . . . 72 . . . 6196 1 607 . 1 1 87 87 ALA CA C 13 57.89 . . . . . . . 73 . . . 6196 1 608 . 1 1 87 87 ALA CB C 13 17.93 . . . . . . . 73 . . . 6196 1 609 . 1 1 88 88 LEU H H 1 8.98 . . . . . . . 74 . . . 6196 1 610 . 1 1 88 88 LEU C C 13 173.2 . . . . . . . 74 . . . 6196 1 611 . 1 1 88 88 LEU CA C 13 54.09 . . . . . . . 74 . . . 6196 1 612 . 1 1 88 88 LEU N N 15 114.7 . . . . . . . 74 . . . 6196 1 613 . 1 1 89 89 SER H H 1 7.68 . . . . . . . 75 . . . 6196 1 614 . 1 1 89 89 SER HA H 1 4.27 . . . . . . . 75 . . . 6196 1 615 . 1 1 89 89 SER C C 13 177.9 . . . . . . . 75 . . . 6196 1 616 . 1 1 89 89 SER CA C 13 59.62 . . . . . . . 75 . . . 6196 1 617 . 1 1 89 89 SER CB C 13 64.47 . . . . . . . 75 . . . 6196 1 618 . 1 1 89 89 SER N N 15 111.3 . . . . . . . 75 . . . 6196 1 619 . 1 1 90 90 GLN H H 1 9.81 . . . . . . . 76 . . . 6196 1 620 . 1 1 90 90 GLN HA H 1 4.53 . . . . . . . 76 . . . 6196 1 621 . 1 1 90 90 GLN C C 13 174.5 . . . . . . . 76 . . . 6196 1 622 . 1 1 90 90 GLN CA C 13 57.33 . . . . . . . 76 . . . 6196 1 623 . 1 1 90 90 GLN N N 15 119.0 . . . . . . . 76 . . . 6196 1 624 . 1 1 91 91 VAL H H 1 10.23 . . . . . . . 77 . . . 6196 1 625 . 1 1 91 91 VAL HA H 1 4.27 . . . . . . . 77 . . . 6196 1 626 . 1 1 91 91 VAL HB H 1 1.99 . . . . . . . 77 . . . 6196 1 627 . 1 1 91 91 VAL HG11 H 1 0.98 . . . . . . . 77 . . . 6196 1 628 . 1 1 91 91 VAL HG12 H 1 0.98 . . . . . . . 77 . . . 6196 1 629 . 1 1 91 91 VAL HG13 H 1 0.98 . . . . . . . 77 . . . 6196 1 630 . 1 1 91 91 VAL C C 13 173.1 . . . . . . . 77 . . . 6196 1 631 . 1 1 91 91 VAL CA C 13 65.9 . . . . . . . 77 . . . 6196 1 632 . 1 1 91 91 VAL CB C 13 33.93 . . . . . . . 77 . . . 6196 1 633 . 1 1 91 91 VAL N N 15 122.3 . . . . . . . 77 . . . 6196 1 634 . 1 1 92 92 ARG H H 1 10.21 . . . . . . . 78 . . . 6196 1 635 . 1 1 92 92 ARG C C 13 172.6 . . . . . . . 78 . . . 6196 1 636 . 1 1 92 92 ARG CA C 13 61.44 . . . . . . . 78 . . . 6196 1 637 . 1 1 92 92 ARG N N 15 124.8 . . . . . . . 78 . . . 6196 1 638 . 1 1 93 93 GLY H H 1 9.86 . . . . . . . 79 . . . 6196 1 639 . 1 1 93 93 GLY HA2 H 1 3.85 . . . . . . . 79 . . . 6196 1 640 . 1 1 93 93 GLY HA3 H 1 3.98 . . . . . . . 79 . . . 6196 1 641 . 1 1 93 93 GLY C C 13 175.9 . . . . . . . 79 . . . 6196 1 642 . 1 1 93 93 GLY CA C 13 46.25 . . . . . . . 79 . . . 6196 1 643 . 1 1 93 93 GLY N N 15 110.8 . . . . . . . 79 . . . 6196 1 644 . 1 1 94 94 PRO CA C 13 65.15 . . . . . . . 80 . . . 6196 1 645 . 1 1 94 94 PRO CB C 13 31.55 . . . . . . . 80 . . . 6196 1 646 . 1 1 95 95 THR H H 1 7.66 . . . . . . . 81 . . . 6196 1 647 . 1 1 95 95 THR HA H 1 3.80 . . . . . . . 81 . . . 6196 1 648 . 1 1 95 95 THR HB H 1 4.24 . . . . . . . 81 . . . 6196 1 649 . 1 1 95 95 THR HG21 H 1 1.20 . . . . . . . 81 . . . 6196 1 650 . 1 1 95 95 THR HG22 H 1 1.20 . . . . . . . 81 . . . 6196 1 651 . 1 1 95 95 THR HG23 H 1 1.20 . . . . . . . 81 . . . 6196 1 652 . 1 1 95 95 THR C C 13 174.0 . . . . . . . 81 . . . 6196 1 653 . 1 1 95 95 THR CA C 13 67.23 . . . . . . . 81 . . . 6196 1 654 . 1 1 95 95 THR CB C 13 68.49 . . . . . . . 81 . . . 6196 1 655 . 1 1 95 95 THR N N 15 112.8 . . . . . . . 81 . . . 6196 1 656 . 1 1 96 96 CYS H H 1 8.19 . . . . . . . 82 . . . 6196 1 657 . 1 1 96 96 CYS HA H 1 3.50 . . . . . . . 82 . . . 6196 1 658 . 1 1 96 96 CYS HB2 H 1 2.30 . . . . . . . 82 . . . 6196 1 659 . 1 1 96 96 CYS HB3 H 1 2.50 . . . . . . . 82 . . . 6196 1 660 . 1 1 96 96 CYS C C 13 175.9 . . . . . . . 82 . . . 6196 1 661 . 1 1 96 96 CYS CA C 13 65.32 . . . . . . . 82 . . . 6196 1 662 . 1 1 96 96 CYS CB C 13 26.93 . . . . . . . 82 . . . 6196 1 663 . 1 1 96 96 CYS N N 15 119.8 . . . . . . . 82 . . . 6196 1 664 . 1 1 97 97 ALA H H 1 7.27 . . . . . . . 83 . . . 6196 1 665 . 1 1 97 97 ALA HA H 1 2.38 . . . . . . . 83 . . . 6196 1 666 . 1 1 97 97 ALA HB1 H 1 0.64 . . . . . . . 83 . . . 6196 1 667 . 1 1 97 97 ALA HB2 H 1 0.64 . . . . . . . 83 . . . 6196 1 668 . 1 1 97 97 ALA HB3 H 1 0.64 . . . . . . . 83 . . . 6196 1 669 . 1 1 97 97 ALA C C 13 172.6 . . . . . . . 83 . . . 6196 1 670 . 