data_5090 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5090 _Entry.Title ; Letter to the Editor: 1H(N), 15N, 13CO, 13C[agr], 13C[bgr] Assignment and Secondary Structure of a 20 kDa [agr]-L-fucosidase from Pea using TROSY ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2001-07-19 _Entry.Accession_date 2001-07-24 _Entry.Last_release_date 2002-08-22 _Entry.Original_release_date 2002-08-22 _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 Anna Codina . . . 5090 2 Margarida Gairi . . . 5090 3 Teresa Tarrago . . . 5090 4 'Ana Rosa' Viguera . . . 5090 5 Miguel Feliz . . . 5090 6 Dolors Ludevid . . . 5090 7 Ernest Giralt . . . 5090 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5090 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 156 5090 '13C chemical shifts' 505 5090 '15N chemical shifts' 156 5090 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 . . 2002-08-22 2001-07-19 original author . 5090 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5090 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21986772 _Citation.DOI . _Citation.PubMed_ID 11991358 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H(N), 15N, 13CO, 13C[agr], 13C[bgr] Assignment and Secondary Structure of a 20 kDa [agr]-L-fucosidase from Pea using TROSY ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 3 _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 295 _Citation.Page_last 296 _Citation.Year 2002 _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 Anna Codina . . . 5090 1 2 Margarida Gairi . . . 5090 1 3 Teresa Tarrago . . . 5090 1 4 'Ana Rosa' Viguera . . . 5090 1 5 Miguel Feliz . . . 5090 1 6 Dolors Ludevid . . . 5090 1 7 Ernest Giralt . . . 5090 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Fuc _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Fuc _Assembly.Entry_ID 5090 _Assembly.ID 1 _Assembly.Name alfa-L-fucosidase _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 'disulfide bound and free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.2.1.51 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5090 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 alfa-L-fucosidase 1 $alfa-L-fucosidase . . . native . . . . . 5090 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 disulfide single . 1 . . CYS 48 48 SG . 1 . 1 CYS 93 93 SG . . . . . . . . . . 5090 1 2 disulfide single . 1 . . CYS 146 146 SG . 1 . 1 CYS 153 153 SG . . . . . . . . . . 5090 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID alfa-L-fucosidase system 5090 1 Fuc abbreviation 5090 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_alfa-L-fucosidase _Entity.Sf_category entity _Entity.Sf_framecode alfa-L-fucosidase _Entity.Entry_ID 5090 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'pea alfa-L-fucosidase' _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 ; GSHMEDVEQVLDINGNPIFP GVQYFILPAIRGPAGGGVRL GRTGDLTCPVTVLQDRQEVK YGLPVKFVIPEISPGIIFTG TPIEIEYAKKPNCAKSSKWL VFVDNVIQKACVGIGGPENY PGVQTLSGLFKIEKHESGFG YKLGFCVKGSPTCLDVGRFD NDEDGRRLNLTEHESFQVVF IQAEANDAEFIKSVV ; _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 195 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'disulfide bound and free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no EMBL CAA57931 . "alpha-fucosidase [Pisum sativum]" . . . . . 97.95 217 98.43 98.43 5.29e-132 . . . . 5090 1 2 no SP Q41015 . "RecName: Full=Kunitz-type trypsin inhibitor-like 1 protein; AltName: Full=Protease inhibitor from pea 1; Flags: Precursor [Pisu" . . . . . 97.95 217 98.43 98.43 5.29e-132 . . . . 5090 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'pea alfa-L-fucosidase' common 5090 1 Fuc abbreviation 5090 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 5090 1 2 . SER . 5090 1 3 . HIS . 5090 1 4 . MET . 5090 1 5 . GLU . 5090 1 6 . ASP . 5090 1 7 . VAL . 5090 1 8 . GLU . 5090 1 9 . GLN . 5090 1 10 . VAL . 5090 1 11 . LEU . 5090 1 12 . ASP . 5090 1 13 . ILE . 5090 1 14 . ASN . 5090 1 15 . GLY . 5090 1 16 . ASN . 5090 1 17 . PRO . 5090 1 18 . ILE . 5090 1 19 . PHE . 5090 1 20 . PRO . 5090 1 21 . GLY . 5090 1 22 . VAL . 5090 1 23 . GLN . 5090 1 24 . TYR . 5090 1 25 . PHE . 5090 1 26 . ILE . 5090 1 27 . LEU . 5090 1 28 . PRO . 5090 1 29 . ALA . 5090 1 30 . ILE . 5090 1 31 . ARG . 5090 1 32 . GLY . 5090 1 33 . PRO . 5090 1 34 . ALA . 5090 1 35 . GLY . 5090 1 36 . GLY . 5090 1 37 . GLY . 5090 1 38 . VAL . 5090 1 39 . ARG . 5090 1 40 . LEU . 5090 1 41 . GLY . 5090 1 42 . ARG . 5090 1 43 . THR . 5090 1 44 . GLY . 5090 1 45 . ASP . 5090 1 46 . LEU . 5090 1 47 . THR . 5090 1 48 . CYS . 5090 1 49 . PRO . 5090 1 50 . VAL . 5090 1 51 . THR . 5090 1 52 . VAL . 5090 1 53 . LEU . 5090 1 54 . GLN . 5090 1 55 . ASP . 5090 1 56 . ARG . 5090 1 57 . GLN . 5090 1 58 . GLU . 5090 1 59 . VAL . 5090 1 60 . LYS . 5090 1 61 . TYR . 5090 1 62 . GLY . 5090 1 63 . LEU . 5090 1 64 . PRO . 5090 1 65 . VAL . 5090 1 66 . LYS . 5090 1 67 . PHE . 5090 1 68 . VAL . 5090 1 69 . ILE . 5090 1 70 . PRO . 5090 1 71 . GLU . 5090 1 72 . ILE . 5090 1 73 . SER . 5090 1 74 . PRO . 5090 1 75 . GLY . 5090 1 76 . ILE . 5090 1 77 . ILE . 5090 1 78 . PHE . 5090 1 79 . THR . 5090 1 80 . GLY . 5090 1 81 . THR . 5090 1 82 . PRO . 5090 1 83 . ILE . 5090 1 84 . GLU . 5090 1 85 . ILE . 5090 1 86 . GLU . 5090 1 87 . TYR . 5090 1 88 . ALA . 5090 1 89 . LYS . 5090 1 90 . LYS . 5090 1 91 . PRO . 5090 1 92 . ASN . 5090 1 93 . CYS . 5090 1 94 . ALA . 5090 1 95 . LYS . 5090 1 96 . SER . 5090 1 97 . SER . 5090 1 98 . LYS . 5090 1 99 . TRP . 5090 1 100 . LEU . 5090 1 101 . VAL . 5090 1 102 . PHE . 5090 1 103 . VAL . 5090 1 104 . ASP . 5090 1 105 . ASN . 5090 1 106 . VAL . 5090 1 107 . ILE . 5090 1 108 . GLN . 5090 1 109 . LYS . 5090 1 110 . ALA . 5090 1 111 . CYS . 5090 1 112 . VAL . 5090 1 113 . GLY . 5090 1 114 . ILE . 5090 1 115 . GLY . 5090 1 116 . GLY . 5090 1 117 . PRO . 5090 1 118 . GLU . 5090 1 119 . ASN . 5090 1 120 . TYR . 5090 1 121 . PRO . 5090 1 122 . GLY . 5090 1 123 . VAL . 5090 1 124 . GLN . 5090 1 125 . THR . 5090 1 126 . LEU . 5090 1 127 . SER . 5090 1 128 . GLY . 5090 1 129 . LEU . 5090 1 130 . PHE . 5090 1 131 . LYS . 5090 1 132 . ILE . 5090 1 133 . GLU . 5090 1 134 . LYS . 5090 1 135 . HIS . 5090 1 136 . GLU . 5090 1 137 . SER . 5090 1 138 . GLY . 5090 1 139 . PHE . 5090 1 140 . GLY . 5090 1 141 . TYR . 5090 1 142 . LYS . 5090 1 143 . LEU . 5090 1 144 . GLY . 5090 1 145 . PHE . 5090 1 146 . CYS . 5090 1 147 . VAL . 5090 1 148 . LYS . 5090 1 149 . GLY . 5090 1 150 . SER . 5090 1 151 . PRO . 5090 1 152 . THR . 5090 1 153 . CYS . 5090 1 154 . LEU . 5090 1 155 . ASP . 5090 1 156 . VAL . 5090 1 157 . GLY . 5090 1 158 . ARG . 5090 1 159 . PHE . 5090 1 160 . ASP . 5090 1 161 . ASN . 5090 1 162 . ASP . 5090 1 163 . GLU . 5090 1 164 . ASP . 5090 1 165 . GLY . 5090 1 166 . ARG . 5090 1 167 . ARG . 5090 1 168 . LEU . 5090 1 169 . ASN . 5090 1 170 . LEU . 5090 1 171 . THR . 5090 1 172 . GLU . 5090 1 173 . HIS . 5090 1 174 . GLU . 5090 1 175 . SER . 5090 1 176 . PHE . 5090 1 177 . GLN . 5090 1 178 . VAL . 5090 1 179 . VAL . 5090 1 180 . PHE . 5090 1 181 . ILE . 5090 1 182 . GLN . 5090 1 183 . ALA . 5090 1 184 . GLU . 5090 1 185 . ALA . 5090 1 186 . ASN . 5090 1 187 . ASP . 5090 1 188 . ALA . 5090 1 189 . GLU . 5090 1 190 . PHE . 5090 1 191 . ILE . 5090 1 192 . LYS . 5090 1 193 . SER . 5090 1 194 . VAL . 5090 1 195 . VAL . 