data_6223 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6223 _Entry.Title ; Sequential resonance assignment of yeast cytosine deaminase in complex with a transition state analogue ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2004-06-02 _Entry.Accession_date 2004-06-03 _Entry.Last_release_date 2007-03-22 _Entry.Original_release_date 2007-03-22 _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 Lishan Yao . . . 6223 2 Aizhuo Liu . . . 6223 3 Yue Li . . . 6223 4 Krzysztof Felczak . . . 6223 5 Guangyu Li . . . 6223 6 Honggao Yan . . . 6223 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6223 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 308 6223 '13C chemical shifts' 424 6223 '15N chemical shifts' 145 6223 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 . . 2007-03-22 2004-06-02 original author . 6223 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6223 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17091334 _Citation.Full_citation . _Citation.Title ; Simultaneous NMR assignment of backbone and side chain amides in large proteins with IS-TROSY ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 4 _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 205 _Citation.Page_last 214 _Citation.Year 2006 _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 Aizhuo Liu . . . 6223 1 2 Yue Li . . . 6223 1 3 L. Yao . . . 6223 1 4 Honggao Yan . . . 6223 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_YCD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_YCD _Assembly.Entry_ID 6223 _Assembly.ID 1 _Assembly.Name 'YCD dimer' _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 dimer 6223 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 'YCD monomer 1' 1 $YCD . . . native . . 1 . . 6223 1 2 'YCD monomer 2' 1 $YCD . . . native . . 1 . . 6223 1 3 '5-fluorine, 2-hydroxypyrimidine' 2 $PYR1 . . . native . . . . . 6223 1 4 'ZINC (II) ION' 3 $ZN . . . native . . . . . 6223 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 91 91 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 6223 1 2 coordination single . 1 . 1 CYS 94 94 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 6223 1 3 coordination single . 2 . 1 CYS 91 91 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 6223 1 4 coordination single . 2 . 1 CYS 94 94 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 6223 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'YCD dimer' system 6223 1 YCD abbreviation 6223 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YCD _Entity.Sf_category entity _Entity.Sf_framecode YCD _Entity.Entry_ID 6223 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Yeast cytosine deaminase' _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 ; MVTGGMASKWDQKGMDIAYE EAALGYKEGGVPIGGCLINN KDGSVLGRGHNMRFQKGSAT LHGEISTLENCGRLEGKVYK DTTLYTTLSPCDMCTGAIIM YGIPRCVVGENVNFKSKGEK YLQTRGHEVVVVDDERCKKI MKQFIDERPQDWFEDIGE ; _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 158 _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 . _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_015387 . 'Cytosine deaminase, zinc metalloenzyme that catalyzes the hydrolytic deamination of cytosine to uracil; of biomedical interest because it also catalyzes the deamination of 5-fluorocytosine (5FC) to form anticancer drug 5-fluorouracil (5FU); Fcy1p [Saccharomyces cerevisiae]' . . . . . 100.00 158 100.00 100.00 1.40e-88 . . . . 6223 1 . . SWISS-PROT Q12178 . 'Cytosine deaminase (Cytosine aminohydrolase)' . . . . . 100.00 158 100.00 100.00 1.40e-88 . . . . 6223 1 . . GenBank EDN61192 . 'cytosine deaminase [Saccharomyces cerevisiae YJM789]' . . . . . 100.00 158 100.00 100.00 1.40e-88 . . . . 6223 1 . . GenBank EDV11264 . 'cytosine deaminase [Saccharomyces cerevisiae RM11-1a]' . . . . . 100.00 158 100.00 100.00 1.40e-88 . . . . 6223 1 . . GenBank AAC13409 . 'cytosine deaminase [Saccharomyces cerevisiae]' . . . . . 100.00 158 100.00 100.00 1.40e-88 . . . . 6223 1 . . GenBank AAG33626 . 'cytosine deaminase-uracil phosphoribosyltransferase fusion protein [synthetic construct]' . . . . . 100.00 373 100.00 100.00 1.69e-89 . . . . 6223 1 . . EMBL CAA95006 . 'unknown [Saccharomyces cerevisiae]' . . . . . 100.00 158 100.00 100.00 1.40e-88 . . . . 6223 1 . . GenBank AAB67713 . 'cytosine deaminase [Saccharomyces cerevisiae]' . . . . . 100.00 158 100.00 100.00 1.40e-88 . . . . 6223 1 . . PDB 1YSD . 'Yeast Cytosine Deaminase Double Mutant' . . . . . 100.00 161 98.73 99.37 1.07e-87 . . . . 6223 1 . . EMBL CAA89179 . 'unknown [Saccharomyces cerevisiae]' . . . . . 100.00 158 100.00 100.00 1.40e-88 . . . . 6223 1 . . PDB 1UAQ . 'The Crystal Structure Of Yeast Cytosine Deaminase' . . . . . 100.00 158 100.00 100.00 1.40e-88 . . . . 6223 1 . . PDB 1YSB . 'Yeast Cytosine Deaminase Triple Mutant' . . . . . 100.00 161 98.10 99.37 1.39e-87 . . . . 6223 1 . . PDB 1P6O . 'The Crystal Structure Of Yeast Cytosine Deaminase Bound To 4(R)-Hydroxyl-3,4-Dihydropyrimidine At 1.14 Angstroms.' . . . . . 100.00 161 100.00 100.00 1.04e-88 . . . . 6223 1 . . PDB 1RB7 . 'Yeast Cytosine Deaminase Crystal Form P212121 With Sodium Acetate' . . . . . 100.00 161 100.00 100.00 1.04e-88 . . . . 6223 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Yeast cytosine deaminase' common 6223 1 YCD abbreviation 6223 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 . MET . 6223 1 2 . VAL . 6223 1 3 . THR . 6223 1 4 . GLY . 6223 1 5 . GLY . 6223 1 6 . MET . 6223 1 7 . ALA . 6223 1 8 . SER . 6223 1 9 . LYS . 6223 1 10 . TRP . 6223 1 11 . ASP . 6223 1 12 . GLN . 6223 1 13 . LYS . 6223 1 14 . GLY . 6223 1 15 . MET . 6223 1 16 . ASP . 6223 1 17 . ILE . 6223 1 18 . ALA . 6223 1 19 . TYR . 6223 1 20 . GLU . 6223 1 21 . GLU . 6223 1 22 . ALA . 6223 1 23 . ALA . 6223 1 24 . LEU . 6223 1 25 . GLY . 6223 1 26 . TYR . 6223 1 27 . LYS . 6223 1 28 . GLU . 6223 1 29 . GLY . 6223 1 30 . GLY . 6223 1 31 . VAL . 6223 1 32 . PRO . 6223 1 33 . ILE . 6223 1 34 . GLY . 6223 1 35 . GLY . 6223 1 36 . CYS . 6223 1 37 . LEU . 6223 1 38 . ILE . 6223 1 39 . ASN . 6223 1 40 . ASN . 6223 1 41 . LYS . 6223 1 42 . ASP . 6223 1 43 . GLY . 6223 1 44 . SER . 6223 1 45 . VAL . 6223 1 46 . LEU . 6223 1 47 . GLY . 6223 1 48 . ARG . 6223 1 49 . GLY . 6223 1 50 . HIS . 6223 1 51 . ASN . 6223 1 52 . MET . 6223 1 53 . ARG . 6223 1 54 . PHE . 6223 1 55 . GLN . 6223 1 56 . LYS . 6223 1 57 . GLY . 6223 1 58 . SER . 6223 1 59 . ALA . 6223 1 60 . THR . 6223 1 61 . LEU . 6223 1 62 . HIS . 6223 1 63 . GLY . 6223 1 64 . GLU . 6223 1 65 . ILE . 6223 1 66 . SER . 6223 1 67 . THR . 6223 1 68 . LEU . 6223 1 69 . GLU . 6223 1 70 . ASN . 6223 1 71 . CYS . 6223 1 72 . GLY . 6223 1 73 . ARG . 6223 1 74 . LEU . 6223 1 75 . GLU . 6223 1 76 . GLY . 6223 1 77 . LYS . 6223 1 78 . VAL . 6223 1 79 . TYR . 6223 1 80 . LYS . 6223 1 81 . ASP . 6223 1 82 . THR . 6223 1 83 . THR . 6223 1 84 . LEU . 6223 1 85 . TYR . 6223 1 86 . THR . 6223 1 87 . THR . 6223 1 88 . LEU . 6223 1 89 . SER . 6223 1 90 . PRO . 6223 1 91 . CYS . 6223 1 92 . ASP . 6223 1 93 . MET . 6223 1 94 . CYS . 6223 1 95 . THR . 6223 1 96 . GLY . 6223 1 97 . ALA . 6223 1 98 . ILE . 6223 1 99 . ILE . 6223 1 100 . MET . 6223 1 101 . TYR . 6223 1 102 . GLY . 6223 1 103 . ILE . 6223 1 104 . PRO . 6223 1 105 . ARG . 6223 1 106 . CYS . 6223 1 107 . VAL . 6223 1 108 . VAL . 6223 1 109 . GLY . 6223 1 110 . GLU . 6223 1 111 . ASN . 6223 1 112 . VAL . 6223 1 113 . ASN . 6223 1 114 . PHE . 6223 1 115 . LYS . 6223 1 116 . SER . 6223 1 117 . LYS . 6223 1 118 . GLY . 6223 1 119 . GLU . 6223 1 120 . LYS . 6223 1 121 . TYR . 6223 1 122 . LEU . 6223 1 123 . GLN . 6223 1 124 . THR . 6223 1 125 . ARG . 6223 1 126 . GLY . 6223 1 127 . HIS . 6223 1 128 . GLU . 6223 1 129 . VAL . 6223 1 130 . VAL . 6223 1 131 . VAL . 6223 1 132 . VAL . 6223 1 133 . ASP . 6223 1 134 . ASP . 6223 1 135 . GLU . 6223 1 136 . ARG . 6223 1 137 . CYS . 6223 1 138 . LYS . 6223 1 139 . LYS . 6223 1 140 . ILE . 6223 1 141 . MET . 6223 1 142 . LYS . 6223 1 143 . GLN . 6223 1 144 . PHE . 6223 1 145 . ILE . 6223 1 146 . ASP . 6223 1 147 . GLU . 6223 1 148 . ARG . 6223 1 149 . PRO . 6223 1 150 . GLN . 6223 1 151 . ASP . 6223 1 152 . TRP . 6223 1 153 . PHE . 6223 1 154 . GLU . 6223 1 155 . ASP . 6223 1 156 . ILE . 6223 1 157 . GLY . 6223 1 158 . GLU . 