data_6195 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6195 _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 . . . 6195 2 Jean-Michel Wieruszeski . . . 6195 3 Sahar Hassan . . . 6195 4 Guy Lippens . . . 6195 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6195 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 627 6195 '13C chemical shifts' 392 6195 '15N chemical shifts' 127 6195 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 . 6195 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6196 'CYS131SER mutant' 6195 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6195 _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 . . . 6195 1 2 M. 'Da Costa' . . . 6195 1 3 L. 'De Veylder' . . . 6195 1 4 F. Dewitte . . . 6195 1 5 K. Vandepoele . . . 6195 1 6 Sahar Hassan . . . 6195 1 7 Jean-Michel Wieruszeski . . . 6195 1 8 J. Faure . D. . 6195 1 9 M. 'Von Montagu' . . . 6195 1 10 D. Inze . . . 6195 1 11 Guy Lippens . . . 6195 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CDC25 6195 1 'cell cycle' 6195 1 'zinc binding loop' 6195 1 phosphorylation 6195 1 plant 6195 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CDC25 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CDC25 _Assembly.Entry_ID 6195 _Assembly.ID 1 _Assembly.Name Arath;CDC25 _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 6195 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' 1 $CDC25 . . . native . . . . . 6195 1 2 'ZINC (II) ION' 2 $ZN . . . native . . . . . 6195 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 120 120 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6195 1 2 coordination single . 1 . 1 CYS 122 122 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6195 1 3 coordination single . 1 . 1 CYS 127 127 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6195 1 4 coordination single . 1 . 1 HIS 39 39 ND2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6195 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Arath;CDC25 system 6195 1 CDC25 abbreviation 6195 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Dual-specificity tyrosine phosphatase' 6195 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CDC25 _Entity.Sf_category entity _Entity.Sf_framecode CDC25 _Entity.Entry_ID 6195 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Dual-specificity tyrosine phosphatase' _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 ; MAMARSISYITSTQLLPLHR RPNIAIIDVRDEERNYDGHI AGSLHYASGSFDDKISHLVQ NVKDKDTLVFHSALSQVRGP TCARRLVNYLDEKKEDTGIK NIMILERGFNGWEASGKPVC RCAEVPCKGDCA ; _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 132 _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' _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 . . REF NP_568119 . 'CDC25 [Arabidopsis thaliana]' . . . . . 100.00 146 99.24 99.24 6.04e-73 . . . . 6195 1 . . SWISS-PROT Q8GY31 . 'Dual specificity phosphatase Cdc25 (Arath;CDC25)' . . . . . 100.00 146 99.24 99.24 6.04e-73 . . . . 6195 1 . . GenBank AAM63780 . 'unknown [Arabidopsis thaliana]' . . . . . 98.48 130 99.23 99.23 2.78e-71 . . . . 6195 1 . . GenBank AAO39886 . 'At5g03455 [Arabidopsis thaliana]' . . . . . 100.00 146 99.24 99.24 6.04e-73 . . . . 6195 1 . . DBJ BAC42537 . 'unknown protein [Arabidopsis thaliana]' . . . . . 100.00 146 99.24 99.24 6.04e-73 . . . . 6195 1 . . EMBL CAB83305 . 'putative protein [Arabidopsis thaliana]' . . . . . 100.00 132 99.24 99.24 1.41e-72 . . . . 6195 1 . . BMRB 6196 . 'Dual-specificity tyrosine phosphatase; CYS131SER mutant' . . . . . 100.00 146 99.24 99.24 6.62e-73 . . . . 6195 1 . . PDB 1T3K . 'Nmr Structure Of A Cdc25-Like Dual-Specificity Tyrosine Phosphatase Of Arabidopsis Thaliana' . . . . . 100.00 152 100.00 100.00 2.09e-73 . . . . 6195 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Dual-specificity tyrosine phosphatase' common 6195 1 CDC25 abbreviation 6195 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 1 MET . 6195 1 2 2 ALA . 6195 1 3 3 MET . 6195 1 4 4 ALA . 6195 1 5 5 ARG . 6195 1 6 6 SER . 6195 1 7 7 ILE . 6195 1 8 8 SER . 6195 1 9 9 TYR . 6195 1 10 10 ILE . 6195 1 11 11 THR . 6195 1 12 12 SER . 6195 1 13 13 THR . 6195 1 14 14 GLN . 6195 1 15 15 LEU . 6195 1 16 16 LEU . 6195 1 17 17 PRO . 6195 1 18 18 LEU . 6195 1 19 19 HIS . 6195 1 20 20 ARG . 6195 1 21 21 ARG . 6195 1 22 22 PRO . 6195 1 23 23 ASN . 6195 1 24 24 ILE . 6195 1 25 25 ALA . 6195 1 26 26 ILE . 6195 1 27 27 ILE . 6195 1 28 28 ASP . 6195 1 29 29 VAL . 6195 1 30 30 ARG . 6195 1 31 31 ASP . 6195 1 32 32 GLU . 6195 1 33 33 GLU . 6195 1 34 34 ARG . 6195 1 35 35 ASN . 6195 1 36 36 TYR . 6195 1 37 37 ASP . 6195 1 38 38 GLY . 6195 1 39 39 HIS . 6195 1 40 40 ILE . 6195 1 41 41 ALA . 6195 1 42 42 GLY . 6195 1 43 43 SER . 6195 1 44 44 LEU . 6195 1 45 45 HIS . 6195 1 46 46 TYR . 6195 1 47 47 ALA . 6195 1 48 48 SER . 6195 1 49 49 GLY . 6195 1 50 50 SER . 6195 1 51 51 PHE . 6195 1 52 52 ASP . 6195 1 53 53 ASP . 6195 1 54 54 LYS . 6195 1 55 55 ILE . 6195 1 56 56 SER . 6195 1 57 57 HIS . 6195 1 58 58 LEU . 6195 1 59 59 VAL . 6195 1 60 60 GLN . 6195 1 61 61 ASN . 6195 1 62 62 VAL . 6195 1 63 63 LYS . 6195 1 64 64 ASP . 6195 1 65 65 LYS . 6195 1 66 66 ASP . 6195 1 67 67 THR . 6195 1 68 68 LEU . 6195 1 69 69 VAL . 6195 1 70 70 PHE . 6195 1 71 71 HIS . 6195 1 72 72 SER . 6195 1 73 73 ALA . 6195 1 74 74 LEU . 6195 1 75 75 SER . 6195 1 76 76 GLN . 6195 1 77 77 VAL . 6195 1 78 78 ARG . 6195 1 79 79 GLY . 6195 1 80 80 PRO . 6195 1 81 81 THR . 6195 1 82 82 CYS . 6195 1 83 83 ALA . 6195 1 84 84 ARG . 6195 1 85 85 ARG . 6195 1 86 86 LEU . 6195 1 87 87 VAL . 6195 1 88 88 ASN . 6195 1 89 89 TYR . 6195 1 90 90 LEU . 6195 1 91 91 ASP . 6195 1 92 92 GLU . 6195 1 93 93 LYS . 6195 1 94 94 LYS . 6195 1 95 95 GLU . 6195 1 96 96 ASP . 6195 1 97 97 THR . 6195 1 98 98 GLY . 6195 1 99 99 ILE . 6195 1 100 100 LYS . 6195 1 101 101 ASN . 6195 1 102 102 ILE . 6195 1 103 103 MET . 6195 1 104 104 ILE . 6195 1 105 105 LEU . 6195 1 106 106 GLU . 6195 1 107 107 ARG . 6195 1 108 108 GLY . 6195 1 109 109 PHE . 6195 1 110 110 ASN . 6195 1 111 111 GLY . 6195 1 112 112 TRP . 6195 1 113 113 GLU . 6195 1 114 114 ALA . 6195 1 115 115 SER . 6195 1 116 116 GLY . 6195 1 117 117 LYS . 6195 1 118 118 PRO . 6195 1 119 119 VAL . 6195 1 120 120 CYS . 6195 1 121 121 ARG . 6195 1 122 122 CYS . 6195 1 123 123 ALA . 6195 1 124 124 GLU . 6195 1 125 125 VAL . 6195 1 126 126 PRO . 6195 1 127 127 CYS . 6195 1 128 128 LYS . 6195 1 129 129 GLY . 6195 1 130 130 ASP . 6195 1 131 131 CYS . 6195 1 132 132 ALA . 6195 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 6195 1 . ALA 2 2 6195 1 . MET 3 3 6195 1 . ALA 4 4 6195 1 . ARG 5 5 6195 1 . SER 6 6 6195 1 . ILE 7 7 6195 1 . SER 8 8 6195 1 . TYR 9 9 6195 1 . ILE 10 10 6195 1 . THR 11 11 6195 1 . SER 12 12 6195 1 . THR 13 13 6195 1 . GLN 14 14 6195 1 . LEU 15 15 6195 1 . LEU 16 16 6195 1 . PRO 17 17 6195 1 . LEU 18 18 6195 1 . HIS 19 19 6195 1 . ARG 20 20 6195 1 . ARG 21 21 6195 1 . PRO 22 22 6195 1 . ASN 23 23 6195 1 . ILE 24 24 6195 1 . ALA 25 25 6195 1 . ILE 26 26 6195 1 . ILE 27 27 6195 1 . ASP 28 28 6195 1 . VAL 29 29 6195 1 . ARG 30 30 6195 1 . ASP 31 31 6195 1 . GLU 32 32 6195 1 . GLU 33 33 6195 1 . ARG 34 34 6195 1 . ASN 35 35 6195 1 . TYR 36 36 6195 1 . ASP 37 37 6195 1 . GLY 38 38 6195 1 . HIS 39 39 6195 1 . ILE 40 40 6195 1 . ALA 41 41 6195 1 . GLY 42 42 6195 1 . SER 43 43 6195 1 . LEU 44 44 6195 1 . HIS 45 45 6195 1 . TYR 46 46 6195 1 . ALA 47 47 6195 1 . SER 48 48 6195 1 . GLY 49 49 6195 1 . SER 50 50 6195 1 . PHE 51 51 6195 1 . ASP 52 52 6195 1 . ASP 53 53 6195 1 . LYS 54 54 6195 1 . ILE 55 55 6195 1 . SER 56 56 6195 1 . HIS 57 57 6195 1 . LEU 58 58 6195 1 . VAL 59 59 6195 1 . GLN 60 60 6195 1 . ASN 61 61 6195 1 . VAL 62 62 6195 1 . LYS 63 63 6195 1 . ASP 64 64 6195 1 . LYS 65 65 6195 1 . ASP 66 66 6195 1 . THR 67 67 6195 1 . LEU 68 68 6195 1 . VAL 69 69 6195 1 . PHE 70 70 6195 1 . HIS 71 71 6195 1 . SER 72 72 6195 1 . ALA 73 73 6195 1 . LEU 74 74 6195 1 . SER 75 75 6195 1 . GLN 76 76 6195 1 . VAL 77 77 6195 1 . ARG 78 78 6195 1 . GLY 79 79 6195 1 . PRO 80 80 6195 1 . THR 81 81 6195 1 . CYS 82 82 6195 1 . ALA 83 83 6195 1 . ARG 84 84 6195 1 . ARG 85 85 6195 1 . LEU 86 86 6195 1 . VAL 87 87 6195 1 . ASN 88 88 6195 1 . TYR 89 89 6195 1 . LEU 90 90 6195 1 . ASP 91 91 6195 1 . GLU 92 92 6195 1 . LYS 93 93 6195 1 . LYS 94 94 6195 1 . GLU 95 95 6195 1 . ASP 96 96 6195 1 . THR 97 97 6195 1 . GLY 98 98 6195 1 . ILE 99 99 6195 1 . LYS 100 100 6195 1 . ASN 101 101 6195 1 . ILE 102 102 6195 1 . MET 103 103 6195 1 . ILE 104 104 6195 1 . LEU 105 105 6195 1 . GLU 106 106 6195 1 . ARG 107 107 6195 1 . GLY 108 108 6195 1 . PHE 109 109 6195 1 . ASN 110 110 6195 1 . GLY 111 111 6195 1 . TRP 112 112 6195 1 . GLU 113 113 6195 1 . ALA 114 114 6195 1 . SER 115 115 6195 1 . GLY 116 116 6195 1 . LYS 117 117 6195 1 . PRO 118 118 6195 1 . VAL 119 119 6195 1 . CYS 120 120 6195 1 . ARG 121 121 6195 1 . CYS 122 122 6195 1 . ALA 123 123 6195 1 . GLU 124 124 6195 1 . VAL 125 125 6195 1 . PRO 126 126 6195 1 . CYS 127 127 6195 1 . LYS 128 128 6195 1 . GLY 129 129 6195 1 . ASP 130 130 6195 1 . CYS 131 131 6195 1 . ALA 132 132 6195 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6195 _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 . 6195 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 6195 _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 . . . . . . . . . . . . . . . . . . . . . 6195 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 6195 _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 . . . . . . 6195 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 6195 _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 15:04:17 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 [Zn+2] SMILES ACDLabs 10.04 6195 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6195 ZN [Zn++] SMILES CACTVS 3.341 6195 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6195 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6195 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 6195 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6195 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 6195 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6195 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 . 6195 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6195 _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' '[U-90% 15N]' . . 1 $CDC25 . . 400 . . uM . . . . 6195 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6195 _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' '[U-95% 13C; U-90% 15N]' . . 1 $CDC25 . . 400 . . uM . . . . 6195 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6195 _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' '[U-95% 13C]' . . 1 $CDC25 . . 400 . . uM . . . . 