data_52138 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52138 _Entry.Title ; Backbone assignment of the R178Q mutant of ubiquitin carboxyl-terminal hydrolase L1 (UCH-L1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-09-19 _Entry.Accession_date 2023-09-19 _Entry.Last_release_date 2023-09-19 _Entry.Original_release_date 2023-09-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Tsung-Sheng Chiang . . . 0009-0008-0084-0663 52138 2 Chih-Hsuan Lai . . . 0000-0002-4899-2817 52138 3 'Shang-Te Danny' Hsu . . . 0000-0002-7231-0185 52138 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52138 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 506 52138 '15N chemical shifts' 172 52138 '1H chemical shifts' 172 52138 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 2 . . 2024-01-15 2023-09-19 update BMRB 'update entry citation' 52138 1 . . 2024-01-09 2023-09-19 original author 'original release' 52138 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52137 'wild type ubiquitin carboxyl-terminal hydrolase L1 (UCH-L1)' 52138 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52138 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38185323 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Altered protein dynamics and a more reactive catalytic cysteine in a neurodegeneration-associated UCHL1 mutant ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 436 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 168438 _Citation.Page_last 168438 _Citation.Year 2024 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sebastian Kenny S. . . . 52138 1 2 Chih-Hsuan Lai C. H. . . 52138 1 3 Tsung-Sheng Chiang T. S. . . 52138 1 4 Kwame Brown K. . . . 52138 1 5 Chad Hewitt C. S. . . 52138 1 6 Aaron Krabill A. D. . . 52138 1 7 Hao-Ting Chang H. T. . . 52138 1 8 Yong-Sheng Wang Y. S. . . 52138 1 9 Daniel Flaherty D. P. . . 52138 1 10 Shang-Te 'Danny Hsu' S. T. . . 52138 1 11 Chittaranjan Das C. . . . 52138 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52138 _Assembly.ID 1 _Assembly.Name UCHL1_R178Q _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 UCHL1_R178Q 1 $entity_1 . . yes native no no . . . 52138 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52138 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MQLKPMEINPEMLNKVLSRL GVAGQWRFVDVLGLEEESLG SVPAPACALLLLFPLTAQHE NFRKKQIEELKGQEVSPKVY FMKQTIGNSCGTIGLIHAVA NNQDKLGFEDGSVLKQFLSE TEKMSPEDRAKCFEKNEAIQ AAHDAVAQEGQCRVDDKVNF HFILFNNVDGHLYELDGQMP FPVNHGASSEDTLLKDAAKV CREFTEREQGEVRFSAVALC KAALEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 231 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all 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 no _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 . MET . 52138 1 2 . GLN . 52138 1 3 . LEU . 52138 1 4 . LYS . 52138 1 5 . PRO . 52138 1 6 . MET . 52138 1 7 . GLU . 52138 1 8 . ILE . 52138 1 9 . ASN . 52138 1 10 . PRO . 52138 1 11 . GLU . 52138 1 12 . MET . 52138 1 13 . LEU . 52138 1 14 . ASN . 52138 1 15 . LYS . 52138 1 16 . VAL . 52138 1 17 . LEU . 52138 1 18 . SER . 52138 1 19 . ARG . 52138 1 20 . LEU . 52138 1 21 . GLY . 52138 1 22 . VAL . 52138 1 23 . ALA . 52138 1 24 . GLY . 52138 1 25 . GLN . 52138 1 26 . TRP . 52138 1 27 . ARG . 52138 1 28 . PHE . 52138 1 29 . VAL . 52138 1 30 . ASP . 52138 1 31 . VAL . 52138 1 32 . LEU . 52138 1 33 . GLY . 52138 1 34 . LEU . 52138 1 35 . GLU . 52138 1 36 . GLU . 52138 1 37 . GLU . 52138 1 38 . SER . 52138 1 39 . LEU . 52138 1 40 . GLY . 52138 1 41 . SER . 52138 1 42 . VAL . 52138 1 43 . PRO . 52138 1 44 . ALA . 52138 1 45 . PRO . 52138 1 46 . ALA . 52138 1 47 . CYS . 52138 1 48 . ALA . 52138 1 49 . LEU . 52138 1 50 . LEU . 52138 1 51 . LEU . 52138 1 52 . LEU . 52138 1 53 . PHE . 52138 1 54 . PRO . 52138 1 55 . LEU . 52138 1 56 . THR . 52138 1 57 . ALA . 52138 1 58 . GLN . 52138 1 59 . HIS . 52138 1 60 . GLU . 52138 1 61 . ASN . 52138 1 62 . PHE . 52138 1 63 . ARG . 52138 1 64 . LYS . 52138 1 65 . LYS . 52138 1 66 . GLN . 52138 1 67 . ILE . 52138 1 68 . GLU . 52138 1 69 . GLU . 52138 1 70 . LEU . 52138 1 71 . LYS . 52138 1 72 . GLY . 52138 1 73 . GLN . 52138 1 74 . GLU . 52138 1 75 . VAL . 52138 1 76 . SER . 52138 1 77 . PRO . 52138 1 78 . LYS . 52138 1 79 . VAL . 52138 1 80 . TYR . 52138 1 81 . PHE . 52138 1 82 . MET . 52138 1 83 . LYS . 52138 1 84 . GLN . 52138 1 85 . THR . 52138 1 86 . ILE . 52138 1 87 . GLY . 52138 1 88 . ASN . 52138 1 89 . SER . 52138 1 90 . CYS . 52138 1 91 . GLY . 52138 1 92 . THR . 52138 1 93 . ILE . 52138 1 94 . GLY . 52138 1 95 . LEU . 52138 1 96 . ILE . 52138 1 97 . HIS . 52138 1 98 . ALA . 52138 1 99 . VAL . 52138 1 100 . ALA . 52138 1 101 . ASN . 52138 1 102 . ASN . 52138 1 103 . GLN . 52138 1 104 . ASP . 52138 1 105 . LYS . 52138 1 106 . LEU . 52138 1 107 . GLY . 52138 1 108 . PHE . 52138 1 109 . GLU . 52138 1 110 . ASP . 52138 1 111 . GLY . 52138 1 112 . SER . 52138 1 113 . VAL . 52138 1 114 . LEU . 52138 1 115 . LYS . 52138 1 116 . GLN . 52138 1 117 . PHE . 52138 1 118 . LEU . 52138 1 119 . SER . 52138 1 120 . GLU . 52138 1 121 . THR . 52138 1 122 . GLU . 52138 1 123 . LYS . 52138 1 124 . MET . 52138 1 125 . SER . 52138 1 126 . PRO . 52138 1 127 . GLU . 52138 1 128 . ASP . 52138 1 129 . ARG . 52138 1 130 . ALA . 52138 1 131 . LYS . 52138 1 132 . CYS . 52138 1 133 . PHE . 52138 1 134 . GLU . 52138 1 135 . LYS . 52138 1 136 . ASN . 52138 1 137 . GLU . 52138 1 138 . ALA . 52138 1 139 . ILE . 52138 1 140 . GLN . 52138 1 141 . ALA . 52138 1 142 . ALA . 52138 1 143 . HIS . 52138 1 144 . ASP . 52138 1 145 . ALA . 52138 1 146 . VAL . 52138 1 147 . ALA . 52138 1 148 . GLN . 52138 1 149 . GLU . 52138 1 150 . GLY . 52138 1 151 . GLN . 52138 1 152 . CYS . 52138 1 153 . ARG . 52138 1 154 . VAL . 52138 1 155 . ASP . 52138 1 156 . ASP . 52138 1 157 . LYS . 52138 1 158 . VAL . 52138 1 159 . ASN . 52138 1 160 . PHE . 52138 1 161 . HIS . 52138 1 162 . PHE . 52138 1 163 . ILE . 52138 1 164 . LEU . 52138 1 165 . PHE . 52138 1 166 . ASN . 52138 1 167 . ASN . 52138 1 168 . VAL . 52138 1 169 . ASP . 52138 1 170 . GLY . 52138 1 171 . HIS . 52138 1 172 . LEU . 52138 1 173 . TYR . 52138 1 174 . GLU . 52138 1 175 . LEU . 52138 1 176 . ASP . 52138 1 177 . GLY . 52138 1 178 . GLN . 52138 1 179 . MET . 52138 1 180 . PRO . 52138 1 181 . PHE . 52138 1 182 . PRO . 52138 1 183 . VAL . 52138 1 184 . ASN . 52138 1 185 . HIS . 52138 1 186 . GLY . 52138 1 187 . ALA . 52138 1 188 . SER . 52138 1 189 . SER . 52138 1 190 . GLU . 