6223 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 6223 1 . VAL 2 2 6223 1 . THR 3 3 6223 1 . GLY 4 4 6223 1 . GLY 5 5 6223 1 . MET 6 6 6223 1 . ALA 7 7 6223 1 . SER 8 8 6223 1 . LYS 9 9 6223 1 . TRP 10 10 6223 1 . ASP 11 11 6223 1 . GLN 12 12 6223 1 . LYS 13 13 6223 1 . GLY 14 14 6223 1 . MET 15 15 6223 1 . ASP 16 16 6223 1 . ILE 17 17 6223 1 . ALA 18 18 6223 1 . TYR 19 19 6223 1 . GLU 20 20 6223 1 . GLU 21 21 6223 1 . ALA 22 22 6223 1 . ALA 23 23 6223 1 . LEU 24 24 6223 1 . GLY 25 25 6223 1 . TYR 26 26 6223 1 . LYS 27 27 6223 1 . GLU 28 28 6223 1 . GLY 29 29 6223 1 . GLY 30 30 6223 1 . VAL 31 31 6223 1 . PRO 32 32 6223 1 . ILE 33 33 6223 1 . GLY 34 34 6223 1 . GLY 35 35 6223 1 . CYS 36 36 6223 1 . LEU 37 37 6223 1 . ILE 38 38 6223 1 . ASN 39 39 6223 1 . ASN 40 40 6223 1 . LYS 41 41 6223 1 . ASP 42 42 6223 1 . GLY 43 43 6223 1 . SER 44 44 6223 1 . VAL 45 45 6223 1 . LEU 46 46 6223 1 . GLY 47 47 6223 1 . ARG 48 48 6223 1 . GLY 49 49 6223 1 . HIS 50 50 6223 1 . ASN 51 51 6223 1 . MET 52 52 6223 1 . ARG 53 53 6223 1 . PHE 54 54 6223 1 . GLN 55 55 6223 1 . LYS 56 56 6223 1 . GLY 57 57 6223 1 . SER 58 58 6223 1 . ALA 59 59 6223 1 . THR 60 60 6223 1 . LEU 61 61 6223 1 . HIS 62 62 6223 1 . GLY 63 63 6223 1 . GLU 64 64 6223 1 . ILE 65 65 6223 1 . SER 66 66 6223 1 . THR 67 67 6223 1 . LEU 68 68 6223 1 . GLU 69 69 6223 1 . ASN 70 70 6223 1 . CYS 71 71 6223 1 . GLY 72 72 6223 1 . ARG 73 73 6223 1 . LEU 74 74 6223 1 . GLU 75 75 6223 1 . GLY 76 76 6223 1 . LYS 77 77 6223 1 . VAL 78 78 6223 1 . TYR 79 79 6223 1 . LYS 80 80 6223 1 . ASP 81 81 6223 1 . THR 82 82 6223 1 . THR 83 83 6223 1 . LEU 84 84 6223 1 . TYR 85 85 6223 1 . THR 86 86 6223 1 . THR 87 87 6223 1 . LEU 88 88 6223 1 . SER 89 89 6223 1 . PRO 90 90 6223 1 . CYS 91 91 6223 1 . ASP 92 92 6223 1 . MET 93 93 6223 1 . CYS 94 94 6223 1 . THR 95 95 6223 1 . GLY 96 96 6223 1 . ALA 97 97 6223 1 . ILE 98 98 6223 1 . ILE 99 99 6223 1 . MET 100 100 6223 1 . TYR 101 101 6223 1 . GLY 102 102 6223 1 . ILE 103 103 6223 1 . PRO 104 104 6223 1 . ARG 105 105 6223 1 . CYS 106 106 6223 1 . VAL 107 107 6223 1 . VAL 108 108 6223 1 . GLY 109 109 6223 1 . GLU 110 110 6223 1 . ASN 111 111 6223 1 . VAL 112 112 6223 1 . ASN 113 113 6223 1 . PHE 114 114 6223 1 . LYS 115 115 6223 1 . SER 116 116 6223 1 . LYS 117 117 6223 1 . GLY 118 118 6223 1 . GLU 119 119 6223 1 . LYS 120 120 6223 1 . TYR 121 121 6223 1 . LEU 122 122 6223 1 . GLN 123 123 6223 1 . THR 124 124 6223 1 . ARG 125 125 6223 1 . GLY 126 126 6223 1 . HIS 127 127 6223 1 . GLU 128 128 6223 1 . VAL 129 129 6223 1 . VAL 130 130 6223 1 . VAL 131 131 6223 1 . VAL 132 132 6223 1 . ASP 133 133 6223 1 . ASP 134 134 6223 1 . GLU 135 135 6223 1 . ARG 136 136 6223 1 . CYS 137 137 6223 1 . LYS 138 138 6223 1 . LYS 139 139 6223 1 . ILE 140 140 6223 1 . MET 141 141 6223 1 . LYS 142 142 6223 1 . GLN 143 143 6223 1 . PHE 144 144 6223 1 . ILE 145 145 6223 1 . ASP 146 146 6223 1 . GLU 147 147 6223 1 . ARG 148 148 6223 1 . PRO 149 149 6223 1 . GLN 150 150 6223 1 . ASP 151 151 6223 1 . TRP 152 152 6223 1 . PHE 153 153 6223 1 . GLU 154 154 6223 1 . ASP 155 155 6223 1 . ILE 156 156 6223 1 . GLY 157 157 6223 1 . GLU 158 158 6223 1 stop_ save_ save_PYR1 _Entity.Sf_category entity _Entity.Sf_framecode PYR1 _Entity.Entry_ID 6223 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name '5-fluorine, 2-hydroxypyrimidine' _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 . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID 1 _Entity.Nonpolymer_comp_label $chem_comp_PYR1 _Entity.Number_of_monomers 1 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '5-fluorine, 2-hydroxypyrimidine' common 6223 2 PYR1 abbreviation 6223 2 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 . PYR1 . 6223 2 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 . PYR1 1 1 6223 2 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6223 _Entity.ID 3 _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 3 _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 . 6223 3 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 6223 _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 $YCD . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 6223 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 6223 _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 $YCD . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6223 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 6223 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 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 6223 ZN InChI=1/Zn/q+2 InChI InChI 1.02b 6223 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 6223 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6223 ZN [Zn++] SMILES CACTVS 3.341 6223 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6223 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6223 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 6223 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6223 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 . 6223 ZN stop_ save_ save_chem_comp_PYR1 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PYR1 _Chem_comp.Entry_ID 6223 _Chem_comp.ID 1 _Chem_comp.Provenance . _Chem_comp.Name 5-fluoropyrimidin-2-one _Chem_comp.Type non-polymer _Chem_comp.BMRB_code bmse099991 _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C4H3FN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8) _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 . _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula 'C4 H3 N2 O F' _Chem_comp.Formula_weight 114.0778232 _Chem_comp.Formula_mono_iso_wt_nat 114.0229409288 _Chem_comp.Formula_mono_iso_wt_13C 118.03636028 _Chem_comp.Formula_mono_iso_wt_15N 116.0170107152 _Chem_comp.Formula_mono_iso_wt_13C_15N 120.0304300664 _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_common_name.Name _Chem_comp_common_name.Type _Chem_comp_common_name.Entry_ID _Chem_comp_common_name.Comp_ID 5-Fluoro-2(1H)-pyrimidone synonym 6223 1 656445_ALDRICH synonym 6223 1 5-Fluoro-2-hydroxypyrimidine synonym 6223 1 2-Hydroxy-5-fluoropyrimidine synonym 6223 1 '2(1H)-Pyrimidinone, 5-fluoro-' synonym 6223 1 stop_ loop_ _Chem_comp_systematic_name.Name _Chem_comp_systematic_name.Naming_system _Chem_comp_systematic_name.Entry_ID _Chem_comp_systematic_name.Comp_ID 5-fluoro-1H-pyrimidin-2-one PUBCHEM_IUPAC_NAME 6223 1 5-fluoro-1H-pyrimidin-2-one PUBCHEM_IUPAC_TRADITIONAL_NAME 6223 1 5-fluoro-1H-pyrimidin-2-one PUBCHEM_IUPAC_OPENEYE_NAME 6223 1 5-fluoro-1H-pyrimidin-2-one PUBCHEM_IUPAC_CAS_NAME 6223 1 5-fluoranyl-1H-pyrimidin-2-one PUBCHEM_IUPAC_SYSTEMATIC_NAME 6223 1 stop_ loop_ _Chem_comp_SMILES.Type _Chem_comp_SMILES.String _Chem_comp_SMILES.Entry_ID _Chem_comp_SMILES.Comp_ID Canonical C1=C(C=NC(=O)N1)F 6223 1 Isomeric C1=C(C=NC(=O)N1)F 6223 1 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 F1 . . . . F . . . . . . . . . . . . 5.4641 1.3100 . . . . . . . . . . . 6223 1 O2 . . . . O . . . . . . . . . . . . 2.0000 -0.6900 . . . . . . . . . . . 6223 1 N3 . . . . N . . . . . . . . . . . . 3.7320 -0.6900 . . . . . . . . . . . 6223 1 N4 . . . . N . . . . . . . . . . . . 2.8660 0.8100 . . . . . . . . . . . 6223 1 C5 . . . . C . . . . . . . . . . . . 4.5981 -0.1900 . . . . . . . . . . . 6223 1 C6 . . . . C . . . . . . . . . . . . 4.5981 0.8100 . . . . . . . . . . . 6223 1 C7 . . . . C . . . . . . . . . . . . 2.8660 -0.1900 . . . . . . . . . . . 6223 1 C8 . . . . C . . . . . . . . . . . . 3.7320 1.3100 . . . . . . . . . . . 6223 1 H9 . . . . H . . . . . . . . . . . . 5.1350 -0.5000 . . . . . . . . . . . 6223 1 H10 . . . . H . . . . . . . . . . . . 3.7320 -1.3100 . . . . . . . . . . . 6223 1 H11 . . . . H . . . . . . . . . . . . 3.7320 1.9300 . . . . . . . . . . . 6223 1 stop_ loop_ _Atom_nomenclature.Atom_ID _Atom_nomenclature.Atom_name _Atom_nomenclature.Naming_system _Atom_nomenclature.Entry_ID _Atom_nomenclature.Comp_ID F1 F1 . 6223 1 O2 O2 . 6223 1 N3 N3 . 6223 1 N4 N4 . 6223 1 C5 C5 . 6223 1 C6 C6 . 6223 1 C7 C7 . 6223 1 C8 C8 . 6223 1 H9 H9 . 6223 1 H10 H10 . 6223 1 H11 H11 . 6223 1 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 covalent SING F1 C6 . . . . 6223 1 2 covalent DOUB O2 C7 . . . . 6223 1 3 covalent SING N3 C5 . . . . 6223 1 4 covalent SING N3 C7 . . . . 6223 1 5 covalent SING N3 H10 . . . . 6223 1 6 covalent SING N4 C7 . . . . 6223 1 7 covalent DOUB N4 C8 . . . . 6223 1 8 covalent DOUB C5 C6 . . . . 6223 1 9 covalent SING C5 H9 . . . . 6223 1 10 covalent SING C6 C8 . . . . 6223 1 11 covalent SING C8 H11 . . . . 6223 1 stop_ loop_ _Chem_comp_db_link.Author_supplied _Chem_comp_db_link.Database_code _Chem_comp_db_link.Accession_code _Chem_comp_db_link.Accession_code_type _Chem_comp_db_link.Entry_mol_code _Chem_comp_db_link.Entry_mol_name _Chem_comp_db_link.Entry_experimental_method _Chem_comp_db_link.Entry_relation_type _Chem_comp_db_link.Entry_details _Chem_comp_db_link.Entry_ID _Chem_comp_db_link.Comp_ID yes PubChem 101498 cid . 5-fluoropyrimidin-2-one . 'matching entry' . 6223 1 no PubChem 10512737 sid . 5-fluoropyrimidin-2-one . 'matching entry' . 6223 1 no PubChem 24884205 sid . 5-fluoropyrimidin-2-one . 'matching entry' . 6223 1 no Sigma-Aldrich 656445_ALDRICH . . 5-fluoropyrimidin-2-one . 'matching entry' . 6223 1 no 'NIST Chemistry WebBook' 1708270717 . . 5-fluoropyrimidin-2-one . 'matching entry' . 6223 1 stop_ loop_ _Chem_comp_citation.Citation_ID _Chem_comp_citation.Citation_label _Chem_comp_citation.Entry_ID _Chem_comp_citation.Comp_ID 1 . 6223 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6223 _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 'Yeast cytosine deaminase' '[U-70% 2H, U-100% 13C, U-100% 15N]' . . 1 $YCD . . 1.8 . . mM . . . . 6223 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6223 _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 7.0 0.1 pH 6223 1 temperature 298 0.5 K 6223 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6223 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6223 _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 Varian INOVA . 600 . . . 6223 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 6223 _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 . . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6223 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 6223 _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 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6223 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6223 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6223 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6223 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 . 6223 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 9 9 LYS C C 13 177.0 . . 1 . . . . . . . . 6223 1 2 . 1 1 9 9 LYS CA C 13 57.9 . . 1 . . . . . . . . 6223 1 3 . 1 1 9 9 LYS CB C 13 29.4 . . 1 . . . . . . . . 6223 1 4 . 1 1 10 10 TRP N N 15 118.3 . . 1 . . . . . . . . 6223 1 5 . 1 1 10 10 TRP C C 13 175.9 . . 1 . . . . . . . . 6223 1 6 . 1 1 10 10 TRP CA C 13 54.6 . . 1 . . . . . . . . 6223 1 7 . 1 1 10 10 TRP CB C 13 29.4 . . 1 . . . . . . . . 6223 1 8 . 1 1 10 10 TRP H H 1 7.92 . . 1 . . . . . . . . 6223 1 9 . 1 1 10 10 TRP HA H 1 5.23 . . 1 . . . . . . . . 6223 1 10 . 1 1 11 11 ASP N N 15 118.3 . . 1 . . . . . . . . 6223 1 11 . 1 1 11 11 ASP C C 13 176.1 . . 1 . . . . . . . . 6223 1 12 . 1 1 11 11 ASP CA C 13 57.0 . . 1 . . . . . . . . 6223 1 13 . 1 1 11 11 ASP CB C 13 38.9 . . 1 . . . . . . . . 6223 1 14 . 1 1 11 11 ASP H H 1 7.58 . . 1 . . . . . . . . 6223 1 15 . 1 1 11 11 ASP HA H 1 3.93 . . 1 . . . . . . . . 6223 1 16 . 1 1 12 12 GLN N N 15 121.9 . . 1 . . . . . . . . 6223 1 17 . 1 1 12 12 GLN C C 13 177.2 . . 1 . . . . . . . . 6223 1 18 . 1 1 12 12 GLN CA C 13 58.6 . . 1 . . . . . . . . 6223 1 19 . 1 1 12 12 GLN CB C 13 27.2 . . 1 . . . . . . . . 6223 1 20 . 1 1 12 12 GLN H H 1 8.38 . . 1 . . . . . . . . 6223 1 21 . 1 1 12 12 GLN HA H 1 4.05 . . 1 . . . . . . . . 6223 1 22 . 1 1 13 13 LYS N N 15 121.1 . . 1 . . . . . . . . 6223 1 23 . 1 1 13 13 LYS C C 13 178.9 . . 1 . . . . . . . . 6223 1 24 . 1 1 13 13 LYS CA C 13 58.7 . . 1 . . . . . . . . 6223 1 25 . 1 1 13 13 LYS CB C 13 31.8 . . 1 . . . . . . . . 6223 1 26 . 1 1 13 13 LYS H H 1 8.09 . . 1 . . . . . . . . 6223 1 27 . 1 1 13 13 LYS HA H 1 4.03 . . 1 . . . . . . . . 6223 1 28 . 1 1 14 14 GLY N N 15 104.7 . . 1 . . . . . . . . 6223 1 29 . 1 1 14 14 GLY C C 13 179.6 . . 1 . . . . . . . . 6223 1 30 . 1 1 14 14 GLY CA C 13 46.1 . . 1 . . . . . . . . 6223 1 31 . 1 1 14 14 GLY H H 1 8.50 . . 1 . . . . . . . . 6223 1 32 . 1 1 14 14 GLY HA2 H 1 3.05 . . 1 . . . . . . . . 6223 1 33 . 1 1 15 15 MET N N 15 119.0 . . 1 . . . . . . . . 6223 1 34 . 1 1 15 15 MET C C 13 178.2 . . 1 . . . . . . . . 6223 1 35 . 1 1 15 15 MET CA C 13 54.3 . . 1 . . . . . . . . 6223 1 36 . 1 1 15 15 MET CB C 13 29.2 . . 1 . . . . . . . . 6223 1 37 . 1 1 15 15 MET H H 1 7.47 . . 1 . . . . . . . . 6223 1 38 . 1 1 15 15 MET HA H 1 4.72 . . 1 . . . . . . . . 6223 1 39 . 1 1 16 16 ASP N N 15 120.4 . . 1 . . . . . . . . 6223 1 40 . 1 1 16 16 ASP C C 13 180.0 . . 1 . . . . . . . . 6223 1 41 . 1 1 16 16 ASP CA C 13 57.7 . . 1 . . . . . . . . 6223 1 42 . 1 1 16 16 ASP CB C 13 38.7 . . 1 . . . . . . . . 6223 1 43 . 1 1 16 16 ASP H H 1 8.32 . . 1 . . . . . . . . 6223 1 44 . 1 1 16 16 ASP HA H 1 4.49 . . 1 . . . . . . . . 6223 1 45 . 1 1 17 17 ILE N N 15 122.1 . . 1 . . . . . . . . 6223 1 46 . 1 1 17 17 ILE C C 13 177.3 . . 1 . . . . . . . . 6223 1 47 . 1 1 17 17 ILE CA C 13 65.5 . . 1 . . . . . . . . 6223 1 48 . 1 1 17 17 ILE CB C 13 37.2 . . 1 . . . . . . . . 6223 1 49 . 1 1 17 17 ILE H H 1 8.09 . . 1 . . . . . . . . 6223 1 50 . 1 1 17 17 ILE HA H 1 3.68 . . 1 . . . . . . . . 6223 1 51 . 1 1 18 18 ALA N N 15 122.5 . . 1 . . . . . . . . 6223 1 52 . 1 1 18 18 ALA C C 13 179.2 . . 1 . . . . . . . . 6223 1 53 . 1 1 18 18 ALA CA C 13 55.7 . . 1 . . . . . . . . 6223 1 54 . 1 1 18 18 ALA CB C 13 17.3 . . 1 . . . . . . . . 6223 1 55 . 1 1 18 18 ALA H H 1 8.25 . . 1 . . . . . . . . 6223 1 56 . 1 1 18 18 ALA HA H 1 3.77 . . 1 . . . . . . . . 6223 1 57 . 1 1 19 19 TYR N N 15 117.6 . . 1 . . . . . . . . 6223 1 58 . 1 1 19 19 TYR C C 13 176.2 . . 1 . . . . . . . . 6223 1 59 . 1 1 19 19 TYR CA C 13 62.3 . . 1 . . . . . . . . 6223 1 60 . 1 1 19 19 TYR CB C 13 36.9 . . 1 . . . . . . . . 6223 1 61 . 1 1 19 19 TYR H H 1 8.91 . . 1 . . . . . . . . 6223 1 62 . 1 1 19 19 TYR HA H 1 4.02 . . 1 . . . . . . . . 6223 1 63 . 1 1 20 20 GLU N N 15 121.0 . . 1 . . . . . . . . 6223 1 64 . 1 1 20 20 GLU C C 13 180.6 . . 1 . . . . . . . . 6223 1 65 . 1 1 20 20 GLU CA C 13 59.6 . . 1 . . . . . . . . 6223 1 66 . 1 1 20 20 GLU CB C 13 28.7 . . 1 . . . . . . . . 6223 1 67 . 1 1 20 20 GLU H H 1 8.26 . . 1 . . . . . . . . 6223 1 68 . 1 1 20 20 GLU HA H 1 3.64 . . 1 . . . . . . . . 6223 1 69 . 1 1 21 21 GLU N N 15 118.2 . . 1 . . . . . . . . 6223 1 70 . 1 1 21 21 GLU C C 13 177.8 . . 1 . . . . . . . . 6223 1 71 . 1 1 21 21 GLU CA C 13 58.8 . . 1 . . . . . . . . 6223 1 72 . 1 1 21 21 GLU CB C 13 29.3 . . 1 . . . . . . . . 6223 1 73 . 1 1 21 21 GLU H H 1 8.23 . . 1 . . . . . . . . 6223 1 74 . 1 1 21 21 GLU HA H 1 3.71 . . 1 . . . . . . . . 6223 1 75 . 1 1 22 22 ALA N N 15 124.8 . . 1 . . . . . . . . 6223 1 76 . 1 1 22 22 ALA C C 13 178.9 . . 1 . . . . . . . . 6223 1 77 . 1 1 22 22 ALA CA C 13 55.6 . . 1 . . . . . . . . 6223 1 78 . 1 1 22 22 ALA CB C 13 17.7 . . 1 . . . . . . . . 6223 1 79 . 1 1 22 22 ALA H H 1 8.03 . . 1 . . . . . . . . 6223 1 80 . 1 1 22 22 ALA HA H 1 3.52 . . 1 . . . . . . . . 6223 1 81 . 1 1 23 23 ALA N N 15 119.4 . . 1 . . . . . . . . 6223 1 82 . 1 1 23 23 ALA C C 13 180.9 . . 1 . . . . . . . . 6223 1 83 . 1 1 23 23 ALA CA C 13 54.2 . . 1 . . . . . . . . 6223 1 84 . 1 1 23 23 ALA CB C 13 16.4 . . 1 . . . . . . . . 6223 1 85 . 1 1 23 23 ALA H H 1 8.43 . . 1 . . . . . . . . 6223 1 86 . 1 1 23 23 ALA HA H 1 3.72 . . 1 . . . . . . . . 6223 1 87 . 1 1 24 24 LEU N N 15 122.7 . . 1 . . . . . . . . 6223 1 88 . 1 1 24 24 LEU C C 13 178.8 . . 1 . . . . . . . . 6223 1 89 . 1 1 24 24 LEU CA C 13 57.0 . . 1 . . . . . . . . 6223 1 90 . 1 1 24 24 LEU CB C 13 41.0 . . 1 . . . . . . . . 6223 1 91 . 1 1 24 24 LEU H H 1 7.93 . . 1 . . . . . . . . 6223 1 92 . 1 1 24 24 LEU HA H 1 3.95 . . 1 . . . . . . . . 6223 1 93 . 1 1 25 25 GLY N N 15 106.5 . . 1 . . . . . . . . 6223 1 94 . 1 1 25 25 GLY C C 13 176.5 . . 1 . . . . . . . . 6223 1 95 . 1 1 25 25 GLY CA C 13 48.1 . . 1 . . . . . . . . 6223 1 96 . 1 1 25 25 GLY H H 1 7.83 . . 1 . . . . . . . . 6223 1 97 . 1 1 25 25 GLY HA2 H 1 3.75 . . 1 . . . . . . . . 6223 1 98 . 1 1 25 25 GLY HA3 H 1 3.25 . . 1 . . . . . . . . 6223 1 99 . 1 1 26 26 TYR N N 15 120.6 . . 1 . . . . . . . . 6223 1 100 . 1 1 26 26 TYR C C 13 180.9 . . 1 . . . . . . . . 6223 1 101 . 1 1 26 26 TYR CA C 13 60.5 . . 1 . . . . . . . . 6223 1 102 . 1 1 26 26 TYR CB C 13 38.6 . . 1 . . . . . . . . 6223 1 103 . 1 1 26 26 TYR H H 1 8.34 . . 1 . . . . . . . . 6223 1 104 . 1 1 26 26 TYR HA H 1 3.95 . . 1 . . . . . . . . 6223 1 105 . 1 1 27 27 LYS N N 15 122.7 . . 1 . . . . . . . . 6223 1 106 . 1 1 27 27 LYS C C 13 178.3 . . 1 . . . . . . . . 6223 1 107 . 1 1 27 27 LYS CA C 13 58.8 . . 1 . . . . . . . . 6223 1 108 . 1 1 27 27 LYS CB C 13 31.6 . . 1 . . . . . . . . 6223 1 109 . 1 1 27 27 LYS H H 1 7.93 . . 1 . . . . . . . . 6223 1 110 . 1 1 27 27 LYS HA H 1 3.95 . . 1 . . . . . . . . 6223 1 111 . 1 1 28 28 GLU N N 15 117.4 . . 1 . . . . . . . . 6223 1 112 . 1 1 28 28 GLU C C 13 176.8 . . 1 . . . . . . . . 6223 1 113 . 1 1 28 28 GLU CA C 13 56.3 . . 1 . . . . . . . . 6223 1 114 . 1 1 28 28 GLU CB C 13 30.4 . . 1 . . . . . . . . 6223 1 115 . 1 1 28 28 GLU H H 1 7.82 . . 1 . . . . . . . . 6223 1 116 . 1 1 28 28 GLU HA H 1 4.12 . . 1 . . . . . . . . 6223 1 117 . 1 1 29 29 GLY N N 15 106.1 . . 1 . . . . . . . . 6223 1 118 . 1 1 29 29 GLY C C 13 176.0 . . 1 . . . . . . . . 6223 1 119 . 1 1 29 29 GLY CA C 13 44.8 . . 1 . . . . . . . . 6223 1 120 . 1 1 29 29 GLY H H 1 7.74 . . 1 . . . . . . . . 6223 1 121 . 1 1 29 29 GLY HA2 H 1 4.26 . . 1 . . . . . . . . 6223 1 122 . 1 1 29 29 GLY HA3 H 1 3.70 . . 1 . . . . . . . . 6223 1 123 . 1 1 30 30 GLY N N 15 110.0 . . 1 . . . . . . . . 6223 1 124 . 1 1 30 30 GLY C C 13 172.6 . . 1 . . . . . . . . 6223 1 125 . 1 1 30 30 GLY CA C 13 43.0 . . 1 . . . . . . . . 6223 1 126 . 1 1 30 30 GLY H H 1 8.42 . . 1 . . . . . . . . 6223 1 127 . 1 1 30 30 GLY HA2 H 1 4.28 . . 1 . . . . . . . . 6223 1 128 . 1 1 30 30 GLY HA3 H 1 3.95 . . 1 . . . . . . . . 6223 1 129 . 1 1 31 31 VAL N N 15 119.1 . . 1 . . . . . . . . 6223 1 130 . 1 1 31 31 VAL CA C 13 59.1 . . 1 . . . . . . . . 6223 1 131 . 1 1 31 31 VAL CB C 13 32.2 . . 1 . . . . . . . . 6223 1 132 . 1 1 31 31 VAL H H 1 8.51 . . 1 . . . . . . . . 6223 1 133 . 1 1 31 31 VAL HA H 1 3.97 . . 1 . . . . . . . . 6223 1 134 . 1 1 32 32 PRO C C 13 179.1 . . 1 . . . . . . . . 6223 1 135 . 1 1 32 32 PRO CA C 13 61.4 . . 1 . . . . . . . . 6223 1 136 . 1 1 32 32 PRO CB C 13 29.4 . . 1 . . . . . . . . 6223 1 137 . 1 1 33 33 ILE N N 15 123.9 . . 1 . . . . . . . . 6223 1 138 . 1 1 33 33 ILE C C 13 175.2 . . 1 . . . . . . . . 6223 1 139 . 1 1 33 33 ILE CA C 13 61.2 . . 1 . . . . . . . . 6223 1 140 . 1 1 33 33 ILE CB C 13 42.2 . . 1 . . . . . . . . 6223 1 141 . 1 1 33 33 ILE H H 1 8.10 . . 1 . . . . . . . . 6223 1 142 . 1 1 33 33 ILE HA H 1 4.02 . . 1 . . . . . . . . 6223 1 143 . 1 1 34 34 GLY N N 15 113.9 . . 