6195 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6195 _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' [15N]-Lys . . 1 $CDC25 . . 250 . . uM . . . . 6195 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 6195 _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 6195 1 temperature 293 1 K 6195 1 stop_ save_ ############################ # Computer software used # ############################ save_UXNMR _Software.Sf_category software _Software.Sf_framecode UXNMR _Software.Entry_ID 6195 _Software.ID 1 _Software.Name UXNMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data acquisition' 6195 1 stop_ save_ save_SNARF _Software.Sf_category software _Software.Sf_framecode SNARF _Software.Entry_ID 6195 _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' 6195 2 'peak picking (in-house development)' 6195 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 6195 _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 6195 _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 6195 _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 . . . 6195 1 2 NMR_spectrometer_2 Bruker Avance . 800 . . . 6195 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 6195 _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 . . . . . . . . . . . . . . . . . . . . . 6195 1 2 '1H-13C NOESY' . . . . . . . . . . . . . . . . 1 $cond-1 . . . . . . . . . . . . . . . . . . . . . 6195 1 3 HNCA . . . . . . . . . . . . . . . . 1 $cond-1 . . . . . . . . . . . . . . . . . . . . . 6195 1 4 HNCO . . . . . . . . . . . . . . . . 1 $cond-1 . . . . . . . . . . . . . . . . . . . . . 6195 1 5 HN(CA)CO . . . . . . . . . . . . . . . . 1 $cond-1 . . . . . . . . . . . . . . . . . . . . . 6195 1 6 CBCANH . . . . . . . . . . . . . . . . 1 $cond-1 . . . . . . . . . . . . . . . . . . . . . 6195 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 6195 _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 H 1 d4-TSPA 'methyl protons' . . . . ppm 0.00 internal direct 1.0 internal . . 1 $entry_citation . . 1 $entry_citation 6195 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6195 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6195 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 6195 _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 . 6195 1 . . 2 $sample_2 . 6195 1 . . 3 $sample_3 . 6195 1 . . 4 $sample_4 . 6195 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 55.41 . . . . . . . 1 . . . 6195 1 2 . 1 1 1 1 MET CB C 13 32.65 . . . . . . . 1 . . . 6195 1 3 . 1 1 2 2 ALA H H 1 8.30 . . . . . . . 2 . . . 6195 1 4 . 1 1 2 2 ALA HA H 1 4.28 . . . . . . . 2 . . . 6195 1 5 . 1 1 2 2 ALA HB1 H 1 1.39 . . . . . . . 2 . . . 6195 1 6 . 1 1 2 2 ALA HB2 H 1 1.39 . . . . . . . 2 . . . 6195 1 7 . 1 1 2 2 ALA HB3 H 1 1.39 . . . . . . . 2 . . . 6195 1 8 . 1 1 2 2 ALA C C 13 174.9 . . . . . . . 2 . . . 6195 1 9 . 1 1 2 2 ALA CA C 13 52.48 . . . . . . . 2 . . . 6195 1 10 . 1 1 2 2 ALA CB C 13 19.13 . . . . . . . 2 . . . 6195 1 11 . 1 1 2 2 ALA N N 15 125.0 . . . . . . . 2 . . . 6195 1 12 . 1 1 3 3 MET H H 1 8.35 . . . . . . . 3 . . . 6195 1 13 . 1 1 3 3 MET HA H 1 4.44 . . . . . . . 3 . . . 6195 1 14 . 1 1 3 3 MET C C 13 173.3 . . . . . . . 3 . . . 6195 1 15 . 1 1 3 3 MET CA C 13 55.58 . . . . . . . 3 . . . 6195 1 16 . 1 1 3 3 MET CB C 13 32.97 . . . . . . . 3 . . . 6195 1 17 . 1 1 3 3 MET N N 15 119.5 . . . . . . . 3 . . . 6195 1 18 . 1 1 4 4 ALA H H 1 8.35 . . . . . . . 4 . . . 6195 1 19 . 1 1 4 4 ALA HA H 1 4.31 . . . . . . . 4 . . . 6195 1 20 . 1 1 4 4 ALA C C 13 174.7 . . . . . . . 4 . . . 6195 1 21 . 1 1 4 4 ALA CA C 13 52.40 . . . . . . . 4 . . . 6195 1 22 . 1 1 4 4 ALA CB C 13 19.17 . . . . . . . 4 . . . 6195 1 23 . 1 1 4 4 ALA N N 15 125.4 . . . . . . . 4 . . . 6195 1 24 . 1 1 5 5 ARG H H 1 8.48 . . . . . . . 5 . . . 6195 1 25 . 1 1 5 5 ARG HA H 1 4.40 . . . . . . . 5 . . . 6195 1 26 . 1 1 5 5 ARG C C 13 173.3 . . . . . . . 5 . . . 6195 1 27 . 1 1 5 5 ARG CA C 13 56.44 . . . . . . . 5 . . . 6195 1 28 . 1 1 5 5 ARG CB C 13 31.08 . . . . . . . 5 . . . 6195 1 29 . 1 1 5 5 ARG N N 15 120.2 . . . . . . . 5 . . . 6195 1 30 . 1 1 6 6 SER H H 1 8.26 . . . . . . . 6 . . . 6195 1 31 . 1 1 6 6 SER HA H 1 4.59 . . . . . . . 6 . . . 6195 1 32 . 1 1 6 6 SER HB2 H 1 3.87 . . . . . . . 6 . . . 6195 1 33 . 1 1 6 6 SER C C 13 174.9 . . . . . . . 6 . . . 6195 1 34 . 1 1 6 6 SER CA C 13 58.10 . . . . . . . 6 . . . 6195 1 35 . 1 1 6 6 SER CB C 13 64.71 . . . . . . . 6 . . . 6195 1 36 . 1 1 6 6 SER N N 15 116.4 . . . . . . . 6 . . . 6195 1 37 . 1 1 7 7 ILE H H 1 8.31 . . . . . . . 7 . . . 6195 1 38 . 1 1 7 7 ILE HA H 1 4.58 . . . . . . . 7 . . . 6195 1 39 . 1 1 7 7 ILE HB H 1 1.56 . . . . . . . 7 . . . 6195 1 40 . 1 1 7 7 ILE HD11 H 1 0.62 . . . . . . . 7 . . . 6195 1 41 . 1 1 7 7 ILE HD12 H 1 0.62 . . . . . . . 7 . . . 6195 1 42 . 1 1 7 7 ILE HD13 H 1 0.62 . . . . . . . 7 . . . 6195 1 43 . 1 1 7 7 ILE C C 13 176.9 . . . . . . . 7 . . . 6195 1 44 . 1 1 7 7 ILE CA C 13 61.70 . . . . . . . 7 . . . 6195 1 45 . 1 1 7 7 ILE N N 15 123.2 . . . . . . . 7 . . . 6195 1 46 . 1 1 8 8 SER H H 1 8.19 . . . . . . . 8 . . . 6195 1 47 . 1 1 8 8 SER HA H 1 4.90 . . . . . . . 8 . . . 6195 1 48 . 1 1 8 8 SER HB2 H 1 3.97 . . . . . . . 8 . . . 6195 1 49 . 1 1 8 8 SER C C 13 174.9 . . . . . . . 8 . . . 6195 1 50 . 1 1 8 8 SER CA C 13 57.50 . . . . . . . 8 . . . 6195 1 51 . 1 1 8 8 SER CB C 13 65.65 . . . . . . . 8 . . . 6195 1 52 . 1 1 8 8 SER N N 15 121.6 . . . . . . . 8 . . . 6195 1 53 . 1 1 9 9 TYR H H 1 8.93 . . . . . . . 9 . . . 6195 1 54 . 1 1 9 9 TYR HA H 1 5.46 . . . . . . . 9 . . . 6195 1 55 . 1 1 9 9 TYR HB2 H 1 2.98 . . . . . . . 9 . . . 6195 1 56 . 1 1 9 9 TYR HD1 H 1 7.10 . . . . . . . 9 . . . 6195 1 57 . 1 1 9 9 TYR HE1 H 1 6.81 . . . . . . . 9 . . . 6195 1 58 . 1 1 9 9 TYR C C 13 177.8 . . . . . . . 9 . . . 6195 1 59 . 1 1 9 9 TYR CA C 13 58.03 . . . . . . . 9 . . . 6195 1 60 . 1 1 9 9 TYR CB C 13 41.16 . . . . . . . 9 . . . 6195 1 61 . 1 1 9 9 TYR N N 15 119.5 . . . . . . . 9 . . . 6195 1 62 . 1 1 10 10 ILE H H 1 9.07 . . . . . . . 10 . . . 6195 1 63 . 1 1 10 10 ILE HA H 1 4.92 . . . . . . . 10 . . . 6195 1 64 . 1 1 10 10 ILE HB H 1 1.88 . . . . . . . 10 . . . 6195 1 65 . 1 1 10 10 ILE HG12 H 1 1.54 . . . . . . . 10 . . . 6195 1 66 . 1 1 10 10 ILE HD11 H 1 0.82 . . . . . . . 10 . . . 6195 1 67 . 1 1 10 10 ILE HD12 H 1 0.82 . . . . . . . 10 . . . 6195 1 68 . 1 1 10 10 ILE HD13 H 1 0.82 . . . . . . . 10 . . . 6195 1 69 . 1 1 10 10 ILE C C 13 175.3 . . . . . . . 10 . . . 6195 1 70 . 1 1 10 10 ILE CA C 13 59.54 . . . . . . . 10 . . . 6195 1 71 . 1 1 10 10 ILE CB C 13 42.37 . . . . . . . 10 . . . 6195 1 72 . 1 1 10 10 ILE N N 15 120.8 . . . . . . . 10 . . . 6195 1 73 . 1 1 11 11 THR H H 1 8.56 . . . . . . . 11 . . . 6195 1 74 . 1 1 11 11 THR HA H 1 4.93 . . . . . . . 11 . . . 6195 1 75 . 1 1 11 11 THR HB H 1 4.89 . . . . . . . 11 . . . 6195 1 76 . 1 1 11 11 THR HG21 H 1 1.36 . . . . . . . 11 . . . 6195 1 77 . 1 1 11 11 THR HG22 H 1 1.36 . . . . . . . 11 . . . 6195 1 78 . 1 1 11 11 THR HG23 H 1 1.36 . . . . . . . 11 . . . 6195 1 79 . 1 1 11 11 THR C C 13 176.8 . . . . . . . 11 . . . 6195 1 80 . 1 1 11 11 THR CA C 13 61.28 . . . . . . . 11 . . . 6195 1 81 . 1 1 11 11 THR CB C 13 71.54 . . . . . . . 11 . . . 6195 1 82 . 1 1 11 11 THR CG2 C 13 21.57 . . . . . . . 11 . . . 6195 1 83 . 1 1 11 11 THR N N 15 116.4 . . . . . . . 11 . . . 6195 1 84 . 1 1 12 12 SER H H 1 9.56 . . . . . . . 12 . . . 6195 1 85 . 1 1 12 12 SER C C 13 174.2 . . . . . . . 12 . . . 6195 1 86 . 1 1 12 12 SER CA C 13 64.54 . . . . . . . 12 . . . 6195 1 87 . 1 1 12 12 SER CB C 13 61.84 . . . . . . . 12 . . . 6195 1 88 . 1 1 12 12 SER N N 15 117.9 . . . . . . . 12 . . . 6195 1 89 . 1 1 13 13 THR H H 1 7.98 . . . . . . . 13 . . . 6195 1 90 . 1 1 13 13 THR HA H 1 4.05 . . . . . . . 13 . . . 6195 1 91 . 1 1 13 13 THR HB H 1 3.70 . . . . . . . 13 . . . 6195 1 92 . 1 1 13 13 THR HG21 H 1 1.20 . . . . . . . 13 . . . 6195 1 93 . 1 1 13 13 THR HG22 H 1 1.20 . . . . . . . 13 . . . 6195 1 94 . 1 1 13 13 THR HG23 H 1 1.20 . . . . . . . 13 . . . 6195 1 95 . 1 1 13 13 THR C C 13 174.3 . . . . . . . 13 . . . 6195 1 96 . 1 1 13 13 THR CA C 13 68.32 . . . . . . . 13 . . . 6195 1 97 . 1 1 13 13 THR CB C 13 66.95 . . . . . . . 13 . . . 6195 1 98 . 1 1 13 13 THR CG2 C 13 21.78 . . . . . . . 13 . . . 6195 1 99 . 1 1 13 13 THR N N 15 119.1 . . . . . . . 13 . . . 6195 1 100 . 1 1 14 14 GLN H H 1 7.62 . . . . . . . 14 . . . 6195 1 101 . 1 1 14 14 GLN HA H 1 4.08 . . . . . . . 14 . . . 6195 1 102 . 1 1 14 14 GLN HB2 H 1 1.94 . . . . . . . 14 . . . 6195 1 103 . 1 1 14 14 GLN HG2 H 1 2.43 . . . . . . . 14 . . . 6195 1 104 . 1 1 14 14 GLN C C 13 174.7 . . . . . . . 14 . . . 6195 1 105 . 1 1 14 14 GLN CA C 13 58.34 . . . . . . . 14 . . . 6195 1 106 . 1 1 14 14 GLN CB C 13 29.18 . . . . . . . 14 . . . 6195 1 107 . 1 1 14 14 GLN N N 15 119.7 . . . . . . . 14 . . . 6195 1 108 . 1 1 15 15 LEU H H 1 8.57 . . . . . . . 15 . . . 6195 1 109 . 1 1 15 15 LEU HA H 1 4.12 . . . . . . . 15 . . . 6195 1 110 . 1 1 15 15 LEU HB2 H 1 1.52 . . . . . . . 15 . . . 6195 1 111 . 1 1 15 15 LEU HD11 H 1 0.84 . . . . . . . 15 . . . 6195 1 112 . 1 1 15 15 LEU HD12 H 1 0.84 . . . . . . . 15 . . . 6195 1 113 . 1 1 15 15 LEU HD13 H 1 0.84 . . . . . . . 15 . . . 6195 1 114 . 1 1 15 15 LEU HD21 H 1 0.79 . . . . . . . 15 . . . 6195 1 115 . 1 1 15 15 LEU HD22 H 1 0.79 . . . . . . . 15 . . . 6195 1 116 . 1 1 15 15 LEU HD23 H 1 0.79 . . . . . . . 15 . . . 6195 1 117 . 1 1 15 15 LEU C C 13 172.6 . . . . . . . 15 . . . 6195 1 118 . 1 1 15 15 LEU CA C 13 61.28 . . . . . . . 15 . . . 6195 1 119 . 1 1 15 15 LEU CB C 13 42.23 . . . . . . . 15 . . . 6195 1 120 . 1 1 15 15 LEU N N 15 117.0 . . . . . . . 15 . . . 6195 1 121 . 1 1 16 16 LEU H H 1 8.13 . . . . . . . 16 . . . 6195 1 122 . 1 1 16 16 LEU HA H 1 4.51 . . . . . . . 16 . . . 6195 1 123 . 1 1 16 16 LEU CA C 13 62.00 . . . . . . . 16 . . . 6195 1 124 . 1 1 16 16 LEU N N 15 120.5 . . . . . . . 16 . . . 6195 1 125 . 1 1 17 17 PRO C C 13 173.5 . . . . . . . 17 . . . 6195 1 126 . 1 1 17 17 PRO CA C 13 66.89 . . . . . . . 17 . . . 6195 1 127 . 1 1 17 17 PRO CB C 13 31.13 . . . . . . . 17 . . . 6195 1 128 . 1 1 18 18 LEU H H 1 7.44 . . . . . . . 18 . . . 6195 1 129 . 1 1 18 18 LEU HA H 1 4.44 . . . . . . . 18 . . . 6195 1 130 . 1 1 18 18 LEU HB2 H 1 1.85 . . . . . . . 18 . . . 6195 1 131 . 1 1 18 18 LEU HG H 1 1.66 . . . . . . . 18 . . . 6195 1 132 . 1 1 18 18 LEU HD11 H 1 0.85 . . . . . . . 18 . . . 6195 1 133 . 1 1 18 18 LEU HD12 H 1 0.85 . . . . . . . 18 . . . 6195 1 134 . 1 1 18 18 LEU HD13 H 1 0.85 . . . . . . . 18 . . . 6195 1 135 . 1 1 18 18 LEU C C 13 171.0 . . . . . . . 18 . . . 6195 1 136 . 1 1 18 18 LEU CA C 13 55.17 . . . . . . . 18 . . . 6195 1 137 . 1 1 18 18 LEU N N 15 116.3 . . . . . . . 18 . . . 6195 1 138 . 1 1 19 19 HIS H H 1 7.84 . . . . . . . 19 . . . 6195 1 139 . 