52138 1 191 . ASP . 52138 1 192 . THR . 52138 1 193 . LEU . 52138 1 194 . LEU . 52138 1 195 . LYS . 52138 1 196 . ASP . 52138 1 197 . ALA . 52138 1 198 . ALA . 52138 1 199 . LYS . 52138 1 200 . VAL . 52138 1 201 . CYS . 52138 1 202 . ARG . 52138 1 203 . GLU . 52138 1 204 . PHE . 52138 1 205 . THR . 52138 1 206 . GLU . 52138 1 207 . ARG . 52138 1 208 . GLU . 52138 1 209 . GLN . 52138 1 210 . GLY . 52138 1 211 . GLU . 52138 1 212 . VAL . 52138 1 213 . ARG . 52138 1 214 . PHE . 52138 1 215 . SER . 52138 1 216 . ALA . 52138 1 217 . VAL . 52138 1 218 . ALA . 52138 1 219 . LEU . 52138 1 220 . CYS . 52138 1 221 . LYS . 52138 1 222 . ALA . 52138 1 223 . ALA . 52138 1 224 . LEU . 52138 1 225 . GLU . 52138 1 226 . HIS . 52138 1 227 . HIS . 52138 1 228 . HIS . 52138 1 229 . HIS . 52138 1 230 . HIS . 52138 1 231 . HIS . 52138 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 52138 1 . GLN 2 2 52138 1 . LEU 3 3 52138 1 . LYS 4 4 52138 1 . PRO 5 5 52138 1 . MET 6 6 52138 1 . GLU 7 7 52138 1 . ILE 8 8 52138 1 . ASN 9 9 52138 1 . PRO 10 10 52138 1 . GLU 11 11 52138 1 . MET 12 12 52138 1 . LEU 13 13 52138 1 . ASN 14 14 52138 1 . LYS 15 15 52138 1 . VAL 16 16 52138 1 . LEU 17 17 52138 1 . SER 18 18 52138 1 . ARG 19 19 52138 1 . LEU 20 20 52138 1 . GLY 21 21 52138 1 . VAL 22 22 52138 1 . ALA 23 23 52138 1 . GLY 24 24 52138 1 . GLN 25 25 52138 1 . TRP 26 26 52138 1 . ARG 27 27 52138 1 . PHE 28 28 52138 1 . VAL 29 29 52138 1 . ASP 30 30 52138 1 . VAL 31 31 52138 1 . LEU 32 32 52138 1 . GLY 33 33 52138 1 . LEU 34 34 52138 1 . GLU 35 35 52138 1 . GLU 36 36 52138 1 . GLU 37 37 52138 1 . SER 38 38 52138 1 . LEU 39 39 52138 1 . GLY 40 40 52138 1 . SER 41 41 52138 1 . VAL 42 42 52138 1 . PRO 43 43 52138 1 . ALA 44 44 52138 1 . PRO 45 45 52138 1 . ALA 46 46 52138 1 . CYS 47 47 52138 1 . ALA 48 48 52138 1 . LEU 49 49 52138 1 . LEU 50 50 52138 1 . LEU 51 51 52138 1 . LEU 52 52 52138 1 . PHE 53 53 52138 1 . PRO 54 54 52138 1 . LEU 55 55 52138 1 . THR 56 56 52138 1 . ALA 57 57 52138 1 . GLN 58 58 52138 1 . HIS 59 59 52138 1 . GLU 60 60 52138 1 . ASN 61 61 52138 1 . PHE 62 62 52138 1 . ARG 63 63 52138 1 . LYS 64 64 52138 1 . LYS 65 65 52138 1 . GLN 66 66 52138 1 . ILE 67 67 52138 1 . GLU 68 68 52138 1 . GLU 69 69 52138 1 . LEU 70 70 52138 1 . LYS 71 71 52138 1 . GLY 72 72 52138 1 . GLN 73 73 52138 1 . GLU 74 74 52138 1 . VAL 75 75 52138 1 . SER 76 76 52138 1 . PRO 77 77 52138 1 . LYS 78 78 52138 1 . VAL 79 79 52138 1 . TYR 80 80 52138 1 . PHE 81 81 52138 1 . MET 82 82 52138 1 . LYS 83 83 52138 1 . GLN 84 84 52138 1 . THR 85 85 52138 1 . ILE 86 86 52138 1 . GLY 87 87 52138 1 . ASN 88 88 52138 1 . SER 89 89 52138 1 . CYS 90 90 52138 1 . GLY 91 91 52138 1 . THR 92 92 52138 1 . ILE 93 93 52138 1 . GLY 94 94 52138 1 . LEU 95 95 52138 1 . ILE 96 96 52138 1 . HIS 97 97 52138 1 . ALA 98 98 52138 1 . VAL 99 99 52138 1 . ALA 100 100 52138 1 . ASN 101 101 52138 1 . ASN 102 102 52138 1 . GLN 103 103 52138 1 . ASP 104 104 52138 1 . LYS 105 105 52138 1 . LEU 106 106 52138 1 . GLY 107 107 52138 1 . PHE 108 108 52138 1 . GLU 109 109 52138 1 . ASP 110 110 52138 1 . GLY 111 111 52138 1 . SER 112 112 52138 1 . VAL 113 113 52138 1 . LEU 114 114 52138 1 . LYS 115 115 52138 1 . GLN 116 116 52138 1 . PHE 117 117 52138 1 . LEU 118 118 52138 1 . SER 119 119 52138 1 . GLU 120 120 52138 1 . THR 121 121 52138 1 . GLU 122 122 52138 1 . LYS 123 123 52138 1 . MET 124 124 52138 1 . SER 125 125 52138 1 . PRO 126 126 52138 1 . GLU 127 127 52138 1 . ASP 128 128 52138 1 . ARG 129 129 52138 1 . ALA 130 130 52138 1 . LYS 131 131 52138 1 . CYS 132 132 52138 1 . PHE 133 133 52138 1 . GLU 134 134 52138 1 . LYS 135 135 52138 1 . ASN 136 136 52138 1 . GLU 137 137 52138 1 . ALA 138 138 52138 1 . ILE 139 139 52138 1 . GLN 140 140 52138 1 . ALA 141 141 52138 1 . ALA 142 142 52138 1 . HIS 143 143 52138 1 . ASP 144 144 52138 1 . ALA 145 145 52138 1 . VAL 146 146 52138 1 . ALA 147 147 52138 1 . GLN 148 148 52138 1 . GLU 149 149 52138 1 . GLY 150 150 52138 1 . GLN 151 151 52138 1 . CYS 152 152 52138 1 . ARG 153 153 52138 1 . VAL 154 154 52138 1 . ASP 155 155 52138 1 . ASP 156 156 52138 1 . LYS 157 157 52138 1 . VAL 158 158 52138 1 . ASN 159 159 52138 1 . PHE 160 160 52138 1 . HIS 161 161 52138 1 . PHE 162 162 52138 1 . ILE 163 163 52138 1 . LEU 164 164 52138 1 . PHE 165 165 52138 1 . ASN 166 166 52138 1 . ASN 167 167 52138 1 . VAL 168 168 52138 1 . ASP 169 169 52138 1 . GLY 170 170 52138 1 . HIS 171 171 52138 1 . LEU 172 172 52138 1 . TYR 173 173 52138 1 . GLU 174 174 52138 1 . LEU 175 175 52138 1 . ASP 176 176 52138 1 . GLY 177 177 52138 1 . GLN 178 178 52138 1 . MET 179 179 52138 1 . PRO 180 180 52138 1 . PHE 181 181 52138 1 . PRO 182 182 52138 1 . VAL 183 183 52138 1 . ASN 184 184 52138 1 . HIS 185 185 52138 1 . GLY 186 186 52138 1 . ALA 187 187 52138 1 . SER 188 188 52138 1 . SER 189 189 52138 1 . GLU 190 190 52138 1 . ASP 191 191 52138 1 . THR 192 192 52138 1 . LEU 193 193 52138 1 . LEU 194 194 52138 1 . LYS 195 195 52138 1 . ASP 196 196 52138 1 . ALA 197 197 52138 1 . ALA 198 198 52138 1 . LYS 199 199 52138 1 . VAL 200 200 52138 1 . CYS 201 201 52138 1 . ARG 202 202 52138 1 . GLU 203 203 52138 1 . PHE 204 204 52138 1 . THR 205 205 52138 1 . GLU 206 206 52138 1 . ARG 207 207 52138 1 . GLU 208 208 52138 1 . GLN 209 209 52138 1 . GLY 210 210 52138 1 . GLU 211 211 52138 1 . VAL 212 212 52138 1 . ARG 213 213 52138 1 . PHE 214 214 52138 1 . SER 215 215 52138 1 . ALA 216 216 52138 1 . VAL 217 217 52138 1 . ALA 218 218 52138 1 . LEU 219 219 52138 1 . CYS 220 220 52138 1 . LYS 221 221 52138 1 . ALA 222 222 52138 1 . ALA 223 223 52138 1 . LEU 224 224 52138 1 . GLU 225 225 52138 1 . HIS 226 226 52138 1 . HIS 227 227 52138 1 . HIS 228 228 52138 1 . HIS 229 229 52138 1 . HIS 230 230 52138 1 . HIS 231 231 52138 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52138 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52138 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52138 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET23a . . . 