1 . . . . . . . . 6223 1 144 . 1 1 34 34 GLY C C 13 173.0 . . 1 . . . . . . . . 6223 1 145 . 1 1 34 34 GLY CA C 13 43.4 . . 1 . . . . . . . . 6223 1 146 . 1 1 34 34 GLY H H 1 8.50 . . 1 . . . . . . . . 6223 1 147 . 1 1 34 34 GLY HA2 H 1 4.32 . . 1 . . . . . . . . 6223 1 148 . 1 1 34 34 GLY HA3 H 1 5.14 . . 1 . . . . . . . . 6223 1 149 . 1 1 35 35 GLY N N 15 108.1 . . 1 . . . . . . . . 6223 1 150 . 1 1 35 35 GLY C C 13 170.0 . . 1 . . . . . . . . 6223 1 151 . 1 1 35 35 GLY CA C 13 45.5 . . 1 . . . . . . . . 6223 1 152 . 1 1 35 35 GLY H H 1 9.18 . . 1 . . . . . . . . 6223 1 153 . 1 1 35 35 GLY HA2 H 1 3.98 . . 1 . . . . . . . . 6223 1 154 . 1 1 35 35 GLY HA3 H 1 3.22 . . 1 . . . . . . . . 6223 1 155 . 1 1 36 36 CYS N N 15 110.2 . . 1 . . . . . . . . 6223 1 156 . 1 1 36 36 CYS C C 13 171.3 . . 1 . . . . . . . . 6223 1 157 . 1 1 36 36 CYS CA C 13 58.1 . . 1 . . . . . . . . 6223 1 158 . 1 1 36 36 CYS CB C 13 30.9 . . 1 . . . . . . . . 6223 1 159 . 1 1 36 36 CYS H H 1 8.70 . . 1 . . . . . . . . 6223 1 160 . 1 1 36 36 CYS HA H 1 5.10 . . 1 . . . . . . . . 6223 1 161 . 1 1 37 37 LEU N N 15 127.0 . . 1 . . . . . . . . 6223 1 162 . 1 1 37 37 LEU C C 13 175.0 . . 1 . . . . . . . . 6223 1 163 . 1 1 37 37 LEU CA C 13 53.6 . . 1 . . . . . . . . 6223 1 164 . 1 1 37 37 LEU CB C 13 45.0 . . 1 . . . . . . . . 6223 1 165 . 1 1 37 37 LEU H H 1 8.42 . . 1 . . . . . . . . 6223 1 166 . 1 1 37 37 LEU HA H 1 5.60 . . 1 . . . . . . . . 6223 1 167 . 1 1 38 38 ILE N N 15 128.5 . . 1 . . . . . . . . 6223 1 168 . 1 1 38 38 ILE C C 13 174.9 . . 1 . . . . . . . . 6223 1 169 . 1 1 38 38 ILE CA C 13 58.9 . . 1 . . . . . . . . 6223 1 170 . 1 1 38 38 ILE CB C 13 42.4 . . 1 . . . . . . . . 6223 1 171 . 1 1 38 38 ILE H H 1 8.88 . . 1 . . . . . . . . 6223 1 172 . 1 1 38 38 ILE HA H 1 5.09 . . 1 . . . . . . . . 6223 1 173 . 1 1 39 39 ASN N N 15 123.5 . . 1 . . . . . . . . 6223 1 174 . 1 1 39 39 ASN C C 13 175.4 . . 1 . . . . . . . . 6223 1 175 . 1 1 39 39 ASN CA C 13 53.0 . . 1 . . . . . . . . 6223 1 176 . 1 1 39 39 ASN CB C 13 38.9 . . 1 . . . . . . . . 6223 1 177 . 1 1 39 39 ASN H H 1 8.75 . . 1 . . . . . . . . 6223 1 178 . 1 1 39 39 ASN HA H 1 4.54 . . 1 . . . . . . . . 6223 1 179 . 1 1 40 40 ASN N N 15 125.6 . . 1 . . . . . . . . 6223 1 180 . 1 1 40 40 ASN C C 13 177.7 . . 1 . . . . . . . . 6223 1 181 . 1 1 40 40 ASN CA C 13 55.6 . . 1 . . . . . . . . 6223 1 182 . 1 1 40 40 ASN CB C 13 37.3 . . 1 . . . . . . . . 6223 1 183 . 1 1 40 40 ASN H H 1 8.86 . . 1 . . . . . . . . 6223 1 184 . 1 1 40 40 ASN HA H 1 4.50 . . 1 . . . . . . . . 6223 1 185 . 1 1 41 41 LYS N N 15 117.9 . . 1 . . . . . . . . 6223 1 186 . 1 1 41 41 LYS C C 13 178.3 . . 1 . . . . . . . . 6223 1 187 . 1 1 41 41 LYS CA C 13 58.9 . . 1 . . . . . . . . 6223 1 188 . 1 1 41 41 LYS CB C 13 31.9 . . 1 . . . . . . . . 6223 1 189 . 1 1 41 41 LYS H H 1 8.73 . . 1 . . . . . . . . 6223 1 190 . 1 1 41 41 LYS HA H 1 4.33 . . 1 . . . . . . . . 6223 1 191 . 1 1 42 42 ASP N N 15 113.3 . . 1 . . . . . . . . 6223 1 192 . 1 1 42 42 ASP C C 13 176.5 . . 1 . . . . . . . . 6223 1 193 . 1 1 42 42 ASP CA C 13 52.3 . . 1 . . . . . . . . 6223 1 194 . 1 1 42 42 ASP CB C 13 41.6 . . 1 . . . . . . . . 6223 1 195 . 1 1 42 42 ASP H H 1 7.10 . . 1 . . . . . . . . 6223 1 196 . 1 1 42 42 ASP HA H 1 4.84 . . 1 . . . . . . . . 6223 1 197 . 1 1 43 43 GLY N N 15 112.1 . . 1 . . . . . . . . 6223 1 198 . 1 1 43 43 GLY C C 13 173.6 . . 1 . . . . . . . . 6223 1 199 . 1 1 43 43 GLY CA C 13 44.0 . . 1 . . . . . . . . 6223 1 200 . 1 1 43 43 GLY H H 1 7.81 . . 1 . . . . . . . . 6223 1 201 . 1 1 43 43 GLY HA2 H 1 3.29 . . 1 . . . . . . . . 6223 1 202 . 1 1 43 43 GLY HA3 H 1 2.96 . . 1 . . . . . . . . 6223 1 203 . 1 1 44 44 SER N N 15 116.6 . . 1 . . . . . . . . 6223 1 204 . 1 1 44 44 SER C C 13 173.2 . . 1 . . . . . . . . 6223 1 205 . 1 1 44 44 SER CA C 13 58.8 . . 1 . . . . . . . . 6223 1 206 . 1 1 44 44 SER CB C 13 63.3 . . 1 . . . . . . . . 6223 1 207 . 1 1 44 44 SER H H 1 8.00 . . 1 . . . . . . . . 6223 1 208 . 1 1 44 44 SER HA H 1 3.93 . . 1 . . . . . . . . 6223 1 209 . 1 1 45 45 VAL N N 15 123.4 . . 1 . . . . . . . . 6223 1 210 . 1 1 45 45 VAL C C 13 176.9 . . 1 . . . . . . . . 6223 1 211 . 1 1 45 45 VAL CA C 13 61.8 . . 1 . . . . . . . . 6223 1 212 . 1 1 45 45 VAL CB C 13 30.9 . . 1 . . . . . . . . 6223 1 213 . 1 1 45 45 VAL H H 1 8.57 . . 1 . . . . . . . . 6223 1 214 . 1 1 45 45 VAL HA H 1 4.11 . . 1 . . . . . . . . 6223 1 215 . 1 1 46 46 LEU N N 15 131.9 . . 1 . . . . . . . . 6223 1 216 . 1 1 46 46 LEU C C 13 176.9 . . 1 . . . . . . . . 6223 1 217 . 1 1 46 46 LEU CA C 13 56.6 . . 1 . . . . . . . . 6223 1 218 . 1 1 46 46 LEU CB C 13 41.3 . . 1 . . . . . . . . 6223 1 219 . 1 1 46 46 LEU H H 1 9.15 . . 1 . . . . . . . . 6223 1 220 . 1 1 46 46 LEU HA H 1 4.20 . . 1 . . . . . . . . 6223 1 221 . 1 1 47 47 GLY N N 15 104.7 . . 1 . . . . . . . . 6223 1 222 . 1 1 47 47 GLY C C 13 170.5 . . 1 . . . . . . . . 6223 1 223 . 1 1 47 47 GLY CA C 13 44.9 . . 1 . . . . . . . . 6223 1 224 . 1 1 47 47 GLY H H 1 7.35 . . 1 . . . . . . . . 6223 1 225 . 1 1 47 47 GLY HA2 H 1 4.38 . . 1 . . . . . . . . 6223 1 226 . 1 1 47 47 GLY HA3 H 1 4.15 . . 1 . . . . . . . . 6223 1 227 . 1 1 48 48 ARG N N 15 116.1 . . 1 . . . . . . . . 6223 1 228 . 1 1 48 48 ARG C C 13 173.7 . . 1 . . . . . . . . 6223 1 229 . 1 1 48 48 ARG CA C 13 54.6 . . 1 . . . . . . . . 6223 1 230 . 1 1 48 48 ARG CB C 13 33.5 . . 1 . . . . . . . . 6223 1 231 . 1 1 48 48 ARG H H 1 8.47 . . 1 . . . . . . . . 6223 1 232 . 1 1 48 48 ARG HA H 1 5.18 . . 1 . . . . . . . . 6223 1 233 . 1 1 49 49 GLY N N 15 109.3 . . 1 . . . . . . . . 6223 1 234 . 1 1 49 49 GLY C C 13 172.9 . . 1 . . . . . . . . 6223 1 235 . 1 1 49 49 GLY CA C 13 45.2 . . 1 . . . . . . . . 6223 1 236 . 1 1 49 49 GLY H H 1 8.26 . . 1 . . . . . . . . 6223 1 237 . 1 1 49 49 GLY HA2 H 1 4.21 . . 1 . . . . . . . . 6223 1 238 . 1 1 49 49 GLY HA3 H 1 3.56 . . 1 . . . . . . . . 6223 1 239 . 1 1 50 50 HIS N N 15 110.4 . . 1 . . . . . . . . 6223 1 240 . 1 1 50 50 HIS C C 13 172.9 . . 1 . . . . . . . . 6223 1 241 . 1 1 50 50 HIS CA C 13 53.7 . . 1 . . . . . . . . 6223 1 242 . 1 1 50 50 HIS CB C 13 32.3 . . 1 . . . . . . . . 6223 1 243 . 1 1 50 50 HIS H H 1 8.70 . . 1 . . . . . . . . 6223 1 244 . 1 1 50 50 HIS HA H 1 5.39 . . 1 . . . . . . . . 6223 1 245 . 1 1 51 51 ASN N N 15 118.3 . . 1 . . . . . . . . 6223 1 246 . 1 1 51 51 ASN C C 13 176.1 . . 1 . . . . . . . . 6223 1 247 . 1 1 51 51 ASN CA C 13 54.1 . . 1 . . . . . . . . 6223 1 248 . 1 1 51 51 ASN CB C 13 39.2 . . 1 . . . . . . . . 6223 1 249 . 1 1 51 51 ASN H H 1 7.70 . . 1 . . . . . . . . 6223 1 250 . 1 1 51 51 ASN HA H 1 4.55 . . 1 . . . . . . . . 6223 1 251 . 1 1 52 52 MET N N 15 122.3 . . 1 . . . . . . . . 6223 1 252 . 1 1 52 52 MET C C 13 177.3 . . 1 . . . . . . . . 6223 1 253 . 1 1 52 52 MET CA C 13 52.4 . . 1 . . . . . . . . 6223 1 254 . 1 1 52 52 MET CB C 13 32.3 . . 1 . . . . . . . . 6223 1 255 . 1 1 52 52 MET H H 1 8.99 . . 1 . . . . . . . . 6223 1 256 . 1 1 52 52 MET HA H 1 5.61 . . 1 . . . . . . . . 6223 1 257 . 1 1 53 53 ARG N N 15 124.5 . . 1 . . . . . . . . 6223 1 258 . 1 1 53 53 ARG C C 13 179.0 . . 1 . . . . . . . . 6223 1 259 . 1 1 53 53 ARG CA C 13 59.6 . . 1 . . . . . . . . 6223 1 260 . 1 1 53 53 ARG CB C 13 30.2 . . 1 . . . . . . . . 6223 1 261 . 1 1 53 53 ARG H H 1 9.05 . . 1 . . . . . . . . 6223 1 262 . 1 1 53 53 ARG HA H 1 4.55 . . 1 . . . . . . . . 6223 1 263 . 1 1 54 54 PHE N N 15 115.3 . . 1 . . . . . . . . 6223 1 264 . 1 1 54 54 PHE C C 13 178.4 . . 1 . . . . . . . . 6223 1 265 . 1 1 54 54 PHE CA C 13 61.9 . . 1 . . . . . . . . 6223 1 266 . 1 1 54 54 PHE CB C 13 38.1 . . 1 . . . . . . . . 6223 1 267 . 1 1 54 54 PHE H H 1 8.61 . . 1 . . . . . . . . 6223 1 268 . 1 1 54 54 PHE HA H 1 3.99 . . 1 . . . . . . . . 6223 1 269 . 1 1 55 55 GLN N N 15 123.7 . . 1 . . . . . . . . 6223 1 270 . 1 1 55 55 GLN C C 13 178.4 . . 1 . . . . . . . . 6223 1 271 . 1 1 55 55 GLN CA C 13 60.0 . . 1 . . . . . . . . 6223 1 272 . 1 1 55 55 GLN CB C 13 28.3 . . 1 . . . . . . . . 6223 1 273 . 1 1 55 55 GLN H H 1 10.68 . . 1 . . . . . . . . 6223 1 274 . 1 1 55 55 GLN HA H 1 4.00 . . 1 . . . . . . . . 6223 1 275 . 1 1 56 56 LYS N N 15 112.5 . . 1 . . . . . . . . 6223 1 276 . 1 1 56 56 LYS C C 13 176.7 . . 1 . . . . . . . . 6223 1 277 . 1 1 56 56 LYS CA C 13 54.4 . . 1 . . . . . . . . 6223 1 278 . 1 1 56 56 LYS CB C 13 33.0 . . 1 . . . . . . . . 6223 1 279 . 1 1 56 56 LYS H H 1 8.21 . . 1 . . . . . . . . 6223 1 280 . 1 1 56 56 LYS HA H 1 4.64 . . 1 . . . . . . . . 6223 1 281 . 1 1 57 57 GLY N N 15 113.5 . . 1 . . . . . . . . 6223 1 282 . 1 1 57 57 GLY C C 13 175.7 . . 1 . . . . . . . . 6223 1 283 . 1 1 57 57 GLY CA C 13 47.2 . . 1 . . . . . . . . 6223 1 284 . 1 1 57 57 GLY H H 1 7.48 . . 1 . . . . . . . . 6223 1 285 . 1 1 57 57 GLY HA2 H 1 4.04 . . 1 . . . . . . . . 6223 1 286 . 1 1 57 57 GLY HA3 H 1 3.85 . . 1 . . . . . . . . 6223 1 287 . 1 1 58 58 SER N N 15 112.8 . . 1 . . . . . . . . 6223 1 288 . 1 1 58 58 SER C C 13 174.7 . . 1 . . . . . . . . 6223 1 289 . 1 1 58 58 SER CA C 13 56.1 . . 1 . . . . . . . . 6223 1 290 . 1 1 58 58 SER CB C 13 64.7 . . 1 . . . . . . . . 6223 1 291 . 1 1 58 58 SER H H 1 7.44 . . 1 . . . . . . . . 6223 1 292 . 1 1 58 58 SER HA H 1 4.71 . . 