1 1 19 19 HIS HA H 1 4.06 . . . . . . . 19 . . . 6195 1 140 . 1 1 19 19 HIS HB2 H 1 3.15 . . . . . . . 19 . . . 6195 1 141 . 1 1 19 19 HIS HB3 H 1 3.35 . . . . . . . 19 . . . 6195 1 142 . 1 1 19 19 HIS HD1 H 1 6.92 . . . . . . . 19 . . . 6195 1 143 . 1 1 19 19 HIS C C 13 176.7 . . . . . . . 19 . . . 6195 1 144 . 1 1 19 19 HIS CA C 13 61.77 . . . . . . . 19 . . . 6195 1 145 . 1 1 19 19 HIS CB C 13 28.44 . . . . . . . 19 . . . 6195 1 146 . 1 1 19 19 HIS N N 15 113.9 . . . . . . . 19 . . . 6195 1 147 . 1 1 20 20 ARG H H 1 8.25 . . . . . . . 20 . . . 6195 1 148 . 1 1 20 20 ARG HA H 1 4.51 . . . . . . . 20 . . . 6195 1 149 . 1 1 20 20 ARG C C 13 173.9 . . . . . . . 20 . . . 6195 1 150 . 1 1 20 20 ARG CA C 13 53.20 . . . . . . . 20 . . . 6195 1 151 . 1 1 20 20 ARG CB C 13 28.01 . . . . . . . 20 . . . 6195 1 152 . 1 1 20 20 ARG N N 15 117.2 . . . . . . . 20 . . . 6195 1 153 . 1 1 21 21 ARG H H 1 7.88 . . . . . . . 21 . . . 6195 1 154 . 1 1 21 21 ARG HA H 1 4.43 . . . . . . . 21 . . . 6195 1 155 . 1 1 21 21 ARG C C 13 174.0 . . . . . . . 21 . . . 6195 1 156 . 1 1 21 21 ARG CA C 13 55.13 . . . . . . . 21 . . . 6195 1 157 . 1 1 21 21 ARG N N 15 122.8 . . . . . . . 21 . . . 6195 1 158 . 1 1 22 22 PRO HA H 1 4.44 . . . . . . . 22 . . . 6195 1 159 . 1 1 22 22 PRO HB2 H 1 1.72 . . . . . . . 22 . . . 6195 1 160 . 1 1 22 22 PRO HG2 H 1 2.38 . . . . . . . 22 . . . 6195 1 161 . 1 1 22 22 PRO HD2 H 1 3.93 . . . . . . . 22 . . . 6195 1 162 . 1 1 22 22 PRO HD3 H 1 3.78 . . . . . . . 22 . . . 6195 1 163 . 1 1 22 22 PRO C C 13 174.2 . . . . . . . 22 . . . 6195 1 164 . 1 1 22 22 PRO CB C 13 31.86 . . . . . . . 22 . . . 6195 1 165 . 1 1 22 22 PRO CD C 13 50.7 . . . . . . . 22 . . . 6195 1 166 . 1 1 23 23 ASN H H 1 8.34 . . . . . . . 23 . . . 6195 1 167 . 1 1 23 23 ASN HA H 1 4.85 . . . . . . . 23 . . . 6195 1 168 . 1 1 23 23 ASN HB2 H 1 2.58 . . . . . . . 23 . . . 6195 1 169 . 1 1 23 23 ASN HB3 H 1 3.24 . . . . . . . 23 . . . 6195 1 170 . 1 1 23 23 ASN HD21 H 1 8.97 . . . . . . . 23 . . . 6195 1 171 . 1 1 23 23 ASN HD22 H 1 6.86 . . . . . . . 23 . . . 6195 1 172 . 1 1 23 23 ASN C C 13 177.4 . . . . . . . 23 . . . 6195 1 173 . 1 1 23 23 ASN CA C 13 54.29 . . . . . . . 23 . . . 6195 1 174 . 1 1 23 23 ASN CB C 13 37.43 . . . . . . . 23 . . . 6195 1 175 . 1 1 23 23 ASN N N 15 111.4 . . . . . . . 23 . . . 6195 1 176 . 1 1 23 23 ASN ND2 N 15 118.8 . . . . . . . 23 . . . 6195 1 177 . 1 1 24 24 ILE H H 1 7.38 . . . . . . . 24 . . . 6195 1 178 . 1 1 24 24 ILE HA H 1 4.99 . . . . . . . 24 . . . 6195 1 179 . 1 1 24 24 ILE HB H 1 1.75 . . . . . . . 24 . . . 6195 1 180 . 1 1 24 24 ILE HG12 H 1 1.03 . . . . . . . 24 . . . 6195 1 181 . 1 1 24 24 ILE HG13 H 1 1.57 . . . . . . . 24 . . . 6195 1 182 . 1 1 24 24 ILE HG21 H 1 0.72 . . . . . . . 24 . . . 6195 1 183 . 1 1 24 24 ILE HG22 H 1 0.72 . . . . . . . 24 . . . 6195 1 184 . 1 1 24 24 ILE HG23 H 1 0.72 . . . . . . . 24 . . . 6195 1 185 . 1 1 24 24 ILE HD11 H 1 0.80 . . . . . . . 24 . . . 6195 1 186 . 1 1 24 24 ILE HD12 H 1 0.80 . . . . . . . 24 . . . 6195 1 187 . 1 1 24 24 ILE HD13 H 1 0.80 . . . . . . . 24 . . . 6195 1 188 . 1 1 24 24 ILE C C 13 175.5 . . . . . . . 24 . . . 6195 1 189 . 1 1 24 24 ILE CA C 13 59.71 . . . . . . . 24 . . . 6195 1 190 . 1 1 24 24 ILE CB C 13 40.19 . . . . . . . 24 . . . 6195 1 191 . 1 1 24 24 ILE CG1 C 13 27.94 . . . . . . . 24 . . . 6195 1 192 . 1 1 24 24 ILE CG2 C 13 16.86 . . . . . . . 24 . . . 6195 1 193 . 1 1 24 24 ILE CD1 C 13 13.60 . . . . . . . 24 . . . 6195 1 194 . 1 1 24 24 ILE N N 15 120.3 . . . . . . . 24 . . . 6195 1 195 . 1 1 25 25 ALA H H 1 8.57 . . . . . . . 25 . . . 6195 1 196 . 1 1 25 25 ALA HA H 1 4.92 . . . . . . . 25 . . . 6195 1 197 . 1 1 25 25 ALA HB1 H 1 1.18 . . . . . . . 25 . . . 6195 1 198 . 1 1 25 25 ALA HB2 H 1 1.18 . . . . . . . 25 . . . 6195 1 199 . 1 1 25 25 ALA HB3 H 1 1.18 . . . . . . . 25 . . . 6195 1 200 . 1 1 25 25 ALA C C 13 175.5 . . . . . . . 25 . . . 6195 1 201 . 1 1 25 25 ALA CA C 13 49.64 . . . . . . . 25 . . . 6195 1 202 . 1 1 25 25 ALA CB C 13 22.19 . . . . . . . 25 . . . 6195 1 203 . 1 1 25 25 ALA N N 15 127.2 . . . . . . . 25 . . . 6195 1 204 . 1 1 26 26 ILE H H 1 9.10 . . . . . . . 26 . . . 6195 1 205 . 1 1 26 26 ILE HA H 1 4.67 . . . . . . . 26 . . . 6195 1 206 . 1 1 26 26 ILE HB H 1 1.60 . . . . . . . 26 . . . 6195 1 207 . 1 1 26 26 ILE HG12 H 1 1.06 . . . . . . . 26 . . . 6195 1 208 . 1 1 26 26 ILE HG21 H 1 0.64 . . . . . . . 26 . . . 6195 1 209 . 1 1 26 26 ILE HG22 H 1 0.64 . . . . . . . 26 . . . 6195 1 210 . 1 1 26 26 ILE HG23 H 1 0.64 . . . . . . . 26 . . . 6195 1 211 . 1 1 26 26 ILE HD11 H 1 0.74 . . . . . . . 26 . . . 6195 1 212 . 1 1 26 26 ILE HD12 H 1 0.74 . . . . . . . 26 . . . 6195 1 213 . 1 1 26 26 ILE HD13 H 1 0.74 . . . . . . . 26 . . . 6195 1 214 . 1 1 26 26 ILE C C 13 176.8 . . . . . . . 26 . . . 6195 1 215 . 1 1 26 26 ILE CA C 13 60.04 . . . . . . . 26 . . . 6195 1 216 . 1 1 26 26 ILE CB C 13 38.14 . . . . . . . 26 . . . 6195 1 217 . 1 1 26 26 ILE N N 15 123.8 . . . . . . . 26 . . . 6195 1 218 . 1 1 27 27 ILE H H 1 9.3 . . . . . . . 27 . . . 6195 1 219 . 1 1 27 27 ILE HA H 1 4.26 . . . . . . . 27 . . . 6195 1 220 . 1 1 27 27 ILE HG12 H 1 0.55 . . . . . . . 27 . . . 6195 1 221 . 1 1 27 27 ILE HG21 H 1 0.34 . . . . . . . 27 . . . 6195 1 222 . 1 1 27 27 ILE HG22 H 1 0.34 . . . . . . . 27 . . . 6195 1 223 . 1 1 27 27 ILE HG23 H 1 0.34 . . . . . . . 27 . . . 6195 1 224 . 1 1 27 27 ILE HD11 H 1 0.88 . . . . . . . 27 . . . 6195 1 225 . 1 1 27 27 ILE HD12 H 1 0.88 . . . . . . . 27 . . . 6195 1 226 . 1 1 27 27 ILE HD13 H 1 0.88 . . . . . . . 27 . . . 6195 1 227 . 1 1 27 27 ILE C C 13 177.7 . . . . . . . 27 . . . 6195 1 228 . 1 1 27 27 ILE CA C 13 59.12 . . . . . . . 27 . . . 6195 1 229 . 1 1 27 27 ILE CB C 13 35.84 . . . . . . . 27 . . . 6195 1 230 . 1 1 27 27 ILE N N 15 128.9 . . . . . . . 27 . . . 6195 1 231 . 1 1 28 28 ASP H H 1 8.90 . . . . . . . 28 . . . 6195 1 232 . 1 1 28 28 ASP HB2 H 1 3.09 . . . . . . . 28 . . . 6195 1 233 . 1 1 28 28 ASP C C 13 174.2 . . . . . . . 28 . . . 6195 1 234 . 1 1 28 28 ASP CA C 13 51.23 . . . . . . . 28 . . . 6195 1 235 . 1 1 28 28 ASP CB C 13 42.27 . . . . . . . 28 . . . 6195 1 236 . 1 1 28 28 ASP N N 15 127.8 . . . . . . . 28 . . . 6195 1 237 . 1 1 29 29 VAL H H 1 8.04 . . . . . . . 29 . . . 6195 1 238 . 1 1 29 29 VAL HA H 1 5.42 . . . . . . . 29 . . . 6195 1 239 . 1 1 29 29 VAL HB H 1 2.64 . . . . . . . 29 . . . 6195 1 240 . 1 1 29 29 VAL HG11 H 1 1.09 . . . . . . . 29 . . . 6195 1 241 . 1 1 29 29 VAL HG12 H 1 1.09 . . . . . . . 29 . . . 6195 1 242 . 1 1 29 29 VAL HG13 H 1 1.09 . . . . . . . 29 . . . 6195 1 243 . 1 1 29 29 VAL HG21 H 1 0.69 . . . . . . . 29 . . . 6195 1 244 . 1 1 29 29 VAL HG22 H 1 0.69 . . . . . . . 29 . . . 6195 1 245 . 1 1 29 29 VAL HG23 H 1 0.69 . . . . . . . 29 . . . 6195 1 246 . 1 1 29 29 VAL C C 13 172.2 . . . . . . . 29 . . . 6195 1 247 . 1 1 29 29 VAL CA C 13 59.70 . . . . . . . 29 . . . 6195 1 248 . 1 1 29 29 VAL CB C 13 30.65 . . . . . . . 29 . . . 6195 1 249 . 1 1 29 29 VAL CG1 C 13 22.00 . . . . . . . 29 . . . 6195 1 250 . 1 1 29 29 VAL N N 15 116.7 . . . . . . . 29 . . . 6195 1 251 . 1 1 30 30 ARG H H 1 7.86 . . . . . . . 30 . . . 6195 1 252 . 1 1 30 30 ARG HA H 1 4.20 . . . . . . . 30 . . . 6195 1 253 . 1 1 30 30 ARG HB2 H 1 1.85 . . . . . . . 30 . . . 6195 1 254 . 1 1 30 30 ARG HG2 H 1 2.03 . . . . . . . 30 . . . 6195 1 255 . 1 1 30 30 ARG HD2 H 1 3.35 . . . . . . . 30 . . . 6195 1 256 . 1 1 30 30 ARG HD3 H 1 3.45 . . . . . . . 30 . . . 6195 1 257 . 1 1 30 30 ARG C C 13 176.5 . . . . . . . 30 . . . 6195 1 258 . 1 1 30 30 ARG CA C 13 57.59 . . . . . . . 30 . . . 6195 1 259 . 1 1 30 30 ARG CB C 13 33.32 . . . . . . . 30 . . . 6195 1 260 . 1 1 30 30 ARG N N 15 118.0 . . . . . . . 30 . . . 6195 1 261 . 1 1 31 31 ASP H H 1 7.65 . . . . . . . 31 . . . 6195 1 262 . 1 1 31 31 ASP HA H 1 5.20 . . . . . . . 31 . . . 6195 1 263 . 1 1 31 31 ASP HB2 H 1 2.67 . . . . . . . 31 . . . 6195 1 264 . 1 1 31 31 ASP HB3 H 1 2.87 . . . . . . . 31 . . . 6195 1 265 . 1 1 31 31 ASP C C 13 174.5 . . . . . . . 31 . . . 6195 1 266 . 1 1 31 31 ASP CA C 13 54.21 . . . . . . . 31 . . . 6195 1 267 . 1 1 31 31 ASP CB C 13 42.76 . . . . . . . 31 . . . 6195 1 268 . 1 1 31 31 ASP N N 15 121.9 . . . . . . . 31 . . . 6195 1 269 . 1 1 32 32 GLU H H 1 8.98 . . . . . . . 32 . . . 6195 1 270 . 1 1 32 32 GLU HA H 1 4.05 . . . . . . . 32 . . . 6195 1 271 . 1 1 32 32 GLU HB2 H 1 2.27 . . . . . . . 32 . . . 6195 1 272 . 1 1 32 32 GLU HG2 H 1 2.59 . . . . . . . 32 . . . 6195 1 273 . 1 1 32 32 GLU C C 13 173.8 . . . . . . . 32 . . . 6195 1 274 . 1 1 32 32 GLU CA C 13 59.62 . . . . . . . 32 . . . 6195 1 275 . 1 1 32 32 GLU CB C 13 28.79 . . . . . . . 32 . . . 6195 1 276 . 1 1 32 32 GLU N N 15 123.0 . . . . . . . 32 . . . 6195 1 277 . 1 1 33 33 GLU H H 1 9.87 . . . . . . . 33 . . . 6195 1 278 . 1 1 33 33 GLU HA H 1 4.05 . . . . . . . 33 . . . 6195 1 279 . 1 1 33 33 GLU HB2 H 1 2.17 . . . . . . . 33 . . . 6195 1 280 . 1 1 33 33 GLU HB3 H 1 2.27 . . . . . . . 33 . . . 6195 1 281 . 1 1 33 33 GLU HG2 H 1 2.49 . . . . . . . 33 . . . 6195 1 282 . 1 1 33 33 GLU HG3 H 1 2.59 . . . . . . . 33 . . . 6195 1 283 . 1 1 33 33 GLU C C 13 172.8 . . . . . . . 33 . . . 6195 1 284 . 1 1 33 33 GLU CA C 13 60.23 . . . . . . . 33 . . . 6195 1 285 . 1 1 33 33 GLU CG C 13 36.5 . . . . . . . 33 . . . 6195 1 286 . 1 1 33 33 GLU N N 15 117.9 . . . . . . . 33 . . . 6195 1 287 . 1 1 34 34 ARG H H 1 6.91 . . . . . . . 34 . . . 6195 1 288 . 1 1 34 34 ARG HA H 1 3.58 . . . . . . . 34 . . . 6195 1 289 . 1 1 34 34 ARG HB2 H 1 1.24 . . . . . . . 34 . . . 6195 1 290 . 1 1 34 34 ARG HB3 H 1 1.15 . . . . . . . 34 . . . 6195 1 291 . 1 1 34 34 ARG HG2 H 1 0.68 . . . . . . . 34 . . . 6195 1 292 . 1 1 34 34 ARG HG3 H 1 0.51 . . . . . . . 34 . . . 6195 1 293 . 1 1 34 34 ARG C C 13 172.8 . . . . . . . 34 . . . 6195 1 294 . 1 1 34 34 ARG CA C 13 56.94 . . . . . . . 34 . . . 6195 1 295 . 1 1 34 34 ARG CB C 13 29.54 . . . . . . . 34 . . . 6195 1 296 . 1 1 34 34 ARG N N 15 114.7 . . . . . . . 34 . . . 6195 1 297 . 1 1 35 35 ASN H H 1 7.80 . . . . . . . 35 . . . 6195 1 298 . 1 1 35 35 ASN HA H 1 4.42 . . . . . . . 35 . . . 6195 1 299 . 1 1 35 35 ASN HB2 H 1 2.67 . . . . . . . 35 . . . 6195 1 300 . 1 1 35 35 ASN HD21 H 1 7.41 . . . . . . . 35 . . . 6195 1 301 . 1 1 35 35 ASN C C 13 175.3 . . . . . . . 35 . . . 6195 1 302 . 1 1 35 35 ASN CA C 13 54.73 . . . . . . . 35 . . . 6195 1 303 . 1 1 35 35 ASN CB C 13 38.53 . . . . . . . 35 . . . 6195 1 304 . 1 1 35 35 ASN N N 15 113.9 . . . . . . . 35 . . . 6195 1 305 . 1 1 36 36 TYR H H 1 6.79 . . . . . . . 36 . . . 6195 1 306 . 1 1 36 36 TYR HA H 1 5.00 . . . . . . . 36 . . . 6195 1 307 . 1 1 36 36 TYR HB2 H 1 3.02 . . . . . . . 36 . . . 6195 1 308 . 1 1 36 36 TYR HD1 H 1 7.11 . . . . . . . 36 . . . 6195 1 309 . 1 1 36 36 TYR HE1 H 1 7.41 . . . . . . . 