52138 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52138 _Sample.ID 1 _Sample.Name 'UCH-L1_R178Q, [U-13C; U-15N], 1 mM; PBS; EDTA 0.5 mM; TCEP 1 mM; 0.02% NaN3' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'R178Q mutant of ubiquitin carboxy terminal hydrolase L1 (UCH-L1)' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 52138 1 2 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 52138 1 3 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 52138 1 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 52138 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52138 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'temperature: 298 K; pH: 7.4; pressure: 1 atm' _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 7.4 . pH 52138 1 pressure 1 . atm 52138 1 temperature 298 . K 52138 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52138 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52138 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52138 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52138 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52138 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'BRUKER NEO 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52138 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52138 1 2 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52138 1 3 '3D CBCACONH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52138 1 4 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52138 1 5 '3D HNCA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52138 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52138 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name H2O _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.252 . . . . . 52138 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 52138 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101 . . . . . 52138 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_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52138 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'UCHL1_R178Q_backbone assignment' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52138 1 2 '3D HNCACB' . . . 52138 1 3 '3D CBCACONH' . . . 52138 1 4 '3D HNCO' . . . 52138 1 5 '3D HNCA' . . . 52138 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52138 1 2 $software_2 . . 52138 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 5 5 PRO C C 13 175.254 0.000 . 1 . . . . . 5 P C 1 52138 1 2 . 1 . 1 5 5 PRO CA C 13 63.222 0.000 . 1 . . . . . 5 P CA 1 52138 1 3 . 1 . 1 5 5 PRO CB C 13 31.825 0.000 . 1 . . . . . 5 P CB 1 52138 1 4 . 1 . 1 6 6 MET H H 1 8.182 0.006 . 1 . . . . . 6 M H 8 52138 1 5 . 1 . 1 6 6 MET C C 13 174.649 0.000 . 1 . . . . . 6 M C 1 52138 1 6 . 1 . 1 6 6 MET CA C 13 53.960 0.192 . 1 . . . . . 6 M CA 2 52138 1 7 . 1 . 1 6 6 MET CB C 13 37.339 0.002 . 1 . . . . . 6 M CB 2 52138 1 8 . 1 . 1 6 6 MET N N 15 119.704 0.025 . 1 . . . . . 6 M N 8 52138 1 9 . 1 . 1 7 7 GLU H H 1 8.618 0.010 . 1 . . . . . 7 E H 8 52138 1 10 . 1 . 1 7 7 GLU CA C 13 56.219 0.000 . 1 . . . . . 7 E CA 1 52138 1 11 . 1 . 1 7 7 GLU CB C 13 30.337 0.000 . 1 . . . . . 7 E CB 1 52138 1 12 . 1 . 1 7 7 GLU N N 15 126.740 0.113 . 1 . . . . . 7 E N 8 52138 1 13 . 1 . 1 10 10 PRO C C 13 176.005 0.000 . 1 . . . . . 10 P C 1 52138 1 14 . 1 . 1 10 10 PRO CA C 13 67.246 0.009 . 1 . . . . . 10 P CA 3 52138 1 15 . 1 . 1 10 10 PRO CB C 13 31.398 0.092 . 1 . . . . . 10 P CB 2 52138 1 16 . 1 . 1 14 14 ASN H H 1 9.036 0.006 . 1 . . . . . 14 N H 12 52138 1 17 . 1 . 1 14 14 ASN C C 13 179.212 0.000 . 1 . . . . . 14 N C 1 52138 1 18 . 1 . 1 14 14 ASN CA C 13 56.053 0.083 . 1 . . . . . 14 N CA 5 52138 1 19 . 1 . 1 14 14 ASN CB C 13 37.336 0.096 . 1 . . . . . 14 N CB 3 52138 1 20 . 1 . 1 14 14 ASN N N 15 117.571 0.033 . 1 . . . . . 14 N N 12 52138 1 21 . 1 . 1 15 15 LYS H H 1 7.749 0.002 . 1 . . . . . 15 K H 11 52138 1 22 . 1 . 1 15 15 LYS C C 13 179.869 0.000 . 1 . . . . . 15 K C 1 52138 1 23 . 1 . 1 15 15 LYS CA C 13 60.351 0.102 . 1 . . . . . 15 K CA 5 52138 1 24 . 1 . 1 15 15 LYS CB C 13 33.610 0.055 . 1 . . . . . 15 K CB 3 52138 1 25 . 1 . 1 15 15 LYS N N 15 122.442 0.035 . 1 . . . . . 15 K N 11 52138 1 26 . 1 . 1 16 16 VAL H H 1 8.040 0.004 . 1 . . . . . 16 V H 11 52138 1 27 . 1 . 1 16 16 VAL C C 13 177.635 0.000 . 1 . . . . . 16 V C 1 52138 1 28 . 1 . 1 16 16 VAL CA C 13 67.961 0.124 . 1 . . . . . 16 V CA 5 52138 1 29 . 1 . 1 16 16 VAL CB C 13 30.602 0.034 . 1 . . . . . 16 V CB 3 52138 1 30 . 1 . 1 16 16 VAL N N 15 121.229 0.044 . 1 . . . . . 16 V N 11 52138 1 31 . 1 . 1 17 17 LEU H H 1 8.684 0.003 . 1 . . . . . 17 L H 12 52138 1 32 . 1 . 1 17 17 LEU C C 13 178.634 0.000 . 1 . . . . . 17 L C 1 52138 1 33 . 1 . 1 17 17 LEU CA C 13 59.020 0.137 . 1 . . . . . 17 L CA 5 52138 1 34 . 1 . 1 17 17 LEU CB C 13 42.801 0.115 . 1 . . . . . 17 L CB 3 52138 1 35 . 1 . 1 17 17 LEU N N 15 119.490 0.053 . 1 . . . . . 17 L N 12 52138 1 36 . 1 . 1 18 18 SER H H 1 7.737 0.003 . 1 . . . . . 18 S H 12 52138 1 37 . 1 . 1 18 18 SER C C 13 179.322 0.000 . 1 . . . . . 18 S C 1 52138 1 38 . 1 . 1 18 18 SER CA C 13 61.701 0.103 . 1 . . . . . 18 S CA 4 52138 1 39 . 1 . 1 18 18 SER CB C 13 62.945 0.015 . 1 . . . . . 18 S CB 3 52138 1 40 . 1 . 1 18 18 SER N N 15 110.926 0.051 . 1 . . . . . 18 S N 12 52138 1 41 . 1 . 1 19 19 ARG H H 1 8.286 0.003 . 1 . . . . . 19 R H 10 52138 1 42 . 1 . 1 19 19 ARG C C 13 178.583 0.000 . 1 . . . . . 19 R C 1 52138 1 43 . 1 . 1 19 19 ARG CA C 13 58.540 0.094 . 1 . . . . . 19 R CA 4 52138 1 44 . 1 . 1 19 19 ARG CB C 13 30.344 0.088 . 1 . . . . . 19 R CB 3 52138 1 45 . 1 . 1 19 19 ARG N N 15 123.088 0.060 . 1 . . . . . 19 R N 10 52138 1 46 . 1 . 1 20 20 LEU H H 1 8.257 0.003 . 1 . . . . . 20 L H 12 52138 1 47 . 1 . 1 20 20 LEU C C 13 177.233 0.000 . 1 . . . . . 20 L C 1 52138 1 48 . 1 . 1 20 20 LEU CA C 13 54.691 0.089 . 1 . . . . . 20 L CA 5 52138 1 49 . 1 . 1 20 20 LEU CB C 13 41.217 0.045 . 1 . . . . . 20 L CB 3 52138 1 50 . 1 . 1 20 20 LEU N N 15 115.436 0.057 . 1 . . . . . 20 L N 12 52138 1 51 . 1 . 1 21 21 GLY H H 1 8.152 0.007 . 1 . . . . . 21 G H 11 52138 1 52 . 1 . 1 21 21 GLY C C 13 173.294 0.000 . 1 . . . . . 21 G C 1 52138 1 53 . 1 . 1 21 21 GLY CA C 13 47.197 0.048 . 1 . . . . . 21 G CA 5 52138 1 54 . 1 . 1 21 21 GLY N N 15 109.135 0.037 . 1 . . . . . 21 G N 11 52138 1 55 . 1 . 1 22 22 VAL H H 1 8.025 0.005 . 1 . . . . . 22 V H 10 52138 1 56 . 1 . 1 22 22 VAL C C 13 175.359 0.000 . 1 . . . . . 22 V C 1 52138 1 57 . 1 . 1 22 22 VAL CA C 13 63.068 0.161 . 1 . . . . . 22 V CA 5 52138 1 58 . 1 . 1 22 22 VAL CB C 13 31.241 0.066 . 1 . . . . . 22 V CB 3 52138 1 59 . 1 . 1 22 22 VAL N N 15 121.755 0.041 . 1 . . . . . 22 V N 10 52138 1 60 . 1 . 1 23 23 ALA H H 1 8.409 0.004 . 1 . . . . . 23 A H 12 52138 1 61 . 1 . 1 23 23 ALA C C 13 178.284 0.000 . 1 . . . . . 23 A C 1 52138 1 62 . 1 . 1 23 23 ALA CA C 13 52.245 0.080 . 