1 . . . . . . . . 6223 1 293 . 1 1 59 59 ALA N N 15 129.6 . . 1 . . . . . . . . 6223 1 294 . 1 1 59 59 ALA C C 13 178.2 . . 1 . . . . . . . . 6223 1 295 . 1 1 59 59 ALA CA C 13 51.4 . . 1 . . . . . . . . 6223 1 296 . 1 1 59 59 ALA CB C 13 19.6 . . 1 . . . . . . . . 6223 1 297 . 1 1 59 59 ALA H H 1 8.95 . . 1 . . . . . . . . 6223 1 298 . 1 1 59 59 ALA HA H 1 4.40 . . 1 . . . . . . . . 6223 1 299 . 1 1 60 60 THR N N 15 107.7 . . 1 . . . . . . . . 6223 1 300 . 1 1 60 60 THR C C 13 175.5 . . 1 . . . . . . . . 6223 1 301 . 1 1 60 60 THR CA C 13 62.1 . . 1 . . . . . . . . 6223 1 302 . 1 1 60 60 THR CB C 13 70.4 . . 1 . . . . . . . . 6223 1 303 . 1 1 60 60 THR H H 1 8.39 . . 1 . . . . . . . . 6223 1 304 . 1 1 60 60 THR HA H 1 4.54 . . 1 . . . . . . . . 6223 1 305 . 1 1 61 61 LEU N N 15 122.7 . . 1 . . . . . . . . 6223 1 306 . 1 1 61 61 LEU C C 13 179.5 . . 1 . . . . . . . . 6223 1 307 . 1 1 61 61 LEU CA C 13 53.7 . . 1 . . . . . . . . 6223 1 308 . 1 1 61 61 LEU CB C 13 39.6 . . 1 . . . . . . . . 6223 1 309 . 1 1 61 61 LEU H H 1 7.97 . . 1 . . . . . . . . 6223 1 310 . 1 1 61 61 LEU HA H 1 4.32 . . 1 . . . . . . . . 6223 1 311 . 1 1 62 62 HIS N N 15 123.6 . . 1 . . . . . . . . 6223 1 312 . 1 1 62 62 HIS C C 13 176.9 . . 1 . . . . . . . . 6223 1 313 . 1 1 62 62 HIS CA C 13 55.3 . . 1 . . . . . . . . 6223 1 314 . 1 1 62 62 HIS CB C 13 34.4 . . 1 . . . . . . . . 6223 1 315 . 1 1 62 62 HIS H H 1 7.97 . . 1 . . . . . . . . 6223 1 316 . 1 1 62 62 HIS HA H 1 4.96 . . 1 . . . . . . . . 6223 1 317 . 1 1 63 63 GLY N N 15 109.8 . . 1 . . . . . . . . 6223 1 318 . 1 1 63 63 GLY C C 13 177.7 . . 1 . . . . . . . . 6223 1 319 . 1 1 63 63 GLY CA C 13 48.8 . . 1 . . . . . . . . 6223 1 320 . 1 1 63 63 GLY H H 1 9.97 . . 1 . . . . . . . . 6223 1 321 . 1 1 63 63 GLY HA2 H 1 3.80 . . 1 . . . . . . . . 6223 1 322 . 1 1 63 63 GLY HA3 H 1 3.24 . . 1 . . . . . . . . 6223 1 323 . 1 1 64 64 GLU N N 15 124.3 . . 1 . . . . . . . . 6223 1 324 . 1 1 64 64 GLU C C 13 177.6 . . 1 . . . . . . . . 6223 1 325 . 1 1 64 64 GLU CA C 13 61.2 . . 1 . . . . . . . . 6223 1 326 . 1 1 64 64 GLU CB C 13 25.8 . . 1 . . . . . . . . 6223 1 327 . 1 1 64 64 GLU H H 1 11.96 . . 1 . . . . . . . . 6223 1 328 . 1 1 64 64 GLU HA H 1 3.85 . . 1 . . . . . . . . 6223 1 329 . 1 1 65 65 ILE N N 15 117.5 . . 1 . . . . . . . . 6223 1 330 . 1 1 65 65 ILE C C 13 177.7 . . 1 . . . . . . . . 6223 1 331 . 1 1 65 65 ILE CA C 13 61.2 . . 1 . . . . . . . . 6223 1 332 . 1 1 65 65 ILE CB C 13 35.9 . . 1 . . . . . . . . 6223 1 333 . 1 1 65 65 ILE H H 1 6.18 . . 1 . . . . . . . . 6223 1 334 . 1 1 65 65 ILE HA H 1 3.72 . . 1 . . . . . . . . 6223 1 335 . 1 1 66 66 SER N N 15 113.6 . . 1 . . . . . . . . 6223 1 336 . 1 1 66 66 SER C C 13 177.1 . . 1 . . . . . . . . 6223 1 337 . 1 1 66 66 SER CA C 13 59.7 . . 1 . . . . . . . . 6223 1 338 . 1 1 66 66 SER CB C 13 64.2 . . 1 . . . . . . . . 6223 1 339 . 1 1 66 66 SER H H 1 9.07 . . 1 . . . . . . . . 6223 1 340 . 1 1 66 66 SER HA H 1 3.90 . . 1 . . . . . . . . 6223 1 341 . 1 1 67 67 THR N N 15 115.5 . . 1 . . . . . . . . 6223 1 342 . 1 1 67 67 THR C C 13 175.8 . . 1 . . . . . . . . 6223 1 343 . 1 1 67 67 THR CA C 13 68.2 . . 1 . . . . . . . . 6223 1 344 . 1 1 67 67 THR CB C 13 67.0 . . 1 . . . . . . . . 6223 1 345 . 1 1 67 67 THR H H 1 8.09 . . 1 . . . . . . . . 6223 1 346 . 1 1 67 67 THR HA H 1 4.34 . . 1 . . . . . . . . 6223 1 347 . 1 1 68 68 LEU N N 15 119.7 . . 1 . . . . . . . . 6223 1 348 . 1 1 68 68 LEU C C 13 180.1 . . 1 . . . . . . . . 6223 1 349 . 1 1 68 68 LEU CA C 13 58.0 . . 1 . . . . . . . . 6223 1 350 . 1 1 68 68 LEU CB C 13 40.7 . . 1 . . . . . . . . 6223 1 351 . 1 1 68 68 LEU H H 1 7.42 . . 1 . . . . . . . . 6223 1 352 . 1 1 68 68 LEU HA H 1 3.95 . . 1 . . . . . . . . 6223 1 353 . 1 1 69 69 GLU N N 15 123.5 . . 1 . . . . . . . . 6223 1 354 . 1 1 69 69 GLU C C 13 180.9 . . 1 . . . . . . . . 6223 1 355 . 1 1 69 69 GLU CA C 13 57.9 . . 1 . . . . . . . . 6223 1 356 . 1 1 69 69 GLU CB C 13 28.2 . . 1 . . . . . . . . 6223 1 357 . 1 1 69 69 GLU H H 1 9.13 . . 1 . . . . . . . . 6223 1 358 . 1 1 69 69 GLU HA H 1 4.20 . . 1 . . . . . . . . 6223 1 359 . 1 1 70 70 ASN N N 15 119.6 . . 1 . . . . . . . . 6223 1 360 . 1 1 70 70 ASN C C 13 177.3 . . 1 . . . . . . . . 6223 1 361 . 1 1 70 70 ASN CA C 13 54.7 . . 1 . . . . . . . . 6223 1 362 . 1 1 70 70 ASN CB C 13 37.5 . . 1 . . . . . . . . 6223 1 363 . 1 1 70 70 ASN H H 1 8.62 . . 1 . . . . . . . . 6223 1 364 . 1 1 70 70 ASN HA H 1 4.50 . . 1 . . . . . . . . 6223 1 365 . 1 1 71 71 CYS N N 15 117.7 . . 1 . . . . . . . . 6223 1 366 . 1 1 71 71 CYS C C 13 176.3 . . 1 . . . . . . . . 6223 1 367 . 1 1 71 71 CYS CA C 13 60.6 . . 1 . . . . . . . . 6223 1 368 . 1 1 71 71 CYS CB C 13 27.2 . . 1 . . . . . . . . 6223 1 369 . 1 1 71 71 CYS H H 1 7.62 . . 1 . . . . . . . . 6223 1 370 . 1 1 71 71 CYS HA H 1 4.49 . . 1 . . . . . . . . 6223 1 371 . 1 1 72 72 GLY N N 15 104.1 . . 1 . . . . . . . . 6223 1 372 . 1 1 72 72 GLY C C 13 175.9 . . 1 . . . . . . . . 6223 1 373 . 1 1 72 72 GLY CA C 13 43.7 . . 1 . . . . . . . . 6223 1 374 . 1 1 72 72 GLY H H 1 7.04 . . 1 . . . . . . . . 6223 1 375 . 1 1 72 72 GLY HA2 H 1 4.20 . . 1 . . . . . . . . 6223 1 376 . 1 1 72 72 GLY HA3 H 1 4.12 . . 1 . . . . . . . . 6223 1 377 . 1 1 73 73 ARG N N 15 116.1 . . 1 . . . . . . . . 6223 1 378 . 1 1 73 73 ARG C C 13 176.9 . . 1 . . . . . . . . 6223 1 379 . 1 1 73 73 ARG CA C 13 57.4 . . 1 . . . . . . . . 6223 1 380 . 1 1 73 73 ARG CB C 13 30.0 . . 1 . . . . . . . . 6223 1 381 . 1 1 73 73 ARG H H 1 8.13 . . 1 . . . . . . . . 6223 1 382 . 1 1 73 73 ARG HA H 1 3.79 . . 1 . . . . . . . . 6223 1 383 . 1 1 74 74 LEU N N 15 126.3 . . 1 . . . . . . . . 6223 1 384 . 1 1 74 74 LEU C C 13 176.3 . . 1 . . . . . . . . 6223 1 385 . 1 1 74 74 LEU CA C 13 53.0 . . 1 . . . . . . . . 6223 1 386 . 1 1 74 74 LEU CB C 13 44.6 . . 1 . . . . . . . . 6223 1 387 . 1 1 74 74 LEU H H 1 8.44 . . 1 . . . . . . . . 6223 1 388 . 1 1 74 74 LEU HA H 1 4.57 . . 1 . . . . . . . . 6223 1 389 . 1 1 75 75 GLU N N 15 120.4 . . 1 . . . . . . . . 6223 1 390 . 1 1 75 75 GLU C C 13 177.7 . . 1 . . . . . . . . 6223 1 391 . 1 1 75 75 GLU CA C 13 57.0 . . 1 . . . . . . . . 6223 1 392 . 1 1 75 75 GLU CB C 13 29.8 . . 1 . . . . . . . . 6223 1 393 . 1 1 75 75 GLU H H 1 8.20 . . 1 . . . . . . . . 6223 1 394 . 1 1 75 75 GLU HA H 1 4.24 . . 1 . . . . . . . . 6223 1 395 . 1 1 76 76 GLY N N 15 112.5 . . 1 . . . . . . . . 6223 1 396 . 1 1 76 76 GLY C C 13 178.1 . . 1 . . . . . . . . 6223 1 397 . 1 1 76 76 GLY CA C 13 47.7 . . 1 . . . . . . . . 6223 1 398 . 1 1 76 76 GLY H H 1 9.26 . . 1 . . . . . . . . 6223 1 399 . 1 1 76 76 GLY HA2 H 1 4.09 . . 1 . . . . . . . . 6223 1 400 . 1 1 76 76 GLY HA3 H 1 3.84 . . 1 . . . . . . . . 6223 1 401 . 1 1 77 77 LYS N N 15 118.5 . . 1 . . . . . . . . 6223 1 402 . 1 1 77 77 LYS C C 13 179.3 . . 1 . . . . . . . . 6223 1 403 . 1 1 77 77 LYS CA C 13 58.0 . . 1 . . . . . . . . 6223 1 404 . 1 1 77 77 LYS CB C 13 31.0 . . 1 . . . . . . . . 6223 1 405 . 1 1 77 77 LYS H H 1 8.56 . . 1 . . . . . . . . 6223 1 406 . 1 1 77 77 LYS HA H 1 4.20 . . 1 . . . . . . . . 6223 1 407 . 1 1 78 78 VAL N N 15 121.8 . . 1 . . . . . . . . 6223 1 408 . 1 1 78 78 VAL C C 13 178.6 . . 1 . . . . . . . . 6223 1 409 . 1 1 78 78 VAL CA C 13 65.5 . . 1 . . . . . . . . 6223 1 410 . 1 1 78 78 VAL CB C 13 30.7 . . 1 . . . . . . . . 6223 1 411 . 1 1 78 78 VAL H H 1 8.08 . . 1 . . . . . . . . 6223 1 412 . 1 1 78 78 VAL HA H 1 3.46 . . 1 . . . . . . . . 6223 1 413 . 1 1 79 79 TYR N N 15 112.5 . . 1 . . . . . . . . 6223 1 414 . 1 1 79 79 TYR C C 13 178.0 . . 1 . . . . . . . . 6223 1 415 . 1 1 79 79 TYR CA C 13 60.4 . . 1 . . . . . . . . 6223 1 416 . 1 1 79 79 TYR CB C 13 39.6 . . 1 . . . . . . . . 6223 1 417 . 1 1 79 79 TYR H H 1 6.78 . . 1 . . . . . . . . 6223 1 418 . 1 1 79 79 TYR HA H 1 3.84 . . 1 . . . . . . . . 6223 1 419 . 1 1 80 80 LYS N N 15 110.5 . . 1 . . . . . . . . 6223 1 420 . 1 1 80 80 LYS C C 13 175.9 . . 1 . . . . . . . . 6223 1 421 . 1 1 80 80 LYS CA C 13 55.7 . . 1 . . . . . . . . 6223 1 422 . 1 1 80 80 LYS CB C 13 30.2 . . 1 . . . . . . . . 6223 1 423 . 1 1 80 80 LYS H H 1 7.21 . . 1 . . . . . . . . 6223 1 424 . 1 1 80 80 LYS HA H 1 4.39 . . 1 . . . . . . . . 6223 1 425 . 1 1 81 81 ASP N N 15 117.8 . . 1 . . . . . . . . 6223 1 426 . 1 1 81 81 ASP C C 13 174.6 . . 1 . . . . . . . . 6223 1 427 . 1 1 81 81 ASP CA C 13 53.2 . . 1 . . . . . . . . 6223 1 428 . 1 1 81 81 ASP CB C 13 40.6 . . 1 . . . . . . . . 6223 1 429 . 1 1 81 81 ASP H H 1 7.24 . . 1 . . . . . . . . 6223 1 430 . 1 1 81 81 ASP HA H 1 5.39 . . 1 . . . . . . . . 6223 1 431 . 1 1 82 82 THR N N 15 109.2 . . 1 . . . . . . . . 6223 1 432 . 1 1 82 82 THR C C 13 174.6 . . 1 . . . . . . . . 6223 1 433 . 1 1 82 82 THR CA C 13 60.2 . . 1 . . . . . . . . 6223 1 434 . 1 1 82 82 THR CB C 13 73.3 . . 1 . . . . . . . . 6223 1 435 . 1 1 82 82 THR H H 1 6.69 . . 1 . . . . . . . . 6223 1 436 . 1 1 82 82 THR HA H 1 5.37 . . 1 . . . . . . . . 6223 1 437 . 1 1 83 83 THR N N 15 112.2 . . 1 . . . . . . . . 6223 1 438 . 1 1 83 83 THR C C 13 173.3 . . 1 . . . . . . . . 6223 1 439 . 1 1 83 83 THR CA C 13 61.8 . . 1 . . . . . . . . 6223 1 440 . 1 1 83 83 THR CB C 13 72.7 . . 1 . . . . . . . . 6223 1 441 . 1 1 83 83 THR H H 1 8.53 . . 1 . . . . . . . . 