36 . . . 6195 1 310 . 1 1 36 36 TYR C C 13 174.5 . . . . . . . 36 . . . 6195 1 311 . 1 1 36 36 TYR CA C 13 58.41 . . . . . . . 36 . . . 6195 1 312 . 1 1 36 36 TYR N N 15 113.8 . . . . . . . 36 . . . 6195 1 313 . 1 1 37 37 ASP H H 1 8.40 . . . . . . . 37 . . . 6195 1 314 . 1 1 37 37 ASP HA H 1 3.99 . . . . . . . 37 . . . 6195 1 315 . 1 1 37 37 ASP HB2 H 1 2.67 . . . . . . . 37 . . . 6195 1 316 . 1 1 37 37 ASP C C 13 174.1 . . . . . . . 37 . . . 6195 1 317 . 1 1 37 37 ASP CA C 13 54.88 . . . . . . . 37 . . . 6195 1 318 . 1 1 37 37 ASP N N 15 121.9 . . . . . . . 37 . . . 6195 1 319 . 1 1 38 38 GLY H H 1 7.95 . . . . . . . 38 . . . 6195 1 320 . 1 1 38 38 GLY HA2 H 1 3.89 . . . . . . . 38 . . . 6195 1 321 . 1 1 38 38 GLY CA C 13 42.59 . . . . . . . 38 . . . 6195 1 322 . 1 1 38 38 GLY N N 15 104.51 . . . . . . . 38 . . . 6195 1 323 . 1 1 39 39 HIS H H 1 8.59 . . . . . . . 39 . . . 6195 1 324 . 1 1 39 39 HIS HA H 1 4.29 . . . . . . . 39 . . . 6195 1 325 . 1 1 39 39 HIS HB2 H 1 2.92 . . . . . . . 39 . . . 6195 1 326 . 1 1 39 39 HIS C C 13 177.8 . . . . . . . 39 . . . 6195 1 327 . 1 1 39 39 HIS CA C 13 55.48 . . . . . . . 39 . . . 6195 1 328 . 1 1 39 39 HIS CB C 13 31.10 . . . . . . . 39 . . . 6195 1 329 . 1 1 39 39 HIS N N 15 112.3 . . . . . . . 39 . . . 6195 1 330 . 1 1 40 40 ILE H H 1 9.85 . . . . . . . 40 . . . 6195 1 331 . 1 1 40 40 ILE HA H 1 3.82 . . . . . . . 40 . . . 6195 1 332 . 1 1 40 40 ILE HB H 1 1.49 . . . . . . . 40 . . . 6195 1 333 . 1 1 40 40 ILE HG12 H 1 0.88 . . . . . . . 40 . . . 6195 1 334 . 1 1 40 40 ILE HG13 H 1 1.06 . . . . . . . 40 . . . 6195 1 335 . 1 1 40 40 ILE HG21 H 1 0.55 . . . . . . . 40 . . . 6195 1 336 . 1 1 40 40 ILE HG22 H 1 0.55 . . . . . . . 40 . . . 6195 1 337 . 1 1 40 40 ILE HG23 H 1 0.55 . . . . . . . 40 . . . 6195 1 338 . 1 1 40 40 ILE HD11 H 1 -0.60 . . . . . . . 40 . . . 6195 1 339 . 1 1 40 40 ILE HD12 H 1 -0.60 . . . . . . . 40 . . . 6195 1 340 . 1 1 40 40 ILE HD13 H 1 -0.60 . . . . . . . 40 . . . 6195 1 341 . 1 1 40 40 ILE C C 13 173.9 . . . . . . . 40 . . . 6195 1 342 . 1 1 40 40 ILE CA C 13 63.39 . . . . . . . 40 . . . 6195 1 343 . 1 1 40 40 ILE CB C 13 37.99 . . . . . . . 40 . . . 6195 1 344 . 1 1 40 40 ILE CG2 C 13 16.65 . . . . . . . 40 . . . 6195 1 345 . 1 1 40 40 ILE CD1 C 13 11.99 . . . . . . . 40 . . . 6195 1 346 . 1 1 40 40 ILE N N 15 121.3 . . . . . . . 40 . . . 6195 1 347 . 1 1 41 41 ALA H H 1 9.85 . . . . . . . 41 . . . 6195 1 348 . 1 1 41 41 ALA HA H 1 4.62 . . . . . . . 41 . . . 6195 1 349 . 1 1 41 41 ALA HB1 H 1 1.49 . . . . . . . 41 . . . 6195 1 350 . 1 1 41 41 ALA HB2 H 1 1.49 . . . . . . . 41 . . . 6195 1 351 . 1 1 41 41 ALA HB3 H 1 1.49 . . . . . . . 41 . . . 6195 1 352 . 1 1 41 41 ALA C C 13 173.2 . . . . . . . 41 . . . 6195 1 353 . 1 1 41 41 ALA CA C 13 53.78 . . . . . . . 41 . . . 6195 1 354 . 1 1 41 41 ALA CB C 13 19.09 . . . . . . . 41 . . . 6195 1 355 . 1 1 41 41 ALA N N 15 135.4 . . . . . . . 41 . . . 6195 1 356 . 1 1 42 42 GLY H H 1 9.87 . . . . . . . 42 . . . 6195 1 357 . 1 1 42 42 GLY HA2 H 1 3.78 . . . . . . . 42 . . . 6195 1 358 . 1 1 42 42 GLY HA3 H 1 4.2 . . . . . . . 42 . . . 6195 1 359 . 1 1 42 42 GLY C C 13 175.6 . . . . . . . 42 . . . 6195 1 360 . 1 1 42 42 GLY CA C 13 43.87 . . . . . . . 42 . . . 6195 1 361 . 1 1 42 42 GLY N N 15 112.6 . . . . . . . 42 . . . 6195 1 362 . 1 1 43 43 SER H H 1 8.26 . . . . . . . 43 . . . 6195 1 363 . 1 1 43 43 SER HA H 1 4.58 . . . . . . . 43 . . . 6195 1 364 . 1 1 43 43 SER HB2 H 1 3.87 . . . . . . . 43 . . . 6195 1 365 . 1 1 43 43 SER C C 13 176.7 . . . . . . . 43 . . . 6195 1 366 . 1 1 43 43 SER CA C 13 58.90 . . . . . . . 43 . . . 6195 1 367 . 1 1 43 43 SER CB C 13 64.91 . . . . . . . 43 . . . 6195 1 368 . 1 1 43 43 SER N N 15 115.0 . . . . . . . 43 . . . 6195 1 369 . 1 1 44 44 LEU H H 1 9.15 . . . . . . . 44 . . . 6195 1 370 . 1 1 44 44 LEU HA H 1 4.56 . . . . . . . 44 . . . 6195 1 371 . 1 1 44 44 LEU HB2 H 1 1.62 . . . . . . . 44 . . . 6195 1 372 . 1 1 44 44 LEU HB3 H 1 1.87 . . . . . . . 44 . . . 6195 1 373 . 1 1 44 44 LEU HD11 H 1 0.90 . . . . . . . 44 . . . 6195 1 374 . 1 1 44 44 LEU HD12 H 1 0.90 . . . . . . . 44 . . . 6195 1 375 . 1 1 44 44 LEU HD13 H 1 0.90 . . . . . . . 44 . . . 6195 1 376 . 1 1 44 44 LEU HD21 H 1 0.38 . . . . . . . 44 . . . 6195 1 377 . 1 1 44 44 LEU HD22 H 1 0.38 . . . . . . . 44 . . . 6195 1 378 . 1 1 44 44 LEU HD23 H 1 0.38 . . . . . . . 44 . . . 6195 1 379 . 1 1 44 44 LEU C C 13 175.0 . . . . . . . 44 . . . 6195 1 380 . 1 1 44 44 LEU CA C 13 54.04 . . . . . . . 44 . . . 6195 1 381 . 1 1 44 44 LEU CB C 13 43.35 . . . . . . . 44 . . . 6195 1 382 . 1 1 44 44 LEU N N 15 122.8 . . . . . . . 44 . . . 6195 1 383 . 1 1 45 45 HIS H H 1 8.74 . . . . . . . 45 . . . 6195 1 384 . 1 1 45 45 HIS HA H 1 5.47 . . . . . . . 45 . . . 6195 1 385 . 1 1 45 45 HIS HB2 H 1 2.33 . . . . . . . 45 . . . 6195 1 386 . 1 1 45 45 HIS HB3 H 1 3.04 . . . . . . . 45 . . . 6195 1 387 . 1 1 45 45 HIS HD1 H 1 6.72 . . . . . . . 45 . . . 6195 1 388 . 1 1 45 45 HIS C C 13 176.5 . . . . . . . 45 . . . 6195 1 389 . 1 1 45 45 HIS CA C 13 54.00 . . . . . . . 45 . . . 6195 1 390 . 1 1 45 45 HIS CB C 13 32.62 . . . . . . . 45 . . . 6195 1 391 . 1 1 45 45 HIS N N 15 122.9 . . . . . . . 45 . . . 6195 1 392 . 1 1 46 46 TYR H H 1 8.37 . . . . . . . 46 . . . 6195 1 393 . 1 1 46 46 TYR HA H 1 4.05 . . . . . . . 46 . . . 6195 1 394 . 1 1 46 46 TYR HB2 H 1 2.45 . . . . . . . 46 . . . 6195 1 395 . 1 1 46 46 TYR HB3 H 1 2.82 . . . . . . . 46 . . . 6195 1 396 . 1 1 46 46 TYR HD1 H 1 6.73 . . . . . . . 46 . . . 6195 1 397 . 1 1 46 46 TYR C C 13 177.2 . . . . . . . 46 . . . 6195 1 398 . 1 1 46 46 TYR CA C 13 57.60 . . . . . . . 46 . . . 6195 1 399 . 1 1 46 46 TYR CB C 13 39.71 . . . . . . . 46 . . . 6195 1 400 . 1 1 46 46 TYR N N 15 132.3 . . . . . . . 46 . . . 6195 1 401 . 1 1 47 47 ALA H H 1 7.19 . . . . . . . 47 . . . 6195 1 402 . 1 1 47 47 ALA HA H 1 4.06 . . . . . . . 47 . . . 6195 1 403 . 1 1 47 47 ALA HB1 H 1 1.27 . . . . . . . 47 . . . 6195 1 404 . 1 1 47 47 ALA HB2 H 1 1.27 . . . . . . . 47 . . . 6195 1 405 . 1 1 47 47 ALA HB3 H 1 1.27 . . . . . . . 47 . . . 6195 1 406 . 1 1 47 47 ALA C C 13 170.5 . . . . . . . 47 . . . 6195 1 407 . 1 1 47 47 ALA CA C 13 52.25 . . . . . . . 47 . . . 6195 1 408 . 1 1 47 47 ALA CB C 13 19.22 . . . . . . . 47 . . . 6195 1 409 . 1 1 47 47 ALA N N 15 121.3 . . . . . . . 47 . . . 6195 1 410 . 1 1 48 48 SER H H 1 7.88 . . . . . . . 48 . . . 6195 1 411 . 1 1 48 48 SER HA H 1 4.09 . . . . . . . 48 . . . 6195 1 412 . 1 1 48 48 SER C C 13 170.6 . . . . . . . 48 . . . 6195 1 413 . 1 1 48 48 SER CA C 13 62.77 . . . . . . . 48 . . . 6195 1 414 . 1 1 48 48 SER N N 15 119.1 . . . . . . . 48 . . . 6195 1 415 . 1 1 49 49 GLY H H 1 9.92 . . . . . . . 49 . . . 6195 1 416 . 1 1 49 49 GLY HA2 H 1 3.85 . . . . . . . 49 . . . 6195 1 417 . 1 1 49 49 GLY HA3 H 1 3.97 . . . . . . . 49 . . . 6195 1 418 . 1 1 49 49 GLY C C 13 175.8 . . . . . . . 49 . . . 6195 1 419 . 1 1 49 49 GLY CA C 13 46.11 . . . . . . . 49 . . . 6195 1 420 . 1 1 49 49 GLY N N 15 110.8 . . . . . . . 49 . . . 6195 1 421 . 1 1 50 50 SER H H 1 7.44 . . . . . . . 50 . . . 6195 1 422 . 1 1 50 50 SER HA H 1 4.99 . . . . . . . 50 . . . 6195 1 423 . 1 1 50 50 SER HB2 H 1 4.05 . . . . . . . 50 . . . 6195 1 424 . 1 1 50 50 SER HB3 H 1 3.78 . . . . . . . 50 . . . 6195 1 425 . 1 1 50 50 SER C C 13 175.9 . . . . . . . 50 . . . 6195 1 426 . 1 1 50 50 SER CA C 13 56.96 . . . . . . . 50 . . . 6195 1 427 . 1 1 50 50 SER CB C 13 63.95 . . . . . . . 50 . . . 6195 1 428 . 1 1 50 50 SER N N 15 111.3 . . . . . . . 50 . . . 6195 1 429 . 1 1 51 51 PHE H H 1 7.65 . . . . . . . 51 . . . 6195 1 430 . 1 1 51 51 PHE HA H 1 3.87 . . . . . . . 51 . . . 6195 1 431 . 1 1 51 51 PHE HB2 H 1 3.01 . . . . . . . 51 . . . 6195 1 432 . 1 1 51 51 PHE HB3 H 1 3.44 . . . . . . . 51 . . . 6195 1 433 . 1 1 51 51 PHE HD1 H 1 7.43 . . . . . . . 51 . . . 6195 1 434 . 1 1 51 51 PHE HE1 H 1 7.57 . . . . . . . 51 . . . 6195 1 435 . 1 1 51 51 PHE C C 13 173.8 . . . . . . . 51 . . . 6195 1 436 . 1 1 51 51 PHE CA C 13 64.16 . . . . . . . 51 . . . 6195 1 437 . 1 1 51 51 PHE CB C 13 40.94 . . . . . . . 51 . . . 6195 1 438 . 1 1 51 51 PHE N N 15 124.8 . . . . . . . 51 . . . 6195 1 439 . 1 1 52 52 ASP H H 1 8.60 . . . . . . . 52 . . . 6195 1 440 . 1 1 52 52 ASP HA H 1 4.23 . . . . . . . 52 . . . 6195 1 441 . 1 1 52 52 ASP HB2 H 1 2.60 . . . . . . . 52 . . . 6195 1 442 . 1 1 52 52 ASP HB3 H 1 2.70 . . . . . . . 52 . . . 6195 1 443 . 1 1 52 52 ASP C C 13 172.6 . . . . . . . 52 . . . 6195 1 444 . 1 1 52 52 ASP CA C 13 57.92 . . . . . . . 52 . . . 6195 1 445 . 1 1 52 52 ASP CB C 13 40.28 . . . . . . . 52 . . . 6195 1 446 . 1 1 52 52 ASP N N 15 112.3 . . . . . . . 52 . . . 6195 1 447 . 1 1 53 53 ASP H H 1 7.74 . . . . . . . 53 . . . 6195 1 448 . 1 1 53 53 ASP HA H 1 4.52 . . . . . . . 53 . . . 6195 1 449 . 1 1 53 53 ASP HB2 H 1 2.70 . . . . . . . 53 . . . 6195 1 450 . 1 1 53 53 ASP C C 13 173.1 . . . . . . . 53 . . . 6195 1 451 . 1 1 53 53 ASP CA C 13 56.24 . . . . . . . 53 . . . 6195 1 452 . 1 1 53 53 ASP CB C 13 41.37 . . . . . . . 53 . . . 6195 1 453 . 1 1 53 53 ASP N N 15 116.9 . . . . . . . 53 . . . 6195 1 454 . 1 1 54 54 LYS H H 1 7.58 . . . . . . . 54 . . . 6195 1 455 . 1 1 54 54 LYS HA H 1 4.58 . . . . . . . 54 . . . 6195 1 456 . 1 1 54 54 LYS HB3 H 1 2.18 . . . . . . . 54 . . . 6195 1 457 . 1 1 54 54 LYS HG2 H 1 1.34 . . . . . . . 54 . . . 6195 1 458 . 1 1 54 54 LYS HG3 H 1 1.52 . . . . . . . 54 . . . 6195 1 459 . 1 1 54 54 LYS HD2 H 1 1.73 . . . . . . . 54 . . . 6195 1 460 . 1 1 54 54 LYS C C 13 174.1 . . . . . . . 54 . . . 6195 1 461 . 1 1 54 54 LYS CA C 13 55.10 . . . . . . . 54 . . . 6195 1 462 . 1 1 54 54 LYS CB C 13 33.50 . . . . . . . 54 . . . 6195 1 463 . 1 1 54 54 LYS N N 15 117.1 . . . . . . . 54 . . . 6195 1 464 . 1 1 55 55 ILE H H 1 7.05 . . . . . . . 55 . . . 6195 1 465 . 1 1 55 55 ILE HA H 1 3.07 . . . . . . . 55 . . . 6195 1 466 . 1 1 55 55 ILE HB H 1 1.26 . . . . . . . 55 . . . 6195 1 467 . 1 1 55 55 ILE HG12 H 1 1.11 . . . . . . . 55 . . . 6195 1 468 . 1 1 55 55 ILE HG13 H 1 0.95 . . . . . . . 55 . . . 6195 1 469 . 1 1 55 55 ILE HG21 H 1 0.15 . . . . . . . 55 . . . 6195 1 470 . 1 1 55 55 ILE HG22 H 1 0.15 . . . . . . . 55 . . . 6195 1 471 . 1 1 55 55 ILE HG23 H 1 0.15 . . . . . . . 55 . . . 6195 1 472 . 1 1 55 55 ILE HD11 H 1 0.65 . . . . . . . 55 . . . 6195 1 473 . 1 1 55 55 ILE HD12 H 1 0.65 . . . . . . . 55 . . . 6195 1 474 . 1 1 55 55 ILE HD13 H 1 0.65 . . . . . . . 55 . . . 6195 1 475 . 1 1 55 55 ILE C C 13 174.8 . . . . . . . 55 . . . 6195 1 476 . 1 1 55 55 ILE CA C 13 67.16 . . . . . . . 55 . . . 6195 1 477 . 1 1 55 55 ILE CB C 13 37.58 . . . . . . . 55 . . . 6195 1 478 . 1 1 55 55 ILE CG1 C 13 28.11 . . . . . . . 55 . . . 6195 1 479 . 1 1 55 55 ILE CG2 C 13 16.45 . . . . . . . 55 . . . 6195 1 480 . 