1 1 97 97 ALA CA C 13 54.86 . . . . . . . 83 . . . 6196 1 671 . 1 1 97 97 ALA CB C 13 17.96 . . . . . . . 83 . . . 6196 1 672 . 1 1 97 97 ALA N N 15 121.3 . . . . . . . 83 . . . 6196 1 673 . 1 1 98 98 ARG H H 1 7.5 . . . . . . . 84 . . . 6196 1 674 . 1 1 98 98 ARG HA H 1 3.72 . . . . . . . 84 . . . 6196 1 675 . 1 1 98 98 ARG HB2 H 1 1.84 . . . . . . . 84 . . . 6196 1 676 . 1 1 98 98 ARG HG2 H 1 1.70 . . . . . . . 84 . . . 6196 1 677 . 1 1 98 98 ARG HG3 H 1 1.60 . . . . . . . 84 . . . 6196 1 678 . 1 1 98 98 ARG C C 13 172.5 . . . . . . . 84 . . . 6196 1 679 . 1 1 98 98 ARG CA C 13 59.48 . . . . . . . 84 . . . 6196 1 680 . 1 1 98 98 ARG CB C 13 29.37 . . . . . . . 84 . . . 6196 1 681 . 1 1 98 98 ARG CG C 13 27.33 . . . . . . . 84 . . . 6196 1 682 . 1 1 98 98 ARG N N 15 115.4 . . . . . . . 84 . . . 6196 1 683 . 1 1 99 99 ARG H H 1 7.93 . . . . . . . 85 . . . 6196 1 684 . 1 1 99 99 ARG HA H 1 4.20 . . . . . . . 85 . . . 6196 1 685 . 1 1 99 99 ARG HB2 H 1 2.07 . . . . . . . 85 . . . 6196 1 686 . 1 1 99 99 ARG HG2 H 1 1.79 . . . . . . . 85 . . . 6196 1 687 . 1 1 99 99 ARG HD2 H 1 3.39 . . . . . . . 85 . . . 6196 1 688 . 1 1 99 99 ARG C C 13 171.8 . . . . . . . 85 . . . 6196 1 689 . 1 1 99 99 ARG CA C 13 58.99 . . . . . . . 85 . . . 6196 1 690 . 1 1 99 99 ARG CB C 13 29.19 . . . . . . . 85 . . . 6196 1 691 . 1 1 99 99 ARG CD C 13 42.49 . . . . . . . 85 . . . 6196 1 692 . 1 1 99 99 ARG N N 15 119.5 . . . . . . . 85 . . . 6196 1 693 . 1 1 100 100 LEU H H 1 8.07 . . . . . . . 86 . . . 6196 1 694 . 1 1 100 100 LEU HA H 1 4.33 . . . . . . . 86 . . . 6196 1 695 . 1 1 100 100 LEU HD11 H 1 0.95 . . . . . . . 86 . . . 6196 1 696 . 1 1 100 100 LEU HD12 H 1 0.95 . . . . . . . 86 . . . 6196 1 697 . 1 1 100 100 LEU HD13 H 1 0.95 . . . . . . . 86 . . . 6196 1 698 . 1 1 100 100 LEU HD21 H 1 0.65 . . . . . . . 86 . . . 6196 1 699 . 1 1 100 100 LEU HD22 H 1 0.65 . . . . . . . 86 . . . 6196 1 700 . 1 1 100 100 LEU HD23 H 1 0.65 . . . . . . . 86 . . . 6196 1 701 . 1 1 100 100 LEU C C 13 173.1 . . . . . . . 86 . . . 6196 1 702 . 1 1 100 100 LEU CA C 13 58.54 . . . . . . . 86 . . . 6196 1 703 . 1 1 100 100 LEU CB C 13 40.83 . . . . . . . 86 . . . 6196 1 704 . 1 1 100 100 LEU N N 15 120.1 . . . . . . . 86 . . . 6196 1 705 . 1 1 101 101 VAL H H 1 8.00 . . . . . . . 87 . . . 6196 1 706 . 1 1 101 101 VAL HA H 1 4.32 . . . . . . . 87 . . . 6196 1 707 . 1 1 101 101 VAL HB H 1 2.16 . . . . . . . 87 . . . 6196 1 708 . 1 1 101 101 VAL HG11 H 1 0.96 . . . . . . . 87 . . . 6196 1 709 . 1 1 101 101 VAL HG12 H 1 0.96 . . . . . . . 87 . . . 6196 1 710 . 1 1 101 101 VAL HG13 H 1 0.96 . . . . . . . 87 . . . 6196 1 711 . 1 1 101 101 VAL C C 13 173.3 . . . . . . . 87 . . . 6196 1 712 . 1 1 101 101 VAL CA C 13 69.43 . . . . . . . 87 . . . 6196 1 713 . 1 1 101 101 VAL CB C 13 31.5 . . . . . . . 87 . . . 6196 1 714 . 1 1 101 101 VAL N N 15 119.7 . . . . . . . 87 . . . 6196 1 715 . 1 1 102 102 ASN H H 1 8.19 . . . . . . . 88 . . . 6196 1 716 . 1 1 102 102 ASN HA H 1 4.48 . . . . . . . 88 . . . 6196 1 717 . 1 1 102 102 ASN HB2 H 1 2.91 . . . . . . . 88 . . . 6196 1 718 . 1 1 102 102 ASN HB3 H 1 3.36 . . . . . . . 88 . . . 6196 1 719 . 1 1 102 102 ASN C C 13 173.8 . . . . . . . 88 . . . 6196 1 720 . 1 1 102 102 ASN CA C 13 56.56 . . . . . . . 88 . . . 6196 1 721 . 1 1 102 102 ASN CB C 13 38.29 . . . . . . . 88 . . . 6196 1 722 . 1 1 102 102 ASN N N 15 117.0 . . . . . . . 88 . . . 6196 1 723 . 1 1 103 103 TYR H H 1 8.30 . . . . . . . 89 . . . 6196 1 724 . 1 1 103 103 TYR HA H 1 4.25 . . . . . . . 89 . . . 6196 1 725 . 1 1 103 103 TYR HB2 H 1 3.15 . . . . . . . 89 . . . 6196 1 726 . 1 1 103 103 TYR HB3 H 1 3.32 . . . . . . . 89 . . . 6196 1 727 . 1 1 103 103 TYR HD1 H 1 6.96 . . . . . . . 89 . . . 6196 1 728 . 1 1 103 103 TYR C C 13 173.2 . . . . . . . 89 . . . 6196 1 729 . 1 1 103 103 TYR CA C 13 62.38 . . . . . . . 89 . . . 6196 1 730 . 1 1 103 103 TYR CB C 13 39.28 . . . . . . . 89 . . . 6196 1 731 . 1 1 103 103 TYR N N 15 122.01 . . . . . . . 89 . . . 6196 1 732 . 1 1 104 104 LEU H H 1 8.73 . . . . . . . 