6223 1 442 . 1 1 83 83 THR HA H 1 4.88 . . 1 . . . . . . . . 6223 1 443 . 1 1 84 84 LEU N N 15 126.6 . . 1 . . . . . . . . 6223 1 444 . 1 1 84 84 LEU C C 13 173.7 . . 1 . . . . . . . . 6223 1 445 . 1 1 84 84 LEU CA C 13 53.7 . . 1 . . . . . . . . 6223 1 446 . 1 1 84 84 LEU CB C 13 42.7 . . 1 . . . . . . . . 6223 1 447 . 1 1 84 84 LEU H H 1 8.04 . . 1 . . . . . . . . 6223 1 448 . 1 1 84 84 LEU HA H 1 5.18 . . 1 . . . . . . . . 6223 1 449 . 1 1 85 85 TYR N N 15 127.7 . . 1 . . . . . . . . 6223 1 450 . 1 1 85 85 TYR C C 13 174.8 . . 1 . . . . . . . . 6223 1 451 . 1 1 85 85 TYR CA C 13 56.6 . . 1 . . . . . . . . 6223 1 452 . 1 1 85 85 TYR CB C 13 39.3 . . 1 . . . . . . . . 6223 1 453 . 1 1 85 85 TYR H H 1 9.48 . . 1 . . . . . . . . 6223 1 454 . 1 1 85 85 TYR HA H 1 5.21 . . 1 . . . . . . . . 6223 1 455 . 1 1 86 86 THR N N 15 116.1 . . 1 . . . . . . . . 6223 1 456 . 1 1 86 86 THR C C 13 174.5 . . 1 . . . . . . . . 6223 1 457 . 1 1 86 86 THR CA C 13 56.8 . . 1 . . . . . . . . 6223 1 458 . 1 1 86 86 THR CB C 13 69.8 . . 1 . . . . . . . . 6223 1 459 . 1 1 86 86 THR H H 1 9.09 . . 1 . . . . . . . . 6223 1 460 . 1 1 86 86 THR HA H 1 5.80 . . 1 . . . . . . . . 6223 1 461 . 1 1 87 87 THR N N 15 119.5 . . 1 . . . . . . . . 6223 1 462 . 1 1 87 87 THR C C 13 173.6 . . 1 . . . . . . . . 6223 1 463 . 1 1 87 87 THR CA C 13 65.4 . . 1 . . . . . . . . 6223 1 464 . 1 1 87 87 THR CB C 13 67.7 . . 1 . . . . . . . . 6223 1 465 . 1 1 87 87 THR H H 1 8.99 . . 1 . . . . . . . . 6223 1 466 . 1 1 87 87 THR HA H 1 4.13 . . 1 . . . . . . . . 6223 1 467 . 1 1 88 88 LEU N N 15 122.4 . . 1 . . . . . . . . 6223 1 468 . 1 1 88 88 LEU C C 13 173.7 . . 1 . . . . . . . . 6223 1 469 . 1 1 88 88 LEU CA C 13 52.7 . . 1 . . . . . . . . 6223 1 470 . 1 1 88 88 LEU CB C 13 46.5 . . 1 . . . . . . . . 6223 1 471 . 1 1 88 88 LEU H H 1 7.40 . . 1 . . . . . . . . 6223 1 472 . 1 1 88 88 LEU HA H 1 5.24 . . 1 . . . . . . . . 6223 1 473 . 1 1 89 89 SER N N 15 118.4 . . 1 . . . . . . . . 6223 1 474 . 1 1 89 89 SER CA C 13 56.7 . . 1 . . . . . . . . 6223 1 475 . 1 1 89 89 SER CB C 13 64.7 . . 1 . . . . . . . . 6223 1 476 . 1 1 89 89 SER H H 1 7.03 . . 1 . . . . . . . . 6223 1 477 . 1 1 89 89 SER HA H 1 4.15 . . 1 . . . . . . . . 6223 1 478 . 1 1 90 90 PRO C C 13 180.1 . . 1 . . . . . . . . 6223 1 479 . 1 1 90 90 PRO CA C 13 62.3 . . 1 . . . . . . . . 6223 1 480 . 1 1 90 90 PRO CB C 13 31.9 . . 1 . . . . . . . . 6223 1 481 . 1 1 91 91 CYS N N 15 119.7 . . 1 . . . . . . . . 6223 1 482 . 1 1 91 91 CYS C C 13 176.3 . . 1 . . . . . . . . 6223 1 483 . 1 1 91 91 CYS CA C 13 58.4 . . 1 . . . . . . . . 6223 1 484 . 1 1 91 91 CYS CB C 13 28.1 . . 1 . . . . . . . . 6223 1 485 . 1 1 91 91 CYS H H 1 8.14 . . 1 . . . . . . . . 6223 1 486 . 1 1 91 91 CYS HA H 1 4.70 . . 1 . . . . . . . . 6223 1 487 . 1 1 92 92 ASP N N 15 118.2 . . 1 . . . . . . . . 6223 1 488 . 1 1 92 92 ASP C C 13 177.9 . . 1 . . . . . . . . 6223 1 489 . 1 1 92 92 ASP CA C 13 59.4 . . 1 . . . . . . . . 6223 1 490 . 1 1 92 92 ASP CB C 13 42.7 . . 1 . . . . . . . . 6223 1 491 . 1 1 92 92 ASP H H 1 9.22 . . 1 . . . . . . . . 6223 1 492 . 1 1 92 92 ASP HA H 1 4.21 . . 1 . . . . . . . . 6223 1 493 . 1 1 93 93 MET N N 15 124.5 . . 1 . . . . . . . . 6223 1 494 . 1 1 93 93 MET C C 13 175.4 . . 1 . . . . . . . . 6223 1 495 . 1 1 93 93 MET CA C 13 59.9 . . 1 . . . . . . . . 6223 1 496 . 1 1 93 93 MET CB C 13 33.9 . . 1 . . . . . . . . 6223 1 497 . 1 1 93 93 MET H H 1 8.60 . . 1 . . . . . . . . 6223 1 498 . 1 1 93 93 MET HA H 1 3.86 . . 1 . . . . . . . . 6223 1 499 . 1 1 94 94 CYS N N 15 126.8 . . 1 . . . . . . . . 6223 1 500 . 1 1 94 94 CYS C C 13 178.3 . . 1 . . . . . . . . 6223 1 501 . 1 1 94 94 CYS CA C 13 64.4 . . 1 . . . . . . . . 6223 1 502 . 1 1 94 94 CYS CB C 13 31.2 . . 1 . . . . . . . . 6223 1 503 . 1 1 94 94 CYS H H 1 8.10 . . 1 . . . . . . . . 6223 1 504 . 1 1 94 94 CYS HA H 1 3.76 . . 1 . . . . . . . . 6223 1 505 . 1 1 95 95 THR N N 15 116.2 . . 1 . . . . . . . . 6223 1 506 . 1 1 95 95 THR C C 13 175.3 . . 1 . . . . . . . . 6223 1 507 . 1 1 95 95 THR CA C 13 67.9 . . 1 . . . . . . . . 6223 1 508 . 1 1 95 95 THR CB C 13 67.9 . . 1 . . . . . . . . 6223 1 509 . 1 1 95 95 THR H H 1 8.57 . . 1 . . . . . . . . 6223 1 510 . 1 1 95 95 THR HA H 1 4.15 . . 1 . . . . . . . . 6223 1 511 . 1 1 96 96 GLY N N 15 107.2 . . 1 . . . . . . . . 6223 1 512 . 1 1 96 96 GLY C C 13 174.9 . . 1 . . . . . . . . 6223 1 513 . 1 1 96 96 GLY CA C 13 47.5 . . 1 . . . . . . . . 6223 1 514 . 1 1 96 96 GLY H H 1 7.21 . . 1 . . . . . . . . 6223 1 515 . 1 1 96 96 GLY HA2 H 1 3.98 . . 1 . . . . . . . . 6223 1 516 . 1 1 96 96 GLY HA3 H 1 3.43 . . 1 . . . . . . . . 6223 1 517 . 1 1 97 97 ALA N N 15 124.6 . . 1 . . . . . . . . 6223 1 518 . 1 1 97 97 ALA C C 13 177.6 . . 1 . . . . . . . . 6223 1 519 . 1 1 97 97 ALA CA C 13 55.5 . . 1 . . . . . . . . 6223 1 520 . 1 1 97 97 ALA CB C 13 18.0 . . 1 . . . . . . . . 6223 1 521 . 1 1 97 97 ALA H H 1 7.70 . . 1 . . . . . . . . 6223 1 522 . 1 1 97 97 ALA HA H 1 3.91 . . 1 . . . . . . . . 6223 1 523 . 1 1 98 98 ILE N N 15 117.7 . . 1 . . . . . . . . 6223 1 524 . 1 1 98 98 ILE C C 13 177.6 . . 1 . . . . . . . . 6223 1 525 . 1 1 98 98 ILE CA C 13 65.2 . . 1 . . . . . . . . 6223 1 526 . 1 1 98 98 ILE CB C 13 38.1 . . 1 . . . . . . . . 6223 1 527 . 1 1 98 98 ILE H H 1 7.42 . . 1 . . . . . . . . 6223 1 528 . 1 1 98 98 ILE HA H 1 3.43 . . 1 . . . . . . . . 6223 1 529 . 1 1 99 99 ILE N N 15 117.2 . . 1 . . . . . . . . 6223 1 530 . 1 1 99 99 ILE C C 13 179.9 . . 1 . . . . . . . . 6223 1 531 . 1 1 99 99 ILE CA C 13 63.7 . . 1 . . . . . . . . 6223 1 532 . 1 1 99 99 ILE CB C 13 38.0 . . 1 . . . . . . . . 6223 1 533 . 1 1 99 99 ILE H H 1 7.62 . . 1 . . . . . . . . 6223 1 534 . 1 1 99 99 ILE HA H 1 3.64 . . 1 . . . . . . . . 6223 1 535 . 1 1 100 100 MET N N 15 123.5 . . 1 . . . . . . . . 6223 1 536 . 1 1 100 100 MET C C 13 178.3 . . 1 . . . . . . . . 6223 1 537 . 1 1 100 100 MET CA C 13 60.4 . . 1 . . . . . . . . 6223 1 538 . 1 1 100 100 MET CB C 13 31.7 . . 1 . . . . . . . . 6223 1 539 . 1 1 100 100 MET H H 1 8.90 . . 1 . . . . . . . . 6223 1 540 . 1 1 100 100 MET HA H 1 3.90 . . 1 . . . . . . . . 6223 1 541 . 1 1 101 101 TYR N N 15 112.8 . . 1 . . . . . . . . 6223 1 542 . 1 1 101 101 TYR C C 13 176.8 . . 1 . . . . . . . . 6223 1 543 . 1 1 101 101 TYR CA C 13 60.7 . . 1 . . . . . . . . 6223 1 544 . 1 1 101 101 TYR CB C 13 37.6 . . 1 . . . . . . . . 6223 1 545 . 1 1 101 101 TYR H H 1 7.57 . . 1 . . . . . . . . 6223 1 546 . 1 1 101 101 TYR HA H 1 4.23 . . 1 . . . . . . . . 6223 1 547 . 1 1 102 102 GLY N N 15 111.3 . . 1 . . . . . . . . 6223 1 548 . 1 1 102 102 GLY C C 13 174.5 . . 1 . . . . . . . . 6223 1 549 . 1 1 102 102 GLY CA C 13 46.7 . . 1 . . . . . . . . 6223 1 550 . 1 1 102 102 GLY H H 1 8.00 . . 1 . . . . . . . . 6223 1 551 . 1 1 102 102 GLY HA2 H 1 4.20 . . 1 . . . . . . . . 6223 1 552 . 1 1 102 102 GLY HA3 H 1 3.78 . . 1 . . . . . . . . 6223 1 553 . 1 1 103 103 ILE N N 15 124.9 . . 1 . . . . . . . . 6223 1 554 . 1 1 103 103 ILE H H 1 7.67 . . 1 . . . . . . . . 6223 1 555 . 1 1 103 103 ILE HA H 1 4.39 . . 1 . . . . . . . . 6223 1 556 . 1 1 104 104 PRO C C 13 176.1 . . 1 . . . . . . . . 6223 1 557 . 1 1 104 104 PRO CA C 13 65.0 . . 1 . . . . . . . . 6223 1 558 . 1 1 104 104 PRO CB C 13 33.1 . . 1 . . . . . . . . 6223 1 559 . 1 1 105 105 ARG N N 15 118.9 . . 1 . . . . . . . . 6223 1 560 . 1 1 105 105 ARG C C 13 172.7 . . 1 . . . . . . . . 6223 1 561 . 1 1 105 105 ARG CA C 13 54.4 . . 1 . . . . . . . . 6223 1 562 . 1 1 105 105 ARG CB C 13 33.0 . . 1 . . . . . . . . 6223 1 563 . 1 1 105 105 ARG H H 1 7.07 . . 1 . . . . . . . . 6223 1 564 . 1 1 105 105 ARG HA H 1 5.35 . . 1 . . . . . . . . 6223 1 565 . 1 1 106 106 CYS N N 15 125.8 . . 1 . . . . . . . . 6223 1 566 . 1 1 106 106 CYS C C 13 172.5 . . 1 . . . . . . . . 6223 1 567 . 1 1 106 106 CYS CA C 13 56.0 . . 1 . . . . . . . . 6223 1 568 . 1 1 106 106 CYS CB C 13 28.6 . . 1 . . . . . . . . 6223 1 569 . 1 1 106 106 CYS H H 1 9.09 . . 1 . . . . . . . . 6223 1 570 . 1 1 106 106 CYS HA H 1 5.43 . . 1 . . . . . . . . 6223 1 571 . 1 1 107 107 VAL N N 15 130.7 . . 1 . . . . . . . . 6223 1 572 . 1 1 107 107 VAL C C 13 173.6 . . 1 . . . . . . . . 6223 1 573 . 1 1 107 107 VAL CA C 13 56.0 . . 1 . . . . . . . . 6223 1 574 . 1 1 107 107 VAL CB C 13 31.5 . . 1 . . . . . . . . 6223 1 575 . 1 1 107 107 VAL H H 1 8.69 . . 1 . . . . . . . . 6223 1 576 . 1 1 107 107 VAL HA H 1 4.73 . . 1 . . . . . . . . 6223 1 577 . 1 1 108 108 VAL N N 15 127.5 . . 1 . . . . . . . . 6223 1 578 . 1 1 108 108 VAL C C 13 177.5 . . 1 . . . . . . . . 6223 1 579 . 1 1 108 108 VAL CA C 13 60.1 . . 1 . . . . . . . . 6223 1 580 . 1 1 108 108 VAL CB C 13 34.6 . . 1 . . . . . . . . 6223 1 581 . 1 1 108 108 VAL H H 1 9.41 . . 1 . . . . . . . . 6223 1 582 . 1 1 108 108 VAL HA H 1 4.80 . . 1 . . . . . . . . 6223 1 583 . 1 1 109 109 GLY N N 15 115.4 . . 1 . . . . . . . . 6223 1 584 . 1 1 109 109 GLY C C 13 173.3 . . 1 . . . . . . . . 6223 1 585 . 1 1 109 109 GLY CA C 13 48.8 . . 1 . . . . . . . . 6223 1 586 . 1 1 109 109 GLY H H 1 9.95 . . 1 . . . . . . . . 6223 1 587 . 1 1 109 109 GLY HA2 H 1 4.36 . . 1 . . . . . . . . 6223 1 588 . 1 1 109 109 GLY HA3 H 1 3.89 . . 1 . . . . . . . . 6223 1 589 . 