5090 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5090 1 . SER 2 2 5090 1 . HIS 3 3 5090 1 . MET 4 4 5090 1 . GLU 5 5 5090 1 . ASP 6 6 5090 1 . VAL 7 7 5090 1 . GLU 8 8 5090 1 . GLN 9 9 5090 1 . VAL 10 10 5090 1 . LEU 11 11 5090 1 . ASP 12 12 5090 1 . ILE 13 13 5090 1 . ASN 14 14 5090 1 . GLY 15 15 5090 1 . ASN 16 16 5090 1 . PRO 17 17 5090 1 . ILE 18 18 5090 1 . PHE 19 19 5090 1 . PRO 20 20 5090 1 . GLY 21 21 5090 1 . VAL 22 22 5090 1 . GLN 23 23 5090 1 . TYR 24 24 5090 1 . PHE 25 25 5090 1 . ILE 26 26 5090 1 . LEU 27 27 5090 1 . PRO 28 28 5090 1 . ALA 29 29 5090 1 . ILE 30 30 5090 1 . ARG 31 31 5090 1 . GLY 32 32 5090 1 . PRO 33 33 5090 1 . ALA 34 34 5090 1 . GLY 35 35 5090 1 . GLY 36 36 5090 1 . GLY 37 37 5090 1 . VAL 38 38 5090 1 . ARG 39 39 5090 1 . LEU 40 40 5090 1 . GLY 41 41 5090 1 . ARG 42 42 5090 1 . THR 43 43 5090 1 . GLY 44 44 5090 1 . ASP 45 45 5090 1 . LEU 46 46 5090 1 . THR 47 47 5090 1 . CYS 48 48 5090 1 . PRO 49 49 5090 1 . VAL 50 50 5090 1 . THR 51 51 5090 1 . VAL 52 52 5090 1 . LEU 53 53 5090 1 . GLN 54 54 5090 1 . ASP 55 55 5090 1 . ARG 56 56 5090 1 . GLN 57 57 5090 1 . GLU 58 58 5090 1 . VAL 59 59 5090 1 . LYS 60 60 5090 1 . TYR 61 61 5090 1 . GLY 62 62 5090 1 . LEU 63 63 5090 1 . PRO 64 64 5090 1 . VAL 65 65 5090 1 . LYS 66 66 5090 1 . PHE 67 67 5090 1 . VAL 68 68 5090 1 . ILE 69 69 5090 1 . PRO 70 70 5090 1 . GLU 71 71 5090 1 . ILE 72 72 5090 1 . SER 73 73 5090 1 . PRO 74 74 5090 1 . GLY 75 75 5090 1 . ILE 76 76 5090 1 . ILE 77 77 5090 1 . PHE 78 78 5090 1 . THR 79 79 5090 1 . GLY 80 80 5090 1 . THR 81 81 5090 1 . PRO 82 82 5090 1 . ILE 83 83 5090 1 . GLU 84 84 5090 1 . ILE 85 85 5090 1 . GLU 86 86 5090 1 . TYR 87 87 5090 1 . ALA 88 88 5090 1 . LYS 89 89 5090 1 . LYS 90 90 5090 1 . PRO 91 91 5090 1 . ASN 92 92 5090 1 . CYS 93 93 5090 1 . ALA 94 94 5090 1 . LYS 95 95 5090 1 . SER 96 96 5090 1 . SER 97 97 5090 1 . LYS 98 98 5090 1 . TRP 99 99 5090 1 . LEU 100 100 5090 1 . VAL 101 101 5090 1 . PHE 102 102 5090 1 . VAL 103 103 5090 1 . ASP 104 104 5090 1 . ASN 105 105 5090 1 . VAL 106 106 5090 1 . ILE 107 107 5090 1 . GLN 108 108 5090 1 . LYS 109 109 5090 1 . ALA 110 110 5090 1 . CYS 111 111 5090 1 . VAL 112 112 5090 1 . GLY 113 113 5090 1 . ILE 114 114 5090 1 . GLY 115 115 5090 1 . GLY 116 116 5090 1 . PRO 117 117 5090 1 . GLU 118 118 5090 1 . ASN 119 119 5090 1 . TYR 120 120 5090 1 . PRO 121 121 5090 1 . GLY 122 122 5090 1 . VAL 123 123 5090 1 . GLN 124 124 5090 1 . THR 125 125 5090 1 . LEU 126 126 5090 1 . SER 127 127 5090 1 . GLY 128 128 5090 1 . LEU 129 129 5090 1 . PHE 130 130 5090 1 . LYS 131 131 5090 1 . ILE 132 132 5090 1 . GLU 133 133 5090 1 . LYS 134 134 5090 1 . HIS 135 135 5090 1 . GLU 136 136 5090 1 . SER 137 137 5090 1 . GLY 138 138 5090 1 . PHE 139 139 5090 1 . GLY 140 140 5090 1 . TYR 141 141 5090 1 . LYS 142 142 5090 1 . LEU 143 143 5090 1 . GLY 144 144 5090 1 . PHE 145 145 5090 1 . CYS 146 146 5090 1 . VAL 147 147 5090 1 . LYS 148 148 5090 1 . GLY 149 149 5090 1 . SER 150 150 5090 1 . PRO 151 151 5090 1 . THR 152 152 5090 1 . CYS 153 153 5090 1 . LEU 154 154 5090 1 . ASP 155 155 5090 1 . VAL 156 156 5090 1 . GLY 157 157 5090 1 . ARG 158 158 5090 1 . PHE 159 159 5090 1 . ASP 160 160 5090 1 . ASN 161 161 5090 1 . ASP 162 162 5090 1 . GLU 163 163 5090 1 . ASP 164 164 5090 1 . GLY 165 165 5090 1 . ARG 166 166 5090 1 . ARG 167 167 5090 1 . LEU 168 168 5090 1 . ASN 169 169 5090 1 . LEU 170 170 5090 1 . THR 171 171 5090 1 . GLU 172 172 5090 1 . HIS 173 173 5090 1 . GLU 174 174 5090 1 . SER 175 175 5090 1 . PHE 176 176 5090 1 . GLN 177 177 5090 1 . VAL 178 178 5090 1 . VAL 179 179 5090 1 . PHE 180 180 5090 1 . ILE 181 181 5090 1 . GLN 182 182 5090 1 . ALA 183 183 5090 1 . GLU 184 184 5090 1 . ALA 185 185 5090 1 . ASN 186 186 5090 1 . ASP 187 187 5090 1 . ALA 188 188 5090 1 . GLU 189 189 5090 1 . PHE 190 190 5090 1 . ILE 191 191 5090 1 . LYS 192 192 5090 1 . SER 193 193 5090 1 . VAL 194 194 5090 1 . VAL 195 195 5090 1 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 5090 _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 $alfa-L-fucosidase . 3888 . . 'Pisum sativum' Pea . . Eukaryota Viridiplantae Pisum sativum . . . . . . . . . . . . . . . . . . . . . 5090 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 5090 _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 $alfa-L-fucosidase . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5090 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5090 _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 'pea alfa-L-fucosidase' '[U-99% 13C; U-99% 15N; U-85% 2H]' . . 1 $alfa-L-fucosidase . . . 0.8 1.0 mM . . . . 5090 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5090 _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 7.7 0.1 n/a 5090 1 temperature 298 0.2 K 5090 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 5090 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5090 _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 Bruker Avance . 800 . . . 5090 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 5090 _Experiment_list.ID 1 _Experiment_list.Details . 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 5090 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift assignment were made based on TROSY experiments performed with a deuterated sample. Isotopic efect were corrected with a factor of +0.23 ppm in case of 15N (Gardner et al., 1996) and according to the number of deuterons one and two bond away from the 13Ca and 13Cb nucleus (Venters et al., 1996). TROSY effect were corrected based on a JHN of 93 Hz. The chemical shifts 620-624 correspond to a Ser that has a previous Pro. Instead of Ser150 it could be Ser2 but this last assignment is not provable because Ser2 is in the floppy N-terminus of the protein. ; 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 TSP 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5090 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5090 1 C 13 TSP 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5090 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 5090 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; Chemical shift assignment were made based on TROSY experiments performed with a deuterated sample. Isotopic efect were corrected with a factor of +0.23 ppm in case of 15N (Gardner et al., 1996) and according to the number of deuterons one and two bond away from the 13Ca and 13Cb nucleus (Venters et al., 1996). TROSY effect were corrected based on a JHN of 93 Hz. ; _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 . 5090 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 HIS C C 13 177.05 0.02 . 1 . . . . . . . . 5090 1 2 . 1 1 3 3 HIS CA C 13 48.3 0.03 . 1 . . . . . . . . 5090 1 3 . 1 1 4 4 MET H H 1 8.355 0.01 . 1 . . . . . . . . 5090 1 4 . 1 1 4 4 MET N N 15 122.754 0.05 . 1 . . . . . . . . 5090 1 5 . 1 1 4 4 MET C C 13 175.97 0.02 . 1 . . . . . . . . 5090 1 6 . 1 1 4 4 MET CA C 13 55.28 0.03 . 1 . . . . . . . . 5090 1 7 . 1 1 4 4 MET CB C 13 33.19 0.06 . 1 . . . . . . . . 5090 1 8 . 1 1 5 5 GLU H H 1 8.353 0.01 . 1 . . . . . . . . 5090 1 9 . 1 1 5 5 GLU N N 15 121.374 0.05 . 1 . . . . . . . . 5090 1 10 . 1 1 5 5 GLU C C 13 176.18 0.02 . 1 . . . . . . . . 5090 1 11 . 1 1 5 5 GLU CA C 13 56.86 0.03 . 1 . . . . . . . . 5090 1 12 . 1 1 5 5 GLU CB C 13 30.61 0.06 . 1 . . . . . . . . 5090 1 13 . 1 1 6 6 ASP H H 1 8.412 0.01 . 1 . . . . . . . . 5090 1 14 . 1 1 6 6 ASP N N 15 121.008 0.05 . 1 . . . . . . . . 5090 1 15 . 1 1 6 6 ASP C C 13 175.80 0.02 . 1 . . . . . . . . 5090 1 16 . 1 1 6 6 ASP CA C 13 54.75 0.03 . 1 . . . . . . . . 5090 1 17 . 1 1 6 6 ASP CB C 13 41.84 0.06 . 1 . . . . . . . . 5090 1 18 . 1 1 7 7 VAL H H 1 7.835 0.01 . 1 . . . . . . . . 5090 1 19 . 1 1 7 7 VAL N N 15 118.422 0.05 . 1 . . . . . . . . 5090 1 20 . 1 1 7 7 VAL C C 13 175.32 0.02 . 1 . . . . . . . . 5090 1 21 . 1 1 7 7 VAL CA C 13 61.99 0.03 . 1 . . . . . . . . 5090 1 22 . 1 1 7 7 VAL CB C 13 33.71 0.06 . 1 . . . . . . . . 5090 1 23 . 1 1 8 8 GLU H H 1 8.245 0.01 . 1 . . . . . . . . 5090 1 24 . 1 1 8 8 GLU N N 15 121.608 0.05 . 1 . . . . . . . . 5090 1 25 . 1 1 8 8 GLU C C 13 175.77 0.02 . 1 . . . . . . . . 5090 1 26 . 1 1 8 8 GLU CA C 13 55 0.03 . 1 . . . . . . . . 5090 1 27 . 1 1 8 8 GLU CB C 13 33.68 0.06 . 1 . . . . . . . . 5090 1 28 . 1 1 9 9 GLN H H 1 8.873 0.01 . 1 . . . . . . . . 5090 1 29 . 1 1 9 9 GLN N N 15 122.429 0.05 . 1 . . . . . . . . 5090 1 30 . 1 1 9 9 GLN C C 13 176.3 0.02 . 1 . . . . . . . . 5090 1 31 . 1 1 9 9 GLN CA C 13 57.5 0.03 . 1 . . . . . . . . 5090 1 32 . 1 1 9 9 GLN CB C 13 29.19 0.06 . 1 . . . . . . . . 5090 1 33 . 1 1 10 10 VAL H H 1 7.832 0.01 . 1 . . . . . . . . 5090 1 34 . 1 1 10 10 VAL N N 15 126.463 0.05 . 1 . . . . . . . . 5090 1 35 . 1 1 10 10 VAL C C 13 173.62 0.02 . 1 . . . . . . . . 5090 1 36 . 1 1 10 10 VAL CA C 13 64.23 0.03 . 1 . . . . . . . . 5090 1 37 . 1 1 10 10 VAL CB C 13 31.38 0.06 . 1 . . . . . . . . 5090 1 38 . 1 1 11 11 LEU H H 1 7.386 0.01 . 1 . . . . . . . . 5090 1 39 . 1 1 11 11 LEU N N 15 125.122 0.05 . 1 . . . . . . . . 5090 1 40 . 1 1 11 11 LEU C C 13 176.5 0.02 . 1 . . . . . . . . 5090 1 41 . 1 1 11 11 LEU CA C 13 52.97 0.03 . 1 . . . . . . . . 5090 1 42 . 1 1 11 11 LEU CB C 13 45.68 0.06 . 1 . . . . . . . . 5090 1 43 . 1 1 12 12 ASP H H 1 9.033 0.01 . 1 . . . . . . . . 5090 1 44 . 1 1 12 12 ASP N N 15 118.218 0.05 . 1 . . . . . . . . 5090 1 45 . 1 1 12 12 ASP C C 13 180.36 0.02 . 1 . . . . . . . . 5090 1 46 . 1 1 12 12 ASP CA C 13 53 0.03 . 1 . . . . . . . . 5090 1 47 . 1 1 12 12 ASP CB C 13 42.66 0.06 . 1 . . . . . . . . 5090 1 48 . 1 1 13 13 ILE H H 1 8.502 0.01 . 1 . . . . . . . . 5090 1 49 . 1 1 13 13 ILE N N 15 115.688 0.05 . 1 . . . . . . . . 5090 1 50 . 1 1 13 13 ILE C C 13 176.63 0.02 . 1 . . . . . . . . 5090 1 51 . 1 1 13 13 ILE CA C 13 64.04 0.03 . 1 . . . . . . . . 