90 . . . 6196 1 733 . 1 1 104 104 LEU HA H 1 3.97 . . . . . . . 90 . . . 6196 1 734 . 1 1 104 104 LEU HB2 H 1 2.04 . . . . . . . 90 . . . 6196 1 735 . 1 1 104 104 LEU HB3 H 1 1.99 . . . . . . . 90 . . . 6196 1 736 . 1 1 104 104 LEU C C 13 171.2 . . . . . . . 90 . . . 6196 1 737 . 1 1 104 104 LEU CA C 13 57.93 . . . . . . . 90 . . . 6196 1 738 . 1 1 104 104 LEU CB C 13 41.06 . . . . . . . 90 . . . 6196 1 739 . 1 1 104 104 LEU N N 15 118.3 . . . . . . . 90 . . . 6196 1 740 . 1 1 105 105 ASP H H 1 8.19 . . . . . . . 91 . . . 6196 1 741 . 1 1 105 105 ASP HA H 1 4.48 . . . . . . . 91 . . . 6196 1 742 . 1 1 105 105 ASP HB2 H 1 2.72 . . . . . . . 91 . . . 6196 1 743 . 1 1 105 105 ASP HB3 H 1 2.86 . . . . . . . 91 . . . 6196 1 744 . 1 1 105 105 ASP C C 13 173.0 . . . . . . . 91 . . . 6196 1 745 . 1 1 105 105 ASP CA C 13 57.11 . . . . . . . 91 . . . 6196 1 746 . 1 1 105 105 ASP CB C 13 41.02 . . . . . . . 91 . . . 6196 1 747 . 1 1 105 105 ASP N N 15 118.8 . . . . . . . 91 . . . 6196 1 748 . 1 1 106 106 GLU H H 1 7.93 . . . . . . . 92 . . . 6196 1 749 . 1 1 106 106 GLU HA H 1 4.06 . . . . . . . 92 . . . 6196 1 750 . 1 1 106 106 GLU HB2 H 1 2.02 . . . . . . . 92 . . . 6196 1 751 . 1 1 106 106 GLU HG2 H 1 2.38 . . . . . . . 92 . . . 6196 1 752 . 1 1 106 106 GLU C C 13 173.1 . . . . . . . 92 . . . 6196 1 753 . 1 1 106 106 GLU CA C 13 58.68 . . . . . . . 92 . . . 6196 1 754 . 1 1 106 106 GLU CB C 13 30.00 . . . . . . . 92 . . . 6196 1 755 . 1 1 106 106 GLU CG C 13 36.42 . . . . . . . 92 . . . 6196 1 756 . 1 1 106 106 GLU N N 15 119.1 . . . . . . . 92 . . . 6196 1 757 . 1 1 107 107 LYS H H 1 7.83 . . . . . . . 93 . . . 6196 1 758 . 1 1 107 107 LYS HA H 1 4.05 . . . . . . . 93 . . . 6196 1 759 . 1 1 107 107 LYS HB2 H 1 1.53 . . . . . . . 93 . . . 6196 1 760 . 1 1 107 107 LYS HB3 H 1 1.73 . . . . . . . 93 . . . 6196 1 761 . 1 1 107 107 LYS HG2 H 1 1.09 . . . . . . . 93 . . . 6196 1 762 . 1 1 107 107 LYS HG3 H 1 1.16 . . . . . . . 93 . . . 6196 1 763 . 1 1 107 107 LYS HD2 H 1 1.41 . . . . . . . 93 . . . 6196 1 764 . 1 1 107 107 LYS C C 13 174.2 . . . . . . . 93 . . . 6196 1 765 . 1 1 107 107 LYS CA C 13 56.13 . . . . . . . 93 . . . 6196 1 766 . 1 1 107 107 LYS CB C 13 31.90 . . . . . . . 93 . . . 6196 1 767 . 1 1 107 107 LYS CG C 13 24.33 . . . . . . . 93 . . . 6196 1 768 . 1 1 107 107 LYS CD C 13 28.13 . . . . . . . 93 . . . 6196 1 769 . 1 1 107 107 LYS N N 15 117.6 . . . . . . . 93 . . . 6196 1 770 . 1 1 108 108 LYS H H 1 7.98 . . . . . . . 94 . . . 6196 1 771 . 1 1 108 108 LYS HA H 1 4.00 . . . . . . . 94 . . . 6196 1 772 . 1 1 108 108 LYS HB2 H 1 1.86 . . . . . . . 94 . . . 6196 1 773 . 1 1 108 108 LYS HG2 H 1 1.37 . . . . . . . 94 . . . 6196 1 774 . 1 1 108 108 LYS C C 13 174.4 . . . . . . . 94 . . . 6196 1 775 . 1 1 108 108 LYS CA C 13 57.52 . . . . . . . 94 . . . 6196 1 776 . 1 1 108 108 LYS CB C 13 30.55 . . . . . . . 94 . . . 6196 1 777 . 1 1 108 108 LYS CG C 13 24.84 . . . . . . . 94 . . . 6196 1 778 . 1 1 108 108 LYS N N 15 117.3 . . . . . . . 94 . . . 6196 1 779 . 1 1 109 109 GLU H H 1 7.81 . . . . . . . 95 . . . 6196 1 780 . 1 1 109 109 GLU HA H 1 4.31 . . . . . . . 95 . . . 6196 1 781 . 1 1 109 109 GLU HB2 H 1 1.92 . . . . . . . 95 . . . 6196 1 782 . 1 1 109 109 GLU HB3 H 1 1.79 . . . . . . . 95 . . . 6196 1 783 . 1 1 109 109 GLU HG2 H 1 2.15 . . . . . . . 95 . . . 6196 1 784 . 1 1 109 109 GLU C C 13 174.8 . . . . . . . 95 . . . 6196 1 785 . 1 1 109 109 GLU CA C 13 56.05 . . . . . . . 95 . . . 6196 1 786 . 1 1 109 109 GLU CB C 13 31.14 . . . . . . . 95 . . . 6196 1 787 . 1 1 109 109 GLU CG C 13 35.98 . . . . . . . 95 . . . 6196 1 788 . 1 1 109 109 GLU N N 15 118.3 . . . . . . . 95 . . . 6196 1 789 . 1 1 110 110 ASP H H 1 8.71 . . . . . . . 96 . . . 6196 1 790 . 1 1 110 110 ASP HA H 1 4.68 . . . . . . . 96 . . . 6196 1 791 . 1 1 110 110 ASP HB2 H 1 2.72 . . . . . . . 96 . . . 6196 1 792 . 1 1 110 110 ASP HB3 H 1 2.61 . . . . . . . 96 . . . 6196 1 793 . 1 1 110 110 ASP C C 13 174.7 . . . . . . . 96 . . . 6196 1 794 . 