1 1 55 55 ILE CD1 C 13 15.00 . . . . . . . 55 . . . 6195 1 481 . 1 1 55 55 ILE N N 15 122.5 . . . . . . . 55 . . . 6195 1 482 . 1 1 56 56 SER H H 1 8.23 . . . . . . . 56 . . . 6195 1 483 . 1 1 56 56 SER HA H 1 3.90 . . . . . . . 56 . . . 6195 1 484 . 1 1 56 56 SER C C 13 174.8 . . . . . . . 56 . . . 6195 1 485 . 1 1 56 56 SER CA C 13 62.16 . . . . . . . 56 . . . 6195 1 486 . 1 1 56 56 SER N N 15 114.4 . . . . . . . 56 . . . 6195 1 487 . 1 1 57 57 HIS H H 1 7.44 . . . . . . . 57 . . . 6195 1 488 . 1 1 57 57 HIS HA H 1 4.10 . . . . . . . 57 . . . 6195 1 489 . 1 1 57 57 HIS HB2 H 1 3.24 . . . . . . . 57 . . . 6195 1 490 . 1 1 57 57 HIS HB3 H 1 3.39 . . . . . . . 57 . . . 6195 1 491 . 1 1 57 57 HIS HD1 H 1 7.11 . . . . . . . 57 . . . 6195 1 492 . 1 1 57 57 HIS C C 13 173.0 . . . . . . . 57 . . . 6195 1 493 . 1 1 57 57 HIS CA C 13 61.01 . . . . . . . 57 . . . 6195 1 494 . 1 1 57 57 HIS CB C 13 30.67 . . . . . . . 57 . . . 6195 1 495 . 1 1 57 57 HIS N N 15 124.3 . . . . . . . 57 . . . 6195 1 496 . 1 1 58 58 LEU H H 1 8.05 . . . . . . . 58 . . . 6195 1 497 . 1 1 58 58 LEU HA H 1 3.90 . . . . . . . 58 . . . 6195 1 498 . 1 1 58 58 LEU HB2 H 1 1.61 . . . . . . . 58 . . . 6195 1 499 . 1 1 58 58 LEU HD11 H 1 0.41 . . . . . . . 58 . . . 6195 1 500 . 1 1 58 58 LEU HD12 H 1 0.41 . . . . . . . 58 . . . 6195 1 501 . 1 1 58 58 LEU HD13 H 1 0.41 . . . . . . . 58 . . . 6195 1 502 . 1 1 58 58 LEU HD21 H 1 0.57 . . . . . . . 58 . . . 6195 1 503 . 1 1 58 58 LEU HD22 H 1 0.57 . . . . . . . 58 . . . 6195 1 504 . 1 1 58 58 LEU HD23 H 1 0.57 . . . . . . . 58 . . . 6195 1 505 . 1 1 58 58 LEU C C 13 172.6 . . . . . . . 58 . . . 6195 1 506 . 1 1 58 58 LEU CA C 13 59.36 . . . . . . . 58 . . . 6195 1 507 . 1 1 58 58 LEU CB C 13 40.49 . . . . . . . 58 . . . 6195 1 508 . 1 1 58 58 LEU N N 15 122.3 . . . . . . . 58 . . . 6195 1 509 . 1 1 59 59 VAL H H 1 7.99 . . . . . . . 59 . . . 6195 1 510 . 1 1 59 59 VAL HA H 1 3.25 . . . . . . . 59 . . . 6195 1 511 . 1 1 59 59 VAL HB H 1 2.05 . . . . . . . 59 . . . 6195 1 512 . 1 1 59 59 VAL HG11 H 1 0.90 . . . . . . . 59 . . . 6195 1 513 . 1 1 59 59 VAL HG12 H 1 0.90 . . . . . . . 59 . . . 6195 1 514 . 1 1 59 59 VAL HG13 H 1 0.90 . . . . . . . 59 . . . 6195 1 515 . 1 1 59 59 VAL C C 13 173.0 . . . . . . . 59 . . . 6195 1 516 . 1 1 59 59 VAL CA C 13 68.69 . . . . . . . 59 . . . 6195 1 517 . 1 1 59 59 VAL CB C 13 31.40 . . . . . . . 59 . . . 6195 1 518 . 1 1 59 59 VAL CG1 C 13 24.29 . . . . . . . 59 . . . 6195 1 519 . 1 1 59 59 VAL N N 15 116.01 . . . . . . . 59 . . . 6195 1 520 . 1 1 60 60 GLN H H 1 7.52 . . . . . . . 60 . . . 6195 1 521 . 1 1 60 60 GLN HA H 1 4.01 . . . . . . . 60 . . . 6195 1 522 . 1 1 60 60 GLN HB2 H 1 2.05 . . . . . . . 60 . . . 6195 1 523 . 1 1 60 60 GLN HG2 H 1 2.41 . . . . . . . 60 . . . 6195 1 524 . 1 1 60 60 GLN C C 13 173.5 . . . . . . . 60 . . . 6195 1 525 . 1 1 60 60 GLN CA C 13 58.60 . . . . . . . 60 . . . 6195 1 526 . 1 1 60 60 GLN CB C 13 28.37 . . . . . . . 60 . . . 6195 1 527 . 1 1 60 60 GLN CG C 13 33.64 . . . . . . . 60 . . . 6195 1 528 . 1 1 60 60 GLN N N 15 116.1 . . . . . . . 60 . . . 6195 1 529 . 1 1 61 61 ASN H H 1 7.88 . . . . . . . 61 . . . 6195 1 530 . 1 1 61 61 ASN HA H 1 4.61 . . . . . . . 61 . . . 6195 1 531 . 1 1 61 61 ASN HB2 H 1 2.79 . . . . . . . 61 . . . 6195 1 532 . 1 1 61 61 ASN HD21 H 1 6.74 . . . . . . . 61 . . . 6195 1 533 . 1 1 61 61 ASN HD22 H 1 7.39 . . . . . . . 61 . . . 6195 1 534 . 1 1 61 61 ASN C C 13 174.3 . . . . . . . 61 . . . 6195 1 535 . 1 1 61 61 ASN CA C 13 55.18 . . . . . . . 61 . . . 6195 1 536 . 1 1 61 61 ASN CB C 13 39.90 . . . . . . . 61 . . . 6195 1 537 . 1 1 61 61 ASN N N 15 116.5 . . . . . . . 61 . . . 6195 1 538 . 1 1 61 61 ASN ND2 N 15 113.15 . . . . . . . 61 . . . 6195 1 539 . 1 1 62 62 VAL H H 1 7.58 . . . . . . . 62 . . . 6195 1 540 . 1 1 62 62 VAL HA H 1 4.59 . . . . . . . 62 . . . 6195 1 541 . 1 1 62 62 VAL HB H 1 2.35 . . . . . . . 62 . . . 6195 1 542 . 1 1 62 62 VAL HG11 H 1 0.88 . . . . . . . 62 . . . 6195 1 543 . 1 1 62 62 VAL HG12 H 1 0.88 . . . . . . . 62 . . . 6195 1 544 . 1 1 62 62 VAL HG13 H 1 0.88 . . . . . . . 62 . . . 6195 1 545 . 1 1 62 62 VAL HG21 H 1 0.64 . . . . . . . 62 . . . 6195 1 546 . 1 1 62 62 VAL HG22 H 1 0.64 . . . . . . . 62 . . . 6195 1 547 . 1 1 62 62 VAL HG23 H 1 0.64 . . . . . . . 62 . . . 6195 1 548 . 1 1 62 62 VAL C C 13 175.3 . . . . . . . 62 . . . 6195 1 549 . 1 1 62 62 VAL CA C 13 60.75 . . . . . . . 62 . . . 6195 1 550 . 1 1 62 62 VAL CB C 13 31.11 . . . . . . . 62 . . . 6195 1 551 . 1 1 62 62 VAL CG1 C 13 18.28 . . . . . . . 62 . . . 6195 1 552 . 1 1 62 62 VAL CG2 C 13 21.08 . . . . . . . 62 . . . 6195 1 553 . 1 1 62 62 VAL N N 15 110.35 . . . . . . . 62 . . . 6195 1 554 . 1 1 63 63 LYS H H 1 7.26 . . . . . . . 63 . . . 6195 1 555 . 1 1 63 63 LYS HA H 1 4.12 . . . . . . . 63 . . . 6195 1 556 . 1 1 63 63 LYS HB2 H 1 1.89 . . . . . . . 63 . . . 6195 1 557 . 1 1 63 63 LYS C C 13 174.6 . . . . . . . 63 . . . 6195 1 558 . 1 1 63 63 LYS CA C 13 59.47 . . . . . . . 63 . . . 6195 1 559 . 1 1 63 63 LYS CB C 13 32.16 . . . . . . . 63 . . . 6195 1 560 . 1 1 63 63 LYS N N 15 120.1 . . . . . . . 63 . . . 6195 1 561 . 1 1 64 64 ASP H H 1 8.61 . . . . . . . 64 . . . 6195 1 562 . 1 1 64 64 ASP HA H 1 4.63 . . . . . . . 64 . . . 6195 1 563 . 1 1 64 64 ASP HB2 H 1 2.76 . . . . . . . 64 . . . 6195 1 564 . 1 1 64 64 ASP C C 13 175.1 . . . . . . . 64 . . . 6195 1 565 . 1 1 64 64 ASP CA C 13 54.37 . . . . . . . 64 . . . 6195 1 566 . 1 1 64 64 ASP CB C 13 40.07 . . . . . . . 64 . . . 6195 1 567 . 1 1 64 64 ASP N N 15 116.8 . . . . . . . 64 . . . 6195 1 568 . 1 1 65 65 LYS H H 1 7.87 . . . . . . . 65 . . . 6195 1 569 . 1 1 65 65 LYS HA H 1 4.36 . . . . . . . 65 . . . 6195 1 570 . 1 1 65 65 LYS HB2 H 1 1.61 . . . . . . . 65 . . . 6195 1 571 . 1 1 65 65 LYS HB3 H 1 1.35 . . . . . . . 65 . . . 6195 1 572 . 1 1 65 65 LYS HG3 H 1 1.15 . . . . . . . 65 . . . 6195 1 573 . 1 1 65 65 LYS C C 13 175.6 . . . . . . . 65 . . . 6195 1 574 . 1 1 65 65 LYS CA C 13 54.26 . . . . . . . 65 . . . 6195 1 575 . 1 1 65 65 LYS CB C 13 32.53 . . . . . . . 65 . . . 6195 1 576 . 1 1 65 65 LYS N N 15 120.2 . . . . . . . 65 . . . 6195 1 577 . 1 1 66 66 ASP H H 1 8.23 . . . . . . . 66 . . . 6195 1 578 . 1 1 66 66 ASP HA H 1 5.28 . . . . . . . 66 . . . 6195 1 579 . 1 1 66 66 ASP HB2 H 1 2.58 . . . . . . . 66 . . . 6195 1 580 . 1 1 66 66 ASP HB3 H 1 3.02 . . . . . . . 66 . . . 6195 1 581 . 1 1 66 66 ASP C C 13 170.5 . . . . . . . 66 . . . 6195 1 582 . 1 1 66 66 ASP CA C 13 53.70 . . . . . . . 66 . . . 6195 1 583 . 1 1 66 66 ASP CB C 13 42.86 . . . . . . . 66 . . . 6195 1 584 . 1 1 66 66 ASP N N 15 115.7 . . . . . . . 66 . . . 6195 1 585 . 1 1 67 67 THR H H 1 7.88 . . . . . . . 67 . . . 6195 1 586 . 1 1 67 67 THR HA H 1 5.49 . . . . . . . 67 . . . 6195 1 587 . 1 1 67 67 THR HB H 1 4.03 . . . . . . . 67 . . . 6195 1 588 . 1 1 67 67 THR HG21 H 1 1.03 . . . . . . . 67 . . . 6195 1 589 . 1 1 67 67 THR HG22 H 1 1.03 . . . . . . . 67 . . . 6195 1 590 . 1 1 67 67 THR HG23 H 1 1.03 . . . . . . . 67 . . . 6195 1 591 . 1 1 67 67 THR C C 13 178.5 . . . . . . . 67 . . . 6195 1 592 . 1 1 67 67 THR CA C 13 62.77 . . . . . . . 67 . . . 6195 1 593 . 1 1 67 67 THR CB C 13 73.25 . . . . . . . 67 . . . 6195 1 594 . 1 1 67 67 THR CG2 C 13 20.36 . . . . . . . 67 . . . 6195 1 595 . 1 1 67 67 THR N N 15 119.1 . . . . . . . 67 . . . 6195 1 596 . 1 1 68 68 LEU H H 1 8.81 . . . . . . . 68 . . . 6195 1 597 . 1 1 68 68 LEU HA H 1 5.35 . . . . . . . 68 . . . 6195 1 598 . 1 1 68 68 LEU HB2 H 1 1.84 . . . . . . . 68 . . . 6195 1 599 . 1 1 68 68 LEU HG H 1 1.65 . . . . . . . 68 . . . 6195 1 600 . 1 1 68 68 LEU HD11 H 1 0.83 . . . . . . . 68 . . . 6195 1 601 . 1 1 68 68 LEU HD12 H 1 0.83 . . . . . . . 68 . . . 6195 1 602 . 1 1 68 68 LEU HD13 H 1 0.83 . . . . . . . 68 . . . 6195 1 603 . 1 1 68 68 LEU HD21 H 1 1.00 . . . . . . . 68 . . . 6195 1 604 . 1 1 68 68 LEU HD22 H 1 1.00 . . . . . . . 68 . . . 6195 1 605 . 1 1 68 68 LEU HD23 H 1 1.00 . . . . . . . 68 . . . 6195 1 606 . 1 1 68 68 LEU C C 13 175.4 . . . . . . . 68 . . . 6195 1 607 . 1 1 68 68 LEU CA C 13 52.42 . . . . . . . 68 . . . 6195 1 608 . 1 1 68 68 LEU CB C 13 44.94 . . . . . . . 68 . . . 6195 1 609 . 1 1 68 68 LEU CD1 C 13 24.60 . . . . . . . 68 . . . 6195 1 610 . 1 1 68 68 LEU N N 15 125.9 . . . . . . . 68 . . . 6195 1 611 . 1 1 69 69 VAL H H 1 8.95 . . . . . . . 69 . . . 6195 1 612 . 1 1 69 69 VAL HA H 1 4.74 . . . . . . . 69 . . . 6195 1 613 . 1 1 69 69 VAL HB H 1 2.0 . . . . . . . 69 . . . 6195 1 614 . 1 1 69 69 VAL HG11 H 1 0.79 . . . . . . . 69 . . . 6195 1 615 . 1 1 69 69 VAL HG12 H 1 0.79 . . . . . . . 69 . . . 6195 1 616 . 1 1 69 69 VAL HG13 H 1 0.79 . . . . . . . 69 . . . 6195 1 617 . 1 1 69 69 VAL C C 13 175.5 . . . . . . . 69 . . . 6195 1 618 . 1 1 69 69 VAL CA C 13 60.94 . . . . . . . 69 . . . 6195 1 619 . 1 1 69 69 VAL CB C 13 33.15 . . . . . . . 69 . . . 6195 1 620 . 1 1 69 69 VAL N N 15 121.8 . . . . . . . 69 . . . 6195 1 621 . 1 1 70 70 PHE H H 1 9.79 . . . . . . . 70 . . . 6195 1 622 . 1 1 70 70 PHE HA H 1 5.24 . . . . . . . 70 . . . 6195 1 623 . 1 1 70 70 PHE HB2 H 1 2.52 . . . . . . . 70 . . . 6195 1 624 . 1 1 70 70 PHE HB3 H 1 3.03 . . . . . . . 70 . . . 6195 1 625 . 1 1 70 70 PHE HD1 H 1 7.12 . . . . . . . 70 . . . 6195 1 626 . 1 1 70 70 PHE C C 13 173.6 . . . . . . . 70 . . . 6195 1 627 . 1 1 70 70 PHE CA C 13 57.68 . . . . . . . 70 . . . 6195 1 628 . 1 1 70 70 PHE CB C 13 43.23 . . . . . . . 70 . . . 6195 1 629 . 1 1 70 70 PHE N N 15 126.4 . . . . . . . 70 . . . 6195 1 630 . 1 1 71 71 HIS H H 1 9.10 . . . . . . . 71 . . . 6195 1 631 . 1 1 71 71 HIS HA H 1 4.98 . . . . . . . 71 . . . 6195 1 632 . 1 1 71 71 HIS HB2 H 1 3.08 . . . . . . . 71 . . . 6195 1 633 . 1 1 71 71 HIS HB3 H 1 3.20 . . . . . . . 71 . . . 6195 1 634 . 1 1 71 71 HIS C C 13 178.9 . . . . . . . 71 . . . 6195 1 635 . 1 1 71 71 HIS CA C 13 55.67 . . . . . . . 71 . . . 6195 1 636 . 1 1 71 71 HIS N N 15 112.7 . . . . . . . 71 . . . 6195 1 637 . 1 1 72 72 SER H H 1 8.59 . . . . . . . 72 . . . 6195 1 638 . 1 1 72 72 SER HA H 1 4.30 . . . . . . . 72 . . . 6195 1 639 . 1 1 72 72 SER C C 13 177.8 . . . . . . . 72 . . . 6195 1 640 . 1 1 72 72 SER CA C 13 55.5 . . . . . . . 72 . . . 6195 1 641 . 1 1 72 72 SER N N 15 112.3 . . . . . . . 72 . . . 6195 1 642 . 1 1 73 73 ALA CA C 13 57.89 . . . . . . . 73 . . . 6195 1 643 . 1 1 73 73 ALA CB C 13 17.93 . . . . . . . 73 . . . 6195 1 644 . 1 1 74 74 LEU H H 1 8.98 . . . . . . . 74 . . . 6195 1 645 . 1 1 74 74 LEU C C 13 173.2 . . . . . . . 74 . . . 6195 1 646 . 1 1 74 74 LEU CA C 13 54.09 . . . . . . . 74 . . . 6195 1 647 . 1 1 74 74 LEU N N 15 114.7 . . . . . . . 74 . . . 6195 1 648 . 1 1 75 75 SER H H 1 7.68 . . . . . . . 75 . . . 6195 1 649 . 1 1 75 75 SER HA H 1 4.27 . . . . . . . 75 . . . 6195 1 650 . 1 1 75 75 SER C C 13 177.9 . . . . . . . 