5090 1 52 . 1 1 13 13 ILE CB C 13 39.74 0.06 . 1 . . . . . . . . 5090 1 53 . 1 1 14 14 ASN H H 1 8.328 0.01 . 1 . . . . . . . . 5090 1 54 . 1 1 14 14 ASN N N 15 119.318 0.05 . 1 . . . . . . . . 5090 1 55 . 1 1 14 14 ASN C C 13 175.69 0.02 . 1 . . . . . . . . 5090 1 56 . 1 1 14 14 ASN CA C 13 53.53 0.03 . 1 . . . . . . . . 5090 1 57 . 1 1 14 14 ASN CB C 13 40.6 0.06 . 1 . . . . . . . . 5090 1 58 . 1 1 15 15 GLY H H 1 8.541 0.01 . 1 . . . . . . . . 5090 1 59 . 1 1 15 15 GLY N N 15 108.397 0.05 . 1 . . . . . . . . 5090 1 60 . 1 1 15 15 GLY C C 13 173.43 0.02 . 1 . . . . . . . . 5090 1 61 . 1 1 15 15 GLY CA C 13 45.71 0.03 . 1 . . . . . . . . 5090 1 62 . 1 1 16 16 ASN H H 1 8.424 0.01 . 1 . . . . . . . . 5090 1 63 . 1 1 16 16 ASN N N 15 120.747 0.05 . 1 . . . . . . . . 5090 1 64 . 1 1 16 16 ASN C C 13 172.34 0.02 . 1 . . . . . . . . 5090 1 65 . 1 1 16 16 ASN CA C 13 51.05 0.03 . 1 . . . . . . . . 5090 1 66 . 1 1 16 16 ASN CB C 13 39.15 0.06 . 1 . . . . . . . . 5090 1 67 . 1 1 17 17 PRO C C 13 175.43 0.02 . 1 . . . . . . . . 5090 1 68 . 1 1 17 17 PRO CA C 13 62.96 0.03 . 1 . . . . . . . . 5090 1 69 . 1 1 17 17 PRO CB C 13 32.26 0.06 . 1 . . . . . . . . 5090 1 70 . 1 1 18 18 ILE H H 1 7.569 0.01 . 1 . . . . . . . . 5090 1 71 . 1 1 18 18 ILE N N 15 117.884 0.05 . 1 . . . . . . . . 5090 1 72 . 1 1 18 18 ILE C C 13 174.94 0.02 . 1 . . . . . . . . 5090 1 73 . 1 1 18 18 ILE CA C 13 59.21 0.03 . 1 . . . . . . . . 5090 1 74 . 1 1 18 18 ILE CB C 13 37.38 0.06 . 1 . . . . . . . . 5090 1 75 . 1 1 19 19 PHE H H 1 7.981 0.01 . 1 . . . . . . . . 5090 1 76 . 1 1 19 19 PHE N N 15 123.153 0.05 . 1 . . . . . . . . 5090 1 77 . 1 1 19 19 PHE C C 13 174.88 0.02 . 1 . . . . . . . . 5090 1 78 . 1 1 19 19 PHE CA C 13 55.01 0.03 . 1 . . . . . . . . 5090 1 79 . 1 1 19 19 PHE CB C 13 42.11 0.06 . 1 . . . . . . . . 5090 1 80 . 1 1 20 20 PRO C C 13 177.10 0.02 . 1 . . . . . . . . 5090 1 81 . 1 1 20 20 PRO CA C 13 63.54 0.03 . 1 . . . . . . . . 5090 1 82 . 1 1 20 20 PRO CB C 13 33 0.06 . 1 . . . . . . . . 5090 1 83 . 1 1 21 21 GLY H H 1 8.586 0.01 . 1 . . . . . . . . 5090 1 84 . 1 1 21 21 GLY N N 15 111.492 0.05 . 1 . . . . . . . . 5090 1 85 . 1 1 21 21 GLY C C 13 173.1 0.02 . 1 . . . . . . . . 5090 1 86 . 1 1 21 21 GLY CA C 13 46.14 0.03 . 1 . . . . . . . . 5090 1 87 . 1 1 22 22 VAL H H 1 7.446 0.01 . 1 . . . . . . . . 5090 1 88 . 1 1 22 22 VAL N N 15 123.153 0.05 . 1 . . . . . . . . 5090 1 89 . 1 1 22 22 VAL C C 13 174.51 0.02 . 1 . . . . . . . . 5090 1 90 . 1 1 22 22 VAL CA C 13 62.08 0.03 . 1 . . . . . . . . 5090 1 91 . 1 1 22 22 VAL CB C 13 33.77 0.06 . 1 . . . . . . . . 5090 1 92 . 1 1 23 23 GLN H H 1 8.23 0.01 . 1 . . . . . . . . 5090 1 93 . 1 1 23 23 GLN N N 15 123.372 0.05 . 1 . . . . . . . . 5090 1 94 . 1 1 23 23 GLN C C 13 175.92 0.02 . 1 . . . . . . . . 5090 1 95 . 1 1 23 23 GLN CA C 13 56.02 0.03 . 1 . . . . . . . . 5090 1 96 . 1 1 23 23 GLN CB C 13 30.45 0.06 . 1 . . . . . . . . 5090 1 97 . 1 1 24 24 TYR H H 1 9.471 0.01 . 1 . . . . . . . . 5090 1 98 . 1 1 24 24 TYR N N 15 121.352 0.05 . 1 . . . . . . . . 5090 1 99 . 1 1 24 24 TYR C C 13 175.34 0.02 . 1 . . . . . . . . 5090 1 100 . 1 1 24 24 TYR CA C 13 58.3 0.03 . 1 . . . . . . . . 5090 1 101 . 1 1 24 24 TYR CB C 13 43.57 0.06 . 1 . . . . . . . . 5090 1 102 . 1 1 25 25 PHE H H 1 9.807 0.01 . 1 . . . . . . . . 5090 1 103 . 1 1 25 25 PHE N N 15 119.221 0.05 . 1 . . . . . . . . 5090 1 104 . 1 1 25 25 PHE C C 13 176.05 0.02 . 1 . . . . . . . . 5090 1 105 . 1 1 25 25 PHE CA C 13 57.4 0.03 . 1 . . . . . . . . 5090 1 106 . 1 1 25 25 PHE CB C 13 41.79 0.06 . 1 . . . . . . . . 5090 1 107 . 1 1 26 26 ILE H H 1 8.825 0.01 . 1 . . . . . . . . 5090 1 108 . 1 1 26 26 ILE N N 15 121.261 0.05 . 1 . . . . . . . . 5090 1 109 . 1 1 26 26 ILE C C 13 173.92 0.02 . 1 . . . . . . . . 5090 1 110 . 1 1 26 26 ILE CA C 13 61.82 0.03 . 1 . . . . . . . . 5090 1 111 . 1 1 26 26 ILE CB C 13 39.59 0.06 . 1 . . . . . . . . 5090 1 112 . 1 1 27 27 LEU H H 1 8.122 0.01 . 1 . . . . . . . . 5090 1 113 . 1 1 27 27 LEU N N 15 125.778 0.05 . 1 . . . . . . . . 5090 1 114 . 1 1 27 27 LEU C C 13 173.71 0.02 . 9 . . . . . . . . 5090 1 115 . 1 1 27 27 LEU CA C 13 50.6 0.03 . 1 . . . . . . . . 5090 1 116 . 1 1 27 27 LEU CB C 13 44.19 0.06 . 1 . . . . . . . . 5090 1 117 . 1 1 28 28 PRO C C 13 177.24 0.02 . 1 . . . . . . . . 5090 1 118 . 1 1 28 28 PRO CA C 13 62.38 0.03 . 1 . . . . . . . . 5090 1 119 . 1 1 28 28 PRO CB C 13 32.62 0.06 . 1 . . . . . . . . 5090 1 120 . 1 1 29 29 ALA H H 1 7.853 0.01 . 1 . . . . . . . . 5090 1 121 . 1 1 29 29 ALA N N 15 123.142 0.05 . 1 . . . . . . . . 5090 1 122 . 1 1 29 29 ALA C C 13 177.14 0.02 . 1 . . . . . . . . 5090 1 123 . 1 1 29 29 ALA CA C 13 54.25 0.03 . 1 . . . . . . . . 5090 1 124 . 1 1 29 29 ALA CB C 13 19.42 0.06 . 1 . . . . . . . . 5090 1 125 . 1 1 33 33 PRO C C 13 177.62 0.02 . 1 . . . . . . . . 5090 1 126 . 1 1 33 33 PRO CA C 13 64.41 0.03 . 1 . . . . . . . . 5090 1 127 . 1 1 33 33 PRO CB C 13 32.56 0.06 . 1 . . . . . . . . 5090 1 128 . 1 1 34 34 ALA H H 1 8.595 0.01 . 1 . . . . . . . . 5090 1 129 . 1 1 34 34 ALA N N 15 122.905 0.05 . 1 . . . . . . . . 5090 1 130 . 1 1 34 34 ALA C C 13 178.55 0.02 . 1 . . . . . . . . 5090 1 131 . 1 1 34 34 ALA CA C 13 54.24 0.03 . 1 . . . . . . . . 5090 1 132 . 1 1 34 34 ALA CB C 13 20.21 0.06 . 1 . . . . . . . . 5090 1 133 . 1 1 35 35 GLY H H 1 8.186 0.01 . 1 . . . . . . . . 5090 1 134 . 1 1 35 35 GLY N N 15 104.795 0.05 . 1 . . . . . . . . 5090 1 135 . 1 1 35 35 GLY C C 13 172.48 0.02 . 1 . . . . . . . . 5090 1 136 . 1 1 35 35 GLY CA C 13 45.08 0.03 . 1 . . . . . . . . 5090 1 137 . 1 1 36 36 GLY H H 1 8.21 0.01 . 1 . . . . . . . . 5090 1 138 . 1 1 36 36 GLY N N 15 110.685 0.05 . 1 . . . . . . . . 5090 1 139 . 1 1 36 36 GLY C C 13 174.94 0.02 . 1 . . . . . . . . 5090 1 140 . 1 1 36 36 GLY CA C 13 44.6 0.03 . 1 . . . . . . . . 5090 1 141 . 1 1 37 37 GLY H H 1 8.806 0.01 . 1 . . . . . . . . 5090 1 142 . 1 1 37 37 GLY N N 15 107.404 0.05 . 1 . . . . . . . . 5090 1 143 . 1 1 37 37 GLY C C 13 173.43 0.02 . 1 . . . . . . . . 5090 1 144 . 1 1 37 37 GLY CA C 13 44.49 0.03 . 1 . . . . . . . . 5090 1 145 . 1 1 38 38 VAL H H 1 8.07 0.01 . 1 . . . . . . . . 5090 1 146 . 1 1 38 38 VAL N N 15 109.81 0.05 . 1 . . . . . . . . 5090 1 147 . 1 1 38 38 VAL C C 13 174.53 0.02 . 1 . . . . . . . . 5090 1 148 . 1 1 38 38 VAL CA C 13 60.37 0.03 . 1 . . . . . . . . 5090 1 149 . 1 1 38 38 VAL CB C 13 33.51 0.06 . 1 . . . . . . . . 5090 1 150 . 1 1 39 39 ARG H H 1 9.39 0.01 . 1 . . . . . . . . 5090 1 151 . 1 1 39 39 ARG N N 15 119.216 0.05 . 1 . . . . . . . . 5090 1 152 . 1 1 39 39 ARG C C 13 176.13 0.02 . 1 . . . . . . . . 5090 1 153 . 1 1 39 39 ARG CA C 13 55.18 0.03 . 1 . . . . . . . . 5090 1 154 . 1 1 39 39 ARG CB C 13 28.86 0.06 . 1 . . . . . . . . 5090 1 155 . 1 1 40 40 LEU H H 1 8.076 0.01 . 1 . . . . . . . . 5090 1 156 . 1 1 40 40 LEU N N 15 125.343 0.05 . 1 . . . . . . . . 5090 1 157 . 1 1 40 40 LEU C C 13 177.49 0.02 . 1 . . . . . . . . 5090 1 158 . 1 1 40 40 LEU CA C 13 54.28 0.03 . 1 . . . . . . . . 5090 1 159 . 1 1 40 40 LEU CB C 13 47.81 0.06 . 1 . . . . . . . . 5090 1 160 . 1 1 41 41 GLY H H 1 8.598 0.01 . 1 . . . . . . . . 5090 1 161 . 1 1 41 41 GLY N N 15 106.102 0.05 . 1 . . . . . . . . 5090 1 162 . 1 1 41 41 GLY C C 13 169.9 0.02 . 1 . . . . . . . . 5090 1 163 . 1 1 41 41 GLY CA C 13 45.25 0.03 . 1 . . . . . . . . 5090 1 164 . 1 1 42 42 ARG H H 1 8.542 0.01 . 1 . . . . . . . . 5090 1 165 . 1 1 42 42 ARG N N 15 120.31 0.05 . 1 . . . . . . . . 5090 1 166 . 1 1 42 42 ARG C C 13 176.41 0.02 . 1 . . . . . . . . 5090 1 167 . 1 1 42 42 ARG CA C 13 55.53 0.03 . 1 . . . . . . . . 5090 1 168 . 1 1 42 42 ARG CB C 13 32.18 0.06 . 1 . . . . . . . . 5090 1 169 . 1 1 43 43 THR H H 1 8.083 0.01 . 1 . . . . . . . . 5090 1 170 . 1 1 43 43 THR N N 15 114.783 0.05 . 1 . . . . . . . . 5090 1 171 . 1 1 43 43 THR C C 13 173.67 0.02 . 1 . . . . . . . . 5090 1 172 . 1 1 43 43 THR CA C 13 60.12 0.03 . 1 . . . . . . . . 5090 1 173 . 1 1 43 43 THR CB C 13 73.08 0.06 . 1 . . . . . . . . 5090 1 174 . 1 1 44 44 GLY H H 1 9.074 0.01 . 1 . . . . . . . . 5090 1 175 . 1 1 44 44 GLY N N 15 107.185 0.05 . 1 . . . . . . . . 5090 1 176 . 1 1 44 44 GLY C C 13 175.39 0.02 . 1 . . . . . . . . 5090 1 177 . 1 1 44 44 GLY CA C 13 47.19 0.03 . 1 . . . . . . . . 5090 1 178 . 1 1 45 45 ASP H H 1 8.808 0.01 . 1 . . . . . . . . 5090 1 179 . 1 1 45 45 ASP N N 15 126.09 0.05 . 1 . . . . . . . . 5090 1 180 . 1 1 45 45 ASP C C 13 177.12 0.02 . 1 . . . . . . . . 5090 1 181 . 1 1 45 45 ASP CA C 13 53.51 0.03 . 1 . . . . . . . . 5090 1 182 . 1 1 45 45 ASP CB C 13 41.66 0.06 . 