1 1 110 110 GLU N N 15 114.4 . . 1 . . . . . . . . 6223 1 590 . 1 1 110 110 GLU C C 13 173.2 . . 1 . . . . . . . . 6223 1 591 . 1 1 110 110 GLU CA C 13 55.0 . . 1 . . . . . . . . 6223 1 592 . 1 1 110 110 GLU CB C 13 29.2 . . 1 . . . . . . . . 6223 1 593 . 1 1 110 110 GLU H H 1 7.38 . . 1 . . . . . . . . 6223 1 594 . 1 1 110 110 GLU HA H 1 4.85 . . 1 . . . . . . . . 6223 1 595 . 1 1 111 111 ASN N N 15 119.1 . . 1 . . . . . . . . 6223 1 596 . 1 1 111 111 ASN C C 13 175.3 . . 1 . . . . . . . . 6223 1 597 . 1 1 111 111 ASN CA C 13 50.4 . . 1 . . . . . . . . 6223 1 598 . 1 1 111 111 ASN CB C 13 39.2 . . 1 . . . . . . . . 6223 1 599 . 1 1 111 111 ASN H H 1 8.43 . . 1 . . . . . . . . 6223 1 600 . 1 1 111 111 ASN HA H 1 5.28 . . 1 . . . . . . . . 6223 1 601 . 1 1 112 112 VAL N N 15 121.4 . . 1 . . . . . . . . 6223 1 602 . 1 1 112 112 VAL C C 13 179.4 . . 1 . . . . . . . . 6223 1 603 . 1 1 112 112 VAL CA C 13 64.2 . . 1 . . . . . . . . 6223 1 604 . 1 1 112 112 VAL CB C 13 32.6 . . 1 . . . . . . . . 6223 1 605 . 1 1 112 112 VAL H H 1 9.32 . . 1 . . . . . . . . 6223 1 606 . 1 1 112 112 VAL HA H 1 3.87 . . 1 . . . . . . . . 6223 1 607 . 1 1 113 113 ASN N N 15 120.4 . . 1 . . . . . . . . 6223 1 608 . 1 1 113 113 ASN C C 13 174.9 . . 1 . . . . . . . . 6223 1 609 . 1 1 113 113 ASN CA C 13 56.2 . . 1 . . . . . . . . 6223 1 610 . 1 1 113 113 ASN CB C 13 37.9 . . 1 . . . . . . . . 6223 1 611 . 1 1 113 113 ASN H H 1 10.89 . . 1 . . . . . . . . 6223 1 612 . 1 1 113 113 ASN HA H 1 4.43 . . 1 . . . . . . . . 6223 1 613 . 1 1 114 114 PHE N N 15 115.8 . . 1 . . . . . . . . 6223 1 614 . 1 1 114 114 PHE C C 13 171.1 . . 1 . . . . . . . . 6223 1 615 . 1 1 114 114 PHE CA C 13 58.1 . . 1 . . . . . . . . 6223 1 616 . 1 1 114 114 PHE CB C 13 42.5 . . 1 . . . . . . . . 6223 1 617 . 1 1 114 114 PHE H H 1 6.87 . . 1 . . . . . . . . 6223 1 618 . 1 1 114 114 PHE HA H 1 4.57 . . 1 . . . . . . . . 6223 1 619 . 1 1 115 115 LYS N N 15 121.8 . . 1 . . . . . . . . 6223 1 620 . 1 1 115 115 LYS C C 13 173.9 . . 1 . . . . . . . . 6223 1 621 . 1 1 115 115 LYS CA C 13 55.2 . . 1 . . . . . . . . 6223 1 622 . 1 1 115 115 LYS CB C 13 33.8 . . 1 . . . . . . . . 6223 1 623 . 1 1 115 115 LYS H H 1 6.73 . . 1 . . . . . . . . 6223 1 624 . 1 1 115 115 LYS HA H 1 3.90 . . 1 . . . . . . . . 6223 1 625 . 1 1 116 116 SER N N 15 122.7 . . 1 . . . . . . . . 6223 1 626 . 1 1 116 116 SER C C 13 176.3 . . 1 . . . . . . . . 6223 1 627 . 1 1 116 116 SER CA C 13 56.0 . . 1 . . . . . . . . 6223 1 628 . 1 1 116 116 SER CB C 13 67.2 . . 1 . . . . . . . . 6223 1 629 . 1 1 116 116 SER H H 1 9.39 . . 1 . . . . . . . . 6223 1 630 . 1 1 116 116 SER HA H 1 4.60 . . 1 . . . . . . . . 6223 1 631 . 1 1 117 117 LYS N N 15 123.2 . . 1 . . . . . . . . 6223 1 632 . 1 1 117 117 LYS C C 13 178.0 . . 1 . . . . . . . . 6223 1 633 . 1 1 117 117 LYS CA C 13 58.5 . . 1 . . . . . . . . 6223 1 634 . 1 1 117 117 LYS CB C 13 31.5 . . 1 . . . . . . . . 6223 1 635 . 1 1 117 117 LYS H H 1 9.46 . . 1 . . . . . . . . 6223 1 636 . 1 1 117 117 LYS HA H 1 4.13 . . 1 . . . . . . . . 6223 1 637 . 1 1 118 118 GLY N N 15 109.6 . . 1 . . . . . . . . 6223 1 638 . 1 1 118 118 GLY C C 13 175.0 . . 1 . . . . . . . . 6223 1 639 . 1 1 118 118 GLY CA C 13 46.9 . . 1 . . . . . . . . 6223 1 640 . 1 1 118 118 GLY H H 1 9.02 . . 1 . . . . . . . . 6223 1 641 . 1 1 118 118 GLY HA2 H 1 4.24 . . 1 . . . . . . . . 6223 1 642 . 1 1 118 118 GLY HA3 H 1 4.06 . . 1 . . . . . . . . 6223 1 643 . 1 1 119 119 GLU N N 15 119.9 . . 1 . . . . . . . . 6223 1 644 . 1 1 119 119 GLU C C 13 178.6 . . 1 . . . . . . . . 6223 1 645 . 1 1 119 119 GLU CA C 13 61.5 . . 1 . . . . . . . . 6223 1 646 . 1 1 119 119 GLU CB C 13 29.4 . . 1 . . . . . . . . 6223 1 647 . 1 1 119 119 GLU H H 1 7.05 . . 1 . . . . . . . . 6223 1 648 . 1 1 119 119 GLU HA H 1 3.69 . . 1 . . . . . . . . 6223 1 649 . 1 1 120 120 LYS N N 15 115.8 . . 1 . . . . . . . . 6223 1 650 . 1 1 120 120 LYS C C 13 179.1 . . 1 . . . . . . . . 6223 1 651 . 1 1 120 120 LYS CA C 13 57.5 . . 1 . . . . . . . . 6223 1 652 . 1 1 120 120 LYS CB C 13 32.0 . . 1 . . . . . . . . 6223 1 653 . 1 1 120 120 LYS H H 1 7.74 . . 1 . . . . . . . . 6223 1 654 . 1 1 120 120 LYS HA H 1 4.34 . . 1 . . . . . . . . 6223 1 655 . 1 1 121 121 TYR N N 15 123.4 . . 1 . . . . . . . . 6223 1 656 . 1 1 121 121 TYR C C 13 178.2 . . 1 . . . . . . . . 6223 1 657 . 1 1 121 121 TYR CA C 13 60.5 . . 1 . . . . . . . . 6223 1 658 . 1 1 121 121 TYR CB C 13 38.4 . . 1 . . . . . . . . 6223 1 659 . 1 1 121 121 TYR H H 1 8.10 . . 1 . . . . . . . . 6223 1 660 . 1 1 121 121 TYR HA H 1 4.54 . . 1 . . . . . . . . 6223 1 661 . 1 1 122 122 LEU N N 15 117.8 . . 1 . . . . . . . . 6223 1 662 . 1 1 122 122 LEU C C 13 178.8 . . 1 . . . . . . . . 6223 1 663 . 1 1 122 122 LEU CA C 13 58.5 . . 1 . . . . . . . . 6223 1 664 . 1 1 122 122 LEU CB C 13 41.8 . . 1 . . . . . . . . 6223 1 665 . 1 1 122 122 LEU H H 1 8.84 . . 1 . . . . . . . . 6223 1 666 . 1 1 122 122 LEU HA H 1 3.43 . . 1 . . . . . . . . 6223 1 667 . 1 1 123 123 GLN N N 15 117.2 . . 1 . . . . . . . . 6223 1 668 . 1 1 123 123 GLN C C 13 181.0 . . 1 . . . . . . . . 6223 1 669 . 1 1 123 123 GLN CA C 13 58.6 . . 1 . . . . . . . . 6223 1 670 . 1 1 123 123 GLN CB C 13 28.2 . . 1 . . . . . . . . 6223 1 671 . 1 1 123 123 GLN H H 1 6.95 . . 1 . . . . . . . . 6223 1 672 . 1 1 123 123 GLN HA H 1 4.51 . . 1 . . . . . . . . 6223 1 673 . 1 1 124 124 THR N N 15 119.5 . . 1 . . . . . . . . 6223 1 674 . 1 1 124 124 THR C C 13 176.3 . . 1 . . . . . . . . 6223 1 675 . 1 1 124 124 THR CA C 13 65.8 . . 1 . . . . . . . . 6223 1 676 . 1 1 124 124 THR CB C 13 68.5 . . 1 . . . . . . . . 6223 1 677 . 1 1 124 124 THR H H 1 8.72 . . 1 . . . . . . . . 6223 1 678 . 1 1 124 124 THR HA H 1 4.07 . . 1 . . . . . . . . 6223 1 679 . 1 1 125 125 ARG N N 15 118.3 . . 1 . . . . . . . . 6223 1 680 . 1 1 125 125 ARG C C 13 175.8 . . 1 . . . . . . . . 6223 1 681 . 1 1 125 125 ARG CA C 13 53.9 . . 1 . . . . . . . . 6223 1 682 . 1 1 125 125 ARG CB C 13 27.1 . . 1 . . . . . . . . 6223 1 683 . 1 1 125 125 ARG H H 1 7.77 . . 1 . . . . . . . . 6223 1 684 . 1 1 125 125 ARG HA H 1 4.32 . . 1 . . . . . . . . 6223 1 685 . 1 1 126 126 GLY N N 15 107.3 . . 1 . . . . . . . . 6223 1 686 . 1 1 126 126 GLY C C 13 174.1 . . 1 . . . . . . . . 6223 1 687 . 1 1 126 126 GLY CA C 13 45.4 . . 1 . . . . . . . . 6223 1 688 . 1 1 126 126 GLY H H 1 7.78 . . 1 . . . . . . . . 6223 1 689 . 1 1 126 126 GLY HA2 H 1 4.18 . . 1 . . . . . . . . 6223 1 690 . 1 1 126 126 GLY HA3 H 1 3.74 . . 1 . . . . . . . . 6223 1 691 . 1 1 127 127 HIS N N 15 121.2 . . 1 . . . . . . . . 6223 1 692 . 1 1 127 127 HIS C C 13 174.0 . . 1 . . . . . . . . 6223 1 693 . 1 1 127 127 HIS CA C 13 55.1 . . 1 . . . . . . . . 6223 1 694 . 1 1 127 127 HIS CB C 13 29.6 . . 1 . . . . . . . . 6223 1 695 . 1 1 127 127 HIS H H 1 8.43 . . 1 . . . . . . . . 6223 1 696 . 1 1 127 127 HIS HA H 1 4.37 . . 1 . . . . . . . . 6223 1 697 . 1 1 128 128 GLU N N 15 123.8 . . 1 . . . . . . . . 6223 1 698 . 1 1 128 128 GLU C C 13 174.6 . . 1 . . . . . . . . 6223 1 699 . 1 1 128 128 GLU CA C 13 55.1 . . 1 . . . . . . . . 6223 1 700 . 1 1 128 128 GLU CB C 13 30.6 . . 1 . . . . . . . . 6223 1 701 . 1 1 128 128 GLU H H 1 8.50 . . 1 . . . . . . . . 6223 1 702 . 1 1 128 128 GLU HA H 1 4.54 . . 1 . . . . . . . . 6223 1 703 . 1 1 129 129 VAL N N 15 127.3 . . 1 . . . . . . . . 6223 1 704 . 1 1 129 129 VAL C C 13 175.5 . . 1 . . . . . . . . 6223 1 705 . 1 1 129 129 VAL CA C 13 60.4 . . 1 . . . . . . . . 6223 1 706 . 1 1 129 129 VAL CB C 13 33.4 . . 1 . . . . . . . . 6223 1 707 . 1 1 129 129 VAL H H 1 8.57 . . 1 . . . . . . . . 6223 1 708 . 1 1 129 129 VAL HA H 1 5.07 . . 1 . . . . . . . . 6223 1 709 . 1 1 130 130 VAL N N 15 130.4 . . 1 . . . . . . . . 6223 1 710 . 1 1 130 130 VAL C C 13 173.9 . . 1 . . . . . . . . 6223 1 711 . 1 1 130 130 VAL CA C 13 60.6 . . 1 . . . . . . . . 6223 1 712 . 1 1 130 130 VAL CB C 13 34.2 . . 1 . . . . . . . . 6223 1 713 . 1 1 130 130 VAL H H 1 8.71 . . 1 . . . . . . . . 6223 1 714 . 1 1 130 130 VAL HA H 1 4.29 . . 1 . . . . . . . . 6223 1 715 . 1 1 131 131 VAL N N 15 128.1 . . 1 . . . . . . . . 6223 1 716 . 1 1 131 131 VAL C C 13 177.7 . . 1 . . . . . . . . 6223 1 717 . 1 1 131 131 VAL CA C 13 60.8 . . 1 . . . . . . . . 6223 1 718 . 1 1 131 131 VAL CB C 13 31.4 . . 1 . . . . . . . . 6223 1 719 . 1 1 131 131 VAL H H 1 8.94 . . 1 . . . . . . . . 6223 1 720 . 1 1 131 131 VAL HA H 1 4.76 . . 1 . . . . . . . . 6223 1 721 . 1 1 132 132 VAL N N 15 123.5 . . 1 . . . . . . . . 6223 1 722 . 1 1 132 132 VAL C C 13 176.4 . . 1 . . . . . . . . 6223 1 723 . 1 1 132 132 VAL CA C 13 62.9 . . 1 . . . . . . . . 6223 1 724 . 1 1 132 132 VAL CB C 13 31.6 . . 1 . . . . . . . . 6223 1 725 . 1 1 132 132 VAL H H 1 8.94 . . 1 . . . . . . . . 6223 1 726 . 1 1 132 132 VAL HA H 1 4.14 . . 1 . . . . . . . . 6223 1 727 . 1 1 133 133 ASP N N 15 122.9 . . 1 . . . . . . . . 6223 1 728 . 1 1 133 133 ASP C C 13 174.4 . . 1 . . . . . . . . 6223 1 729 . 1 1 133 133 ASP CA C 13 55.1 . . 1 . . . . . . . . 6223 1 730 . 1 1 133 133 ASP CB C 13 38.9 . . 1 . . . . . . . . 6223 1 731 . 1 1 133 133 ASP H H 1 7.51 . . 1 . . . . . . . . 6223 1 732 . 1 1 133 133 ASP HA H 1 4.52 . . 1 . . . . . . . . 6223 1 733 . 1 1 134 134 ASP N N 15 120.1 . . 