1 1 110 110 ASP CA C 13 54.45 . . . . . . . 96 . . . 6196 1 795 . 1 1 110 110 ASP CB C 13 40.67 . . . . . . . 96 . . . 6196 1 796 . 1 1 110 110 ASP N N 15 123.6 . . . . . . . 96 . . . 6196 1 797 . 1 1 111 111 THR H H 1 8.30 . . . . . . . 97 . . . 6196 1 798 . 1 1 111 111 THR HA H 1 4.64 . . . . . . . 97 . . . 6196 1 799 . 1 1 111 111 THR HB H 1 4.33 . . . . . . . 97 . . . 6196 1 800 . 1 1 111 111 THR HG21 H 1 1.18 . . . . . . . 97 . . . 6196 1 801 . 1 1 111 111 THR HG22 H 1 1.18 . . . . . . . 97 . . . 6196 1 802 . 1 1 111 111 THR HG23 H 1 1.18 . . . . . . . 97 . . . 6196 1 803 . 1 1 111 111 THR C C 13 176.1 . . . . . . . 97 . . . 6196 1 804 . 1 1 111 111 THR CA C 13 62.02 . . . . . . . 97 . . . 6196 1 805 . 1 1 111 111 THR CB C 13 71.25 . . . . . . . 97 . . . 6196 1 806 . 1 1 111 111 THR N N 15 115.5 . . . . . . . 97 . . . 6196 1 807 . 1 1 112 112 GLY H H 1 8.66 . . . . . . . 98 . . . 6196 1 808 . 1 1 112 112 GLY HA2 H 1 4.11 . . . . . . . 98 . . . 6196 1 809 . 1 1 112 112 GLY HA3 H 1 3.89 . . . . . . . 98 . . . 6196 1 810 . 1 1 112 112 GLY C C 13 176.1 . . . . . . . 98 . . . 6196 1 811 . 1 1 112 112 GLY CA C 13 44.14 . . . . . . . 98 . . . 6196 1 812 . 1 1 112 112 GLY N N 15 111.1 . . . . . . . 98 . . . 6196 1 813 . 1 1 113 113 ILE H H 1 7.91 . . . . . . . 99 . . . 6196 1 814 . 1 1 113 113 ILE HA H 1 3.72 . . . . . . . 99 . . . 6196 1 815 . 1 1 113 113 ILE HB H 1 1.72 . . . . . . . 99 . . . 6196 1 816 . 1 1 113 113 ILE HG21 H 1 0.85 . . . . . . . 99 . . . 6196 1 817 . 1 1 113 113 ILE HG22 H 1 0.85 . . . . . . . 99 . . . 6196 1 818 . 1 1 113 113 ILE HG23 H 1 0.85 . . . . . . . 99 . . . 6196 1 819 . 1 1 113 113 ILE HD11 H 1 0.67 . . . . . . . 99 . . . 6196 1 820 . 1 1 113 113 ILE HD12 H 1 0.67 . . . . . . . 99 . . . 6196 1 821 . 1 1 113 113 ILE HD13 H 1 0.67 . . . . . . . 99 . . . 6196 1 822 . 1 1 113 113 ILE C C 13 174.8 . . . . . . . 99 . . . 6196 1 823 . 1 1 113 113 ILE CA C 13 64.09 . . . . . . . 99 . . . 6196 1 824 . 1 1 113 113 ILE CB C 13 37.7 . . . . . . . 99 . . . 6196 1 825 . 1 1 113 113 ILE N N 15 120.2 . . . . . . . 99 . . . 6196 1 826 . 1 1 114 114 LYS H H 1 8.84 . . . . . . . 100 . . . 6196 1 827 . 1 1 114 114 LYS HA H 1 4.53 . . . . . . . 100 . . . 6196 1 828 . 1 1 114 114 LYS HB2 H 1 1.83 . . . . . . . 100 . . . 6196 1 829 . 1 1 114 114 LYS HB3 H 1 1.67 . . . . . . . 100 . . . 6196 1 830 . 1 1 114 114 LYS HG2 H 1 1.43 . . . . . . . 100 . . . 6196 1 831 . 1 1 114 114 LYS HG3 H 1 1.58 . . . . . . . 100 . . . 6196 1 832 . 1 1 114 114 LYS C C 13 174.8 . . . . . . . 100 . . . 6196 1 833 . 1 1 114 114 LYS CA C 13 56.81 . . . . . . . 100 . . . 6196 1 834 . 1 1 114 114 LYS CB C 13 35.11 . . . . . . . 100 . . . 6196 1 835 . 1 1 114 114 LYS CG C 13 24.70 . . . . . . . 100 . . . 6196 1 836 . 1 1 114 114 LYS N N 15 128.8 . . . . . . . 100 . . . 6196 1 837 . 1 1 115 115 ASN H H 1 8.19 . . . . . . . 101 . . . 6196 1 838 . 1 1 115 115 ASN HA H 1 5.16 . . . . . . . 101 . . . 6196 1 839 . 1 1 115 115 ASN HB2 H 1 2.62 . . . . . . . 101 . . . 6196 1 840 . 1 1 115 115 ASN HB3 H 1 2.87 . . . . . . . 101 . . . 6196 1 841 . 1 1 115 115 ASN C C 13 177.5 . . . . . . . 101 . . . 6196 1 842 . 1 1 115 115 ASN CA C 13 52.13 . . . . . . . 101 . . . 6196 1 843 . 1 1 115 115 ASN CB C 13 42.08 . . . . . . . 101 . . . 6196 1 844 . 1 1 115 115 ASN N N 15 116.5 . . . . . . . 101 . . . 6196 1 845 . 1 1 116 116 ILE H H 1 9.01 . . . . . . . 102 . . . 6196 1 846 . 1 1 116 116 ILE HA H 1 4.83 . . . . . . . 102 . . . 6196 1 847 . 1 1 116 116 ILE HB H 1 1.79 . . . . . . . 102 . . . 6196 1 848 . 1 1 116 116 ILE HG12 H 1 1.05 . . . . . . . 102 . . . 6196 1 849 . 1 1 116 116 ILE HG13 H 1 1.46 . . . . . . . 102 . . . 6196 1 850 . 1 1 116 116 ILE HG21 H 1 0.83 . . . . . . . 102 . . . 6196 1 851 . 1 1 116 116 ILE HG22 H 1 0.83 . . . . . . . 102 . . . 6196 1 852 . 1 1 116 116 ILE HG23 H 1 0.83 . . . . . . . 102 . . . 6196 1 853 . 1 1 116 116 ILE HD11 H 1 0.68 . . . . . . . 102 . . . 6196 1 854 . 1 1 116 116 ILE HD12 H 1 0.68 . . . . . . . 102 . . . 6196 1 855 . 