75 . . . 6195 1 651 . 1 1 75 75 SER CA C 13 59.62 . . . . . . . 75 . . . 6195 1 652 . 1 1 75 75 SER CB C 13 64.47 . . . . . . . 75 . . . 6195 1 653 . 1 1 75 75 SER N N 15 111.3 . . . . . . . 75 . . . 6195 1 654 . 1 1 76 76 GLN H H 1 9.81 . . . . . . . 76 . . . 6195 1 655 . 1 1 76 76 GLN HA H 1 4.53 . . . . . . . 76 . . . 6195 1 656 . 1 1 76 76 GLN HB2 H 1 1.96 . . . . . . . 76 . . . 6195 1 657 . 1 1 76 76 GLN HB3 H 1 2.10 . . . . . . . 76 . . . 6195 1 658 . 1 1 76 76 GLN HG2 H 1 2.23 . . . . . . . 76 . . . 6195 1 659 . 1 1 76 76 GLN HG3 H 1 2.37 . . . . . . . 76 . . . 6195 1 660 . 1 1 76 76 GLN C C 13 174.5 . . . . . . . 76 . . . 6195 1 661 . 1 1 76 76 GLN CA C 13 57.33 . . . . . . . 76 . . . 6195 1 662 . 1 1 76 76 GLN CB C 13 41.42 . . . . . . . 76 . . . 6195 1 663 . 1 1 76 76 GLN N N 15 119.0 . . . . . . . 76 . . . 6195 1 664 . 1 1 77 77 VAL H H 1 10.23 . . . . . . . 77 . . . 6195 1 665 . 1 1 77 77 VAL HA H 1 4.27 . . . . . . . 77 . . . 6195 1 666 . 1 1 77 77 VAL HB H 1 2.53 . . . . . . . 77 . . . 6195 1 667 . 1 1 77 77 VAL HG11 H 1 0.98 . . . . . . . 77 . . . 6195 1 668 . 1 1 77 77 VAL HG12 H 1 0.98 . . . . . . . 77 . . . 6195 1 669 . 1 1 77 77 VAL HG13 H 1 0.98 . . . . . . . 77 . . . 6195 1 670 . 1 1 77 77 VAL C C 13 173.1 . . . . . . . 77 . . . 6195 1 671 . 1 1 77 77 VAL CA C 13 65.9 . . . . . . . 77 . . . 6195 1 672 . 1 1 77 77 VAL CB C 13 33.93 . . . . . . . 77 . . . 6195 1 673 . 1 1 77 77 VAL N N 15 122.3 . . . . . . . 77 . . . 6195 1 674 . 1 1 78 78 ARG H H 1 10.21 . . . . . . . 78 . . . 6195 1 675 . 1 1 78 78 ARG HA H 1 4.17 . . . . . . . 78 . . . 6195 1 676 . 1 1 78 78 ARG HB2 H 1 2.08 . . . . . . . 78 . . . 6195 1 677 . 1 1 78 78 ARG HB3 H 1 1.88 . . . . . . . 78 . . . 6195 1 678 . 1 1 78 78 ARG HG2 H 1 1.32 . . . . . . . 78 . . . 6195 1 679 . 1 1 78 78 ARG C C 13 172.6 . . . . . . . 78 . . . 6195 1 680 . 1 1 78 78 ARG CA C 13 61.44 . . . . . . . 78 . . . 6195 1 681 . 1 1 78 78 ARG N N 15 124.8 . . . . . . . 78 . . . 6195 1 682 . 1 1 79 79 GLY H H 1 9.86 . . . . . . . 79 . . . 6195 1 683 . 1 1 79 79 GLY HA2 H 1 3.85 . . . . . . . 79 . . . 6195 1 684 . 1 1 79 79 GLY HA3 H 1 3.98 . . . . . . . 79 . . . 6195 1 685 . 1 1 79 79 GLY C C 13 175.9 . . . . . . . 79 . . . 6195 1 686 . 1 1 79 79 GLY CA C 13 46.25 . . . . . . . 79 . . . 6195 1 687 . 1 1 79 79 GLY N N 15 110.8 . . . . . . . 79 . . . 6195 1 688 . 1 1 80 80 PRO HA H 1 4.84 . . . . . . . 80 . . . 6195 1 689 . 1 1 80 80 PRO HB2 H 1 2.32 . . . . . . . 80 . . . 6195 1 690 . 1 1 80 80 PRO HG2 H 1 1.94 . . . . . . . 80 . . . 6195 1 691 . 1 1 80 80 PRO HD2 H 1 3.38 . . . . . . . 80 . . . 6195 1 692 . 1 1 80 80 PRO CA C 13 65.15 . . . . . . . 80 . . . 6195 1 693 . 1 1 80 80 PRO CB C 13 31.55 . . . . . . . 80 . . . 6195 1 694 . 1 1 81 81 THR H H 1 7.66 . . . . . . . 81 . . . 6195 1 695 . 1 1 81 81 THR HA H 1 3.80 . . . . . . . 81 . . . 6195 1 696 . 1 1 81 81 THR HB H 1 4.24 . . . . . . . 81 . . . 6195 1 697 . 1 1 81 81 THR HG21 H 1 1.20 . . . . . . . 81 . . . 6195 1 698 . 1 1 81 81 THR HG22 H 1 1.20 . . . . . . . 81 . . . 6195 1 699 . 1 1 81 81 THR HG23 H 1 1.20 . . . . . . . 81 . . . 6195 1 700 . 1 1 81 81 THR C C 13 174.0 . . . . . . . 81 . . . 6195 1 701 . 1 1 81 81 THR CA C 13 67.23 . . . . . . . 81 . . . 6195 1 702 . 1 1 81 81 THR CB C 13 68.49 . . . . . . . 81 . . . 6195 1 703 . 1 1 81 81 THR N N 15 112.8 . . . . . . . 81 . . . 6195 1 704 . 1 1 82 82 CYS H H 1 8.19 . . . . . . . 82 . . . 6195 1 705 . 1 1 82 82 CYS HA H 1 3.50 . . . . . . . 82 . . . 6195 1 706 . 1 1 82 82 CYS HB2 H 1 2.30 . . . . . . . 82 . . . 6195 1 707 . 1 1 82 82 CYS HB3 H 1 2.50 . . . . . . . 82 . . . 6195 1 708 . 1 1 82 82 CYS C C 13 175.9 . . . . . . . 82 . . . 6195 1 709 . 1 1 82 82 CYS CA C 13 65.32 . . . . . . . 82 . . . 6195 1 710 . 1 1 82 82 CYS CB C 13 26.93 . . . . . . . 82 . . . 6195 1 711 . 1 1 82 82 CYS N N 15 119.8 . . . . . . . 82 . . . 6195 1 712 . 1 1 83 83 ALA H H 1 7.27 . . . . . . . 83 . . . 6195 1 713 . 1 1 83 83 ALA HA H 1 2.38 . . . . . . . 83 . . . 6195 1 714 . 1 1 83 83 ALA HB1 H 1 0.64 . . . . . . . 83 . . . 6195 1 715 . 1 1 83 83 ALA HB2 H 1 0.64 . . . . . . . 83 . . . 6195 1 716 . 1 1 83 83 ALA HB3 H 1 0.64 . . . . . . . 83 . . . 6195 1 717 . 1 1 83 83 ALA C C 13 172.6 . . . . . . . 83 . . . 6195 1 718 . 1 1 83 83 ALA CA C 13 54.86 . . . . . . . 83 . . . 6195 1 719 . 1 1 83 83 ALA CB C 13 17.96 . . . . . . . 83 . . . 6195 1 720 . 1 1 83 83 ALA N N 15 121.3 . . . . . . . 83 . . . 6195 1 721 . 1 1 84 84 ARG H H 1 7.5 . . . . . . . 84 . . . 6195 1 722 . 1 1 84 84 ARG HA H 1 3.72 . . . . . . . 84 . . . 6195 1 723 . 1 1 84 84 ARG HB2 H 1 1.84 . . . . . . . 84 . . . 6195 1 724 . 1 1 84 84 ARG HG2 H 1 1.70 . . . . . . . 84 . . . 6195 1 725 . 1 1 84 84 ARG HG3 H 1 1.60 . . . . . . . 84 . . . 6195 1 726 . 1 1 84 84 ARG C C 13 172.5 . . . . . . . 84 . . . 6195 1 727 . 1 1 84 84 ARG CA C 13 59.48 . . . . . . . 84 . . . 6195 1 728 . 1 1 84 84 ARG CB C 13 29.37 . . . . . . . 84 . . . 6195 1 729 . 1 1 84 84 ARG CG C 13 27.33 . . . . . . . 84 . . . 6195 1 730 . 1 1 84 84 ARG N N 15 115.4 . . . . . . . 84 . . . 6195 1 731 . 1 1 85 85 ARG H H 1 7.93 . . . . . . . 85 . . . 6195 1 732 . 1 1 85 85 ARG HA H 1 4.20 . . . . . . . 85 . . . 6195 1 733 . 1 1 85 85 ARG HB2 H 1 2.07 . . . . . . . 85 . . . 6195 1 734 . 1 1 85 85 ARG HG2 H 1 1.79 . . . . . . . 85 . . . 6195 1 735 . 1 1 85 85 ARG HD2 H 1 3.39 . . . . . . . 85 . . . 6195 1 736 . 1 1 85 85 ARG C C 13 171.8 . . . . . . . 85 . . . 6195 1 737 . 1 1 85 85 ARG CA C 13 58.99 . . . . . . . 85 . . . 6195 1 738 . 1 1 85 85 ARG CB C 13 29.19 . . . . . . . 85 . . . 6195 1 739 . 1 1 85 85 ARG CD C 13 42.49 . . . . . . . 85 . . . 6195 1 740 . 1 1 85 85 ARG N N 15 119.5 . . . . . . . 85 . . . 6195 1 741 . 1 1 86 86 LEU H H 1 8.07 . . . . . . . 86 . . . 6195 1 742 . 1 1 86 86 LEU HA H 1 4.33 . . . . . . . 86 . . . 6195 1 743 . 1 1 86 86 LEU HD11 H 1 0.95 . . . . . . . 86 . . . 6195 1 744 . 1 1 86 86 LEU HD12 H 1 0.95 . . . . . . . 86 . . . 6195 1 745 . 1 1 86 86 LEU HD13 H 1 0.95 . . . . . . . 86 . . . 6195 1 746 . 1 1 86 86 LEU HD21 H 1 0.65 . . . . . . . 86 . . . 6195 1 747 . 1 1 86 86 LEU HD22 H 1 0.65 . . . . . . . 86 . . . 6195 1 748 . 1 1 86 86 LEU HD23 H 1 0.65 . . . . . . . 86 . . . 6195 1 749 . 1 1 86 86 LEU C C 13 173.1 . . . . . . . 86 . . . 6195 1 750 . 1 1 86 86 LEU CA C 13 58.54 . . . . . . . 86 . . . 6195 1 751 . 1 1 86 86 LEU CB C 13 40.83 . . . . . . . 86 . . . 6195 1 752 . 1 1 86 86 LEU N N 15 120.1 . . . . . . . 86 . . . 6195 1 753 . 1 1 87 87 VAL H H 1 8.00 . . . . . . . 87 . . . 6195 1 754 . 1 1 87 87 VAL HA H 1 4.32 . . . . . . . 87 . . . 6195 1 755 . 1 1 87 87 VAL HB H 1 2.16 . . . . . . . 87 . . . 6195 1 756 . 1 1 87 87 VAL HG11 H 1 0.96 . . . . . . . 87 . . . 6195 1 757 . 1 1 87 87 VAL HG12 H 1 0.96 . . . . . . . 87 . . . 6195 1 758 . 1 1 87 87 VAL HG13 H 1 0.96 . . . . . . . 87 . . . 6195 1 759 . 1 1 87 87 VAL C C 13 173.3 . . . . . . . 87 . . . 6195 1 760 . 1 1 87 87 VAL CA C 13 69.43 . . . . . . . 87 . . . 6195 1 761 . 1 1 87 87 VAL CB C 13 31.5 . . . . . . . 87 . . . 6195 1 762 . 1 1 87 87 VAL N N 15 119.7 . . . . . . . 87 . . . 6195 1 763 . 1 1 88 88 ASN H H 1 8.19 . . . . . . . 88 . . . 6195 1 764 . 1 1 88 88 ASN HA H 1 4.48 . . . . . . . 88 . . . 6195 1 765 . 1 1 88 88 ASN HB2 H 1 2.91 . . . . . . . 88 . . . 6195 1 766 . 1 1 88 88 ASN HB3 H 1 3.36 . . . . . . . 88 . . . 6195 1 767 . 1 1 88 88 ASN C C 13 173.8 . . . . . . . 88 . . . 6195 1 768 . 1 1 88 88 ASN CA C 13 56.56 . . . . . . . 88 . . . 6195 1 769 . 1 1 88 88 ASN CB C 13 38.29 . . . . . . . 88 . . . 6195 1 770 . 1 1 88 88 ASN N N 15 117.0 . . . . . . . 88 . . . 6195 1 771 . 1 1 89 89 TYR H H 1 8.30 . . . . . . . 89 . . . 6195 1 772 . 1 1 89 89 TYR HA H 1 4.25 . . . . . . . 89 . . . 6195 1 773 . 1 1 89 89 TYR HB2 H 1 3.15 . . . . . . . 89 . . . 6195 1 774 . 1 1 89 89 TYR HB3 H 1 3.32 . . . . . . . 89 . . . 6195 1 775 . 1 1 89 89 TYR HD1 H 1 6.96 . . . . . . . 89 . . . 6195 1 776 . 1 1 89 89 TYR HE1 H 1 6.73 . . . . . . . 89 . . . 6195 1 777 . 1 1 89 89 TYR C C 13 173.2 . . . . . . . 89 . . . 6195 1 778 . 1 1 89 89 TYR CA C 13 62.38 . . . . . . . 89 . . . 6195 1 779 . 1 1 89 89 TYR CB C 13 39.28 . . . . . . . 89 . . . 6195 1 780 . 1 1 89 89 TYR N N 15 122.01 . . . . . . . 89 . . . 6195 1 781 . 1 1 90 90 LEU H H 1 8.73 . . . . . . . 90 . . . 6195 1 782 . 1 1 90 90 LEU HA H 1 3.97 . . . . . . . 90 . . . 6195 1 783 . 1 1 90 90 LEU HB2 H 1 2.04 . . . . . . . 90 . . . 6195 1 784 . 1 1 90 90 LEU HB3 H 1 1.99 . . . . . . . 90 . . . 6195 1 785 . 1 1 90 90 LEU C C 13 171.2 . . . . . . . 90 . . . 6195 1 786 . 1 1 90 90 LEU CA C 13 57.93 . . . . . . . 90 . . . 6195 1 787 . 1 1 90 90 LEU CB C 13 41.06 . . . . . . . 90 . . . 6195 1 788 . 1 1 90 90 LEU N N 15 118.3 . . . . . . . 90 . . . 6195 1 789 . 1 1 91 91 ASP H H 1 8.19 . . . . . . . 91 . . . 6195 1 790 . 1 1 91 91 ASP HA H 1 4.48 . . . . . . . 91 . . . 6195 1 791 . 1 1 91 91 ASP HB2 H 1 2.72 . . . . . . . 91 . . . 6195 1 792 . 1 1 91 91 ASP HB3 H 1 2.86 . . . . . . . 91 . . . 6195 1 793 . 1 1 91 91 ASP C C 13 173.0 . . . . . . . 91 . . . 6195 1 794 . 1 1 91 91 ASP CA C 13 57.11 . . . . . . . 91 . . . 6195 1 795 . 1 1 91 91 ASP CB C 13 41.02 . . . . . . . 91 . . . 6195 1 796 . 1 1 91 91 ASP N N 15 118.8 . . . . . . . 91 . . . 6195 1 797 . 1 1 92 92 GLU H H 1 7.93 . . . . . . . 92 . . . 6195 1 798 . 1 1 92 92 GLU HA H 1 4.06 . . . . . . . 92 . . . 6195 1 799 . 1 1 92 92 GLU HB2 H 1 2.02 . . . . . . . 92 . . . 6195 1 800 . 1 1 92 92 GLU HG2 H 1 2.38 . . . . . . . 92 . . . 6195 1 801 . 1 1 92 92 GLU C C 13 173.1 . . . . . . . 92 . . . 6195 1 802 . 1 1 92 92 GLU CA C 13 58.68 . . . . . . . 92 . . . 6195 1 803 . 1 1 92 92 GLU CB C 13 30.00 . . . . . . . 92 . . . 6195 1 804 . 1 1 92 92 GLU CG C 13 36.42 . . . . . . . 92 . . . 6195 1 805 . 1 1 92 92 GLU N N 15 119.1 . . . . . . . 92 . . . 6195 1 806 . 1 1 93 93 LYS H H 1 7.83 . . . . . . . 93 . . . 6195 1 807 . 1 1 93 93 LYS HA H 1 4.05 . . . . . . . 93 . . . 6195 1 808 . 1 1 93 93 LYS HB2 H 1 1.53 . . . . . . . 93 . . . 6195 1 809 . 1 1 93 93 LYS HB3 H 1 1.73 . . . . . . . 93 . . . 6195 1 810 . 1 1 93 93 LYS HG2 H 1 1.09 . . . . . . . 93 . . . 6195 1 811 . 1 1 93 93 LYS HG3 H 1 1.16 . . . . . . . 93 . . . 6195 1 812 . 1 1 93 93 LYS HD2 H 1 1.41 . . . . . . . 93 . . . 6195 1 813 . 1 1 93 93 LYS C C 13 174.2 . . . . . . . 93 . . . 6195 1 814 . 1 1 93 93 LYS CA C 13 56.13 . . . . . . . 93 . . . 6195 1 815 . 1 1 93 93 LYS CB C 13 31.90 . . . . . . . 93 . . . 6195 1 816 . 1 1 93 93 LYS CG C 13 24.33 . . . . . . . 93 . . . 6195 1 817 . 1 1 93 93 LYS CD C 13 28.13 . . . . . . . 93 . . . 6195 1 818 . 1 1 93 93 LYS N N 15 117.6 . . . . . . . 93 . . . 6195 1 819 . 1 1 94 94 LYS H H 1 7.98 . . . . . . . 94 . . . 6195 1 820 . 1 1 94 94 LYS HA H 1 4.00 . . . . . . . 94 . . . 6195 1 821 . 