1 . . . . . . . . 5090 1 183 . 1 1 46 46 LEU H H 1 8.144 0.01 . 1 . . . . . . . . 5090 1 184 . 1 1 46 46 LEU N N 15 122.29 0.05 . 1 . . . . . . . . 5090 1 185 . 1 1 46 46 LEU C C 13 178.44 0.02 . 1 . . . . . . . . 5090 1 186 . 1 1 46 46 LEU CA C 13 56.07 0.03 . 1 . . . . . . . . 5090 1 187 . 1 1 46 46 LEU CB C 13 41.09 0.06 . 1 . . . . . . . . 5090 1 188 . 1 1 47 47 THR C C 13 173.68 0.02 . 1 . . . . . . . . 5090 1 189 . 1 1 47 47 THR CA C 13 62.62 0.03 . 1 . . . . . . . . 5090 1 190 . 1 1 47 47 THR CB C 13 69.55 0.06 . 1 . . . . . . . . 5090 1 191 . 1 1 48 48 CYS H H 1 7.815 0.01 . 9 . . . . . . . . 5090 1 192 . 1 1 48 48 CYS N N 15 123.372 0.05 . 9 . . . . . . . . 5090 1 193 . 1 1 48 48 CYS C C 13 172.55 0.02 . 9 . . . . . . . . 5090 1 194 . 1 1 48 48 CYS CA C 13 51.05 0.03 . 9 . . . . . . . . 5090 1 195 . 1 1 48 48 CYS CB C 13 42.23 0.06 . 9 . . . . . . . . 5090 1 196 . 1 1 49 49 PRO C C 13 172.05 0.02 . 1 . . . . . . . . 5090 1 197 . 1 1 49 49 PRO CA C 13 62.33 0.03 . 1 . . . . . . . . 5090 1 198 . 1 1 49 49 PRO CB C 13 28.49 0.06 . 1 . . . . . . . . 5090 1 199 . 1 1 50 50 VAL H H 1 7.893 0.01 . 1 . . . . . . . . 5090 1 200 . 1 1 50 50 VAL N N 15 113.31 0.05 . 1 . . . . . . . . 5090 1 201 . 1 1 50 50 VAL C C 13 175.11 0.02 . 1 . . . . . . . . 5090 1 202 . 1 1 50 50 VAL CA C 13 60.34 0.03 . 1 . . . . . . . . 5090 1 203 . 1 1 50 50 VAL CB C 13 32.9 0.06 . 1 . . . . . . . . 5090 1 204 . 1 1 51 51 THR H H 1 8.334 0.01 . 1 . . . . . . . . 5090 1 205 . 1 1 51 51 THR N N 15 119.946 0.05 . 1 . . . . . . . . 5090 1 206 . 1 1 51 51 THR C C 13 173.43 0.02 . 1 . . . . . . . . 5090 1 207 . 1 1 51 51 THR CA C 13 64.56 0.03 . 1 . . . . . . . . 5090 1 208 . 1 1 51 51 THR CB C 13 68.21 0.06 . 1 . . . . . . . . 5090 1 209 . 1 1 52 52 VAL H H 1 8.149 0.01 . 1 . . . . . . . . 5090 1 210 . 1 1 52 52 VAL N N 15 127.747 0.05 . 1 . . . . . . . . 5090 1 211 . 1 1 52 52 VAL C C 13 174.61 0.02 . 1 . . . . . . . . 5090 1 212 . 1 1 52 52 VAL CA C 13 64.04 0.03 . 1 . . . . . . . . 5090 1 213 . 1 1 52 52 VAL CB C 13 30.7 0.06 . 1 . . . . . . . . 5090 1 214 . 1 1 53 53 LEU H H 1 7.434 0.01 . 1 . . . . . . . . 5090 1 215 . 1 1 53 53 LEU N N 15 125.341 0.05 . 1 . . . . . . . . 5090 1 216 . 1 1 53 53 LEU C C 13 175.68 0.02 . 1 . . . . . . . . 5090 1 217 . 1 1 53 53 LEU CA C 13 51.72 0.03 . 1 . . . . . . . . 5090 1 218 . 1 1 53 53 LEU CB C 13 47.43 0.06 . 1 . . . . . . . . 5090 1 219 . 1 1 54 54 GLN H H 1 9.945 0.01 . 1 . . . . . . . . 5090 1 220 . 1 1 54 54 GLN N N 15 123.712 0.05 . 1 . . . . . . . . 5090 1 221 . 1 1 54 54 GLN C C 13 175.85 0.02 . 1 . . . . . . . . 5090 1 222 . 1 1 54 54 GLN CA C 13 55.06 0.03 . 1 . . . . . . . . 5090 1 223 . 1 1 54 54 GLN CB C 13 26.57 0.06 . 1 . . . . . . . . 5090 1 224 . 1 1 55 55 ASP H H 1 9.239 0.01 . 1 . . . . . . . . 5090 1 225 . 1 1 55 55 ASP N N 15 130.558 0.05 . 1 . . . . . . . . 5090 1 226 . 1 1 55 55 ASP C C 13 176.75 0.02 . 1 . . . . . . . . 5090 1 227 . 1 1 55 55 ASP CA C 13 55.64 0.03 . 1 . . . . . . . . 5090 1 228 . 1 1 55 55 ASP CB C 13 45.31 0.06 . 1 . . . . . . . . 5090 1 229 . 1 1 56 56 ARG H H 1 9.175 0.01 . 1 . . . . . . . . 5090 1 230 . 1 1 56 56 ARG N N 15 122.889 0.05 . 1 . . . . . . . . 5090 1 231 . 1 1 56 56 ARG C C 13 177.45 0.02 . 1 . . . . . . . . 5090 1 232 . 1 1 56 56 ARG CA C 13 58.08 0.03 . 1 . . . . . . . . 5090 1 233 . 1 1 56 56 ARG CB C 13 30.45 0.06 . 1 . . . . . . . . 5090 1 234 . 1 1 57 57 GLN H H 1 9.756 0.01 . 1 . . . . . . . . 5090 1 235 . 1 1 57 57 GLN N N 15 120.779 0.05 . 1 . . . . . . . . 5090 1 236 . 1 1 57 57 GLN C C 13 175.94 0.02 . 1 . . . . . . . . 5090 1 237 . 1 1 57 57 GLN CA C 13 55.73 0.03 . 1 . . . . . . . . 5090 1 238 . 1 1 57 57 GLN CB C 13 30.58 0.06 . 1 . . . . . . . . 5090 1 239 . 1 1 58 58 GLU H H 1 8.886 0.01 . 1 . . . . . . . . 5090 1 240 . 1 1 58 58 GLU N N 15 123.462 0.05 . 1 . . . . . . . . 5090 1 241 . 1 1 58 58 GLU C C 13 176.02 0.02 . 1 . . . . . . . . 5090 1 242 . 1 1 58 58 GLU CA C 13 58.63 0.03 . 1 . . . . . . . . 5090 1 243 . 1 1 58 58 GLU CB C 13 29.63 0.06 . 1 . . . . . . . . 5090 1 244 . 1 1 59 59 VAL H H 1 6.976 0.01 . 1 . . . . . . . . 5090 1 245 . 1 1 59 59 VAL N N 15 108.642 0.05 . 1 . . . . . . . . 5090 1 246 . 1 1 59 59 VAL C C 13 175.62 0.02 . 1 . . . . . . . . 5090 1 247 . 1 1 59 59 VAL CA C 13 61.96 0.03 . 1 . . . . . . . . 5090 1 248 . 1 1 59 59 VAL CB C 13 31.66 0.06 . 1 . . . . . . . . 5090 1 249 . 1 1 60 60 LYS H H 1 7.516 0.01 . 1 . . . . . . . . 5090 1 250 . 1 1 60 60 LYS N N 15 121.564 0.05 . 1 . . . . . . . . 5090 1 251 . 1 1 60 60 LYS C C 13 175.51 0.02 . 1 . . . . . . . . 5090 1 252 . 1 1 60 60 LYS CA C 13 54.4 0.03 . 1 . . . . . . . . 5090 1 253 . 1 1 60 60 LYS CB C 13 31.16 0.06 . 1 . . . . . . . . 5090 1 254 . 1 1 61 61 TYR H H 1 8.449 0.01 . 1 . . . . . . . . 5090 1 255 . 1 1 61 61 TYR N N 15 123.933 0.05 . 1 . . . . . . . . 5090 1 256 . 1 1 61 61 TYR C C 13 175.44 0.02 . 1 . . . . . . . . 5090 1 257 . 1 1 61 61 TYR CA C 13 58 0.03 . 1 . . . . . . . . 5090 1 258 . 1 1 61 61 TYR CB C 13 36.35 0.06 . 1 . . . . . . . . 5090 1 259 . 1 1 62 62 GLY H H 1 8.103 0.01 . 1 . . . . . . . . 5090 1 260 . 1 1 62 62 GLY N N 15 105.612 0.05 . 1 . . . . . . . . 5090 1 261 . 1 1 62 62 GLY C C 13 173.17 0.02 . 1 . . . . . . . . 5090 1 262 . 1 1 62 62 GLY CA C 13 44.52 0.03 . 1 . . . . . . . . 5090 1 263 . 1 1 63 63 LEU H H 1 9.824 0.01 . 1 . . . . . . . . 5090 1 264 . 1 1 63 63 LEU N N 15 124.466 0.05 . 1 . . . . . . . . 5090 1 265 . 1 1 63 63 LEU C C 13 174.26 0.02 . 1 . . . . . . . . 5090 1 266 . 1 1 63 63 LEU CA C 13 51.43 0.03 . 1 . . . . . . . . 5090 1 267 . 1 1 63 63 LEU CB C 13 44.78 0.06 . 1 . . . . . . . . 5090 1 268 . 1 1 64 64 PRO C C 13 177.10 0.02 . 1 . . . . . . . . 5090 1 269 . 1 1 64 64 PRO CA C 13 61.75 0.03 . 1 . . . . . . . . 5090 1 270 . 1 1 64 64 PRO CB C 13 33 0.06 . 1 . . . . . . . . 5090 1 271 . 1 1 65 65 VAL H H 1 9.569 0.01 . 1 . . . . . . . . 5090 1 272 . 1 1 65 65 VAL N N 15 115.834 0.05 . 1 . . . . . . . . 5090 1 273 . 1 1 65 65 VAL C C 13 174.86 0.02 . 1 . . . . . . . . 5090 1 274 . 1 1 65 65 VAL CA C 13 58.39 0.03 . 1 . . . . . . . . 5090 1 275 . 1 1 65 65 VAL CB C 13 35.24 0.06 . 1 . . . . . . . . 5090 1 276 . 1 1 66 66 LYS H H 1 8.552 0.01 . 1 . . . . . . . . 5090 1 277 . 1 1 66 66 LYS N N 15 115.716 0.05 . 1 . . . . . . . . 5090 1 278 . 1 1 66 66 LYS C C 13 173.96 0.02 . 1 . . . . . . . . 5090 1 279 . 1 1 66 66 LYS CA C 13 54.83 0.03 . 1 . . . . . . . . 5090 1 280 . 1 1 66 66 LYS CB C 13 36.82 0.06 . 1 . . . . . . . . 5090 1 281 . 1 1 67 67 PHE H H 1 9.452 0.01 . 1 . . . . . . . . 5090 1 282 . 1 1 67 67 PHE N N 15 120.31 0.05 . 1 . . . . . . . . 5090 1 283 . 1 1 67 67 PHE C C 13 176.117 0.02 . 1 . . . . . . . . 5090 1 284 . 1 1 67 67 PHE CA C 13 56.23 0.03 . 1 . . . . . . . . 5090 1 285 . 1 1 67 67 PHE CB C 13 41.58 0.06 . 1 . . . . . . . . 5090 1 286 . 1 1 68 68 VAL H H 1 8.88 0.01 . 1 . . . . . . . . 5090 1 287 . 1 1 68 68 VAL N N 15 122.657 0.05 . 1 . . . . . . . . 5090 1 288 . 1 1 68 68 VAL C C 13 175.21 0.02 . 1 . . . . . . . . 5090 1 289 . 1 1 68 68 VAL CA C 13 61.41 0.03 . 1 . . . . . . . . 5090 1 290 . 1 1 68 68 VAL CB C 13 36.36 0.06 . 1 . . . . . . . . 5090 1 291 . 1 1 69 69 ILE H H 1 8.608 0.01 . 1 . . . . . . . . 5090 1 292 . 1 1 69 69 ILE N N 15 126.318 0.05 . 1 . . . . . . . . 5090 1 293 . 1 1 69 69 ILE C C 13 175.48 0.02 . 1 . . . . . . . . 5090 1 294 . 1 1 69 69 ILE CA C 13 58.5 0.03 . 1 . . . . . . . . 5090 1 295 . 1 1 69 69 ILE CB C 13 39.33 0.06 . 1 . . . . . . . . 5090 1 296 . 1 1 75 75 GLY C C 13 171.99 0.02 . 1 . . . . . . . . 5090 1 297 . 1 1 75 75 GLY CA C 13 46.22 0.03 . 1 . . . . . . . . 5090 1 298 . 1 1 76 76 ILE H H 1 7.074 0.01 . 1 . . . . . . . . 5090 1 299 . 1 1 76 76 ILE N N 15 118.122 0.05 . 1 . . . . . . . . 5090 1 300 . 1 1 76 76 ILE C C 13 173.77 0.02 . 1 . . . . . . . . 5090 1 301 . 1 1 76 76 ILE CA C 13 59.79 0.03 . 1 . . . . . . . . 5090 1 302 . 1 1 76 76 ILE CB C 13 42.22 0.06 . 1 . . . . . . . . 5090 1 303 . 1 1 77 77 ILE H H 1 8.06 0.01 . 1 . . . . . . . . 5090 1 304 . 1 1 77 77 ILE N N 15 123.153 0.05 . 1 . . . . . . . . 5090 1 305 . 1 1 77 77 ILE C C 13 174.53 0.02 . 1 . . . . . . . . 5090 1 306 . 1 1 77 77 ILE CA C 13 62.06 0.03 . 1 . . . . . . . . 5090 1 307 . 1 1 77 77 ILE CB C 13 37.29 0.06 . 1 . . . . . . . . 5090 1 308 . 1 1 78 78 PHE H H 1 7.892 0.01 . 1 . . . . . . . . 5090 1 309 . 1 1 78 78 PHE N N 15 126.872 0.05 . 1 . . . . . . . . 5090 1 310 . 1 1 78 78 PHE C C 13 177.55 0.02 . 1 . . . . . . . . 5090 1 311 . 1 1 78 78 PHE CA C 13 56.77 0.03 . 1 . . . . . . . . 5090 1 312 . 1 1 78 78 PHE CB C 13 41.83 0.06 . 