1 . . . . . 23 A CA 5 52138 1 63 . 1 . 1 23 23 ALA CB C 13 20.305 0.053 . 1 . . . . . 23 A CB 3 52138 1 64 . 1 . 1 23 23 ALA N N 15 131.981 0.043 . 1 . . . . . 23 A N 12 52138 1 65 . 1 . 1 24 24 GLY H H 1 8.577 0.003 . 1 . . . . . 24 G H 11 52138 1 66 . 1 . 1 24 24 GLY CA C 13 46.015 0.087 . 1 . . . . . 24 G CA 4 52138 1 67 . 1 . 1 24 24 GLY N N 15 107.332 0.058 . 1 . . . . . 24 G N 11 52138 1 68 . 1 . 1 25 25 GLN H H 1 8.151 0.003 . 1 . . . . . 25 Q H 5 52138 1 69 . 1 . 1 25 25 GLN C C 13 175.002 0.000 . 1 . . . . . 25 Q C 1 52138 1 70 . 1 . 1 25 25 GLN CA C 13 57.727 0.131 . 1 . . . . . 25 Q CA 4 52138 1 71 . 1 . 1 25 25 GLN CB C 13 29.152 0.111 . 1 . . . . . 25 Q CB 3 52138 1 72 . 1 . 1 25 25 GLN N N 15 117.470 0.081 . 1 . . . . . 25 Q N 5 52138 1 73 . 1 . 1 26 26 TRP H H 1 7.644 0.011 . 1 . . . . . 26 W H 11 52138 1 74 . 1 . 1 26 26 TRP C C 13 175.092 0.000 . 1 . . . . . 26 W C 1 52138 1 75 . 1 . 1 26 26 TRP CA C 13 56.083 0.127 . 1 . . . . . 26 W CA 5 52138 1 76 . 1 . 1 26 26 TRP CB C 13 29.465 0.039 . 1 . . . . . 26 W CB 3 52138 1 77 . 1 . 1 26 26 TRP N N 15 118.961 0.027 . 1 . . . . . 26 W N 11 52138 1 78 . 1 . 1 27 27 ARG H H 1 9.089 0.005 . 1 . . . . . 27 R H 12 52138 1 79 . 1 . 1 27 27 ARG C C 13 175.232 0.000 . 1 . . . . . 27 R C 1 52138 1 80 . 1 . 1 27 27 ARG CA C 13 53.762 0.143 . 1 . . . . . 27 R CA 5 52138 1 81 . 1 . 1 27 27 ARG CB C 13 34.816 0.065 . 1 . . . . . 27 R CB 3 52138 1 82 . 1 . 1 27 27 ARG N N 15 119.705 0.044 . 1 . . . . . 27 R N 12 52138 1 83 . 1 . 1 28 28 PHE H H 1 10.342 0.004 . 1 . . . . . 28 F H 12 52138 1 84 . 1 . 1 28 28 PHE C C 13 177.217 0.000 . 1 . . . . . 28 F C 1 52138 1 85 . 1 . 1 28 28 PHE CA C 13 58.944 0.143 . 1 . . . . . 28 F CA 5 52138 1 86 . 1 . 1 28 28 PHE CB C 13 40.035 0.017 . 1 . . . . . 28 F CB 3 52138 1 87 . 1 . 1 28 28 PHE N N 15 120.967 0.076 . 1 . . . . . 28 F N 12 52138 1 88 . 1 . 1 29 29 VAL H H 1 9.353 0.005 . 1 . . . . . 29 V H 12 52138 1 89 . 1 . 1 29 29 VAL C C 13 174.917 0.000 . 1 . . . . . 29 V C 1 52138 1 90 . 1 . 1 29 29 VAL CA C 13 59.625 0.089 . 1 . . . . . 29 V CA 5 52138 1 91 . 1 . 1 29 29 VAL CB C 13 36.075 0.036 . 1 . . . . . 29 V CB 3 52138 1 92 . 1 . 1 29 29 VAL N N 15 116.044 0.052 . 1 . . . . . 29 V N 12 52138 1 93 . 1 . 1 30 30 ASP H H 1 8.779 0.004 . 1 . . . . . 30 D H 12 52138 1 94 . 1 . 1 30 30 ASP C C 13 175.401 0.000 . 1 . . . . . 30 D C 1 52138 1 95 . 1 . 1 30 30 ASP CA C 13 56.130 0.039 . 1 . . . . . 30 D CA 5 52138 1 96 . 1 . 1 30 30 ASP CB C 13 42.678 0.126 . 1 . . . . . 30 D CB 3 52138 1 97 . 1 . 1 30 30 ASP N N 15 122.510 0.033 . 1 . . . . . 30 D N 12 52138 1 98 . 1 . 1 31 31 VAL H H 1 7.997 0.006 . 1 . . . . . 31 V H 12 52138 1 99 . 1 . 1 31 31 VAL C C 13 176.043 0.000 . 1 . . . . . 31 V C 1 52138 1 100 . 1 . 1 31 31 VAL CA C 13 61.890 0.018 . 1 . . . . . 31 V CA 5 52138 1 101 . 1 . 1 31 31 VAL CB C 13 32.226 0.037 . 1 . . . . . 31 V CB 3 52138 1 102 . 1 . 1 31 31 VAL N N 15 122.674 0.048 . 1 . . . . . 31 V N 12 52138 1 103 . 1 . 1 32 32 LEU H H 1 8.933 0.003 . 1 . . . . . 32 L H 11 52138 1 104 . 1 . 1 32 32 LEU C C 13 176.916 0.000 . 1 . . . . . 32 L C 1 52138 1 105 . 1 . 1 32 32 LEU CA C 13 56.873 0.108 . 1 . . . . . 32 L CA 5 52138 1 106 . 1 . 1 32 32 LEU CB C 13 41.426 0.062 . 1 . . . . . 32 L CB 3 52138 1 107 . 1 . 1 32 32 LEU N N 15 127.785 0.053 . 1 . . . . . 32 L N 11 52138 1 108 . 1 . 1 33 33 GLY H H 1 7.405 0.005 . 1 . . . . . 33 G H 11 52138 1 109 . 1 . 1 33 33 GLY C C 13 171.149 0.000 . 1 . . . . . 33 G C 1 52138 1 110 . 1 . 1 33 33 GLY CA C 13 44.854 0.090 . 1 . . . . . 33 G CA 5 52138 1 111 . 1 . 1 33 33 GLY N N 15 105.811 0.027 . 1 . . . . . 33 G N 11 52138 1 112 . 1 . 1 34 34 LEU H H 1 8.276 0.008 . 1 . . . . . 34 L H 10 52138 1 113 . 1 . 1 34 34 LEU C C 13 176.790 0.000 . 1 . . . . . 34 L C 1 52138 1 114 . 1 . 1 34 34 LEU CA C 13 53.604 0.148 . 1 . . . . . 34 L CA 5 52138 1 115 . 1 . 1 34 34 LEU CB C 13 42.834 0.040 . 1 . . . . . 34 L CB 3 52138 1 116 . 1 . 1 34 34 LEU N N 15 115.733 0.044 . 1 . . . . . 34 L N 10 52138 1 117 . 1 . 1 35 35 GLU H H 1 8.013 0.004 . 1 . . . . . 35 E H 12 52138 1 118 . 1 . 1 35 35 GLU C C 13 177.700 0.000 . 1 . . . . . 35 E C 1 52138 1 119 . 1 . 1 35 35 GLU CA C 13 56.493 0.035 . 1 . . . . . 35 E CA 5 52138 1 120 . 1 . 1 35 35 GLU CB C 13 29.209 0.134 . 1 . . . . . 35 E CB 3 52138 1 121 . 1 . 1 35 35 GLU N N 15 117.665 0.036 . 1 . . . . . 35 E N 12 52138 1 122 . 1 . 1 36 36 GLU H H 1 8.970 0.004 . 1 . . . . . 36 E H 12 52138 1 123 . 1 . 1 36 36 GLU C C 13 179.220 0.000 . 1 . . . . . 36 E C 1 52138 1 124 . 1 . 1 36 36 GLU CA C 13 60.853 0.155 . 1 . . . . . 36 E CA 5 52138 1 125 . 1 . 1 36 36 GLU CB C 13 29.720 0.094 . 1 . . . . . 36 E CB 3 52138 1 126 . 1 . 1 36 36 GLU N N 15 122.969 0.035 . 1 . . . . . 36 E N 12 52138 1 127 . 1 . 1 37 37 GLU H H 1 9.214 0.002 . 1 . . . . . 37 E H 12 52138 1 128 . 1 . 1 37 37 GLU C C 13 178.497 0.000 . 1 . . . . . 37 E C 1 52138 1 129 . 1 . 1 37 37 GLU CA C 13 59.386 0.104 . 1 . . . . . 37 E CA 5 52138 1 130 . 1 . 1 37 37 GLU CB C 13 28.870 0.058 . 1 . . . . . 37 E CB 3 52138 1 131 . 1 . 1 37 37 GLU N N 15 117.229 0.042 . 1 . . . . . 37 E N 12 52138 1 132 . 1 . 1 38 38 SER H H 1 7.608 0.006 . 1 . . . . . 38 S H 12 52138 1 133 . 1 . 1 38 38 SER C C 13 176.579 0.000 . 1 . . . . . 38 S C 1 52138 1 134 . 1 . 1 38 38 SER CA C 13 60.141 0.073 . 1 . . . . . 38 S CA 5 52138 1 135 . 1 . 1 38 38 SER CB C 13 63.327 0.041 . 1 . . . . . 38 S CB 3 52138 1 136 . 1 . 1 38 38 SER N N 15 115.377 0.026 . 1 . . . . . 38 S N 12 52138 1 137 . 1 . 1 39 39 LEU H H 1 7.707 0.005 . 1 . . . . . 39 L H 11 52138 1 138 . 1 . 1 39 39 LEU C C 13 179.125 0.000 . 1 . . . . . 39 L C 1 52138 1 139 . 1 . 1 39 39 LEU CA C 13 56.957 0.129 . 1 . . . . . 39 L CA 5 52138 1 140 . 1 . 1 39 39 LEU CB C 13 41.206 0.054 . 1 . . . . . 39 L CB 3 52138 1 141 . 1 . 1 39 39 LEU N N 15 121.196 0.021 . 1 . . . . . 39 L N 11 52138 1 142 . 1 . 1 40 40 GLY H H 1 8.039 0.005 . 1 . . . . . 40 G H 11 52138 1 143 . 1 . 1 40 40 GLY C C 13 174.295 0.000 . 1 . . . . . 40 G C 1 52138 1 144 . 1 . 1 40 40 GLY CA C 13 46.428 0.073 . 1 . . . . . 40 G CA 5 52138 1 145 . 1 . 1 40 40 GLY N N 15 105.634 0.068 . 1 . . . . . 40 G N 11 52138 1 146 . 1 . 1 41 41 SER H H 1 7.449 0.003 . 1 . . . . . 41 S H 10 52138 1 147 . 1 . 1 41 41 SER C C 13 174.468 0.000 . 1 . . . . . 41 S C 1 52138 1 148 . 1 . 1 41 41 SER CA C 13 58.714 0.128 . 1 . . . . . 41 S CA 5 52138 1 149 . 1 . 1 41 41 SER CB C 13 63.853 0.056 . 