1 1 94 94 LYS HB2 H 1 1.86 . . . . . . . 94 . . . 6195 1 822 . 1 1 94 94 LYS HG2 H 1 1.37 . . . . . . . 94 . . . 6195 1 823 . 1 1 94 94 LYS C C 13 174.4 . . . . . . . 94 . . . 6195 1 824 . 1 1 94 94 LYS CA C 13 57.52 . . . . . . . 94 . . . 6195 1 825 . 1 1 94 94 LYS CB C 13 30.55 . . . . . . . 94 . . . 6195 1 826 . 1 1 94 94 LYS CG C 13 24.84 . . . . . . . 94 . . . 6195 1 827 . 1 1 94 94 LYS N N 15 117.3 . . . . . . . 94 . . . 6195 1 828 . 1 1 95 95 GLU H H 1 7.81 . . . . . . . 95 . . . 6195 1 829 . 1 1 95 95 GLU HA H 1 4.31 . . . . . . . 95 . . . 6195 1 830 . 1 1 95 95 GLU HB2 H 1 1.92 . . . . . . . 95 . . . 6195 1 831 . 1 1 95 95 GLU HB3 H 1 1.79 . . . . . . . 95 . . . 6195 1 832 . 1 1 95 95 GLU HG2 H 1 2.15 . . . . . . . 95 . . . 6195 1 833 . 1 1 95 95 GLU C C 13 174.8 . . . . . . . 95 . . . 6195 1 834 . 1 1 95 95 GLU CA C 13 56.05 . . . . . . . 95 . . . 6195 1 835 . 1 1 95 95 GLU CB C 13 31.14 . . . . . . . 95 . . . 6195 1 836 . 1 1 95 95 GLU CG C 13 35.98 . . . . . . . 95 . . . 6195 1 837 . 1 1 95 95 GLU N N 15 118.3 . . . . . . . 95 . . . 6195 1 838 . 1 1 96 96 ASP H H 1 8.71 . . . . . . . 96 . . . 6195 1 839 . 1 1 96 96 ASP HA H 1 4.68 . . . . . . . 96 . . . 6195 1 840 . 1 1 96 96 ASP HB2 H 1 2.72 . . . . . . . 96 . . . 6195 1 841 . 1 1 96 96 ASP HB3 H 1 2.61 . . . . . . . 96 . . . 6195 1 842 . 1 1 96 96 ASP C C 13 174.7 . . . . . . . 96 . . . 6195 1 843 . 1 1 96 96 ASP CA C 13 54.45 . . . . . . . 96 . . . 6195 1 844 . 1 1 96 96 ASP CB C 13 40.67 . . . . . . . 96 . . . 6195 1 845 . 1 1 96 96 ASP N N 15 123.6 . . . . . . . 96 . . . 6195 1 846 . 1 1 97 97 THR H H 1 8.30 . . . . . . . 97 . . . 6195 1 847 . 1 1 97 97 THR HA H 1 4.64 . . . . . . . 97 . . . 6195 1 848 . 1 1 97 97 THR HB H 1 4.33 . . . . . . . 97 . . . 6195 1 849 . 1 1 97 97 THR HG21 H 1 1.18 . . . . . . . 97 . . . 6195 1 850 . 1 1 97 97 THR HG22 H 1 1.18 . . . . . . . 97 . . . 6195 1 851 . 1 1 97 97 THR HG23 H 1 1.18 . . . . . . . 97 . . . 6195 1 852 . 1 1 97 97 THR C C 13 176.1 . . . . . . . 97 . . . 6195 1 853 . 1 1 97 97 THR CA C 13 62.02 . . . . . . . 97 . . . 6195 1 854 . 1 1 97 97 THR CB C 13 71.25 . . . . . . . 97 . . . 6195 1 855 . 1 1 97 97 THR N N 15 115.5 . . . . . . . 97 . . . 6195 1 856 . 1 1 98 98 GLY H H 1 8.66 . . . . . . . 98 . . . 6195 1 857 . 1 1 98 98 GLY HA2 H 1 4.11 . . . . . . . 98 . . . 6195 1 858 . 1 1 98 98 GLY HA3 H 1 3.89 . . . . . . . 98 . . . 6195 1 859 . 1 1 98 98 GLY C C 13 176.1 . . . . . . . 98 . . . 6195 1 860 . 1 1 98 98 GLY CA C 13 44.14 . . . . . . . 98 . . . 6195 1 861 . 1 1 98 98 GLY N N 15 111.1 . . . . . . . 98 . . . 6195 1 862 . 1 1 99 99 ILE H H 1 7.91 . . . . . . . 99 . . . 6195 1 863 . 1 1 99 99 ILE HA H 1 3.72 . . . . . . . 99 . . . 6195 1 864 . 1 1 99 99 ILE HB H 1 1.72 . . . . . . . 99 . . . 6195 1 865 . 1 1 99 99 ILE HG12 H 1 0.97 . . . . . . . 99 . . . 6195 1 866 . 1 1 99 99 ILE HG13 H 1 1.18 . . . . . . . 99 . . . 6195 1 867 . 1 1 99 99 ILE HG21 H 1 0.67 . . . . . . . 99 . . . 6195 1 868 . 1 1 99 99 ILE HG22 H 1 0.67 . . . . . . . 99 . . . 6195 1 869 . 1 1 99 99 ILE HG23 H 1 0.67 . . . . . . . 99 . . . 6195 1 870 . 1 1 99 99 ILE HD11 H 1 0.85 . . . . . . . 99 . . . 6195 1 871 . 1 1 99 99 ILE HD12 H 1 0.85 . . . . . . . 99 . . . 6195 1 872 . 1 1 99 99 ILE HD13 H 1 0.85 . . . . . . . 99 . . . 6195 1 873 . 1 1 99 99 ILE C C 13 174.8 . . . . . . . 99 . . . 6195 1 874 . 1 1 99 99 ILE CA C 13 64.09 . . . . . . . 99 . . . 6195 1 875 . 1 1 99 99 ILE CB C 13 37.7 . . . . . . . 99 . . . 6195 1 876 . 1 1 99 99 ILE CD1 C 13 13.77 . . . . . . . 99 . . . 6195 1 877 . 1 1 99 99 ILE N N 15 120.2 . . . . . . . 99 . . . 6195 1 878 . 1 1 100 100 LYS H H 1 8.84 . . . . . . . 100 . . . 6195 1 879 . 1 1 100 100 LYS HA H 1 4.53 . . . . . . . 100 . . . 6195 1 880 . 1 1 100 100 LYS HB2 H 1 1.83 . . . . . . . 100 . . . 6195 1 881 . 1 1 100 100 LYS HB3 H 1 1.67 . . . . . . . 100 . . . 6195 1 882 . 1 1 100 100 LYS HG2 H 1 1.43 . . . . . . . 100 . . . 6195 1 883 . 1 1 100 100 LYS HG3 H 1 1.58 . . . . . . . 100 . . . 6195 1 884 . 1 1 100 100 LYS C C 13 174.8 . . . . . . . 100 . . . 6195 1 885 . 1 1 100 100 LYS CA C 13 56.81 . . . . . . . 100 . . . 6195 1 886 . 1 1 100 100 LYS CB C 13 35.11 . . . . . . . 100 . . . 6195 1 887 . 1 1 100 100 LYS CG C 13 24.70 . . . . . . . 100 . . . 6195 1 888 . 1 1 100 100 LYS N N 15 128.8 . . . . . . . 100 . . . 6195 1 889 . 1 1 101 101 ASN H H 1 8.19 . . . . . . . 101 . . . 6195 1 890 . 1 1 101 101 ASN HA H 1 5.16 . . . . . . . 101 . . . 6195 1 891 . 1 1 101 101 ASN HB2 H 1 2.62 . . . . . . . 101 . . . 6195 1 892 . 1 1 101 101 ASN HB3 H 1 2.87 . . . . . . . 101 . . . 6195 1 893 . 1 1 101 101 ASN C C 13 177.5 . . . . . . . 101 . . . 6195 1 894 . 1 1 101 101 ASN CA C 13 52.13 . . . . . . . 101 . . . 6195 1 895 . 1 1 101 101 ASN CB C 13 42.08 . . . . . . . 101 . . . 6195 1 896 . 1 1 101 101 ASN N N 15 116.5 . . . . . . . 101 . . . 6195 1 897 . 1 1 102 102 ILE H H 1 9.01 . . . . . . . 102 . . . 6195 1 898 . 1 1 102 102 ILE HA H 1 4.83 . . . . . . . 102 . . . 6195 1 899 . 1 1 102 102 ILE HB H 1 1.79 . . . . . . . 102 . . . 6195 1 900 . 1 1 102 102 ILE HG12 H 1 1.05 . . . . . . . 102 . . . 6195 1 901 . 1 1 102 102 ILE HG13 H 1 1.46 . . . . . . . 102 . . . 6195 1 902 . 1 1 102 102 ILE HG21 H 1 0.83 . . . . . . . 102 . . . 6195 1 903 . 1 1 102 102 ILE HG22 H 1 0.83 . . . . . . . 102 . . . 6195 1 904 . 1 1 102 102 ILE HG23 H 1 0.83 . . . . . . . 102 . . . 6195 1 905 . 1 1 102 102 ILE C C 13 177.4 . . . . . . . 102 . . . 6195 1 906 . 1 1 102 102 ILE CA C 13 61.85 . . . . . . . 102 . . . 6195 1 907 . 1 1 102 102 ILE CB C 13 38.80 . . . . . . . 102 . . . 6195 1 908 . 1 1 102 102 ILE N N 15 125.4 . . . . . . . 102 . . . 6195 1 909 . 1 1 103 103 MET H H 1 9.20 . . . . . . . 103 . . . 6195 1 910 . 1 1 103 103 MET HA H 1 5.67 . . . . . . . 103 . . . 6195 1 911 . 1 1 103 103 MET HB2 H 1 1.87 . . . . . . . 103 . . . 6195 1 912 . 1 1 103 103 MET HB3 H 1 1.77 . . . . . . . 103 . . . 6195 1 913 . 1 1 103 103 MET HG2 H 1 2.40 . . . . . . . 103 . . . 6195 1 914 . 1 1 103 103 MET HE1 H 1 2.23 . . . . . . . 103 . . . 6195 1 915 . 1 1 103 103 MET HE2 H 1 2.23 . . . . . . . 103 . . . 6195 1 916 . 1 1 103 103 MET HE3 H 1 2.23 . . . . . . . 103 . . . 6195 1 917 . 1 1 103 103 MET C C 13 175.4 . . . . . . . 103 . . . 6195 1 918 . 1 1 103 103 MET CA C 13 52.9 . . . . . . . 103 . . . 6195 1 919 . 1 1 103 103 MET CB C 13 38.36 . . . . . . . 103 . . . 6195 1 920 . 1 1 103 103 MET N N 15 123.7 . . . . . . . 103 . . . 6195 1 921 . 1 1 104 104 ILE H H 1 8.63 . . . . . . . 104 . . . 6195 1 922 . 1 1 104 104 ILE HA H 1 4.77 . . . . . . . 104 . . . 6195 1 923 . 1 1 104 104 ILE HG12 H 1 1.08 . . . . . . . 104 . . . 6195 1 924 . 1 1 104 104 ILE HG21 H 1 0.73 . . . . . . . 104 . . . 6195 1 925 . 1 1 104 104 ILE HG22 H 1 0.73 . . . . . . . 104 . . . 6195 1 926 . 1 1 104 104 ILE HG23 H 1 0.73 . . . . . . . 104 . . . 6195 1 927 . 1 1 104 104 ILE HD11 H 1 0.44 . . . . . . . 104 . . . 6195 1 928 . 1 1 104 104 ILE HD12 H 1 0.44 . . . . . . . 104 . . . 6195 1 929 . 1 1 104 104 ILE HD13 H 1 0.44 . . . . . . . 104 . . . 6195 1 930 . 1 1 104 104 ILE C C 13 175.3 . . . . . . . 104 . . . 6195 1 931 . 1 1 104 104 ILE CA C 13 59.4 . . . . . . . 104 . . . 6195 1 932 . 1 1 104 104 ILE CB C 13 40.24 . . . . . . . 104 . . . 6195 1 933 . 1 1 104 104 ILE CG2 C 13 18.47 . . . . . . . 104 . . . 6195 1 934 . 1 1 104 104 ILE CD1 C 13 14.62 . . . . . . . 104 . . . 6195 1 935 . 1 1 104 104 ILE N N 15 120.2 . . . . . . . 104 . . . 6195 1 936 . 1 1 105 105 LEU H H 1 8.46 . . . . . . . 105 . . . 6195 1 937 . 1 1 105 105 LEU HA H 1 4.90 . . . . . . . 105 . . . 6195 1 938 . 1 1 105 105 LEU HB2 H 1 1.82 . . . . . . . 105 . . . 6195 1 939 . 1 1 105 105 LEU HB3 H 1 1.72 . . . . . . . 105 . . . 6195 1 940 . 1 1 105 105 LEU HG H 1 0.80 . . . . . . . 105 . . . 6195 1 941 . 1 1 105 105 LEU HD11 H 1 0.34 . . . . . . . 105 . . . 6195 1 942 . 1 1 105 105 LEU HD12 H 1 0.34 . . . . . . . 105 . . . 6195 1 943 . 1 1 105 105 LEU HD13 H 1 0.34 . . . . . . . 105 . . . 6195 1 944 . 1 1 105 105 LEU HD21 H 1 0.94 . . . . . . . 105 . . . 6195 1 945 . 1 1 105 105 LEU HD22 H 1 0.94 . . . . . . . 105 . . . 6195 1 946 . 1 1 105 105 LEU HD23 H 1 0.94 . . . . . . . 105 . . . 6195 1 947 . 1 1 105 105 LEU C C 13 175.3 . . . . . . . 105 . . . 6195 1 948 . 1 1 105 105 LEU CA C 13 53.50 . . . . . . . 105 . . . 6195 1 949 . 1 1 105 105 LEU CB C 13 42.61 . . . . . . . 105 . . . 6195 1 950 . 1 1 105 105 LEU CD1 C 13 25.49 . . . . . . . 105 . . . 6195 1 951 . 1 1 105 105 LEU N N 15 125.6 . . . . . . . 105 . . . 6195 1 952 . 1 1 106 106 GLU H H 1 9.73 . . . . . . . 106 . . . 6195 1 953 . 1 1 106 106 GLU HA H 1 4.51 . . . . . . . 106 . . . 6195 1 954 . 1 1 106 106 GLU HB2 H 1 2.34 . . . . . . . 106 . . . 6195 1 955 . 1 1 106 106 GLU HG2 H 1 1.92 . . . . . . . 106 . . . 6195 1 956 . 1 1 106 106 GLU CA C 13 58.4 . . . . . . . 106 . . . 6195 1 957 . 1 1 106 106 GLU CB C 13 30.82 . . . . . . . 106 . . . 6195 1 958 . 1 1 106 106 GLU N N 15 138.6 . . . . . . . 106 . . . 6195 1 959 . 1 1 107 107 ARG H H 1 10.02 . . . . . . . 107 . . . 6195 1 960 . 1 1 107 107 ARG HA H 1 4.05 . . . . . . . 107 . . . 6195 1 961 . 1 1 107 107 ARG HB2 H 1 1.73 . . . . . . . 107 . . . 6195 1 962 . 1 1 107 107 ARG HB3 H 1 1.84 . . . . . . . 107 . . . 6195 1 963 . 1 1 107 107 ARG HD2 H 1 3.17 . . . . . . . 107 . . . 6195 1 964 . 1 1 107 107 ARG C C 13 173.1 . . . . . . . 107 . . . 6195 1 965 . 1 1 107 107 ARG CA C 13 59.83 . . . . . . . 107 . . . 6195 1 966 . 1 1 107 107 ARG N N 15 121.4 . . . . . . . 107 . . . 6195 1 967 . 1 1 108 108 GLY H H 1 7.77 . . . . . . . 108 . . . 6195 1 968 . 1 1 108 108 GLY HA2 H 1 4.07 . . . . . . . 108 . . . 6195 1 969 . 1 1 108 108 GLY HA3 H 1 3.77 . . . . . . . 108 . . . 6195 1 970 . 1 1 108 108 GLY C C 13 177.3 . . . . . . . 108 . . . 6195 1 971 . 1 1 108 108 GLY CA C 13 46.3 . . . . . . . 108 . . . 6195 1 972 . 1 1 108 108 GLY N N 15 101.6 . . . . . . . 108 . . . 6195 1 973 . 1 1 109 109 PHE H H 1 8.28 . . . . . . . 109 . . . 6195 1 974 . 1 1 109 109 PHE HA H 1 3.66 . . . . . . . 109 . . . 6195 1 975 . 1 1 109 109 PHE HB2 H 1 2.96 . . . . . . . 109 . . . 6195 1 976 . 1 1 109 109 PHE C C 13 173.3 . . . . . . . 109 . . . 6195 1 977 . 1 1 109 109 PHE CA C 13 62.82 . . . . . . . 109 . . . 6195 1 978 . 1 1 109 109 PHE CB C 13 39.84 . . . . . . . 109 . . . 6195 1 979 . 1 1 109 109 PHE N N 15 119.6 . . . . . . . 109 . . . 6195 1 980 . 1 1 110 110 ASN H H 1 9.60 . . . . . . . 110 . . . 6195 1 981 . 1 1 110 110 ASN HA H 1 4.39 . . . . . . . 110 . . . 6195 1 982 . 1 1 110 110 ASN HB2 H 1 2.90 . . . . . . . 110 . . . 6195 1 983 . 1 1 110 110 ASN C C 13 172.5 . . . . . . . 110 . . . 6195 1 984 . 1 1 110 110 ASN CA C 13 57.06 . . . . . . . 110 . . . 6195 1 985 . 1 1 110 110 ASN CB C 13 36.93 . . . . . . . 110 . . . 6195 1 986 . 