1 1 116 116 ILE HD13 H 1 0.68 . . . . . . . 102 . . . 6196 1 856 . 1 1 116 116 ILE C C 13 177.4 . . . . . . . 102 . . . 6196 1 857 . 1 1 116 116 ILE CA C 13 61.85 . . . . . . . 102 . . . 6196 1 858 . 1 1 116 116 ILE CB C 13 38.80 . . . . . . . 102 . . . 6196 1 859 . 1 1 116 116 ILE N N 15 125.4 . . . . . . . 102 . . . 6196 1 860 . 1 1 117 117 MET H H 1 9.20 . . . . . . . 103 . . . 6196 1 861 . 1 1 117 117 MET HA H 1 5.67 . . . . . . . 103 . . . 6196 1 862 . 1 1 117 117 MET HB2 H 1 1.87 . . . . . . . 103 . . . 6196 1 863 . 1 1 117 117 MET HB3 H 1 1.77 . . . . . . . 103 . . . 6196 1 864 . 1 1 117 117 MET HE1 H 1 2.23 . . . . . . . 103 . . . 6196 1 865 . 1 1 117 117 MET HE2 H 1 2.23 . . . . . . . 103 . . . 6196 1 866 . 1 1 117 117 MET HE3 H 1 2.23 . . . . . . . 103 . . . 6196 1 867 . 1 1 117 117 MET C C 13 175.4 . . . . . . . 103 . . . 6196 1 868 . 1 1 117 117 MET CA C 13 52.9 . . . . . . . 103 . . . 6196 1 869 . 1 1 117 117 MET CB C 13 38.36 . . . . . . . 103 . . . 6196 1 870 . 1 1 117 117 MET N N 15 123.7 . . . . . . . 103 . . . 6196 1 871 . 1 1 118 118 ILE H H 1 8.63 . . . . . . . 104 . . . 6196 1 872 . 1 1 118 118 ILE HA H 1 4.77 . . . . . . . 104 . . . 6196 1 873 . 1 1 118 118 ILE HG12 H 1 1.08 . . . . . . . 104 . . . 6196 1 874 . 1 1 118 118 ILE HG21 H 1 0.73 . . . . . . . 104 . . . 6196 1 875 . 1 1 118 118 ILE HG22 H 1 0.73 . . . . . . . 104 . . . 6196 1 876 . 1 1 118 118 ILE HG23 H 1 0.73 . . . . . . . 104 . . . 6196 1 877 . 1 1 118 118 ILE HD11 H 1 0.44 . . . . . . . 104 . . . 6196 1 878 . 1 1 118 118 ILE HD12 H 1 0.44 . . . . . . . 104 . . . 6196 1 879 . 1 1 118 118 ILE HD13 H 1 0.44 . . . . . . . 104 . . . 6196 1 880 . 1 1 118 118 ILE C C 13 175.3 . . . . . . . 104 . . . 6196 1 881 . 1 1 118 118 ILE CA C 13 59.4 . . . . . . . 104 . . . 6196 1 882 . 1 1 118 118 ILE CB C 13 40.24 . . . . . . . 104 . . . 6196 1 883 . 1 1 118 118 ILE CG2 C 13 18.47 . . . . . . . 104 . . . 6196 1 884 . 1 1 118 118 ILE CD1 C 13 14.62 . . . . . . . 104 . . . 6196 1 885 . 1 1 118 118 ILE N N 15 120.2 . . . . . . . 104 . . . 6196 1 886 . 1 1 119 119 LEU H H 1 8.46 . . . . . . . 105 . . . 6196 1 887 . 1 1 119 119 LEU HA H 1 4.90 . . . . . . . 105 . . . 6196 1 888 . 1 1 119 119 LEU HB2 H 1 1.92 . . . . . . . 105 . . . 6196 1 889 . 1 1 119 119 LEU HG H 1 0.80 . . . . . . . 105 . . . 6196 1 890 . 1 1 119 119 LEU HD11 H 1 0.34 . . . . . . . 105 . . . 6196 1 891 . 1 1 119 119 LEU HD12 H 1 0.34 . . . . . . . 105 . . . 6196 1 892 . 1 1 119 119 LEU HD13 H 1 0.34 . . . . . . . 105 . . . 6196 1 893 . 1 1 119 119 LEU HD21 H 1 0.94 . . . . . . . 105 . . . 6196 1 894 . 1 1 119 119 LEU HD22 H 1 0.94 . . . . . . . 105 . . . 6196 1 895 . 1 1 119 119 LEU HD23 H 1 0.94 . . . . . . . 105 . . . 6196 1 896 . 1 1 119 119 LEU C C 13 175.3 . . . . . . . 105 . . . 6196 1 897 . 1 1 119 119 LEU CA C 13 53.50 . . . . . . . 105 . . . 6196 1 898 . 1 1 119 119 LEU CB C 13 42.61 . . . . . . . 105 . . . 6196 1 899 . 1 1 119 119 LEU CD1 C 13 25.49 . . . . . . . 105 . . . 6196 1 900 . 1 1 119 119 LEU N N 15 125.6 . . . . . . . 105 . . . 6196 1 901 . 1 1 120 120 GLU H H 1 9.73 . . . . . . . 106 . . . 6196 1 902 . 1 1 120 120 GLU HA H 1 4.51 . . . . . . . 106 . . . 6196 1 903 . 1 1 120 120 GLU HB2 H 1 2.08 . . . . . . . 106 . . . 6196 1 904 . 1 1 120 120 GLU HB3 H 1 2.14 . . . . . . . 106 . . . 6196 1 905 . 1 1 120 120 GLU HG2 H 1 2.32 . . . . . . . 106 . . . 6196 1 906 . 1 1 120 120 GLU CA C 13 58.4 . . . . . . . 106 . . . 6196 1 907 . 1 1 120 120 GLU CB C 13 30.82 . . . . . . . 106 . . . 6196 1 908 . 1 1 120 120 GLU N N 15 138.6 . . . . . . . 106 . . . 6196 1 909 . 1 1 121 121 ARG H H 1 10.02 . . . . . . . 107 . . . 6196 1 910 . 1 1 121 121 ARG HA H 1 4.05 . . . . . . . 107 . . . 6196 1 911 . 1 1 121 121 ARG HB2 H 1 1.73 . . . . . . . 107 . . . 6196 1 912 . 1 1 121 121 ARG HB3 H 1 1.84 . . . . . . . 107 . . . 6196 1 913 . 1 1 121 121 ARG C C 13 173.1 . . . . . . . 107 . . . 6196 1 914 . 1 1 121 121 ARG CA C 13 59.83 . . . . . . . 107 . . . 6196 1 915 . 1 1 121 121 ARG N N 15 121.4 . . . . . . . 