1 . . . . . . . . 5090 1 313 . 1 1 79 79 THR H H 1 9.214 0.01 . 1 . . . . . . . . 5090 1 314 . 1 1 79 79 THR N N 15 114.344 0.05 . 1 . . . . . . . . 5090 1 315 . 1 1 79 79 THR C C 13 176.56 0.02 . 1 . . . . . . . . 5090 1 316 . 1 1 79 79 THR CA C 13 62.05 0.03 . 1 . . . . . . . . 5090 1 317 . 1 1 79 79 THR CB C 13 69.01 0.06 . 1 . . . . . . . . 5090 1 318 . 1 1 80 80 GLY H H 1 8.878 0.01 . 1 . . . . . . . . 5090 1 319 . 1 1 80 80 GLY N N 15 110.839 0.05 . 1 . . . . . . . . 5090 1 320 . 1 1 80 80 GLY C C 13 174.3 0.02 . 1 . . . . . . . . 5090 1 321 . 1 1 80 80 GLY CA C 13 46.15 0.03 . 1 . . . . . . . . 5090 1 322 . 1 1 81 81 THR H H 1 7.81 0.01 . 1 . . . . . . . . 5090 1 323 . 1 1 81 81 THR N N 15 121.185 0.05 . 1 . . . . . . . . 5090 1 324 . 1 1 81 81 THR C C 13 172.04 0.02 . 1 . . . . . . . . 5090 1 325 . 1 1 81 81 THR CA C 13 62.55 0.03 . 1 . . . . . . . . 5090 1 326 . 1 1 81 81 THR CB C 13 71.02 0.06 . 1 . . . . . . . . 5090 1 327 . 1 1 82 82 PRO C C 13 176.55 0.02 . 1 . . . . . . . . 5090 1 328 . 1 1 82 82 PRO CA C 13 63.25 0.03 . 1 . . . . . . . . 5090 1 329 . 1 1 82 82 PRO CB C 13 33.23 0.06 . 1 . . . . . . . . 5090 1 330 . 1 1 83 83 ILE H H 1 8.854 0.01 . 1 . . . . . . . . 5090 1 331 . 1 1 83 83 ILE N N 15 117.196 0.05 . 1 . . . . . . . . 5090 1 332 . 1 1 83 83 ILE C C 13 175.23 0.02 . 1 . . . . . . . . 5090 1 333 . 1 1 83 83 ILE CA C 13 59.76 0.03 . 1 . . . . . . . . 5090 1 334 . 1 1 83 83 ILE CB C 13 43.96 0.06 . 1 . . . . . . . . 5090 1 335 . 1 1 84 84 GLU H H 1 9.008 0.01 . 1 . . . . . . . . 5090 1 336 . 1 1 84 84 GLU N N 15 117.549 0.05 . 1 . . . . . . . . 5090 1 337 . 1 1 84 84 GLU C C 13 175.4 0.02 . 1 . . . . . . . . 5090 1 338 . 1 1 84 84 GLU CA C 13 54.73 0.03 . 1 . . . . . . . . 5090 1 339 . 1 1 84 84 GLU CB C 13 32.35 0.06 . 1 . . . . . . . . 5090 1 340 . 1 1 85 85 ILE H H 1 8.644 0.01 . 1 . . . . . . . . 5090 1 341 . 1 1 85 85 ILE N N 15 121.082 0.05 . 1 . . . . . . . . 5090 1 342 . 1 1 85 85 ILE C C 13 173.77 0.02 . 1 . . . . . . . . 5090 1 343 . 1 1 85 85 ILE CA C 13 60.78 0.03 . 1 . . . . . . . . 5090 1 344 . 1 1 85 85 ILE CB C 13 40.2 0.06 . 1 . . . . . . . . 5090 1 345 . 1 1 86 86 GLU H H 1 8.362 0.01 . 1 . . . . . . . . 5090 1 346 . 1 1 86 86 GLU N N 15 122.06 0.05 . 1 . . . . . . . . 5090 1 347 . 1 1 86 86 GLU C C 13 176.8 0.02 . 1 . . . . . . . . 5090 1 348 . 1 1 86 86 GLU CA C 13 53.55 0.03 . 1 . . . . . . . . 5090 1 349 . 1 1 86 86 GLU CB C 13 33.67 0.06 . 1 . . . . . . . . 5090 1 350 . 1 1 87 87 TYR H H 1 8.213 0.01 . 1 . . . . . . . . 5090 1 351 . 1 1 87 87 TYR N N 15 118.651 0.05 . 1 . . . . . . . . 5090 1 352 . 1 1 87 87 TYR C C 13 178.04 0.02 . 1 . . . . . . . . 5090 1 353 . 1 1 87 87 TYR CA C 13 57.91 0.03 . 1 . . . . . . . . 5090 1 354 . 1 1 87 87 TYR CB C 13 40.86 0.06 . 1 . . . . . . . . 5090 1 355 . 1 1 88 88 ALA H H 1 8.859 0.01 . 1 . . . . . . . . 5090 1 356 . 1 1 88 88 ALA N N 15 122.193 0.05 . 1 . . . . . . . . 5090 1 357 . 1 1 88 88 ALA C C 13 176.44 0.02 . 1 . . . . . . . . 5090 1 358 . 1 1 88 88 ALA CA C 13 53.94 0.03 . 1 . . . . . . . . 5090 1 359 . 1 1 88 88 ALA CB C 13 19.77 0.06 . 1 . . . . . . . . 5090 1 360 . 1 1 89 89 LYS H H 1 7.547 0.01 . 1 . . . . . . . . 5090 1 361 . 1 1 89 89 LYS N N 15 115.247 0.05 . 1 . . . . . . . . 5090 1 362 . 1 1 89 89 LYS C C 13 173.39 0.02 . 1 . . . . . . . . 5090 1 363 . 1 1 89 89 LYS CA C 13 54.88 0.03 . 1 . . . . . . . . 5090 1 364 . 1 1 89 89 LYS CB C 13 36.35 0.06 . 1 . . . . . . . . 5090 1 365 . 1 1 90 90 LYS H H 1 8.287 0.01 . 1 . . . . . . . . 5090 1 366 . 1 1 90 90 LYS N N 15 116.81 0.05 . 1 . . . . . . . . 5090 1 367 . 1 1 90 90 LYS CA C 13 53.2 0.03 . 1 . . . . . . . . 5090 1 368 . 1 1 90 90 LYS CB C 13 33.96 0.06 . 1 . . . . . . . . 5090 1 369 . 1 1 93 93 CYS C C 13 174.37 0.02 . 1 . . . . . . . . 5090 1 370 . 1 1 93 93 CYS CA C 13 55.68 0.03 . 1 . . . . . . . . 5090 1 371 . 1 1 93 93 CYS CB C 13 40.84 0.06 . 1 . . . . . . . . 5090 1 372 . 1 1 94 94 ALA H H 1 7.722 0.01 . 1 . . . . . . . . 5090 1 373 . 1 1 94 94 ALA N N 15 125.997 0.05 . 1 . . . . . . . . 5090 1 374 . 1 1 94 94 ALA C C 13 177.23 0.02 . 1 . . . . . . . . 5090 1 375 . 1 1 94 94 ALA CA C 13 51.26 0.03 . 1 . . . . . . . . 5090 1 376 . 1 1 94 94 ALA CB C 13 20.17 0.06 . 1 . . . . . . . . 5090 1 377 . 1 1 95 95 LYS H H 1 9.147 0.01 . 1 . . . . . . . . 5090 1 378 . 1 1 95 95 LYS N N 15 121.214 0.05 . 1 . . . . . . . . 5090 1 379 . 1 1 95 95 LYS C C 13 176.32 0.02 . 1 . . . . . . . . 5090 1 380 . 1 1 95 95 LYS CA C 13 57.38 0.03 . 1 . . . . . . . . 5090 1 381 . 1 1 95 95 LYS CB C 13 32.54 0.06 . 1 . . . . . . . . 5090 1 382 . 1 1 96 96 SER H H 1 7.149 0.01 . 1 . . . . . . . . 5090 1 383 . 1 1 96 96 SER N N 15 107.77 0.05 . 1 . . . . . . . . 5090 1 384 . 1 1 96 96 SER C C 13 173.93 0.02 . 1 . . . . . . . . 5090 1 385 . 1 1 96 96 SER CA C 13 56.43 0.03 . 1 . . . . . . . . 5090 1 386 . 1 1 96 96 SER CB C 13 65.59 0.06 . 1 . . . . . . . . 5090 1 387 . 1 1 97 97 SER C C 13 173.68 0.02 . 1 . . . . . . . . 5090 1 388 . 1 1 97 97 SER CA C 13 58.52 0.03 . 1 . . . . . . . . 5090 1 389 . 1 1 97 97 SER CB C 13 64.52 0.06 . 1 . . . . . . . . 5090 1 390 . 1 1 98 98 LYS H H 1 8.235 0.01 . 1 . . . . . . . . 5090 1 391 . 1 1 98 98 LYS N N 15 123.81 0.05 . 1 . . . . . . . . 5090 1 392 . 1 1 98 98 LYS C C 13 177.26 0.02 . 1 . . . . . . . . 5090 1 393 . 1 1 98 98 LYS CA C 13 57.38 0.03 . 1 . . . . . . . . 5090 1 394 . 1 1 98 98 LYS CB C 13 33.28 0.06 . 1 . . . . . . . . 5090 1 395 . 1 1 99 99 TRP H H 1 9.864 0.01 . 1 . . . . . . . . 5090 1 396 . 1 1 99 99 TRP N N 15 126.334 0.05 . 1 . . . . . . . . 5090 1 397 . 1 1 99 99 TRP C C 13 176.26 0.02 . 1 . . . . . . . . 5090 1 398 . 1 1 99 99 TRP CA C 13 57.54 0.03 . 1 . . . . . . . . 5090 1 399 . 1 1 99 99 TRP CB C 13 31.71 0.06 . 1 . . . . . . . . 5090 1 400 . 1 1 100 100 LEU H H 1 10.199 0.01 . 1 . . . . . . . . 5090 1 401 . 1 1 100 100 LEU N N 15 123.347 0.05 . 1 . . . . . . . . 5090 1 402 . 1 1 100 100 LEU C C 13 174.73 0.02 . 1 . . . . . . . . 5090 1 403 . 1 1 100 100 LEU CA C 13 53.94 0.03 . 1 . . . . . . . . 5090 1 404 . 1 1 100 100 LEU CB C 13 44.35 0.06 . 1 . . . . . . . . 5090 1 405 . 1 1 101 101 VAL H H 1 7.546 0.01 . 1 . . . . . . . . 5090 1 406 . 1 1 101 101 VAL N N 15 118.341 0.05 . 1 . . . . . . . . 5090 1 407 . 1 1 101 101 VAL C C 13 173.72 0.02 . 1 . . . . . . . . 5090 1 408 . 1 1 101 101 VAL CA C 13 60.44 0.03 . 1 . . . . . . . . 5090 1 409 . 1 1 101 101 VAL CB C 13 35.15 0.06 . 1 . . . . . . . . 5090 1 410 . 1 1 102 102 PHE H H 1 9.469 0.01 . 1 . . . . . . . . 5090 1 411 . 1 1 102 102 PHE N N 15 125.341 0.05 . 1 . . . . . . . . 5090 1 412 . 1 1 102 102 PHE C C 13 172.74 0.02 . 1 . . . . . . . . 5090 1 413 . 1 1 102 102 PHE CA C 13 54.14 0.03 . 1 . . . . . . . . 5090 1 414 . 1 1 102 102 PHE CB C 13 42.91 0.06 . 1 . . . . . . . . 5090 1 415 . 1 1 103 103 VAL H H 1 8.588 0.01 . 1 . . . . . . . . 5090 1 416 . 1 1 103 103 VAL N N 15 122.278 0.05 . 1 . . . . . . . . 5090 1 417 . 1 1 103 103 VAL C C 13 174.34 0.02 . 1 . . . . . . . . 5090 1 418 . 1 1 103 103 VAL CA C 13 63.14 0.03 . 1 . . . . . . . . 5090 1 419 . 1 1 103 103 VAL CB C 13 31.76 0.06 . 1 . . . . . . . . 5090 1 420 . 1 1 104 104 ASP H H 1 8.286 0.01 . 1 . . . . . . . . 5090 1 421 . 1 1 104 104 ASP N N 15 127.966 0.05 . 1 . . . . . . . . 5090 1 422 . 1 1 104 104 ASP C C 13 177.04 0.02 . 1 . . . . . . . . 5090 1 423 . 1 1 104 104 ASP CA C 13 53.55 0.03 . 1 . . . . . . . . 5090 1 424 . 1 1 104 104 ASP CB C 13 43.59 0.06 . 1 . . . . . . . . 5090 1 425 . 1 1 105 105 ASN H H 1 8.881 0.01 . 1 . . . . . . . . 5090 1 426 . 1 1 105 105 ASN N N 15 124.004 0.05 . 1 . . . . . . . . 5090 1 427 . 1 1 105 105 ASN C C 13 175.96 0.02 . 1 . . . . . . . . 5090 1 428 . 1 1 105 105 ASN CA C 13 55.14 0.03 . 1 . . . . . . . . 5090 1 429 . 1 1 105 105 ASN CB C 13 39.35 0.06 . 1 . . . . . . . . 5090 1 430 . 1 1 106 106 VAL H H 1 8.662 0.01 . 1 . . . . . . . . 5090 1 431 . 1 1 106 106 VAL N N 15 121.544 0.05 . 1 . . . . . . . . 5090 1 432 . 1 1 106 106 VAL C C 13 178.18 0.02 . 1 . . . . . . . . 5090 1 433 . 1 1 106 106 VAL CA C 13 66.08 0.03 . 1 . . . . . . . . 5090 1 434 . 1 1 106 106 VAL CB C 13 32.18 0.06 . 1 . . . . . . . . 5090 1 435 . 1 1 107 107 ILE H H 1 7.031 0.01 . 1 . . . . . . . . 5090 1 436 . 1 1 107 107 ILE N N 15 108.217 0.05 . 1 . . . . . . . . 5090 1 437 . 1 1 107 107 ILE C C 13 175.14 0.02 . 1 . . . . . . . . 5090 1 438 . 1 1 107 107 ILE CA C 13 60.81 0.03 . 1 . . . . . . . . 5090 1 439 . 1 1 107 107 ILE CB C 13 38.85 0.06 . 1 . . . . . . . . 5090 1 440 . 1 1 108 108 GLN H H 1 7.862 0.01 . 1 . . . . . . . . 5090 1 441 . 