1 . . . . . 41 S CB 3 52138 1 150 . 1 . 1 41 41 SER N N 15 112.918 0.028 . 1 . . . . . 41 S N 10 52138 1 151 . 1 . 1 42 42 VAL H H 1 7.324 0.005 . 1 . . . . . 42 V H 12 52138 1 152 . 1 . 1 42 42 VAL CA C 13 60.628 0.046 . 1 . . . . . 42 V CA 2 52138 1 153 . 1 . 1 42 42 VAL CB C 13 32.462 0.000 . 1 . . . . . 42 V CB 1 52138 1 154 . 1 . 1 42 42 VAL N N 15 125.792 0.053 . 1 . . . . . 42 V N 12 52138 1 155 . 1 . 1 43 43 PRO C C 13 173.826 0.000 . 1 . . . . . 43 P C 1 52138 1 156 . 1 . 1 43 43 PRO CA C 13 63.763 0.025 . 1 . . . . . 43 P CA 3 52138 1 157 . 1 . 1 43 43 PRO CB C 13 32.171 0.115 . 1 . . . . . 43 P CB 2 52138 1 158 . 1 . 1 44 44 ALA H H 1 8.009 0.002 . 1 . . . . . 44 A H 11 52138 1 159 . 1 . 1 44 44 ALA CA C 13 48.748 0.001 . 1 . . . . . 44 A CA 2 52138 1 160 . 1 . 1 44 44 ALA CB C 13 20.309 0.000 . 1 . . . . . 44 A CB 1 52138 1 161 . 1 . 1 44 44 ALA N N 15 123.126 0.028 . 1 . . . . . 44 A N 11 52138 1 162 . 1 . 1 45 45 PRO C C 13 174.356 0.000 . 1 . . . . . 45 P C 1 52138 1 163 . 1 . 1 45 45 PRO CA C 13 62.556 0.185 . 1 . . . . . 45 P CA 3 52138 1 164 . 1 . 1 45 45 PRO CB C 13 35.156 0.023 . 1 . . . . . 45 P CB 2 52138 1 165 . 1 . 1 46 46 ALA H H 1 8.487 0.004 . 1 . . . . . 46 A H 12 52138 1 166 . 1 . 1 46 46 ALA C C 13 177.473 0.000 . 1 . . . . . 46 A C 1 52138 1 167 . 1 . 1 46 46 ALA CA C 13 50.753 0.042 . 1 . . . . . 46 A CA 5 52138 1 168 . 1 . 1 46 46 ALA CB C 13 22.246 0.056 . 1 . . . . . 46 A CB 3 52138 1 169 . 1 . 1 46 46 ALA N N 15 121.810 0.040 . 1 . . . . . 46 A N 12 52138 1 170 . 1 . 1 47 47 CYS H H 1 9.030 0.006 . 1 . . . . . 47 C H 12 52138 1 171 . 1 . 1 47 47 CYS C C 13 173.103 0.000 . 1 . . . . . 47 C C 1 52138 1 172 . 1 . 1 47 47 CYS CA C 13 56.386 0.022 . 1 . . . . . 47 C CA 5 52138 1 173 . 1 . 1 47 47 CYS CB C 13 30.424 0.051 . 1 . . . . . 47 C CB 3 52138 1 174 . 1 . 1 47 47 CYS N N 15 113.677 0.049 . 1 . . . . . 47 C N 12 52138 1 175 . 1 . 1 48 48 ALA H H 1 7.416 0.002 . 1 . . . . . 48 A H 11 52138 1 176 . 1 . 1 48 48 ALA C C 13 175.071 0.000 . 1 . . . . . 48 A C 1 52138 1 177 . 1 . 1 48 48 ALA CA C 13 52.631 0.124 . 1 . . . . . 48 A CA 5 52138 1 178 . 1 . 1 48 48 ALA CB C 13 23.071 0.016 . 1 . . . . . 48 A CB 3 52138 1 179 . 1 . 1 48 48 ALA N N 15 121.609 0.038 . 1 . . . . . 48 A N 11 52138 1 180 . 1 . 1 49 49 LEU H H 1 8.535 0.012 . 1 . . . . . 49 L H 12 52138 1 181 . 1 . 1 49 49 LEU C C 13 173.875 0.000 . 1 . . . . . 49 L C 1 52138 1 182 . 1 . 1 49 49 LEU CA C 13 54.276 0.033 . 1 . . . . . 49 L CA 5 52138 1 183 . 1 . 1 49 49 LEU CB C 13 45.773 0.030 . 1 . . . . . 49 L CB 3 52138 1 184 . 1 . 1 49 49 LEU N N 15 123.257 0.033 . 1 . . . . . 49 L N 12 52138 1 185 . 1 . 1 50 50 LEU H H 1 9.760 0.010 . 1 . . . . . 50 L H 11 52138 1 186 . 1 . 1 50 50 LEU CA C 13 55.577 0.000 . 1 . . . . . 50 L CA 1 52138 1 187 . 1 . 1 50 50 LEU CB C 13 43.891 0.000 . 1 . . . . . 50 L CB 1 52138 1 188 . 1 . 1 50 50 LEU N N 15 127.308 0.072 . 1 . . . . . 50 L N 11 52138 1 189 . 1 . 1 54 54 PRO C C 13 175.605 0.000 . 1 . . . . . 54 P C 1 52138 1 190 . 1 . 1 54 54 PRO CA C 13 62.191 0.000 . 1 . . . . . 54 P CA 0 52138 1 191 . 1 . 1 54 54 PRO CB C 13 33.163 0.000 . 1 . . . . . 54 P CB 0 52138 1 192 . 1 . 1 57 57 ALA H H 1 8.944 0.007 . 1 . . . . . 57 A H 2 52138 1 193 . 1 . 1 57 57 ALA C C 13 180.523 0.000 . 1 . . . . . 57 A C 1 52138 1 194 . 1 . 1 57 57 ALA CA C 13 55.326 0.173 . 1 . . . . . 57 A CA 3 52138 1 195 . 1 . 1 57 57 ALA CB C 13 17.901 0.009 . 1 . . . . . 57 A CB 2 52138 1 196 . 1 . 1 57 57 ALA N N 15 124.119 0.016 . 1 . . . . . 57 A N 2 52138 1 197 . 1 . 1 69 69 GLU H H 1 7.829 0.004 . 1 . . . . . 69 E H 11 52138 1 198 . 1 . 1 69 69 GLU C C 13 178.243 0.000 . 1 . . . . . 69 E C 1 52138 1 199 . 1 . 1 69 69 GLU CA C 13 58.145 0.115 . 1 . . . . . 69 E CA 5 52138 1 200 . 1 . 1 69 69 GLU CB C 13 29.909 0.130 . 1 . . . . . 69 E CB 4 52138 1 201 . 1 . 1 69 69 GLU N N 15 117.718 0.052 . 1 . . . . . 69 E N 11 52138 1 202 . 1 . 1 70 70 LEU H H 1 7.830 0.011 . 1 . . . . . 70 L H 11 52138 1 203 . 1 . 1 70 70 LEU C C 13 177.070 0.000 . 1 . . . . . 70 L C 1 52138 1 204 . 1 . 1 70 70 LEU CA C 13 55.019 0.096 . 1 . . . . . 70 L CA 5 52138 1 205 . 1 . 1 70 70 LEU CB C 13 42.011 0.040 . 1 . . . . . 70 L CB 3 52138 1 206 . 1 . 1 70 70 LEU N N 15 118.513 0.071 . 1 . . . . . 70 L N 11 52138 1 207 . 1 . 1 71 71 LYS H H 1 7.337 0.012 . 1 . . . . . 71 K H 11 52138 1 208 . 1 . 1 71 71 LYS C C 13 177.196 0.000 . 1 . . . . . 71 K C 1 52138 1 209 . 1 . 1 71 71 LYS CA C 13 58.409 0.066 . 1 . . . . . 71 K CA 5 52138 1 210 . 1 . 1 71 71 LYS CB C 13 32.320 0.049 . 1 . . . . . 71 K CB 3 52138 1 211 . 1 . 1 71 71 LYS N N 15 120.004 0.018 . 1 . . . . . 71 K N 11 52138 1 212 . 1 . 1 72 72 GLY H H 1 8.585 0.005 . 1 . . . . . 72 G H 10 52138 1 213 . 1 . 1 72 72 GLY C C 13 174.774 0.000 . 1 . . . . . 72 G C 1 52138 1 214 . 1 . 1 72 72 GLY CA C 13 45.131 0.022 . 1 . . . . . 72 G CA 5 52138 1 215 . 1 . 1 72 72 GLY N N 15 110.783 0.022 . 1 . . . . . 72 G N 10 52138 1 216 . 1 . 1 73 73 GLN H H 1 7.635 0.007 . 1 . . . . . 73 Q H 10 52138 1 217 . 1 . 1 73 73 GLN C C 13 175.203 0.000 . 1 . . . . . 73 Q C 1 52138 1 218 . 1 . 1 73 73 GLN CA C 13 55.971 0.096 . 1 . . . . . 73 Q CA 4 52138 1 219 . 1 . 1 73 73 GLN CB C 13 28.581 0.013 . 1 . . . . . 73 Q CB 3 52138 1 220 . 1 . 1 73 73 GLN N N 15 119.484 0.064 . 1 . . . . . 73 Q N 10 52138 1 221 . 1 . 1 74 74 GLU H H 1 8.601 0.007 . 1 . . . . . 74 E H 11 52138 1 222 . 1 . 1 74 74 GLU C C 13 175.435 0.000 . 1 . . . . . 74 E C 1 52138 1 223 . 1 . 1 74 74 GLU CA C 13 56.058 0.053 . 1 . . . . . 74 E CA 5 52138 1 224 . 1 . 1 74 74 GLU CB C 13 30.599 0.108 . 1 . . . . . 74 E CB 3 52138 1 225 . 1 . 1 74 74 GLU N N 15 123.771 0.110 . 1 . . . . . 74 E N 11 52138 1 226 . 1 . 1 75 75 VAL H H 1 8.297 0.003 . 1 . . . . . 75 V H 11 52138 1 227 . 1 . 1 75 75 VAL C C 13 175.494 0.000 . 1 . . . . . 75 V C 1 52138 1 228 . 1 . 1 75 75 VAL CA C 13 60.892 0.168 . 1 . . . . . 75 V CA 5 52138 1 229 . 1 . 1 75 75 VAL CB C 13 34.258 0.065 . 1 . . . . . 75 V CB 3 52138 1 230 . 1 . 1 75 75 VAL N N 15 123.237 0.049 . 1 . . . . . 75 V N 11 52138 1 231 . 1 . 1 76 76 SER H H 1 7.973 0.010 . 1 . . . . . 76 S H 11 52138 1 232 . 1 . 1 76 76 SER CA C 13 62.378 0.000 . 1 . . . . . 76 S CA 1 52138 1 233 . 1 . 1 76 76 SER CB C 13 63.756 0.000 . 1 . . . . . 76 S CB 1 52138 1 234 . 1 . 1 76 76 SER N N 15 121.185 0.052 . 1 . . . . . 76 S N 11 52138 1 235 . 1 . 1 77 77 PRO C C 13 176.570 0.000 . 1 . . . . . 