107 . . . 6196 1 916 . 1 1 122 122 GLY H H 1 7.77 . . . . . . . 108 . . . 6196 1 917 . 1 1 122 122 GLY HA2 H 1 3.77 . . . . . . . 108 . . . 6196 1 918 . 1 1 122 122 GLY C C 13 177.3 . . . . . . . 108 . . . 6196 1 919 . 1 1 122 122 GLY CA C 13 46.3 . . . . . . . 108 . . . 6196 1 920 . 1 1 122 122 GLY N N 15 101.6 . . . . . . . 108 . . . 6196 1 921 . 1 1 123 123 PHE H H 1 8.28 . . . . . . . 109 . . . 6196 1 922 . 1 1 123 123 PHE HA H 1 3.66 . . . . . . . 109 . . . 6196 1 923 . 1 1 123 123 PHE HB2 H 1 2.96 . . . . . . . 109 . . . 6196 1 924 . 1 1 123 123 PHE C C 13 173.3 . . . . . . . 109 . . . 6196 1 925 . 1 1 123 123 PHE CA C 13 62.82 . . . . . . . 109 . . . 6196 1 926 . 1 1 123 123 PHE CB C 13 39.84 . . . . . . . 109 . . . 6196 1 927 . 1 1 123 123 PHE N N 15 119.6 . . . . . . . 109 . . . 6196 1 928 . 1 1 124 124 ASN H H 1 9.60 . . . . . . . 110 . . . 6196 1 929 . 1 1 124 124 ASN HA H 1 3.66 . . . . . . . 110 . . . 6196 1 930 . 1 1 124 124 ASN HB2 H 1 2.90 . . . . . . . 110 . . . 6196 1 931 . 1 1 124 124 ASN C C 13 172.5 . . . . . . . 110 . . . 6196 1 932 . 1 1 124 124 ASN CA C 13 57.06 . . . . . . . 110 . . . 6196 1 933 . 1 1 124 124 ASN CB C 13 36.93 . . . . . . . 110 . . . 6196 1 934 . 1 1 124 124 ASN N N 15 119.3 . . . . . . . 110 . . . 6196 1 935 . 1 1 125 125 GLY H H 1 7.77 . . . . . . . 111 . . . 6196 1 936 . 1 1 125 125 GLY HA2 H 1 3.97 . . . . . . . 111 . . . 6196 1 937 . 1 1 125 125 GLY HA3 H 1 3.70 . . . . . . . 111 . . . 6196 1 938 . 1 1 125 125 GLY CA C 13 46.08 . . . . . . . 111 . . . 6196 1 939 . 1 1 125 125 GLY N N 15 105.3 . . . . . . . 111 . . . 6196 1 940 . 1 1 126 126 TRP H H 1 7.27 . . . . . . . 112 . . . 6196 1 941 . 1 1 126 126 TRP HA H 1 3.80 . . . . . . . 112 . . . 6196 1 942 . 1 1 126 126 TRP HB3 H 1 3.21 . . . . . . . 112 . . . 6196 1 943 . 1 1 126 126 TRP HD1 H 1 6.09 . . . . . . . 112 . . . 6196 1 944 . 1 1 126 126 TRP HE1 H 1 10.39 . . . . . . . 112 . . . 6196 1 945 . 1 1 126 126 TRP HZ2 H 1 6.87 . . . . . . . 112 . . . 6196 1 946 . 1 1 126 126 TRP C C 13 174.2 . . . . . . . 112 . . . 6196 1 947 . 1 1 126 126 TRP CA C 13 61.53 . . . . . . . 112 . . . 6196 1 948 . 1 1 126 126 TRP CB C 13 27.64 . . . . . . . 112 . . . 6196 1 949 . 1 1 126 126 TRP N N 15 126.7 . . . . . . . 112 . . . 6196 1 950 . 1 1 127 127 GLU H H 1 8.27 . . . . . . . 113 . . . 6196 1 951 . 1 1 127 127 GLU HA H 1 3.55 . . . . . . . 113 . . . 6196 1 952 . 1 1 127 127 GLU HB2 H 1 1.38 . . . . . . . 113 . . . 6196 1 953 . 1 1 127 127 GLU HB3 H 1 1.79 . . . . . . . 113 . . . 6196 1 954 . 1 1 127 127 GLU HG2 H 1 2.16 . . . . . . . 113 . . . 6196 1 955 . 1 1 127 127 GLU HG3 H 1 2.28 . . . . . . . 113 . . . 6196 1 956 . 1 1 127 127 GLU C C 13 170.6 . . . . . . . 113 . . . 6196 1 957 . 1 1 127 127 GLU CA C 13 60.01 . . . . . . . 113 . . . 6196 1 958 . 1 1 127 127 GLU CB C 13 29.12 . . . . . . . 113 . . . 6196 1 959 . 1 1 127 127 GLU CG C 13 35.98 . . . . . . . 113 . . . 6196 1 960 . 1 1 127 127 GLU N N 15 118.7 . . . . . . . 113 . . . 6196 1 961 . 1 1 128 128 ALA H H 1 8.35 . . . . . . . 114 . . . 6196 1 962 . 1 1 128 128 ALA HA H 1 4.11 . . . . . . . 114 . . . 6196 1 963 . 1 1 128 128 ALA HB1 H 1 1.49 . . . . . . . 114 . . . 6196 1 964 . 1 1 128 128 ALA HB2 H 1 1.49 . . . . . . . 114 . . . 6196 1 965 . 1 1 128 128 ALA HB3 H 1 1.49 . . . . . . . 114 . . . 6196 1 966 . 1 1 128 128 ALA C C 13 172.4 . . . . . . . 114 . . . 6196 1 967 . 1 1 128 128 ALA CA C 13 54.8 . . . . . . . 114 . . . 6196 1 968 . 1 1 128 128 ALA CB C 13 18.41 . . . . . . . 114 . . . 6196 1 969 . 1 1 128 128 ALA N N 15 121.2 . . . . . . . 114 . . . 6196 1 970 . 1 1 129 129 SER H H 1 7.41 . . . . . . . 115 . . . 6196 1 971 . 1 1 129 129 SER HA H 1 3.85 . . . . . . . 115 . . . 6196 1 972 . 1 1 129 129 SER HB2 H 1 4.46 . . . . . . . 115 . . . 6196 1 973 . 1 1 129 129 SER C C 13 175.5 . . . . . . . 115 . . . 6196 1 974 . 1 1 129 129 SER CA C 13 58.57 . . . . . . . 115 . . . 6196 1 975 . 1 1 129 129 SER CB C 13 63.45 . . . . . . . 115 . . . 6196 1 976 . 