1 1 108 108 GLN N N 15 118.315 0.05 . 1 . . . . . . . . 5090 1 442 . 1 1 108 108 GLN C C 13 175.3 0.02 . 1 . . . . . . . . 5090 1 443 . 1 1 108 108 GLN CA C 13 56.74 0.03 . 1 . . . . . . . . 5090 1 444 . 1 1 108 108 GLN CB C 13 25.66 0.06 . 1 . . . . . . . . 5090 1 445 . 1 1 109 109 LYS H H 1 7.163 0.01 . 1 . . . . . . . . 5090 1 446 . 1 1 109 109 LYS N N 15 113.809 0.05 . 1 . . . . . . . . 5090 1 447 . 1 1 109 109 LYS C C 13 174.13 0.02 . 1 . . . . . . . . 5090 1 448 . 1 1 109 109 LYS CA C 13 53.69 0.03 . 1 . . . . . . . . 5090 1 449 . 1 1 109 109 LYS CB C 13 37.28 0.06 . 1 . . . . . . . . 5090 1 450 . 1 1 111 111 CYS H H 1 8.727 0.01 . 1 . . . . . . . . 5090 1 451 . 1 1 111 111 CYS N N 15 120.54 0.05 . 1 . . . . . . . . 5090 1 452 . 1 1 111 111 CYS C C 13 171.78 0.02 . 1 . . . . . . . . 5090 1 453 . 1 1 111 111 CYS CA C 13 57.15 0.03 . 1 . . . . . . . . 5090 1 454 . 1 1 111 111 CYS CB C 13 31.71 0.06 . 1 . . . . . . . . 5090 1 455 . 1 1 112 112 VAL H H 1 8.417 0.01 . 1 . . . . . . . . 5090 1 456 . 1 1 112 112 VAL N N 15 120.966 0.05 . 1 . . . . . . . . 5090 1 457 . 1 1 112 112 VAL C C 13 176.67 0.02 . 1 . . . . . . . . 5090 1 458 . 1 1 112 112 VAL CA C 13 62.55 0.03 . 1 . . . . . . . . 5090 1 459 . 1 1 112 112 VAL CB C 13 32.39 0.06 . 1 . . . . . . . . 5090 1 460 . 1 1 113 113 GLY H H 1 8.82 0.01 . 1 . . . . . . . . 5090 1 461 . 1 1 113 113 GLY N N 15 116.709 0.05 . 1 . . . . . . . . 5090 1 462 . 1 1 113 113 GLY C C 13 172.07 0.02 . 1 . . . . . . . . 5090 1 463 . 1 1 113 113 GLY CA C 13 44.98 0.03 . 1 . . . . . . . . 5090 1 464 . 1 1 114 114 ILE H H 1 9.181 0.01 . 1 . . . . . . . . 5090 1 465 . 1 1 114 114 ILE N N 15 110.904 0.05 . 1 . . . . . . . . 5090 1 466 . 1 1 114 114 ILE C C 13 177.31 0.02 . 1 . . . . . . . . 5090 1 467 . 1 1 114 114 ILE CA C 13 60.07 0.03 . 1 . . . . . . . . 5090 1 468 . 1 1 114 114 ILE CB C 13 40.93 0.06 . 1 . . . . . . . . 5090 1 469 . 1 1 115 115 GLY H H 1 7.509 0.01 . 1 . . . . . . . . 5090 1 470 . 1 1 115 115 GLY N N 15 103.254 0.05 . 1 . . . . . . . . 5090 1 471 . 1 1 115 115 GLY C C 13 173 0.02 . 1 . . . . . . . . 5090 1 472 . 1 1 115 115 GLY CA C 13 45.69 0.03 . 1 . . . . . . . . 5090 1 473 . 1 1 116 116 GLY H H 1 8.499 0.01 . 1 . . . . . . . . 5090 1 474 . 1 1 116 116 GLY N N 15 109.591 0.05 . 1 . . . . . . . . 5090 1 475 . 1 1 116 116 GLY C C 13 171.69 0.02 . 1 . . . . . . . . 5090 1 476 . 1 1 116 116 GLY CA C 13 44.1 0.03 . 1 . . . . . . . . 5090 1 477 . 1 1 118 118 GLU C C 13 178.14 0.02 . 1 . . . . . . . . 5090 1 478 . 1 1 118 118 GLU CA C 13 59.17 0.03 . 1 . . . . . . . . 5090 1 479 . 1 1 118 118 GLU CB C 13 29.3 0.06 . 1 . . . . . . . . 5090 1 480 . 1 1 119 119 ASN H H 1 8.649 0.01 . 1 . . . . . . . . 5090 1 481 . 1 1 119 119 ASN N N 15 114.603 0.05 . 1 . . . . . . . . 5090 1 482 . 1 1 119 119 ASN C C 13 172.08 0.02 . 1 . . . . . . . . 5090 1 483 . 1 1 119 119 ASN CA C 13 55.49 0.03 . 1 . . . . . . . . 5090 1 484 . 1 1 119 119 ASN CB C 13 42 0.06 . 1 . . . . . . . . 5090 1 485 . 1 1 120 120 TYR H H 1 7.505 0.01 . 1 . . . . . . . . 5090 1 486 . 1 1 120 120 TYR N N 15 116.591 0.05 . 1 . . . . . . . . 5090 1 487 . 1 1 120 120 TYR C C 13 172.5 0.02 . 1 . . . . . . . . 5090 1 488 . 1 1 120 120 TYR CA C 13 55.32 0.03 . 1 . . . . . . . . 5090 1 489 . 1 1 120 120 TYR CB C 13 40.27 0.06 . 1 . . . . . . . . 5090 1 490 . 1 1 122 122 GLY C C 13 173.80 0.02 . 1 . . . . . . . . 5090 1 491 . 1 1 122 122 GLY CA C 13 45.98 0.03 . 1 . . . . . . . . 5090 1 492 . 1 1 123 123 VAL H H 1 7.948 0.01 . 1 . . . . . . . . 5090 1 493 . 1 1 123 123 VAL N N 15 122.935 0.05 . 1 . . . . . . . . 5090 1 494 . 1 1 123 123 VAL C C 13 174.73 0.02 . 1 . . . . . . . . 5090 1 495 . 1 1 123 123 VAL CA C 13 61.25 0.03 . 1 . . . . . . . . 5090 1 496 . 1 1 123 123 VAL CB C 13 35.58 0.06 . 1 . . . . . . . . 5090 1 497 . 1 1 124 124 GLN H H 1 9.195 0.01 . 1 . . . . . . . . 5090 1 498 . 1 1 124 124 GLN N N 15 127.091 0.05 . 1 . . . . . . . . 5090 1 499 . 1 1 124 124 GLN C C 13 175.41 0.02 . 1 . . . . . . . . 5090 1 500 . 1 1 124 124 GLN CA C 13 56.22 0.03 . 1 . . . . . . . . 5090 1 501 . 1 1 124 124 GLN CB C 13 30.07 0.06 . 1 . . . . . . . . 5090 1 502 . 1 1 125 125 THR H H 1 8.253 0.01 . 1 . . . . . . . . 5090 1 503 . 1 1 125 125 THR N N 15 114.862 0.05 . 1 . . . . . . . . 5090 1 504 . 1 1 125 125 THR C C 13 174.27 0.02 . 1 . . . . . . . . 5090 1 505 . 1 1 125 125 THR CA C 13 59.96 0.03 . 1 . . . . . . . . 5090 1 506 . 1 1 125 125 THR CB C 13 71.42 0.06 . 1 . . . . . . . . 5090 1 507 . 1 1 126 126 LEU H H 1 8.896 0.01 . 1 . . . . . . . . 5090 1 508 . 1 1 126 126 LEU N N 15 121.403 0.05 . 1 . . . . . . . . 5090 1 509 . 1 1 126 126 LEU C C 13 176.76 0.02 . 1 . . . . . . . . 5090 1 510 . 1 1 126 126 LEU CA C 13 53.64 0.03 . 1 . . . . . . . . 5090 1 511 . 1 1 126 126 LEU CB C 13 44.2 0.06 . 1 . . . . . . . . 5090 1 512 . 1 1 127 127 SER H H 1 8.745 0.01 . 1 . . . . . . . . 5090 1 513 . 1 1 127 127 SER N N 15 118.341 0.05 . 1 . . . . . . . . 5090 1 514 . 1 1 127 127 SER C C 13 174.08 0.02 . 1 . . . . . . . . 5090 1 515 . 1 1 127 127 SER CA C 13 57.59 0.03 . 1 . . . . . . . . 5090 1 516 . 1 1 127 127 SER CB C 13 65.2 0.06 . 1 . . . . . . . . 5090 1 517 . 1 1 128 128 GLY H H 1 8.438 0.01 . 1 . . . . . . . . 5090 1 518 . 1 1 128 128 GLY N N 15 111.997 0.05 . 1 . . . . . . . . 5090 1 519 . 1 1 128 128 GLY C C 13 170.92 0.02 . 1 . . . . . . . . 5090 1 520 . 1 1 128 128 GLY CA C 13 46.04 0.03 . 1 . . . . . . . . 5090 1 521 . 1 1 129 129 LEU H H 1 7.015 0.01 . 1 . . . . . . . . 5090 1 522 . 1 1 129 129 LEU N N 15 118.778 0.05 . 1 . . . . . . . . 5090 1 523 . 1 1 129 129 LEU C C 13 175.4 0.02 . 1 . . . . . . . . 5090 1 524 . 1 1 129 129 LEU CA C 13 53.68 0.03 . 1 . . . . . . . . 5090 1 525 . 1 1 129 129 LEU CB C 13 46.49 0.06 . 1 . . . . . . . . 5090 1 526 . 1 1 130 130 PHE H H 1 8.568 0.01 . 1 . . . . . . . . 5090 1 527 . 1 1 130 130 PHE N N 15 118.314 0.05 . 1 . . . . . . . . 5090 1 528 . 1 1 130 130 PHE C C 13 175.01 0.02 . 1 . . . . . . . . 5090 1 529 . 1 1 130 130 PHE CA C 13 58.13 0.03 . 1 . . . . . . . . 5090 1 530 . 1 1 130 130 PHE CB C 13 43.5 0.06 . 1 . . . . . . . . 5090 1 531 . 1 1 131 131 LYS H H 1 8.596 0.01 . 1 . . . . . . . . 5090 1 532 . 1 1 131 131 LYS N N 15 113.747 0.05 . 1 . . . . . . . . 5090 1 533 . 1 1 131 131 LYS C C 13 173.39 0.02 . 1 . . . . . . . . 5090 1 534 . 1 1 131 131 LYS CA C 13 56.22 0.03 . 1 . . . . . . . . 5090 1 535 . 1 1 131 131 LYS CB C 13 36.34 0.06 . 1 . . . . . . . . 5090 1 536 . 1 1 132 132 ILE H H 1 9.713 0.01 . 1 . . . . . . . . 5090 1 537 . 1 1 132 132 ILE N N 15 122.06 0.05 . 1 . . . . . . . . 5090 1 538 . 1 1 132 132 ILE C C 13 175.8 0.02 . 1 . . . . . . . . 5090 1 539 . 1 1 132 132 ILE CA C 13 60.65 0.03 . 1 . . . . . . . . 5090 1 540 . 1 1 132 132 ILE CB C 13 40.47 0.06 . 1 . . . . . . . . 5090 1 541 . 1 1 133 133 GLU H H 1 9.079 0.01 . 1 . . . . . . . . 5090 1 542 . 1 1 133 133 GLU N N 15 123.731 0.05 . 1 . . . . . . . . 5090 1 543 . 1 1 133 133 GLU C C 13 176.36 0.02 . 1 . . . . . . . . 5090 1 544 . 1 1 133 133 GLU CA C 13 53.71 0.03 . 1 . . . . . . . . 5090 1 545 . 1 1 133 133 GLU CB C 13 34.14 0.06 . 1 . . . . . . . . 5090 1 546 . 1 1 134 134 LYS H H 1 9.452 0.01 . 1 . . . . . . . . 5090 1 547 . 1 1 134 134 LYS N N 15 121.336 0.05 . 1 . . . . . . . . 5090 1 548 . 1 1 134 134 LYS C C 13 176.63 0.02 . 1 . . . . . . . . 5090 1 549 . 1 1 134 134 LYS CA C 13 57.59 0.03 . 1 . . . . . . . . 5090 1 550 . 1 1 134 134 LYS CB C 13 32.28 0.06 . 1 . . . . . . . . 5090 1 551 . 1 1 135 135 HIS H H 1 8.377 0.01 . 1 . . . . . . . . 5090 1 552 . 1 1 135 135 HIS N N 15 124.776 0.05 . 1 . . . . . . . . 5090 1 553 . 1 1 135 135 HIS C C 13 177.75 0.02 . 1 . . . . . . . . 5090 1 554 . 1 1 135 135 HIS CA C 13 60.57 0.03 . 1 . . . . . . . . 5090 1 555 . 1 1 135 135 HIS CB C 13 31.76 0.06 . 1 . . . . . . . . 5090 1 556 . 1 1 136 136 GLU H H 1 9.394 0.01 . 1 . . . . . . . . 5090 1 557 . 1 1 136 136 GLU N N 15 128.439 0.05 . 1 . . . . . . . . 5090 1 558 . 1 1 136 136 GLU C C 13 176.99 0.02 . 1 . . . . . . . . 5090 1 559 . 1 1 136 136 GLU CA C 13 59.95 0.03 . 1 . . . . . . . . 5090 1 560 . 1 1 136 136 GLU CB C 13 28.21 0.06 . 1 . . . . . . . . 5090 1 561 . 1 1 137 137 SER H H 1 8.96 0.01 . 1 . . . . . . . . 5090 1 562 . 1 1 137 137 SER N N 15 118.356 0.05 . 1 . . . . . . . . 5090 1 563 . 1 1 137 137 SER C C 13 176.47 0.02 . 1 . . . . . . . . 5090 1 564 . 1 1 137 137 SER CA C 13 60.95 0.03 . 1 . . . . . . . . 5090 1 565 . 1 1 137 137 SER CB C 13 65.04 0.06 . 1 . . . . . . . . 5090 1 566 . 1 1 138 138 GLY H H 1 8.227 0.01 . 1 . . . . . . . . 5090 1 567 . 1 1 138 138 GLY N N 15 110.047 0.05 . 