77 P C 1 52138 1 236 . 1 . 1 77 77 PRO CA C 13 63.843 0.043 . 1 . . . . . 77 P CA 3 52138 1 237 . 1 . 1 77 77 PRO CB C 13 32.190 0.115 . 1 . . . . . 77 P CB 2 52138 1 238 . 1 . 1 78 78 LYS H H 1 8.124 0.004 . 1 . . . . . 78 K H 12 52138 1 239 . 1 . 1 78 78 LYS C C 13 177.770 0.000 . 1 . . . . . 78 K C 1 52138 1 240 . 1 . 1 78 78 LYS CA C 13 56.921 0.106 . 1 . . . . . 78 K CA 5 52138 1 241 . 1 . 1 78 78 LYS CB C 13 33.110 0.055 . 1 . . . . . 78 K CB 3 52138 1 242 . 1 . 1 78 78 LYS N N 15 116.421 0.039 . 1 . . . . . 78 K N 12 52138 1 243 . 1 . 1 79 79 VAL H H 1 7.125 0.006 . 1 . . . . . 79 V H 11 52138 1 244 . 1 . 1 79 79 VAL C C 13 175.015 0.000 . 1 . . . . . 79 V C 1 52138 1 245 . 1 . 1 79 79 VAL CA C 13 63.560 0.020 . 1 . . . . . 79 V CA 5 52138 1 246 . 1 . 1 79 79 VAL CB C 13 31.572 0.091 . 1 . . . . . 79 V CB 3 52138 1 247 . 1 . 1 79 79 VAL N N 15 118.268 0.054 . 1 . . . . . 79 V N 11 52138 1 248 . 1 . 1 80 80 TYR H H 1 9.574 0.003 . 1 . . . . . 80 Y H 11 52138 1 249 . 1 . 1 80 80 TYR C C 13 173.463 0.000 . 1 . . . . . 80 Y C 1 52138 1 250 . 1 . 1 80 80 TYR CA C 13 58.739 0.097 . 1 . . . . . 80 Y CA 5 52138 1 251 . 1 . 1 80 80 TYR CB C 13 38.321 0.072 . 1 . . . . . 80 Y CB 3 52138 1 252 . 1 . 1 80 80 TYR N N 15 133.646 0.045 . 1 . . . . . 80 Y N 11 52138 1 253 . 1 . 1 81 81 PHE H H 1 6.878 0.003 . 1 . . . . . 81 F H 11 52138 1 254 . 1 . 1 81 81 PHE C C 13 171.931 0.000 . 1 . . . . . 81 F C 1 52138 1 255 . 1 . 1 81 81 PHE CA C 13 55.415 0.158 . 1 . . . . . 81 F CA 3 52138 1 256 . 1 . 1 81 81 PHE CB C 13 43.480 0.096 . 1 . . . . . 81 F CB 3 52138 1 257 . 1 . 1 81 81 PHE N N 15 128.925 0.060 . 1 . . . . . 81 F N 11 52138 1 258 . 1 . 1 82 82 MET H H 1 11.977 0.006 . 1 . . . . . 82 M H 11 52138 1 259 . 1 . 1 82 82 MET C C 13 170.652 0.000 . 1 . . . . . 82 M C 1 52138 1 260 . 1 . 1 82 82 MET CA C 13 53.680 0.115 . 1 . . . . . 82 M CA 6 52138 1 261 . 1 . 1 82 82 MET CB C 13 38.871 0.112 . 1 . . . . . 82 M CB 3 52138 1 262 . 1 . 1 82 82 MET N N 15 133.357 0.099 . 1 . . . . . 82 M N 11 52138 1 263 . 1 . 1 83 83 LYS H H 1 5.757 0.004 . 1 . . . . . 83 K H 11 52138 1 264 . 1 . 1 83 83 LYS CA C 13 54.133 0.013 . 1 . . . . . 83 K CA 2 52138 1 265 . 1 . 1 83 83 LYS CB C 13 32.688 0.000 . 1 . . . . . 83 K CB 1 52138 1 266 . 1 . 1 83 83 LYS N N 15 114.609 0.033 . 1 . . . . . 83 K N 11 52138 1 267 . 1 . 1 87 87 GLY H H 1 9.142 0.014 . 1 . . . . . 87 G H 2 52138 1 268 . 1 . 1 87 87 GLY N N 15 117.328 0.061 . 1 . . . . . 87 G N 2 52138 1 269 . 1 . 1 88 88 ASN H H 1 8.941 0.000 . 1 . . . . . 88 N H 0 52138 1 270 . 1 . 1 88 88 ASN N N 15 115.280 0.000 . 1 . . . . . 88 N N 0 52138 1 271 . 1 . 1 93 93 ILE H H 1 8.742 0.032 . 1 . . . . . 93 I H 5 52138 1 272 . 1 . 1 93 93 ILE C C 13 177.274 0.000 . 1 . . . . . 93 I C 1 52138 1 273 . 1 . 1 93 93 ILE CA C 13 63.596 0.086 . 1 . . . . . 93 I CA 5 52138 1 274 . 1 . 1 93 93 ILE CB C 13 37.408 0.000 . 1 . . . . . 93 I CB 0 52138 1 275 . 1 . 1 93 93 ILE N N 15 121.191 0.066 . 1 . . . . . 93 I N 5 52138 1 276 . 1 . 1 94 94 GLY H H 1 8.016 0.003 . 1 . . . . . 94 G H 9 52138 1 277 . 1 . 1 94 94 GLY C C 13 174.570 0.000 . 1 . . . . . 94 G C 1 52138 1 278 . 1 . 1 94 94 GLY CA C 13 47.410 0.051 . 1 . . . . . 94 G CA 5 52138 1 279 . 1 . 1 94 94 GLY N N 15 107.726 0.042 . 1 . . . . . 94 G N 9 52138 1 280 . 1 . 1 95 95 LEU H H 1 7.977 0.011 . 1 . . . . . 95 L H 10 52138 1 281 . 1 . 1 95 95 LEU C C 13 176.175 0.000 . 1 . . . . . 95 L C 1 52138 1 282 . 1 . 1 95 95 LEU CA C 13 60.281 0.052 . 1 . . . . . 95 L CA 5 52138 1 283 . 1 . 1 95 95 LEU CB C 13 42.349 0.114 . 1 . . . . . 95 L CB 3 52138 1 284 . 1 . 1 95 95 LEU N N 15 122.240 0.029 . 1 . . . . . 95 L N 10 52138 1 285 . 1 . 1 96 96 ILE H H 1 8.734 0.006 . 1 . . . . . 96 I H 11 52138 1 286 . 1 . 1 96 96 ILE C C 13 177.871 0.000 . 1 . . . . . 96 I C 1 52138 1 287 . 1 . 1 96 96 ILE CA C 13 67.399 0.052 . 1 . . . . . 96 I CA 5 52138 1 288 . 1 . 1 96 96 ILE CB C 13 37.342 0.105 . 1 . . . . . 96 I CB 3 52138 1 289 . 1 . 1 96 96 ILE N N 15 121.178 0.078 . 1 . . . . . 96 I N 11 52138 1 290 . 1 . 1 97 97 HIS H H 1 9.068 0.004 . 1 . . . . . 97 H H 11 52138 1 291 . 1 . 1 97 97 HIS C C 13 178.143 0.000 . 1 . . . . . 97 H C 1 52138 1 292 . 1 . 1 97 97 HIS CA C 13 59.641 0.114 . 1 . . . . . 97 H CA 5 52138 1 293 . 1 . 1 97 97 HIS CB C 13 30.077 0.126 . 1 . . . . . 97 H CB 3 52138 1 294 . 1 . 1 97 97 HIS N N 15 118.262 0.053 . 1 . . . . . 97 H N 11 52138 1 295 . 1 . 1 98 98 ALA H H 1 8.653 0.004 . 1 . . . . . 98 A H 11 52138 1 296 . 1 . 1 98 98 ALA C C 13 177.507 0.000 . 1 . . . . . 98 A C 1 52138 1 297 . 1 . 1 98 98 ALA CA C 13 54.948 0.087 . 1 . . . . . 98 A CA 5 52138 1 298 . 1 . 1 98 98 ALA CB C 13 17.744 0.012 . 1 . . . . . 98 A CB 3 52138 1 299 . 1 . 1 98 98 ALA N N 15 123.268 0.046 . 1 . . . . . 98 A N 11 52138 1 300 . 1 . 1 99 99 VAL H H 1 8.400 0.004 . 1 . . . . . 99 V H 10 52138 1 301 . 1 . 1 99 99 VAL C C 13 178.463 0.000 . 1 . . . . . 99 V C 1 52138 1 302 . 1 . 1 99 99 VAL CA C 13 65.642 0.016 . 1 . . . . . 99 V CA 5 52138 1 303 . 1 . 1 99 99 VAL CB C 13 31.956 0.099 . 1 . . . . . 99 V CB 3 52138 1 304 . 1 . 1 99 99 VAL N N 15 117.392 0.059 . 1 . . . . . 99 V N 10 52138 1 305 . 1 . 1 100 100 ALA H H 1 9.304 0.002 . 1 . . . . . 100 A H 11 52138 1 306 . 1 . 1 100 100 ALA C C 13 179.725 0.000 . 1 . . . . . 100 A C 1 52138 1 307 . 1 . 1 100 100 ALA CA C 13 54.481 0.017 . 1 . . . . . 100 A CA 5 52138 1 308 . 1 . 1 100 100 ALA CB C 13 20.859 0.030 . 1 . . . . . 100 A CB 3 52138 1 309 . 1 . 1 100 100 ALA N N 15 118.672 0.017 . 1 . . . . . 100 A N 11 52138 1 310 . 1 . 1 101 101 ASN H H 1 7.181 0.002 . 1 . . . . . 101 N H 12 52138 1 311 . 1 . 1 101 101 ASN C C 13 173.152 0.000 . 1 . . . . . 101 N C 1 52138 1 312 . 1 . 1 101 101 ASN CA C 13 54.473 0.138 . 1 . . . . . 101 N CA 5 52138 1 313 . 1 . 1 101 101 ASN CB C 13 39.582 0.059 . 1 . . . . . 101 N CB 3 52138 1 314 . 1 . 1 101 101 ASN N N 15 109.533 0.053 . 1 . . . . . 101 N N 12 52138 1 315 . 1 . 1 102 102 ASN H H 1 7.674 0.013 . 1 . . . . . 102 N H 11 52138 1 316 . 1 . 1 102 102 ASN C C 13 176.007 0.000 . 1 . . . . . 102 N C 1 52138 1 317 . 1 . 1 102 102 ASN CA C 13 54.112 0.135 . 1 . . . . . 102 N CA 4 52138 1 318 . 1 . 1 102 102 ASN CB C 13 40.853 0.078 . 1 . . . . . 102 N CB 3 52138 1 319 . 1 . 1 102 102 ASN N N 15 118.899 0.033 . 1 . . . . . 102 N N 11 52138 1 320 . 1 . 1 103 103 GLN H H 1 8.325 0.007 . 1 . . . . . 103 Q H 10 52138 1 321 . 1 . 1 103 103 GLN C C 13 175.396 0.000 . 1 . . . . . 