1 . . . . . . . . 6223 1 734 . 1 1 134 134 ASP C C 13 177.4 . . 1 . . . . . . . . 6223 1 735 . 1 1 134 134 ASP CA C 13 54.1 . . 1 . . . . . . . . 6223 1 736 . 1 1 134 134 ASP CB C 13 43.0 . . 1 . . . . . . . . 6223 1 737 . 1 1 134 134 ASP H H 1 9.03 . . 1 . . . . . . . . 6223 1 738 . 1 1 134 134 ASP HA H 1 4.51 . . 1 . . . . . . . . 6223 1 739 . 1 1 135 135 GLU N N 15 128.8 . . 1 . . . . . . . . 6223 1 740 . 1 1 135 135 GLU C C 13 178.3 . . 1 . . . . . . . . 6223 1 741 . 1 1 135 135 GLU CA C 13 58.7 . . 1 . . . . . . . . 6223 1 742 . 1 1 135 135 GLU CB C 13 29.1 . . 1 . . . . . . . . 6223 1 743 . 1 1 135 135 GLU H H 1 9.15 . . 1 . . . . . . . . 6223 1 744 . 1 1 135 135 GLU HA H 1 3.80 . . 1 . . . . . . . . 6223 1 745 . 1 1 136 136 ARG N N 15 117.8 . . 1 . . . . . . . . 6223 1 746 . 1 1 136 136 ARG C C 13 181.1 . . 1 . . . . . . . . 6223 1 747 . 1 1 136 136 ARG CA C 13 57.9 . . 1 . . . . . . . . 6223 1 748 . 1 1 136 136 ARG CB C 13 29.0 . . 1 . . . . . . . . 6223 1 749 . 1 1 136 136 ARG H H 1 8.07 . . 1 . . . . . . . . 6223 1 750 . 1 1 136 136 ARG HA H 1 3.84 . . 1 . . . . . . . . 6223 1 751 . 1 1 137 137 CYS N N 15 118.4 . . 1 . . . . . . . . 6223 1 752 . 1 1 137 137 CYS C C 13 174.8 . . 1 . . . . . . . . 6223 1 753 . 1 1 137 137 CYS CA C 13 62.2 . . 1 . . . . . . . . 6223 1 754 . 1 1 137 137 CYS CB C 13 26.8 . . 1 . . . . . . . . 6223 1 755 . 1 1 137 137 CYS H H 1 7.43 . . 1 . . . . . . . . 6223 1 756 . 1 1 137 137 CYS HA H 1 4.24 . . 1 . . . . . . . . 6223 1 757 . 1 1 138 138 LYS N N 15 116.9 . . 1 . . . . . . . . 6223 1 758 . 1 1 138 138 LYS C C 13 178.9 . . 1 . . . . . . . . 6223 1 759 . 1 1 138 138 LYS CA C 13 59.2 . . 1 . . . . . . . . 6223 1 760 . 1 1 138 138 LYS CB C 13 31.3 . . 1 . . . . . . . . 6223 1 761 . 1 1 138 138 LYS H H 1 7.42 . . 1 . . . . . . . . 6223 1 762 . 1 1 138 138 LYS HA H 1 3.70 . . 1 . . . . . . . . 6223 1 763 . 1 1 139 139 LYS N N 15 116.0 . . 1 . . . . . . . . 6223 1 764 . 1 1 139 139 LYS C C 13 179.1 . . 1 . . . . . . . . 6223 1 765 . 1 1 139 139 LYS CA C 13 59.2 . . 1 . . . . . . . . 6223 1 766 . 1 1 139 139 LYS CB C 13 32.5 . . 1 . . . . . . . . 6223 1 767 . 1 1 139 139 LYS H H 1 7.75 . . 1 . . . . . . . . 6223 1 768 . 1 1 139 139 LYS HA H 1 3.96 . . 1 . . . . . . . . 6223 1 769 . 1 1 140 140 ILE N N 15 120.2 . . 1 . . . . . . . . 6223 1 770 . 1 1 140 140 ILE C C 13 176.1 . . 1 . . . . . . . . 6223 1 771 . 1 1 140 140 ILE CA C 13 64.3 . . 1 . . . . . . . . 6223 1 772 . 1 1 140 140 ILE CB C 13 37.9 . . 1 . . . . . . . . 6223 1 773 . 1 1 140 140 ILE H H 1 7.48 . . 1 . . . . . . . . 6223 1 774 . 1 1 140 140 ILE HA H 1 4.04 . . 1 . . . . . . . . 6223 1 775 . 1 1 141 141 MET N N 15 122.3 . . 1 . . . . . . . . 6223 1 776 . 1 1 141 141 MET C C 13 178.2 . . 1 . . . . . . . . 6223 1 777 . 1 1 141 141 MET CA C 13 55.4 . . 1 . . . . . . . . 6223 1 778 . 1 1 141 141 MET CB C 13 31.9 . . 1 . . . . . . . . 6223 1 779 . 1 1 141 141 MET H H 1 7.60 . . 1 . . . . . . . . 6223 1 780 . 1 1 141 141 MET HA H 1 4.55 . . 1 . . . . . . . . 6223 1 781 . 1 1 142 142 LYS N N 15 119.8 . . 1 . . . . . . . . 6223 1 782 . 1 1 142 142 LYS C C 13 177.8 . . 1 . . . . . . . . 6223 1 783 . 1 1 142 142 LYS CA C 13 58.8 . . 1 . . . . . . . . 6223 1 784 . 1 1 142 142 LYS CB C 13 31.8 . . 1 . . . . . . . . 6223 1 785 . 1 1 142 142 LYS H H 1 7.72 . . 1 . . . . . . . . 6223 1 786 . 1 1 142 142 LYS HA H 1 3.74 . . 1 . . . . . . . . 6223 1 787 . 1 1 143 143 GLN N N 15 116.6 . . 1 . . . . . . . . 6223 1 788 . 1 1 143 143 GLN C C 13 175.6 . . 1 . . . . . . . . 6223 1 789 . 1 1 143 143 GLN CA C 13 58.7 . . 1 . . . . . . . . 6223 1 790 . 1 1 143 143 GLN CB C 13 27.4 . . 1 . . . . . . . . 6223 1 791 . 1 1 143 143 GLN H H 1 7.59 . . 1 . . . . . . . . 6223 1 792 . 1 1 143 143 GLN HA H 1 4.05 . . 1 . . . . . . . . 6223 1 793 . 1 1 144 144 PHE N N 15 119.1 . . 1 . . . . . . . . 6223 1 794 . 1 1 144 144 PHE C C 13 180.1 . . 1 . . . . . . . . 6223 1 795 . 1 1 144 144 PHE CA C 13 61.7 . . 1 . . . . . . . . 6223 1 796 . 1 1 144 144 PHE CB C 13 40.0 . . 1 . . . . . . . . 6223 1 797 . 1 1 144 144 PHE H H 1 7.51 . . 1 . . . . . . . . 6223 1 798 . 1 1 144 144 PHE HA H 1 4.70 . . 1 . . . . . . . . 6223 1 799 . 1 1 145 145 ILE N N 15 119.9 . . 1 . . . . . . . . 6223 1 800 . 1 1 145 145 ILE C C 13 177.7 . . 1 . . . . . . . . 6223 1 801 . 1 1 145 145 ILE CA C 13 65.8 . . 1 . . . . . . . . 6223 1 802 . 1 1 145 145 ILE CB C 13 37.5 . . 1 . . . . . . . . 6223 1 803 . 1 1 145 145 ILE H H 1 8.16 . . 1 . . . . . . . . 6223 1 804 . 1 1 145 145 ILE HA H 1 3.08 . . 1 . . . . . . . . 6223 1 805 . 1 1 146 146 ASP N N 15 116.8 . . 1 . . . . . . . . 6223 1 806 . 1 1 146 146 ASP C C 13 178.7 . . 1 . . . . . . . . 6223 1 807 . 1 1 146 146 ASP CA C 13 56.5 . . 1 . . . . . . . . 6223 1 808 . 1 1 146 146 ASP CB C 13 40.0 . . 1 . . . . . . . . 6223 1 809 . 1 1 146 146 ASP H H 1 8.30 . . 1 . . . . . . . . 6223 1 810 . 1 1 146 146 ASP HA H 1 4.36 . . 1 . . . . . . . . 6223 1 811 . 1 1 147 147 GLU N N 15 116.9 . . 1 . . . . . . . . 6223 1 812 . 1 1 147 147 GLU C C 13 177.6 . . 1 . . . . . . . . 6223 1 813 . 1 1 147 147 GLU CA C 13 57.4 . . 1 . . . . . . . . 6223 1 814 . 1 1 147 147 GLU CB C 13 30.1 . . 1 . . . . . . . . 6223 1 815 . 1 1 147 147 GLU H H 1 7.78 . . 1 . . . . . . . . 6223 1 816 . 1 1 147 147 GLU HA H 1 4.27 . . 1 . . . . . . . . 6223 1 817 . 1 1 148 148 ARG N N 15 120.8 . . 1 . . . . . . . . 6223 1 818 . 1 1 148 148 ARG CA C 13 53.5 . . 1 . . . . . . . . 6223 1 819 . 1 1 148 148 ARG CB C 13 30.5 . . 1 . . . . . . . . 6223 1 820 . 1 1 148 148 ARG H H 1 8.48 . . 1 . . . . . . . . 6223 1 821 . 1 1 148 148 ARG HA H 1 4.58 . . 1 . . . . . . . . 6223 1 822 . 1 1 149 149 PRO C C 13 178.3 . . 1 . . . . . . . . 6223 1 823 . 1 1 149 149 PRO CA C 13 65.6 . . 1 . . . . . . . . 6223 1 824 . 1 1 149 149 PRO CB C 13 29.9 . . 1 . . . . . . . . 6223 1 825 . 1 1 150 150 GLN N N 15 113.3 . . 1 . . . . . . . . 6223 1 826 . 1 1 150 150 GLN C C 13 178.7 . . 1 . . . . . . . . 6223 1 827 . 1 1 150 150 GLN CA C 13 58.7 . . 1 . . . . . . . . 6223 1 828 . 1 1 150 150 GLN CB C 13 26.9 . . 1 . . . . . . . . 6223 1 829 . 1 1 150 150 GLN H H 1 8.24 . . 1 . . . . . . . . 6223 1 830 . 1 1 150 150 GLN HA H 1 4.24 . . 1 . . . . . . . . 6223 1 831 . 1 1 151 151 ASP N N 15 122.6 . . 1 . . . . . . . . 6223 1 832 . 1 1 151 151 ASP C C 13 177.0 . . 1 . . . . . . . . 6223 1 833 . 1 1 151 151 ASP CA C 13 56.5 . . 1 . . . . . . . . 6223 1 834 . 1 1 151 151 ASP CB C 13 41.3 . . 1 . . . . . . . . 6223 1 835 . 1 1 151 151 ASP H H 1 7.29 . . 1 . . . . . . . . 6223 1 836 . 1 1 151 151 ASP HA H 1 4.67 . . 1 . . . . . . . . 6223 1 837 . 1 1 152 152 TRP N N 15 119.7 . . 1 . . . . . . . . 6223 1 838 . 1 1 152 152 TRP C C 13 176.4 . . 1 . . . . . . . . 6223 1 839 . 1 1 152 152 TRP CA C 13 58.1 . . 1 . . . . . . . . 6223 1 840 . 1 1 152 152 TRP CB C 13 29.9 . . 1 . . . . . . . . 6223 1 841 . 1 1 152 152 TRP H H 1 7.55 . . 1 . . . . . . . . 6223 1 842 . 1 1 152 152 TRP HA H 1 5.10 . . 1 . . . . . . . . 6223 1 843 . 1 1 153 153 PHE N N 15 114.1 . . 1 . . . . . . . . 6223 1 844 . 1 1 153 153 PHE C C 13 178.7 . . 1 . . . . . . . . 6223 1 845 . 1 1 153 153 PHE CA C 13 59.0 . . 1 . . . . . . . . 6223 1 846 . 1 1 153 153 PHE CB C 13 36.0 . . 1 . . . . . . . . 6223 1 847 . 1 1 153 153 PHE H H 1 8.41 . . 1 . . . . . . . . 6223 1 848 . 1 1 153 153 PHE HA H 1 4.00 . . 1 . . . . . . . . 6223 1 849 . 1 1 154 154 GLU N N 15 117.9 . . 1 . . . . . . . . 6223 1 850 . 1 1 154 154 GLU C C 13 177.8 . . 1 . . . . . . . . 6223 1 851 . 1 1 154 154 GLU CA C 13 59.1 . . 1 . . . . . . . . 6223 1 852 . 1 1 154 154 GLU CB C 13 29.5 . . 1 . . . . . . . . 6223 1 853 . 1 1 154 154 GLU H H 1 7.74 . . 1 . . . . . . . . 6223 1 854 . 1 1 154 154 GLU HA H 1 4.42 . . 1 . . . . . . . . 6223 1 855 . 1 1 155 155 ASP N N 15 118.8 . . 1 . . . . . . . . 6223 1 856 . 1 1 155 155 ASP C C 13 176.3 . . 1 . . . . . . . . 6223 1 857 . 1 1 155 155 ASP CA C 13 55.9 . . 1 . . . . . . . . 6223 1 858 . 1 1 155 155 ASP CB C 13 42.8 . . 1 . . . . . . . . 6223 1 859 . 1 1 155 155 ASP H H 1 7.52 . . 1 . . . . . . . . 6223 1 860 . 1 1 155 155 ASP HA H 1 4.01 . . 1 . . . . . . . . 6223 1 861 . 1 1 156 156 ILE N N 15 105.2 . . 1 . . . . . . . . 6223 1 862 . 1 1 156 156 ILE C C 13 176.4 . . 1 . . . . . . . . 6223 1 863 . 1 1 156 156 ILE CA C 13 59.7 . . 1 . . . . . . . . 6223 1 864 . 1 1 156 156 ILE CB C 13 37.3 . . 1 . . . . . . . . 6223 1 865 . 1 1 156 156 ILE H H 1 6.77 . . 1 . . . . . . . . 6223 1 866 . 1 1 156 156 ILE HA H 1 4.64 . . 1 . . . . . . . . 6223 1 867 . 1 1 157 157 GLY N N 15 108.9 . . 1 . . . . . . . . 6223 1 868 . 1 1 157 157 GLY C C 13 174.2 . . 1 . . . . . . . . 6223 1 869 . 1 1 157 157 GLY CA C 13 47.5 . . 1 . . . . . . . . 6223 1 870 . 1 1 157 157 GLY H H 1 7.68 . . 1 . . . . . . . . 6223 1 871 . 1 1 157 157 GLY HA2 H 1 4.29 . . 1 . . . . . . . . 6223 1 872 . 1 1 157 157 GLY HA3 H 1 3.90 . . 1 . . . . . . . . 6223 1 873 . 1 1 158 158 GLU N N 15 126.2 . . 1 . . . . . . . . 6223 1 874 . 1 1 158 158 GLU CA C 13 57.1 . . 1 . . . . . . . . 6223 1 875 . 1 1 158 158 GLU CB C 13 30.8 . . 1 . . . . . . . . 6223 1 876 . 1 1 158 158 GLU H H 1 8.53 . . 1 . . . . . . . . 6223 1 877 . 1 1 158 158 GLU HA H 1 4.29 . . 1 . . . . . . . . 6223 1 stop_ save_