1 . . . . . . . . 5090 1 568 . 1 1 138 138 GLY C C 13 172.8 0.02 . 1 . . . . . . . . 5090 1 569 . 1 1 138 138 GLY CA C 13 45.05 0.03 . 1 . . . . . . . . 5090 1 570 . 1 1 139 139 PHE H H 1 8.043 0.01 . 1 . . . . . . . . 5090 1 571 . 1 1 139 139 PHE N N 15 121.622 0.05 . 1 . . . . . . . . 5090 1 572 . 1 1 139 139 PHE C C 13 174.22 0.02 . 1 . . . . . . . . 5090 1 573 . 1 1 139 139 PHE CA C 13 56.78 0.03 . 1 . . . . . . . . 5090 1 574 . 1 1 139 139 PHE CB C 13 41.32 0.06 . 1 . . . . . . . . 5090 1 575 . 1 1 140 140 GLY H H 1 7.992 0.01 . 1 . . . . . . . . 5090 1 576 . 1 1 140 140 GLY N N 15 111.997 0.05 . 1 . . . . . . . . 5090 1 577 . 1 1 140 140 GLY C C 13 172.47 0.02 . 1 . . . . . . . . 5090 1 578 . 1 1 140 140 GLY CA C 13 43.42 0.03 . 1 . . . . . . . . 5090 1 579 . 1 1 141 141 TYR H H 1 9.05 0.01 . 1 . . . . . . . . 5090 1 580 . 1 1 141 141 TYR N N 15 117.028 0.05 . 1 . . . . . . . . 5090 1 581 . 1 1 141 141 TYR C C 13 173.12 0.02 . 1 . . . . . . . . 5090 1 582 . 1 1 141 141 TYR CA C 13 58.46 0.03 . 1 . . . . . . . . 5090 1 583 . 1 1 141 141 TYR CB C 13 43.76 0.06 . 1 . . . . . . . . 5090 1 584 . 1 1 142 142 LYS H H 1 9.493 0.01 . 1 . . . . . . . . 5090 1 585 . 1 1 142 142 LYS N N 15 115.935 0.05 . 1 . . . . . . . . 5090 1 586 . 1 1 142 142 LYS C C 13 174.44 0.02 . 1 . . . . . . . . 5090 1 587 . 1 1 142 142 LYS CA C 13 54.86 0.03 . 1 . . . . . . . . 5090 1 588 . 1 1 142 142 LYS CB C 13 36.76 0.06 . 1 . . . . . . . . 5090 1 589 . 1 1 143 143 LEU H H 1 10.484 0.01 . 1 . . . . . . . . 5090 1 590 . 1 1 143 143 LEU N N 15 122.06 0.05 . 1 . . . . . . . . 5090 1 591 . 1 1 143 143 LEU C C 13 176.81 0.02 . 1 . . . . . . . . 5090 1 592 . 1 1 143 143 LEU CA C 13 53.62 0.03 . 1 . . . . . . . . 5090 1 593 . 1 1 143 143 LEU CB C 13 44.25 0.06 . 1 . . . . . . . . 5090 1 594 . 1 1 144 144 GLY H H 1 9.012 0.01 . 1 . . . . . . . . 5090 1 595 . 1 1 144 144 GLY N N 15 107.507 0.05 . 1 . . . . . . . . 5090 1 596 . 1 1 144 144 GLY C C 13 171.25 0.02 . 1 . . . . . . . . 5090 1 597 . 1 1 144 144 GLY CA C 13 44.27 0.03 . 1 . . . . . . . . 5090 1 598 . 1 1 145 145 PHE H H 1 9.345 0.01 . 1 . . . . . . . . 5090 1 599 . 1 1 145 145 PHE N N 15 118.997 0.05 . 1 . . . . . . . . 5090 1 600 . 1 1 145 145 PHE C C 13 173.97 0.02 . 1 . . . . . . . . 5090 1 601 . 1 1 145 145 PHE CA C 13 57.61 0.03 . 1 . . . . . . . . 5090 1 602 . 1 1 145 145 PHE CB C 13 44.49 0.06 . 1 . . . . . . . . 5090 1 603 . 1 1 146 146 CYS H H 1 8.489 0.01 . 1 . . . . . . . . 5090 1 604 . 1 1 146 146 CYS N N 15 127.31 0.05 . 1 . . . . . . . . 5090 1 605 . 1 1 146 146 CYS C C 13 174.09 0.02 . 1 . . . . . . . . 5090 1 606 . 1 1 146 146 CYS CA C 13 54 0.03 . 1 . . . . . . . . 5090 1 607 . 1 1 146 146 CYS CB C 13 45.68 0.06 . 1 . . . . . . . . 5090 1 608 . 1 1 147 147 VAL H H 1 8.888 0.01 . 1 . . . . . . . . 5090 1 609 . 1 1 147 147 VAL N N 15 128.622 0.05 . 1 . . . . . . . . 5090 1 610 . 1 1 147 147 VAL C C 13 176.5 0.02 . 1 . . . . . . . . 5090 1 611 . 1 1 147 147 VAL CA C 13 63.12 0.03 . 1 . . . . . . . . 5090 1 612 . 1 1 147 147 VAL CB C 13 32.78 0.06 . 1 . . . . . . . . 5090 1 613 . 1 1 148 148 LYS H H 1 8.784 0.01 . 1 . . . . . . . . 5090 1 614 . 1 1 148 148 LYS N N 15 129.694 0.05 . 1 . . . . . . . . 5090 1 615 . 1 1 148 148 LYS C C 13 177.79 0.02 . 1 . . . . . . . . 5090 1 616 . 1 1 148 148 LYS CA C 13 58.69 0.03 . 1 . . . . . . . . 5090 1 617 . 1 1 148 148 LYS CB C 13 32.61 0.06 . 1 . . . . . . . . 5090 1 618 . 1 1 149 149 GLY C C 13 173.99 0.02 . 1 . . . . . . . . 5090 1 619 . 1 1 149 149 GLY CA C 13 45.28 0.03 . 1 . . . . . . . . 5090 1 620 . 1 1 150 150 SER H H 1 7.975 0.01 . 5 . . . . . . . . 5090 1 621 . 1 1 150 150 SER N N 15 116.372 0.05 . 5 . . . . . . . . 5090 1 622 . 1 1 150 150 SER C C 13 174.26 0.02 . 5 . . . . . . . . 5090 1 623 . 1 1 150 150 SER CA C 13 55.64 0.03 . 5 . . . . . . . . 5090 1 624 . 1 1 150 150 SER CB C 13 65.52 0.06 . 5 . . . . . . . . 5090 1 625 . 1 1 151 151 PRO C C 13 176.53 0.02 . 1 . . . . . . . . 5090 1 626 . 1 1 151 151 PRO CA C 13 64.07 0.03 . 1 . . . . . . . . 5090 1 627 . 1 1 151 151 PRO CB C 13 32.46 0.06 . 1 . . . . . . . . 5090 1 628 . 1 1 152 152 THR H H 1 7.67 0.01 . 9 . . . . . . . . 5090 1 629 . 1 1 152 152 THR N N 15 112.449 0.05 . 9 . . . . . . . . 5090 1 630 . 1 1 152 152 THR C C 13 174.07 0.02 . 9 . . . . . . . . 5090 1 631 . 1 1 152 152 THR CA C 13 61.14 0.03 . 9 . . . . . . . . 5090 1 632 . 1 1 152 152 THR CB C 13 71.03 0.06 . 9 . . . . . . . . 5090 1 633 . 1 1 153 153 CYS C C 13 172.93 0.02 . 1 . . . . . . . . 5090 1 634 . 1 1 153 153 CYS CA C 13 56.98 0.03 . 1 . . . . . . . . 5090 1 635 . 1 1 153 153 CYS CB C 13 50.21 0.06 . 1 . . . . . . . . 5090 1 636 . 1 1 154 154 LEU H H 1 8.794 0.01 . 1 . . . . . . . . 5090 1 637 . 1 1 154 154 LEU N N 15 123.591 0.05 . 1 . . . . . . . . 5090 1 638 . 1 1 154 154 LEU C C 13 175.73 0.02 . 1 . . . . . . . . 5090 1 639 . 1 1 154 154 LEU CA C 13 54.17 0.03 . 1 . . . . . . . . 5090 1 640 . 1 1 154 154 LEU CB C 13 46.49 0.06 . 1 . . . . . . . . 5090 1 641 . 1 1 155 155 ASP H H 1 8.181 0.01 . 1 . . . . . . . . 5090 1 642 . 1 1 155 155 ASP N N 15 120.446 0.05 . 1 . . . . . . . . 5090 1 643 . 1 1 155 155 ASP C C 13 174.82 0.02 . 1 . . . . . . . . 5090 1 644 . 1 1 155 155 ASP CA C 13 54.78 0.03 . 1 . . . . . . . . 5090 1 645 . 1 1 155 155 ASP CB C 13 43.33 0.06 . 1 . . . . . . . . 5090 1 646 . 1 1 156 156 VAL H H 1 8.59 0.01 . 1 . . . . . . . . 5090 1 647 . 1 1 156 156 VAL N N 15 118.997 0.05 . 1 . . . . . . . . 5090 1 648 . 1 1 156 156 VAL C C 13 177.25 0.02 . 1 . . . . . . . . 5090 1 649 . 1 1 156 156 VAL CA C 13 62.29 0.03 . 1 . . . . . . . . 5090 1 650 . 1 1 156 156 VAL CB C 13 32.15 0.06 . 1 . . . . . . . . 5090 1 651 . 1 1 157 157 GLY H H 1 9.802 0.01 . 1 . . . . . . . . 5090 1 652 . 1 1 157 157 GLY N N 15 120.591 0.05 . 1 . . . . . . . . 5090 1 653 . 1 1 157 157 GLY C C 13 171.33 0.02 . 1 . . . . . . . . 5090 1 654 . 1 1 157 157 GLY CA C 13 44.18 0.03 . 1 . . . . . . . . 5090 1 655 . 1 1 158 158 ARG H H 1 8.354 0.01 . 1 . . . . . . . . 5090 1 656 . 1 1 158 158 ARG N N 15 115.06 0.05 . 1 . . . . . . . . 5090 1 657 . 1 1 158 158 ARG C C 13 177.04 0.02 . 1 . . . . . . . . 5090 1 658 . 1 1 158 158 ARG CA C 13 54.64 0.03 . 1 . . . . . . . . 5090 1 659 . 1 1 158 158 ARG CB C 13 35.97 0.06 . 1 . . . . . . . . 5090 1 660 . 1 1 159 159 PHE H H 1 8.462 0.01 . 1 . . . . . . . . 5090 1 661 . 1 1 159 159 PHE N N 15 120.538 0.05 . 1 . . . . . . . . 5090 1 662 . 1 1 159 159 PHE CA C 13 57.95 0.03 . 1 . . . . . . . . 5090 1 663 . 1 1 159 159 PHE CB C 13 42.66 0.06 . 1 . . . . . . . . 5090 1 664 . 1 1 160 160 ASP C C 13 173.43 0.02 . 1 . . . . . . . . 5090 1 665 . 1 1 160 160 ASP CA C 13 53.57 0.03 . 1 . . . . . . . . 5090 1 666 . 1 1 160 160 ASP CB C 13 41.83 0.06 . 1 . . . . . . . . 5090 1 667 . 1 1 161 161 ASN H H 1 9.311 0.01 . 1 . . . . . . . . 5090 1 668 . 1 1 161 161 ASN N N 15 126.872 0.05 . 1 . . . . . . . . 5090 1 669 . 1 1 161 161 ASN C C 13 175.07 0.02 . 1 . . . . . . . . 5090 1 670 . 1 1 161 161 ASN CA C 13 52.1 0.03 . 1 . . . . . . . . 5090 1 671 . 1 1 161 161 ASN CB C 13 41.15 0.06 . 1 . . . . . . . . 5090 1 672 . 1 1 162 162 ASP H H 1 9.056 0.01 . 1 . . . . . . . . 5090 1 673 . 1 1 162 162 ASP N N 15 114.963 0.05 . 1 . . . . . . . . 5090 1 674 . 1 1 162 162 ASP C C 13 176.06 0.02 . 1 . . . . . . . . 5090 1 675 . 1 1 162 162 ASP CA C 13 56.29 0.03 . 1 . . . . . . . . 5090 1 676 . 1 1 162 162 ASP CB C 13 40.15 0.06 . 1 . . . . . . . . 5090 1 677 . 1 1 163 163 GLU H H 1 7.347 0.01 . 1 . . . . . . . . 5090 1 678 . 1 1 163 163 GLU N N 15 114.814 0.05 . 1 . . . . . . . . 5090 1 679 . 1 1 163 163 GLU C C 13 177 0.02 . 1 . . . . . . . . 5090 1 680 . 1 1 163 163 GLU CA C 13 55.8 0.03 . 1 . . . . . . . . 5090 1 681 . 1 1 163 163 GLU CB C 13 27.9 0.06 . 1 . . . . . . . . 5090 1 682 . 1 1 164 164 ASP C C 13 176.26 0.02 . 1 . . . . . . . . 5090 1 683 . 1 1 164 164 ASP CA C 13 56.95 0.03 . 1 . . . . . . . . 5090 1 684 . 1 1 164 164 ASP CB C 13 41.37 0.06 . 1 . . . . . . . . 5090 1 685 . 1 1 165 165 GLY H H 1 7.088 0.01 . 1 . . . . . . . . 5090 1 686 . 1 1 165 165 GLY N N 15 103.146 0.05 . 1 . . . . . . . . 5090 1 687 . 1 1 165 165 GLY C C 13 172.08 0.02 . 1 . . . . . . . . 5090 1 688 . 1 1 165 165 GLY CA C 13 43.57 0.03 . 1 . . . . . . . . 5090 1 689 . 1 1 166 166 ARG H H 1 8.888 0.01 . 1 . . . . . . . . 5090 1 690 . 1 1 166 166 ARG N N 15 118.997 0.05 . 1 . . . . . . . . 5090 1 691 . 1 1 166 166 ARG C C 13 176.25 0.02 . 1 . . . . . . . . 5090 1 692 . 1 1 166 166 ARG CA C 13 57.25 0.03 . 1 . . . . . . . . 5090 1 693 . 1 1 166 166 ARG CB C 13 31.89 0.06 . 