1 1 110 110 ASN N N 15 119.3 . . . . . . . 110 . . . 6195 1 987 . 1 1 111 111 GLY H H 1 7.77 . . . . . . . 111 . . . 6195 1 988 . 1 1 111 111 GLY HA2 H 1 3.97 . . . . . . . 111 . . . 6195 1 989 . 1 1 111 111 GLY HA3 H 1 3.70 . . . . . . . 111 . . . 6195 1 990 . 1 1 111 111 GLY CA C 13 46.08 . . . . . . . 111 . . . 6195 1 991 . 1 1 111 111 GLY N N 15 105.3 . . . . . . . 111 . . . 6195 1 992 . 1 1 112 112 TRP H H 1 7.27 . . . . . . . 112 . . . 6195 1 993 . 1 1 112 112 TRP HA H 1 3.80 . . . . . . . 112 . . . 6195 1 994 . 1 1 112 112 TRP HB3 H 1 3.21 . . . . . . . 112 . . . 6195 1 995 . 1 1 112 112 TRP HD1 H 1 6.09 . . . . . . . 112 . . . 6195 1 996 . 1 1 112 112 TRP HE1 H 1 10.39 . . . . . . . 112 . . . 6195 1 997 . 1 1 112 112 TRP HZ2 H 1 6.87 . . . . . . . 112 . . . 6195 1 998 . 1 1 112 112 TRP C C 13 174.2 . . . . . . . 112 . . . 6195 1 999 . 1 1 112 112 TRP CA C 13 61.53 . . . . . . . 112 . . . 6195 1 1000 . 1 1 112 112 TRP CB C 13 27.64 . . . . . . . 112 . . . 6195 1 1001 . 1 1 112 112 TRP N N 15 126.7 . . . . . . . 112 . . . 6195 1 1002 . 1 1 113 113 GLU H H 1 8.27 . . . . . . . 113 . . . 6195 1 1003 . 1 1 113 113 GLU HA H 1 3.55 . . . . . . . 113 . . . 6195 1 1004 . 1 1 113 113 GLU HB2 H 1 1.38 . . . . . . . 113 . . . 6195 1 1005 . 1 1 113 113 GLU HB3 H 1 1.79 . . . . . . . 113 . . . 6195 1 1006 . 1 1 113 113 GLU HG2 H 1 2.16 . . . . . . . 113 . . . 6195 1 1007 . 1 1 113 113 GLU HG3 H 1 2.28 . . . . . . . 113 . . . 6195 1 1008 . 1 1 113 113 GLU C C 13 170.6 . . . . . . . 113 . . . 6195 1 1009 . 1 1 113 113 GLU CA C 13 60.01 . . . . . . . 113 . . . 6195 1 1010 . 1 1 113 113 GLU CB C 13 29.12 . . . . . . . 113 . . . 6195 1 1011 . 1 1 113 113 GLU CG C 13 35.98 . . . . . . . 113 . . . 6195 1 1012 . 1 1 113 113 GLU N N 15 118.7 . . . . . . . 113 . . . 6195 1 1013 . 1 1 114 114 ALA H H 1 8.35 . . . . . . . 114 . . . 6195 1 1014 . 1 1 114 114 ALA HA H 1 4.11 . . . . . . . 114 . . . 6195 1 1015 . 1 1 114 114 ALA HB1 H 1 1.49 . . . . . . . 114 . . . 6195 1 1016 . 1 1 114 114 ALA HB2 H 1 1.49 . . . . . . . 114 . . . 6195 1 1017 . 1 1 114 114 ALA HB3 H 1 1.49 . . . . . . . 114 . . . 6195 1 1018 . 1 1 114 114 ALA C C 13 172.4 . . . . . . . 114 . . . 6195 1 1019 . 1 1 114 114 ALA CA C 13 54.8 . . . . . . . 114 . . . 6195 1 1020 . 1 1 114 114 ALA CB C 13 18.41 . . . . . . . 114 . . . 6195 1 1021 . 1 1 114 114 ALA N N 15 121.2 . . . . . . . 114 . . . 6195 1 1022 . 1 1 115 115 SER H H 1 7.41 . . . . . . . 115 . . . 6195 1 1023 . 1 1 115 115 SER HA H 1 3.85 . . . . . . . 115 . . . 6195 1 1024 . 1 1 115 115 SER HB2 H 1 4.46 . . . . . . . 115 . . . 6195 1 1025 . 1 1 115 115 SER C C 13 175.5 . . . . . . . 115 . . . 6195 1 1026 . 1 1 115 115 SER CA C 13 58.57 . . . . . . . 115 . . . 6195 1 1027 . 1 1 115 115 SER CB C 13 63.45 . . . . . . . 115 . . . 6195 1 1028 . 1 1 115 115 SER N N 15 109.5 . . . . . . . 115 . . . 6195 1 1029 . 1 1 116 116 GLY H H 1 7.73 . . . . . . . 116 . . . 6195 1 1030 . 1 1 116 116 GLY HA2 H 1 3.74 . . . . . . . 116 . . . 6195 1 1031 . 1 1 116 116 GLY HA3 H 1 4.01 . . . . . . . 116 . . . 6195 1 1032 . 1 1 116 116 GLY C C 13 175.9 . . . . . . . 116 . . . 6195 1 1033 . 1 1 116 116 GLY CA C 13 44.81 . . . . . . . 116 . . . 6195 1 1034 . 1 1 116 116 GLY N N 15 109.0 . . . . . . . 116 . . . 6195 1 1035 . 1 1 117 117 LYS H H 1 6.85 . . . . . . . 117 . . . 6195 1 1036 . 1 1 117 117 LYS HA H 1 3.96 . . . . . . . 117 . . . 6195 1 1037 . 1 1 117 117 LYS HB2 H 1 0.69 . . . . . . . 117 . . . 6195 1 1038 . 1 1 117 117 LYS HB3 H 1 0.89 . . . . . . . 117 . . . 6195 1 1039 . 1 1 117 117 LYS HG2 H 1 -0.08 . . . . . . . 117 . . . 6195 1 1040 . 1 1 117 117 LYS HG3 H 1 -0.60 . . . . . . . 117 . . . 6195 1 1041 . 1 1 117 117 LYS C C 13 177.1 . . . . . . . 117 . . . 6195 1 1042 . 1 1 117 117 LYS CA C 13 54.22 . . . . . . . 117 . . . 6195 1 1043 . 1 1 117 117 LYS CB C 13 27.90 . . . . . . . 117 . . . 6195 1 1044 . 1 1 117 117 LYS CG C 13 26.83 . . . . . . . 117 . . . 6195 1 1045 . 1 1 117 117 LYS N N 15 119.5 . . . . . . . 117 . . . 6195 1 1046 . 1 1 118 118 PRO HD3 H 1 3.60 . . . . . . . 118 . . . 6195 1 1047 . 1 1 118 118 PRO C C 13 172.7 . . . . . . . 118 . . . 6195 1 1048 . 1 1 118 118 PRO CA C 13 63.85 . . . . . . . 118 . . . 6195 1 1049 . 1 1 118 118 PRO CB C 13 32.01 . . . . . . . 118 . . . 6195 1 1050 . 1 1 118 118 PRO CD C 13 50.24 . . . . . . . 118 . . . 6195 1 1051 . 1 1 119 119 VAL H H 1 9.02 . . . . . . . 119 . . . 6195 1 1052 . 1 1 119 119 VAL HA H 1 4.39 . . . . . . . 119 . . . 6195 1 1053 . 1 1 119 119 VAL HB H 1 2.10 . . . . . . . 119 . . . 6195 1 1054 . 1 1 119 119 VAL HG11 H 1 1.13 . . . . . . . 119 . . . 6195 1 1055 . 1 1 119 119 VAL HG12 H 1 1.13 . . . . . . . 119 . . . 6195 1 1056 . 1 1 119 119 VAL HG13 H 1 1.13 . . . . . . . 119 . . . 6195 1 1057 . 1 1 119 119 VAL HG21 H 1 1.09 . . . . . . . 119 . . . 6195 1 1058 . 1 1 119 119 VAL HG22 H 1 1.09 . . . . . . . 119 . . . 6195 1 1059 . 1 1 119 119 VAL HG23 H 1 1.09 . . . . . . . 119 . . . 6195 1 1060 . 1 1 119 119 VAL C C 13 176.9 . . . . . . . 119 . . . 6195 1 1061 . 1 1 119 119 VAL CA C 13 62.55 . . . . . . . 119 . . . 6195 1 1062 . 1 1 119 119 VAL CB C 13 35.92 . . . . . . . 119 . . . 6195 1 1063 . 1 1 119 119 VAL CG1 C 13 22.65 . . . . . . . 119 . . . 6195 1 1064 . 1 1 119 119 VAL CG2 C 13 21.30 . . . . . . . 119 . . . 6195 1 1065 . 1 1 119 119 VAL N N 15 126.8 . . . . . . . 119 . . . 6195 1 1066 . 1 1 120 120 CYS H H 1 9.23 . . . . . . . 120 . . . 6195 1 1067 . 1 1 120 120 CYS HA H 1 4.31 . . . . . . . 120 . . . 6195 1 1068 . 1 1 120 120 CYS HB2 H 1 2.25 . . . . . . . 120 . . . 6195 1 1069 . 1 1 120 120 CYS HB3 H 1 2.56 . . . . . . . 120 . . . 6195 1 1070 . 1 1 120 120 CYS C C 13 172.14 . . . . . . . 120 . . . 6195 1 1071 . 1 1 120 120 CYS CA C 13 59.68 . . . . . . . 120 . . . 6195 1 1072 . 1 1 120 120 CYS CB C 13 30.50 . . . . . . . 120 . . . 6195 1 1073 . 1 1 120 120 CYS N N 15 130.6 . . . . . . . 120 . . . 6195 1 1074 . 1 1 121 121 ARG H H 1 8.51 . . . . . . . 121 . . . 6195 1 1075 . 1 1 121 121 ARG HA H 1 4.43 . . . . . . . 121 . . . 6195 1 1076 . 1 1 121 121 ARG C C 13 174.4 . . . . . . . 121 . . . 6195 1 1077 . 1 1 121 121 ARG CA C 13 54.42 . . . . . . . 121 . . . 6195 1 1078 . 1 1 121 121 ARG N N 15 126.7 . . . . . . . 121 . . . 6195 1 1079 . 1 1 122 122 CYS H H 1 9.01 . . . . . . . 122 . . . 6195 1 1080 . 1 1 122 122 CYS HA H 1 4.66 . . . . . . . 122 . . . 6195 1 1081 . 1 1 122 122 CYS HB2 H 1 3.10 . . . . . . . 122 . . . 6195 1 1082 . 1 1 122 122 CYS HB3 H 1 3.36 . . . . . . . 122 . . . 6195 1 1083 . 1 1 122 122 CYS C C 13 175.52 . . . . . . . 122 . . . 6195 1 1084 . 1 1 122 122 CYS CA C 13 61.04 . . . . . . . 122 . . . 6195 1 1085 . 1 1 122 122 CYS CB C 13 28.77 . . . . . . . 122 . . . 6195 1 1086 . 1 1 122 122 CYS N N 15 123.5 . . . . . . . 122 . . . 6195 1 1087 . 1 1 123 123 ALA H H 1 8.8 . . . . . . . 123 . . . 6195 1 1088 . 1 1 123 123 ALA HA H 1 4.73 . . . . . . . 123 . . . 6195 1 1089 . 1 1 123 123 ALA HB1 H 1 1.39 . . . . . . . 123 . . . 6195 1 1090 . 1 1 123 123 ALA HB2 H 1 1.39 . . . . . . . 123 . . . 6195 1 1091 . 1 1 123 123 ALA HB3 H 1 1.39 . . . . . . . 123 . . . 6195 1 1092 . 1 1 123 123 ALA C C 13 173.2 . . . . . . . 123 . . . 6195 1 1093 . 1 1 123 123 ALA CA C 13 49.98 . . . . . . . 123 . . . 6195 1 1094 . 1 1 123 123 ALA CB C 13 19.56 . . . . . . . 123 . . . 6195 1 1095 . 1 1 123 123 ALA N N 15 122.1 . . . . . . . 123 . . . 6195 1 1096 . 1 1 124 124 GLU H H 1 8.04 . . . . . . . 124 . . . 6195 1 1097 . 1 1 124 124 GLU HA H 1 4.32 . . . . . . . 124 . . . 6195 1 1098 . 1 1 124 124 GLU HB2 H 1 2.08 . . . . . . . 124 . . . 6195 1 1099 . 1 1 124 124 GLU HB3 H 1 2.14 . . . . . . . 124 . . . 6195 1 1100 . 1 1 124 124 GLU HG2 H 1 2.27 . . . . . . . 124 . . . 6195 1 1101 . 1 1 124 124 GLU HG3 H 1 2.40 . . . . . . . 124 . . . 6195 1 1102 . 1 1 124 124 GLU C C 13 175.3 . . . . . . . 124 . . . 6195 1 1103 . 1 1 124 124 GLU CA C 13 56.46 . . . . . . . 124 . . . 6195 1 1104 . 1 1 124 124 GLU N N 15 121.3 . . . . . . . 124 . . . 6195 1 1105 . 1 1 125 125 VAL H H 1 8.35 . . . . . . . 125 . . . 6195 1 1106 . 1 1 125 125 VAL HA H 1 4.11 . . . . . . . 125 . . . 6195 1 1107 . 1 1 125 125 VAL C C 13 176.1 . . . . . . . 125 . . . 6195 1 1108 . 1 1 125 125 VAL CA C 13 59.70 . . . . . . . 125 . . . 6195 1 1109 . 1 1 125 125 VAL N N 15 121.2 . . . . . . . 125 . . . 6195 1 1110 . 1 1 126 126 PRO CA C 13 64.01 . . . . . . . 126 . . . 6195 1 1111 . 1 1 127 127 CYS H H 1 8.05 . . . . . . . 127 . . . 6195 1 1112 . 1 1 127 127 CYS CA C 13 61.58 . . . . . . . 127 . . . 6195 1 1113 . 1 1 127 127 CYS CB C 13 28.86 . . . . . . . 127 . . . 6195 1 1114 . 1 1 127 127 CYS N N 15 120.48 . . . . . . . 127 . . . 6195 1 1115 . 1 1 128 128 LYS H H 1 9.02 . . . . . . . 128 . . . 6195 1 1116 . 1 1 128 128 LYS HA H 1 4.38 . . . . . . . 128 . . . 6195 1 1117 . 1 1 128 128 LYS HB2 H 1 1.81 . . . . . . . 128 . . . 6195 1 1118 . 1 1 128 128 LYS HB3 H 1 1.93 . . . . . . . 128 . . . 6195 1 1119 . 1 1 128 128 LYS C C 13 173.1 . . . . . . . 128 . . . 6195 1 1120 . 1 1 128 128 LYS CA C 13 56.46 . . . . . . . 128 . . . 6195 1 1121 . 1 1 128 128 LYS CB C 13 32.98 . . . . . . . 128 . . . 6195 1 1122 . 1 1 128 128 LYS N N 15 130.5 . . . . . . . 128 . . . 6195 1 1123 . 1 1 129 129 GLY H H 1 9.51 . . . . . . . 129 . . . 6195 1 1124 . 1 1 129 129 GLY HA2 H 1 3.93 . . . . . . . 129 . . . 6195 1 1125 . 1 1 129 129 GLY C C 13 176.5 . . . . . . . 129 . . . 6195 1 1126 . 1 1 129 129 GLY CA C 13 45.12 . . . . . . . 129 . . . 6195 1 1127 . 1 1 129 129 GLY N N 15 113.5 . . . . . . . 129 . . . 6195 1 1128 . 1 1 130 130 ASP H H 1 8.41 . . . . . . . 130 . . . 6195 1 1129 . 1 1 130 130 ASP HA H 1 4.72 . . . . . . . 130 . . . 6195 1 1130 . 1 1 130 130 ASP HB2 H 1 2.71 . . . . . . . 130 . . . 6195 1 1131 . 1 1 130 130 ASP C C 13 174.8 . . . . . . . 130 . . . 6195 1 1132 . 1 1 130 130 ASP CA C 13 54.38 . . . . . . . 130 . . . 6195 1 1133 . 1 1 130 130 ASP CB C 13 41.32 . . . . . . . 130 . . . 6195 1 1134 . 1 1 130 130 ASP N N 15 119.7 . . . . . . . 130 . . . 6195 1 1135 . 1 1 131 131 CYS H H 1 8.35 . . . . . . . 131 . . . 6195 1 1136 . 1 1 131 131 CYS HA H 1 4.75 . . . . . . . 131 . . . 6195 1 1137 . 1 1 131 131 CYS CA C 13 58.87 . . . . . . . 131 . . . 6195 1 1138 . 1 1 131 131 CYS N N 15 119.49 . . . . . . . 131 . . . 6195 1 1139 . 1 1 132 132 ALA H H 1 7.77 . . . . . . . 132 . . . 6195 1 1140 . 1 1 132 132 ALA HA H 1 4.18 . . . . . . . 132 . . . 6195 1 1141 . 1 1 132 132 ALA HB1 H 1 1.33 . . . . . . . 132 . . . 6195 1 1142 . 1 1 132 132 ALA HB2 H 1 1.33 . . . . . . . 132 . . . 6195 1 1143 . 1 1 132 132 ALA HB3 H 1 1.33 . . . . . . . 132 . . . 6195 1 1144 . 1 1 132 132 ALA C C 13 169.2 . . . . . . . 132 . . . 6195 1 1145 . 1 1 132 132 ALA CA C 13 53.9 . . . . . . . 132 . . . 6195 1 1146 . 1 1 132 132 ALA N N 15 131.4 . . . . . . . 132 . . . 6195 1 stop_ save_