103 Q C 1 52138 1 322 . 1 . 1 103 103 GLN CA C 13 60.051 0.036 . 1 . . . . . 103 Q CA 6 52138 1 323 . 1 . 1 103 103 GLN CB C 13 29.671 0.024 . 1 . . . . . 103 Q CB 3 52138 1 324 . 1 . 1 103 103 GLN N N 15 120.470 0.138 . 1 . . . . . 103 Q N 10 52138 1 325 . 1 . 1 104 104 ASP H H 1 9.122 0.004 . 1 . . . . . 104 D H 12 52138 1 326 . 1 . 1 104 104 ASP C C 13 176.360 0.000 . 1 . . . . . 104 D C 1 52138 1 327 . 1 . 1 104 104 ASP CA C 13 54.917 0.084 . 1 . . . . . 104 D CA 5 52138 1 328 . 1 . 1 104 104 ASP CB C 13 39.458 0.050 . 1 . . . . . 104 D CB 3 52138 1 329 . 1 . 1 104 104 ASP N N 15 115.361 0.032 . 1 . . . . . 104 D N 12 52138 1 330 . 1 . 1 105 105 LYS H H 1 7.440 0.004 . 1 . . . . . 105 K H 12 52138 1 331 . 1 . 1 105 105 LYS C C 13 175.539 0.000 . 1 . . . . . 105 K C 1 52138 1 332 . 1 . 1 105 105 LYS CA C 13 56.813 0.095 . 1 . . . . . 105 K CA 5 52138 1 333 . 1 . 1 105 105 LYS CB C 13 34.502 0.037 . 1 . . . . . 105 K CB 3 52138 1 334 . 1 . 1 105 105 LYS N N 15 117.699 0.057 . 1 . . . . . 105 K N 12 52138 1 335 . 1 . 1 106 106 LEU H H 1 7.028 0.006 . 1 . . . . . 106 L H 12 52138 1 336 . 1 . 1 106 106 LEU C C 13 175.068 0.000 . 1 . . . . . 106 L C 1 52138 1 337 . 1 . 1 106 106 LEU CA C 13 54.937 0.087 . 1 . . . . . 106 L CA 5 52138 1 338 . 1 . 1 106 106 LEU CB C 13 42.988 0.082 . 1 . . . . . 106 L CB 3 52138 1 339 . 1 . 1 106 106 LEU N N 15 119.635 0.060 . 1 . . . . . 106 L N 12 52138 1 340 . 1 . 1 107 107 GLY H H 1 7.451 0.005 . 1 . . . . . 107 G H 11 52138 1 341 . 1 . 1 107 107 GLY C C 13 172.205 0.000 . 1 . . . . . 107 G C 1 52138 1 342 . 1 . 1 107 107 GLY CA C 13 43.708 0.089 . 1 . . . . . 107 G CA 5 52138 1 343 . 1 . 1 107 107 GLY N N 15 106.063 0.047 . 1 . . . . . 107 G N 11 52138 1 344 . 1 . 1 108 108 PHE H H 1 8.554 0.003 . 1 . . . . . 108 F H 10 52138 1 345 . 1 . 1 108 108 PHE C C 13 176.649 0.000 . 1 . . . . . 108 F C 1 52138 1 346 . 1 . 1 108 108 PHE CA C 13 57.060 0.118 . 1 . . . . . 108 F CA 5 52138 1 347 . 1 . 1 108 108 PHE CB C 13 43.153 0.132 . 1 . . . . . 108 F CB 3 52138 1 348 . 1 . 1 108 108 PHE N N 15 115.784 0.045 . 1 . . . . . 108 F N 10 52138 1 349 . 1 . 1 109 109 GLU H H 1 9.145 0.004 . 1 . . . . . 109 E H 12 52138 1 350 . 1 . 1 109 109 GLU C C 13 177.611 0.000 . 1 . . . . . 109 E C 1 52138 1 351 . 1 . 1 109 109 GLU CA C 13 55.165 0.108 . 1 . . . . . 109 E CA 5 52138 1 352 . 1 . 1 109 109 GLU CB C 13 30.743 0.028 . 1 . . . . . 109 E CB 3 52138 1 353 . 1 . 1 109 109 GLU N N 15 122.219 0.043 . 1 . . . . . 109 E N 12 52138 1 354 . 1 . 1 110 110 ASP H H 1 9.026 0.002 . 1 . . . . . 110 D H 12 52138 1 355 . 1 . 1 110 110 ASP CA C 13 56.426 0.000 . 1 . . . . . 110 D CA 2 52138 1 356 . 1 . 1 110 110 ASP CB C 13 40.370 0.000 . 1 . . . . . 110 D CB 1 52138 1 357 . 1 . 1 110 110 ASP N N 15 123.923 0.025 . 1 . . . . . 110 D N 12 52138 1 358 . 1 . 1 111 111 GLY H H 1 8.886 0.000 . 1 . . . . . 111 G H 0 52138 1 359 . 1 . 1 111 111 GLY C C 13 174.656 0.000 . 1 . . . . . 111 G C 1 52138 1 360 . 1 . 1 111 111 GLY CA C 13 45.382 0.038 . 1 . . . . . 111 G CA 3 52138 1 361 . 1 . 1 111 111 GLY N N 15 112.990 0.000 . 1 . . . . . 111 G N 0 52138 1 362 . 1 . 1 112 112 SER H H 1 7.492 0.009 . 1 . . . . . 112 S H 10 52138 1 363 . 1 . 1 112 112 SER C C 13 177.851 0.000 . 1 . . . . . 112 S C 1 52138 1 364 . 1 . 1 112 112 SER CA C 13 58.068 0.056 . 1 . . . . . 112 S CA 5 52138 1 365 . 1 . 1 112 112 SER CB C 13 64.544 0.106 . 1 . . . . . 112 S CB 2 52138 1 366 . 1 . 1 112 112 SER N N 15 112.090 0.059 . 1 . . . . . 112 S N 10 52138 1 367 . 1 . 1 113 113 VAL H H 1 8.987 0.005 . 1 . . . . . 113 V H 11 52138 1 368 . 1 . 1 113 113 VAL C C 13 178.926 0.000 . 1 . . . . . 113 V C 1 52138 1 369 . 1 . 1 113 113 VAL CA C 13 64.790 0.174 . 1 . . . . . 113 V CA 3 52138 1 370 . 1 . 1 113 113 VAL CB C 13 32.207 0.048 . 1 . . . . . 113 V CB 3 52138 1 371 . 1 . 1 113 113 VAL N N 15 128.865 0.039 . 1 . . . . . 113 V N 11 52138 1 372 . 1 . 1 114 114 LEU H H 1 7.866 0.002 . 1 . . . . . 114 L H 10 52138 1 373 . 1 . 1 114 114 LEU C C 13 176.881 0.000 . 1 . . . . . 114 L C 1 52138 1 374 . 1 . 1 114 114 LEU CA C 13 57.020 0.124 . 1 . . . . . 114 L CA 5 52138 1 375 . 1 . 1 114 114 LEU CB C 13 42.491 0.055 . 1 . . . . . 114 L CB 3 52138 1 376 . 1 . 1 114 114 LEU N N 15 121.293 0.072 . 1 . . . . . 114 L N 10 52138 1 377 . 1 . 1 115 115 LYS H H 1 7.919 0.004 . 1 . . . . . 115 K H 12 52138 1 378 . 1 . 1 115 115 LYS C C 13 177.960 0.000 . 1 . . . . . 115 K C 1 52138 1 379 . 1 . 1 115 115 LYS CA C 13 59.081 0.148 . 1 . . . . . 115 K CA 5 52138 1 380 . 1 . 1 115 115 LYS CB C 13 31.648 0.067 . 1 . . . . . 115 K CB 3 52138 1 381 . 1 . 1 115 115 LYS N N 15 121.404 0.031 . 1 . . . . . 115 K N 12 52138 1 382 . 1 . 1 116 116 GLN H H 1 7.130 0.003 . 1 . . . . . 116 Q H 12 52138 1 383 . 1 . 1 116 116 GLN C C 13 177.728 0.000 . 1 . . . . . 116 Q C 1 52138 1 384 . 1 . 1 116 116 GLN CA C 13 59.127 0.143 . 1 . . . . . 116 Q CA 5 52138 1 385 . 1 . 1 116 116 GLN CB C 13 28.108 0.059 . 1 . . . . . 116 Q CB 3 52138 1 386 . 1 . 1 116 116 GLN N N 15 116.496 0.031 . 1 . . . . . 116 Q N 12 52138 1 387 . 1 . 1 117 117 PHE H H 1 7.726 0.003 . 1 . . . . . 117 F H 12 52138 1 388 . 1 . 1 117 117 PHE C C 13 179.139 0.000 . 1 . . . . . 117 F C 1 52138 1 389 . 1 . 1 117 117 PHE CA C 13 61.451 0.068 . 1 . . . . . 117 F CA 4 52138 1 390 . 1 . 1 117 117 PHE CB C 13 40.023 0.043 . 1 . . . . . 117 F CB 3 52138 1 391 . 1 . 1 117 117 PHE N N 15 120.269 0.029 . 1 . . . . . 117 F N 12 52138 1 392 . 1 . 1 118 118 LEU H H 1 8.808 0.005 . 1 . . . . . 118 L H 11 52138 1 393 . 1 . 1 118 118 LEU C C 13 178.465 0.000 . 1 . . . . . 118 L C 1 52138 1 394 . 1 . 1 118 118 LEU CA C 13 57.824 0.057 . 1 . . . . . 118 L CA 5 52138 1 395 . 1 . 1 118 118 LEU CB C 13 39.956 0.030 . 1 . . . . . 118 L CB 3 52138 1 396 . 1 . 1 118 118 LEU N N 15 122.105 0.054 . 1 . . . . . 118 L N 11 52138 1 397 . 1 . 1 119 119 SER H H 1 8.039 0.002 . 1 . . . . . 119 S H 12 52138 1 398 . 1 . 1 119 119 SER CA C 13 61.442 0.059 . 1 . . . . . 119 S CA 4 52138 1 399 . 1 . 1 119 119 SER CB C 13 62.729 0.026 . 1 . . . . . 119 S CB 3 52138 1 400 . 1 . 1 119 119 SER N N 15 115.002 0.054 . 1 . . . . . 119 S N 12 52138 1 401 . 1 . 1 120 120 GLU H H 1 8.113 0.001 . 1 . . . . . 120 E H 7 52138 1 402 . 1 . 1 120 120 GLU C C 13 178.944 0.000 . 1 . . . . . 120 E C 1 52138 1 403 . 1 . 1 120 120 GLU CA C 13 58.975 0.130 . 1 . . . . . 120 E CA 4 52138 1 404 . 1 . 1 120 120 GLU CB C 13 30.104 0.036 . 1 . . . . . 120 E CB 3 52138 1 405 . 