1 1 129 129 SER N N 15 109.5 . . . . . . . 115 . . . 6196 1 977 . 1 1 130 130 GLY H H 1 7.73 . . . . . . . 116 . . . 6196 1 978 . 1 1 130 130 GLY HA2 H 1 3.74 . . . . . . . 116 . . . 6196 1 979 . 1 1 130 130 GLY HA3 H 1 4.01 . . . . . . . 116 . . . 6196 1 980 . 1 1 130 130 GLY C C 13 175.9 . . . . . . . 116 . . . 6196 1 981 . 1 1 130 130 GLY CA C 13 44.81 . . . . . . . 116 . . . 6196 1 982 . 1 1 130 130 GLY N N 15 109.0 . . . . . . . 116 . . . 6196 1 983 . 1 1 131 131 LYS H H 1 6.85 . . . . . . . 117 . . . 6196 1 984 . 1 1 131 131 LYS HA H 1 3.96 . . . . . . . 117 . . . 6196 1 985 . 1 1 131 131 LYS HB2 H 1 0.69 . . . . . . . 117 . . . 6196 1 986 . 1 1 131 131 LYS HB3 H 1 0.89 . . . . . . . 117 . . . 6196 1 987 . 1 1 131 131 LYS HG2 H 1 -0.08 . . . . . . . 117 . . . 6196 1 988 . 1 1 131 131 LYS HG3 H 1 -0.60 . . . . . . . 117 . . . 6196 1 989 . 1 1 131 131 LYS C C 13 177.1 . . . . . . . 117 . . . 6196 1 990 . 1 1 131 131 LYS CA C 13 54.22 . . . . . . . 117 . . . 6196 1 991 . 1 1 131 131 LYS CB C 13 27.90 . . . . . . . 117 . . . 6196 1 992 . 1 1 131 131 LYS CG C 13 26.83 . . . . . . . 117 . . . 6196 1 993 . 1 1 131 131 LYS N N 15 119.5 . . . . . . . 117 . . . 6196 1 994 . 1 1 132 132 PRO HD3 H 1 3.60 . . . . . . . 118 . . . 6196 1 995 . 1 1 132 132 PRO C C 13 172.7 . . . . . . . 118 . . . 6196 1 996 . 1 1 132 132 PRO CA C 13 63.85 . . . . . . . 118 . . . 6196 1 997 . 1 1 132 132 PRO CB C 13 32.01 . . . . . . . 118 . . . 6196 1 998 . 1 1 132 132 PRO CD C 13 50.24 . . . . . . . 118 . . . 6196 1 999 . 1 1 133 133 VAL H H 1 9.02 . . . . . . . 119 . . . 6196 1 1000 . 1 1 133 133 VAL HA H 1 4.39 . . . . . . . 119 . . . 6196 1 1001 . 1 1 133 133 VAL HB H 1 2.10 . . . . . . . 119 . . . 6196 1 1002 . 1 1 133 133 VAL HG11 H 1 1.13 . . . . . . . 119 . . . 6196 1 1003 . 1 1 133 133 VAL HG12 H 1 1.13 . . . . . . . 119 . . . 6196 1 1004 . 1 1 133 133 VAL HG13 H 1 1.13 . . . . . . . 119 . . . 6196 1 1005 . 1 1 133 133 VAL HG21 H 1 1.09 . . . . . . . 119 . . . 6196 1 1006 . 1 1 133 133 VAL HG22 H 1 1.09 . . . . . . . 119 . . . 6196 1 1007 . 1 1 133 133 VAL HG23 H 1 1.09 . . . . . . . 119 . . . 6196 1 1008 . 1 1 133 133 VAL C C 13 176.9 . . . . . . . 119 . . . 6196 1 1009 . 1 1 133 133 VAL CA C 13 62.55 . . . . . . . 119 . . . 6196 1 1010 . 1 1 133 133 VAL CB C 13 35.92 . . . . . . . 119 . . . 6196 1 1011 . 1 1 133 133 VAL CG1 C 13 22.65 . . . . . . . 119 . . . 6196 1 1012 . 1 1 133 133 VAL CG2 C 13 21.30 . . . . . . . 119 . . . 6196 1 1013 . 1 1 133 133 VAL N N 15 126.8 . . . . . . . 119 . . . 6196 1 1014 . 1 1 134 134 CYS H H 1 9.23 . . . . . . . 120 . . . 6196 1 1015 . 1 1 134 134 CYS HA H 1 4.31 . . . . . . . 120 . . . 6196 1 1016 . 1 1 134 134 CYS HB2 H 1 2.25 . . . . . . . 120 . . . 6196 1 1017 . 1 1 134 134 CYS HB3 H 1 2.56 . . . . . . . 120 . . . 6196 1 1018 . 1 1 134 134 CYS C C 13 172.14 . . . . . . . 120 . . . 6196 1 1019 . 1 1 134 134 CYS CA C 13 59.68 . . . . . . . 120 . . . 6196 1 1020 . 1 1 134 134 CYS CB C 13 30.50 . . . . . . . 120 . . . 6196 1 1021 . 1 1 134 134 CYS N N 15 130.6 . . . . . . . 120 . . . 6196 1 1022 . 1 1 135 135 ARG H H 1 8.51 . . . . . . . 121 . . . 6196 1 1023 . 1 1 135 135 ARG HA H 1 4.43 . . . . . . . 121 . . . 6196 1 1024 . 1 1 135 135 ARG C C 13 174.4 . . . . . . . 121 . . . 6196 1 1025 . 1 1 135 135 ARG CA C 13 54.42 . . . . . . . 121 . . . 6196 1 1026 . 1 1 135 135 ARG N N 15 126.7 . . . . . . . 121 . . . 6196 1 1027 . 1 1 136 136 CYS H H 1 9.01 . . . . . . . 122 . . . 6196 1 1028 . 1 1 136 136 CYS HA H 1 4.66 . . . . . . . 122 . . . 6196 1 1029 . 1 1 136 136 CYS HB2 H 1 3.10 . . . . . . . 122 . . . 6196 1 1030 . 1 1 136 136 CYS HB3 H 1 3.36 . . . . . . . 122 . . . 6196 1 1031 . 1 1 136 136 CYS C C 13 175.52 . . . . . . . 122 . . . 6196 1 1032 . 1 1 136 136 CYS CA C 13 61.04 . . . . . . . 122 . . . 6196 1 1033 . 1 1 136 136 CYS CB C 13 28.77 . . . . . . . 122 . . . 6196 1 1034 . 1 1 136 136 CYS N N 15 123.5 . . . . . . . 122 . . . 6196 1 1035 . 1 1 137 137 ALA H H 1 8.8 . . . . . . . 123 . . . 6196 1 1036 . 