1 . . . . . . . . 5090 1 694 . 1 1 167 167 ARG H H 1 8.619 0.01 . 1 . . . . . . . . 5090 1 695 . 1 1 167 167 ARG N N 15 118.557 0.05 . 1 . . . . . . . . 5090 1 696 . 1 1 167 167 ARG C C 13 175.81 0.02 . 1 . . . . . . . . 5090 1 697 . 1 1 167 167 ARG CA C 13 56.01 0.03 . 1 . . . . . . . . 5090 1 698 . 1 1 168 168 LEU H H 1 8.788 0.01 . 1 . . . . . . . . 5090 1 699 . 1 1 168 168 LEU N N 15 121.94 0.05 . 1 . . . . . . . . 5090 1 700 . 1 1 168 168 LEU C C 13 175.74 0.02 . 1 . . . . . . . . 5090 1 701 . 1 1 168 168 LEU CA C 13 54.4 0.03 . 1 . . . . . . . . 5090 1 702 . 1 1 168 168 LEU CB C 13 42.42 0.06 . 1 . . . . . . . . 5090 1 703 . 1 1 169 169 ASN H H 1 8.452 0.01 . 1 . . . . . . . . 5090 1 704 . 1 1 169 169 ASN N N 15 118.934 0.05 . 1 . . . . . . . . 5090 1 705 . 1 1 169 169 ASN C C 13 174.04 0.02 . 1 . . . . . . . . 5090 1 706 . 1 1 169 169 ASN CA C 13 51 0.03 . 1 . . . . . . . . 5090 1 707 . 1 1 169 169 ASN CB C 13 43.14 0.06 . 1 . . . . . . . . 5090 1 708 . 1 1 170 170 LEU H H 1 8.514 0.01 . 1 . . . . . . . . 5090 1 709 . 1 1 170 170 LEU N N 15 119.216 0.05 . 1 . . . . . . . . 5090 1 710 . 1 1 170 170 LEU C C 13 177.77 0.02 . 1 . . . . . . . . 5090 1 711 . 1 1 170 170 LEU CA C 13 54.51 0.03 . 1 . . . . . . . . 5090 1 712 . 1 1 170 170 LEU CB C 13 40.45 0.06 . 1 . . . . . . . . 5090 1 713 . 1 1 171 171 THR H H 1 9.416 0.01 . 1 . . . . . . . . 5090 1 714 . 1 1 171 171 THR N N 15 119.148 0.05 . 1 . . . . . . . . 5090 1 715 . 1 1 171 171 THR C C 13 171.11 0.02 . 1 . . . . . . . . 5090 1 716 . 1 1 171 171 THR CA C 13 59.94 0.03 . 1 . . . . . . . . 5090 1 717 . 1 1 171 171 THR CB C 13 71.33 0.06 . 1 . . . . . . . . 5090 1 718 . 1 1 174 174 GLU C C 13 176.37 0.02 . 1 . . . . . . . . 5090 1 719 . 1 1 174 174 GLU CA C 13 57.72 0.03 . 1 . . . . . . . . 5090 1 720 . 1 1 174 174 GLU CB C 13 30.08 0.06 . 1 . . . . . . . . 5090 1 721 . 1 1 175 175 SER H H 1 8.597 0.01 . 1 . . . . . . . . 5090 1 722 . 1 1 175 175 SER N N 15 120.254 0.05 . 1 . . . . . . . . 5090 1 723 . 1 1 175 175 SER C C 13 174.45 0.02 . 1 . . . . . . . . 5090 1 724 . 1 1 175 175 SER CA C 13 58.88 0.03 . 1 . . . . . . . . 5090 1 725 . 1 1 175 175 SER CB C 13 65.88 0.06 . 1 . . . . . . . . 5090 1 726 . 1 1 176 176 PHE H H 1 9.291 0.01 . 1 . . . . . . . . 5090 1 727 . 1 1 176 176 PHE N N 15 121.841 0.05 . 1 . . . . . . . . 5090 1 728 . 1 1 176 176 PHE C C 13 173.08 0.02 . 1 . . . . . . . . 5090 1 729 . 1 1 176 176 PHE CA C 13 54.25 0.03 . 1 . . . . . . . . 5090 1 730 . 1 1 176 176 PHE CB C 13 39.14 0.06 . 1 . . . . . . . . 5090 1 731 . 1 1 177 177 GLN H H 1 8.52 0.01 . 1 . . . . . . . . 5090 1 732 . 1 1 177 177 GLN N N 15 131.68 0.05 . 1 . . . . . . . . 5090 1 733 . 1 1 177 177 GLN C C 13 175.58 0.02 . 1 . . . . . . . . 5090 1 734 . 1 1 177 177 GLN CA C 13 55.34 0.03 . 1 . . . . . . . . 5090 1 735 . 1 1 177 177 GLN CB C 13 29.29 0.06 . 1 . . . . . . . . 5090 1 736 . 1 1 178 178 VAL H H 1 9.24 0.01 . 1 . . . . . . . . 5090 1 737 . 1 1 178 178 VAL N N 15 124.053 0.05 . 1 . . . . . . . . 5090 1 738 . 1 1 178 178 VAL C C 13 174.58 0.02 . 1 . . . . . . . . 5090 1 739 . 1 1 178 178 VAL CA C 13 59.75 0.03 . 1 . . . . . . . . 5090 1 740 . 1 1 178 178 VAL CB C 13 36.7 0.06 . 1 . . . . . . . . 5090 1 741 . 1 1 179 179 VAL H H 1 8.538 0.01 . 1 . . . . . . . . 5090 1 742 . 1 1 179 179 VAL N N 15 111.56 0.05 . 1 . . . . . . . . 5090 1 743 . 1 1 179 179 VAL C C 13 172.96 0.02 . 1 . . . . . . . . 5090 1 744 . 1 1 179 179 VAL CA C 13 59.18 0.03 . 1 . . . . . . . . 5090 1 745 . 1 1 179 179 VAL CB C 13 36.44 0.06 . 1 . . . . . . . . 5090 1 746 . 1 1 180 180 PHE H H 1 8.38 0.01 . 1 . . . . . . . . 5090 1 747 . 1 1 180 180 PHE N N 15 116.372 0.05 . 1 . . . . . . . . 5090 1 748 . 1 1 180 180 PHE C C 13 175.18 0.02 . 1 . . . . . . . . 5090 1 749 . 1 1 180 180 PHE CA C 13 56.2 0.03 . 1 . . . . . . . . 5090 1 750 . 1 1 180 180 PHE CB C 13 42.81 0.06 . 1 . . . . . . . . 5090 1 751 . 1 1 181 181 ILE H H 1 8.916 0.01 . 1 . . . . . . . . 5090 1 752 . 1 1 181 181 ILE N N 15 121.4 0.05 . 1 . . . . . . . . 5090 1 753 . 1 1 181 181 ILE C C 13 175.8 0.02 . 1 . . . . . . . . 5090 1 754 . 1 1 181 181 ILE CA C 13 59.94 0.03 . 1 . . . . . . . . 5090 1 755 . 1 1 181 181 ILE CB C 13 42.28 0.06 . 1 . . . . . . . . 5090 1 756 . 1 1 182 182 GLN H H 1 9.917 0.01 . 1 . . . . . . . . 5090 1 757 . 1 1 182 182 GLN N N 15 129.773 0.05 . 1 . . . . . . . . 5090 1 758 . 1 1 182 182 GLN C C 13 176.12 0.02 . 1 . . . . . . . . 5090 1 759 . 1 1 182 182 GLN CA C 13 58.52 0.03 . 1 . . . . . . . . 5090 1 760 . 1 1 182 182 GLN CB C 13 28.82 0.06 . 1 . . . . . . . . 5090 1 761 . 1 1 183 183 ALA H H 1 8.244 0.01 . 1 . . . . . . . . 5090 1 762 . 1 1 183 183 ALA N N 15 129.483 0.05 . 1 . . . . . . . . 5090 1 763 . 1 1 183 183 ALA C C 13 177.41 0.02 . 1 . . . . . . . . 5090 1 764 . 1 1 183 183 ALA CA C 13 52.76 0.03 . 1 . . . . . . . . 5090 1 765 . 1 1 183 183 ALA CB C 13 19.38 0.06 . 1 . . . . . . . . 5090 1 766 . 1 1 184 184 GLU H H 1 8.37 0.01 . 1 . . . . . . . . 5090 1 767 . 1 1 184 184 GLU N N 15 120.307 0.05 . 1 . . . . . . . . 5090 1 768 . 1 1 184 184 GLU C C 13 175.99 0.02 . 1 . . . . . . . . 5090 1 769 . 1 1 184 184 GLU CA C 13 56.17 0.03 . 1 . . . . . . . . 5090 1 770 . 1 1 184 184 GLU CB C 13 30.89 0.06 . 1 . . . . . . . . 5090 1 771 . 1 1 185 185 ALA H H 1 8.316 0.01 . 1 . . . . . . . . 5090 1 772 . 1 1 185 185 ALA N N 15 124.655 0.05 . 1 . . . . . . . . 5090 1 773 . 1 1 185 185 ALA C C 13 177.51 0.02 . 1 . . . . . . . . 5090 1 774 . 1 1 185 185 ALA CA C 13 52.91 0.03 . 1 . . . . . . . . 5090 1 775 . 1 1 185 185 ALA CB C 13 19.63 0.06 . 1 . . . . . . . . 5090 1 776 . 1 1 186 186 ASN C C 13 175.12 0.02 . 1 . . . . . . . . 5090 1 777 . 1 1 186 186 ASN CA C 13 53.7 0.03 . 1 . . . . . . . . 5090 1 778 . 1 1 187 187 ASP H H 1 8.327 0.01 . 1 . . . . . . . . 5090 1 779 . 1 1 187 187 ASP N N 15 121.098 0.05 . 1 . . . . . . . . 5090 1 780 . 1 1 187 187 ASP C C 13 176.37 0.02 . 1 . . . . . . . . 5090 1 781 . 1 1 187 187 ASP CA C 13 55.11 0.03 . 1 . . . . . . . . 5090 1 782 . 1 1 187 187 ASP CB C 13 42.11 0.06 . 1 . . . . . . . . 5090 1 783 . 1 1 188 188 ALA H H 1 8.219 0.01 . 1 . . . . . . . . 5090 1 784 . 1 1 188 188 ALA N N 15 123.838 0.05 . 1 . . . . . . . . 5090 1 785 . 1 1 188 188 ALA C C 13 175.37 0.02 . 1 . . . . . . . . 5090 1 786 . 1 1 188 188 ALA CA C 13 53.52 0.03 . 1 . . . . . . . . 5090 1 787 . 1 1 188 188 ALA CB C 13 19.67 0.06 . 1 . . . . . . . . 5090 1 788 . 1 1 189 189 GLU H H 1 8.258 0.01 . 1 . . . . . . . . 5090 1 789 . 1 1 189 189 GLU N N 15 118.5 0.05 . 1 . . . . . . . . 5090 1 790 . 1 1 189 189 GLU C C 13 176.66 0.02 . 1 . . . . . . . . 5090 1 791 . 1 1 189 189 GLU CA C 13 57.14 0.03 . 1 . . . . . . . . 5090 1 792 . 1 1 189 189 GLU CB C 13 30.35 0.06 . 1 . . . . . . . . 5090 1 793 . 1 1 190 190 PHE H H 1 8.041 0.01 . 1 . . . . . . . . 5090 1 794 . 1 1 190 190 PHE N N 15 120.335 0.05 . 1 . . . . . . . . 5090 1 795 . 1 1 190 190 PHE C C 13 175.8 0.02 . 1 . . . . . . . . 5090 1 796 . 1 1 190 190 PHE CA C 13 58.43 0.03 . 1 . . . . . . . . 5090 1 797 . 1 1 190 190 PHE CB C 13 40.08 0.06 . 1 . . . . . . . . 5090 1 798 . 1 1 191 191 ILE H H 1 7.952 0.01 . 1 . . . . . . . . 5090 1 799 . 1 1 191 191 ILE N N 15 122.5 0.05 . 1 . . . . . . . . 5090 1 800 . 1 1 191 191 ILE C C 13 175.93 0.02 . 1 . . . . . . . . 5090 1 801 . 1 1 191 191 ILE CA C 13 61.19 0.03 . 1 . . . . . . . . 5090 1 802 . 1 1 191 191 ILE CB C 13 38.77 0.06 . 1 . . . . . . . . 5090 1 803 . 1 1 192 192 LYS H H 1 8.192 0.01 . 1 . . . . . . . . 5090 1 804 . 1 1 192 192 LYS N N 15 124.958 0.05 . 1 . . . . . . . . 5090 1 805 . 1 1 192 192 LYS C C 13 176.56 0.02 . 1 . . . . . . . . 5090 1 806 . 1 1 192 192 LYS CA C 13 56.8 0.03 . 1 . . . . . . . . 5090 1 807 . 1 1 192 192 LYS CB C 13 33.38 0.06 . 1 . . . . . . . . 5090 1 808 . 1 1 194 194 VAL H H 1 8.146 0.01 . 1 . . . . . . . . 5090 1 809 . 1 1 194 194 VAL N N 15 122.06 0.05 . 1 . . . . . . . . 5090 1 810 . 1 1 194 194 VAL C C 13 175.32 0.02 . 1 . . . . . . . . 5090 1 811 . 1 1 194 194 VAL CA C 13 62.62 0.03 . 1 . . . . . . . . 5090 1 812 . 1 1 194 194 VAL CB C 13 33.3 0.06 . 1 . . . . . . . . 5090 1 813 . 1 1 195 195 VAL H H 1 7.688 0.01 . 1 . . . . . . . . 5090 1 814 . 1 1 195 195 VAL N N 15 127.016 0.05 . 1 . . . . . . . . 5090 1 815 . 1 1 195 195 VAL C C 13 180.97 0.02 . 1 . . . . . . . . 5090 1 816 . 1 1 195 195 VAL CA C 13 63.85 0.03 . 1 . . . . . . . . 5090 1 817 . 1 1 195 195 VAL CB C 13 33.89 0.06 . 1 . . . . . . . . 5090 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 624 5090 1 1 623 5090 1 1 622 5090 1 1 621 5090 1 1 620 5090 1 stop_ save_