1 1 137 137 ALA HA H 1 4.73 . . . . . . . 123 . . . 6196 1 1037 . 1 1 137 137 ALA HB1 H 1 1.39 . . . . . . . 123 . . . 6196 1 1038 . 1 1 137 137 ALA HB2 H 1 1.39 . . . . . . . 123 . . . 6196 1 1039 . 1 1 137 137 ALA HB3 H 1 1.39 . . . . . . . 123 . . . 6196 1 1040 . 1 1 137 137 ALA C C 13 173.2 . . . . . . . 123 . . . 6196 1 1041 . 1 1 137 137 ALA CA C 13 49.98 . . . . . . . 123 . . . 6196 1 1042 . 1 1 137 137 ALA CB C 13 19.56 . . . . . . . 123 . . . 6196 1 1043 . 1 1 137 137 ALA N N 15 122.1 . . . . . . . 123 . . . 6196 1 1044 . 1 1 138 138 GLU H H 1 8.04 . . . . . . . 124 . . . 6196 1 1045 . 1 1 138 138 GLU HA H 1 4.32 . . . . . . . 124 . . . 6196 1 1046 . 1 1 138 138 GLU HB2 H 1 2.08 . . . . . . . 124 . . . 6196 1 1047 . 1 1 138 138 GLU HB3 H 1 2.14 . . . . . . . 124 . . . 6196 1 1048 . 1 1 138 138 GLU HG2 H 1 2.27 . . . . . . . 124 . . . 6196 1 1049 . 1 1 138 138 GLU HG3 H 1 2.40 . . . . . . . 124 . . . 6196 1 1050 . 1 1 138 138 GLU C C 13 175.3 . . . . . . . 124 . . . 6196 1 1051 . 1 1 138 138 GLU CA C 13 56.46 . . . . . . . 124 . . . 6196 1 1052 . 1 1 138 138 GLU N N 15 121.3 . . . . . . . 124 . . . 6196 1 1053 . 1 1 139 139 VAL H H 1 8.35 . . . . . . . 125 . . . 6196 1 1054 . 1 1 139 139 VAL HA H 1 4.11 . . . . . . . 125 . . . 6196 1 1055 . 1 1 139 139 VAL C C 13 176.1 . . . . . . . 125 . . . 6196 1 1056 . 1 1 139 139 VAL CA C 13 59.70 . . . . . . . 125 . . . 6196 1 1057 . 1 1 139 139 VAL N N 15 121.2 . . . . . . . 125 . . . 6196 1 1058 . 1 1 141 141 CYS CA C 13 60.84 . . . . . . . 127 . . . 6196 1 1059 . 1 1 141 141 CYS CB C 13 28.86 . . . . . . . 127 . . . 6196 1 1060 . 1 1 142 142 LYS H H 1 9.02 . . . . . . . 128 . . . 6196 1 1061 . 1 1 142 142 LYS HA H 1 4.38 . . . . . . . 128 . . . 6196 1 1062 . 1 1 142 142 LYS HB2 H 1 1.81 . . . . . . . 128 . . . 6196 1 1063 . 1 1 142 142 LYS HB3 H 1 1.93 . . . . . . . 128 . . . 6196 1 1064 . 1 1 142 142 LYS HG2 H 1 1.79 . . . . . . . 128 . . . 6196 1 1065 . 1 1 142 142 LYS HD2 H 1 1.47 . . . . . . . 128 . . . 6196 1 1066 . 1 1 142 142 LYS C C 13 173.1 . . . . . . . 128 . . . 6196 1 1067 . 1 1 142 142 LYS CA C 13 56.46 . . . . . . . 128 . . . 6196 1 1068 . 1 1 142 142 LYS CB C 13 32.98 . . . . . . . 128 . . . 6196 1 1069 . 1 1 142 142 LYS N N 15 130.5 . . . . . . . 128 . . . 6196 1 1070 . 1 1 143 143 GLY H H 1 9.51 . . . . . . . 129 . . . 6196 1 1071 . 1 1 143 143 GLY HA2 H 1 3.93 . . . . . . . 129 . . . 6196 1 1072 . 1 1 143 143 GLY C C 13 176.5 . . . . . . . 129 . . . 6196 1 1073 . 1 1 143 143 GLY CA C 13 44.86 . . . . . . . 129 . . . 6196 1 1074 . 1 1 143 143 GLY N N 15 113.5 . . . . . . . 129 . . . 6196 1 1075 . 1 1 144 144 ASP H H 1 8.41 . . . . . . . 130 . . . 6196 1 1076 . 1 1 144 144 ASP HA H 1 4.72 . . . . . . . 130 . . . 6196 1 1077 . 1 1 144 144 ASP HB2 H 1 2.71 . . . . . . . 130 . . . 6196 1 1078 . 1 1 144 144 ASP C C 13 174.8 . . . . . . . 130 . . . 6196 1 1079 . 1 1 144 144 ASP CA C 13 54.01 . . . . . . . 130 . . . 6196 1 1080 . 1 1 144 144 ASP CB C 13 41.32 . . . . . . . 130 . . . 6196 1 1081 . 1 1 144 144 ASP N N 15 120.6 . . . . . . . 130 . . . 6196 1 1082 . 1 1 145 145 SER H H 1 8.3 . . . . . . . 131 . . . 6196 1 1083 . 1 1 145 145 SER HA H 1 3.93 . . . . . . . 131 . . . 6196 1 1084 . 1 1 145 145 SER C C 13 176.2 . . . . . . . 131 . . . 6196 1 1085 . 1 1 145 145 SER CA C 13 58.78 . . . . . . . 131 . . . 6196 1 1086 . 1 1 145 145 SER CB C 13 64.18 . . . . . . . 131 . . . 6196 1 1087 . 1 1 145 145 SER N N 15 115.9 . . . . . . . 131 . . . 6196 1 1088 . 1 1 146 146 ALA H H 1 7.77 . . . . . . . 132 . . . 6196 1 1089 . 1 1 146 146 ALA HA H 1 4.51 . . . . . . . 132 . . . 6196 1 1090 . 1 1 146 146 ALA HB1 H 1 1.36 . . . . . . . 132 . . . 6196 1 1091 . 1 1 146 146 ALA HB2 H 1 1.36 . . . . . . . 132 . . . 6196 1 1092 . 1 1 146 146 ALA HB3 H 1 1.36 . . . . . . . 132 . . . 6196 1 1093 . 1 1 146 146 ALA C C 13 169.2 . . . . . . . 132 . . . 6196 1 1094 . 1 1 146 146 ALA CA C 13 53.9 . . . . . . . 132 . . . 6196 1 1095 . 1 1 146 146 ALA N N 15 131.4 . . . . . . . 132 . . . 6196 1 stop_ save_