1 . 1 120 120 GLU N N 15 120.747 0.058 . 1 . . . . . 120 E N 7 52138 1 406 . 1 . 1 121 121 THR H H 1 7.426 0.005 . 1 . . . . . 121 T H 12 52138 1 407 . 1 . 1 121 121 THR C C 13 176.290 0.000 . 1 . . . . . 121 T C 1 52138 1 408 . 1 . 1 121 121 THR CA C 13 60.950 0.165 . 1 . . . . . 121 T CA 5 52138 1 409 . 1 . 1 121 121 THR CB C 13 70.589 0.153 . 1 . . . . . 121 T CB 3 52138 1 410 . 1 . 1 121 121 THR N N 15 103.709 0.038 . 1 . . . . . 121 T N 12 52138 1 411 . 1 . 1 122 122 GLU H H 1 7.327 0.006 . 1 . . . . . 122 E H 11 52138 1 412 . 1 . 1 122 122 GLU C C 13 177.076 0.000 . 1 . . . . . 122 E C 1 52138 1 413 . 1 . 1 122 122 GLU CA C 13 60.954 0.142 . 1 . . . . . 122 E CA 4 52138 1 414 . 1 . 1 122 122 GLU CB C 13 30.573 0.149 . 1 . . . . . 122 E CB 3 52138 1 415 . 1 . 1 122 122 GLU N N 15 126.246 0.069 . 1 . . . . . 122 E N 11 52138 1 416 . 1 . 1 123 123 LYS H H 1 8.834 0.003 . 1 . . . . . 123 K H 12 52138 1 417 . 1 . 1 123 123 LYS C C 13 175.595 0.000 . 1 . . . . . 123 K C 1 52138 1 418 . 1 . 1 123 123 LYS CA C 13 54.818 0.081 . 1 . . . . . 123 K CA 4 52138 1 419 . 1 . 1 123 123 LYS CB C 13 31.878 0.046 . 1 . . . . . 123 K CB 3 52138 1 420 . 1 . 1 123 123 LYS N N 15 117.350 0.049 . 1 . . . . . 123 K N 12 52138 1 421 . 1 . 1 124 124 MET H H 1 6.803 0.003 . 1 . . . . . 124 M H 11 52138 1 422 . 1 . 1 124 124 MET C C 13 174.984 0.000 . 1 . . . . . 124 M C 1 52138 1 423 . 1 . 1 124 124 MET CA C 13 55.624 0.120 . 1 . . . . . 124 M CA 5 52138 1 424 . 1 . 1 124 124 MET CB C 13 36.556 0.108 . 1 . . . . . 124 M CB 3 52138 1 425 . 1 . 1 124 124 MET N N 15 119.019 0.041 . 1 . . . . . 124 M N 11 52138 1 426 . 1 . 1 125 125 SER H H 1 8.996 0.006 . 1 . . . . . 125 S H 12 52138 1 427 . 1 . 1 125 125 SER CA C 13 56.332 0.066 . 1 . . . . . 125 S CA 2 52138 1 428 . 1 . 1 125 125 SER CB C 13 63.069 0.000 . 1 . . . . . 125 S CB 1 52138 1 429 . 1 . 1 125 125 SER N N 15 116.413 0.044 . 1 . . . . . 125 S N 12 52138 1 430 . 1 . 1 126 126 PRO C C 13 179.482 0.000 . 1 . . . . . 126 P C 1 52138 1 431 . 1 . 1 126 126 PRO CA C 13 66.514 0.207 . 1 . . . . . 126 P CA 3 52138 1 432 . 1 . 1 126 126 PRO CB C 13 32.806 0.073 . 1 . . . . . 126 P CB 2 52138 1 433 . 1 . 1 127 127 GLU H H 1 8.940 0.003 . 1 . . . . . 127 E H 12 52138 1 434 . 1 . 1 127 127 GLU C C 13 178.891 0.000 . 1 . . . . . 127 E C 1 52138 1 435 . 1 . 1 127 127 GLU CA C 13 60.247 0.039 . 1 . . . . . 127 E CA 5 52138 1 436 . 1 . 1 127 127 GLU CB C 13 29.048 0.029 . 1 . . . . . 127 E CB 3 52138 1 437 . 1 . 1 127 127 GLU N N 15 116.985 0.043 . 1 . . . . . 127 E N 12 52138 1 438 . 1 . 1 128 128 ASP H H 1 8.069 0.003 . 1 . . . . . 128 D H 12 52138 1 439 . 1 . 1 128 128 ASP C C 13 179.779 0.000 . 1 . . . . . 128 D C 1 52138 1 440 . 1 . 1 128 128 ASP CA C 13 57.494 0.122 . 1 . . . . . 128 D CA 6 52138 1 441 . 1 . 1 128 128 ASP CB C 13 39.169 0.045 . 1 . . . . . 128 D CB 3 52138 1 442 . 1 . 1 128 128 ASP N N 15 124.036 0.050 . 1 . . . . . 128 D N 12 52138 1 443 . 1 . 1 129 129 ARG H H 1 8.932 0.005 . 1 . . . . . 129 R H 12 52138 1 444 . 1 . 1 129 129 ARG C C 13 178.232 0.000 . 1 . . . . . 129 R C 1 52138 1 445 . 1 . 1 129 129 ARG CA C 13 60.846 0.165 . 1 . . . . . 129 R CA 5 52138 1 446 . 1 . 1 129 129 ARG CB C 13 30.726 0.069 . 1 . . . . . 129 R CB 3 52138 1 447 . 1 . 1 129 129 ARG N N 15 121.958 0.050 . 1 . . . . . 129 R N 12 52138 1 448 . 1 . 1 130 130 ALA H H 1 7.347 0.003 . 1 . . . . . 130 A H 12 52138 1 449 . 1 . 1 130 130 ALA C C 13 179.501 0.000 . 1 . . . . . 130 A C 1 52138 1 450 . 1 . 1 130 130 ALA CA C 13 55.245 0.116 . 1 . . . . . 130 A CA 5 52138 1 451 . 1 . 1 130 130 ALA CB C 13 19.121 0.056 . 1 . . . . . 130 A CB 3 52138 1 452 . 1 . 1 130 130 ALA N N 15 120.818 0.034 . 1 . . . . . 130 A N 12 52138 1 453 . 1 . 1 131 131 LYS H H 1 7.618 0.002 . 1 . . . . . 131 K H 11 52138 1 454 . 1 . 1 131 131 LYS C C 13 179.464 0.000 . 1 . . . . . 131 K C 1 52138 1 455 . 1 . 1 131 131 LYS CA C 13 59.545 0.104 . 1 . . . . . 131 K CA 5 52138 1 456 . 1 . 1 131 131 LYS CB C 13 31.965 0.043 . 1 . . . . . 131 K CB 3 52138 1 457 . 1 . 1 131 131 LYS N N 15 117.833 0.022 . 1 . . . . . 131 K N 11 52138 1 458 . 1 . 1 132 132 CYS H H 1 8.132 0.005 . 1 . . . . . 132 C H 12 52138 1 459 . 1 . 1 132 132 CYS C C 13 178.073 0.000 . 1 . . . . . 132 C C 1 52138 1 460 . 1 . 1 132 132 CYS CA C 13 63.686 0.022 . 1 . . . . . 132 C CA 5 52138 1 461 . 1 . 1 132 132 CYS CB C 13 26.679 0.053 . 1 . . . . . 132 C CB 3 52138 1 462 . 1 . 1 132 132 CYS N N 15 117.922 0.042 . 1 . . . . . 132 C N 12 52138 1 463 . 1 . 1 133 133 PHE H H 1 8.730 0.003 . 1 . . . . . 133 F H 12 52138 1 464 . 1 . 1 133 133 PHE C C 13 178.568 0.000 . 1 . . . . . 133 F C 1 52138 1 465 . 1 . 1 133 133 PHE CA C 13 61.658 0.083 . 1 . . . . . 133 F CA 5 52138 1 466 . 1 . 1 133 133 PHE CB C 13 39.260 0.033 . 1 . . . . . 133 F CB 3 52138 1 467 . 1 . 1 133 133 PHE N N 15 123.296 0.050 . 1 . . . . . 133 F N 12 52138 1 468 . 1 . 1 134 134 GLU H H 1 8.391 0.004 . 1 . . . . . 134 E H 12 52138 1 469 . 1 . 1 134 134 GLU C C 13 177.543 0.000 . 1 . . . . . 134 E C 1 52138 1 470 . 1 . 1 134 134 GLU CA C 13 59.222 0.168 . 1 . . . . . 134 E CA 5 52138 1 471 . 1 . 1 134 134 GLU CB C 13 29.799 0.113 . 1 . . . . . 134 E CB 3 52138 1 472 . 1 . 1 134 134 GLU N N 15 117.439 0.063 . 1 . . . . . 134 E N 12 52138 1 473 . 1 . 1 135 135 LYS H H 1 7.069 0.003 . 1 . . . . . 135 K H 12 52138 1 474 . 1 . 1 135 135 LYS C C 13 175.447 0.000 . 1 . . . . . 135 K C 1 52138 1 475 . 1 . 1 135 135 LYS CA C 13 55.409 0.136 . 1 . . . . . 135 K CA 5 52138 1 476 . 1 . 1 135 135 LYS CB C 13 33.264 0.112 . 1 . . . . . 135 K CB 3 52138 1 477 . 1 . 1 135 135 LYS N N 15 114.625 0.043 . 1 . . . . . 135 K N 12 52138 1 478 . 1 . 1 136 136 ASN H H 1 7.472 0.004 . 1 . . . . . 136 N H 12 52138 1 479 . 1 . 1 136 136 ASN C C 13 173.243 0.000 . 1 . . . . . 136 N C 1 52138 1 480 . 1 . 1 136 136 ASN CA C 13 54.042 0.072 . 1 . . . . . 136 N CA 3 52138 1 481 . 1 . 1 136 136 ASN CB C 13 37.830 0.019 . 1 . . . . . 136 N CB 3 52138 1 482 . 1 . 1 136 136 ASN N N 15 121.427 0.036 . 1 . . . . . 136 N N 12 52138 1 483 . 1 . 1 137 137 GLU H H 1 8.187 0.007 . 1 . . . . . 137 E H 10 52138 1 484 . 1 . 1 137 137 GLU C C 13 178.193 0.000 . 1 . . . . . 137 E C 1 52138 1 485 . 1 . 1 137 137 GLU CA C 13 59.054 0.169 . 1 . . . . . 137 E CA 5 52138 1 486 . 1 . 1 137 137 GLU CB C 13 29.919 0.045 . 1 . . . . . 137 E CB 3 52138 1 487 . 1 . 1 137 137 GLU N N 15 126.688 0.059 . 1 . . . . . 137 E N 10 52138 1 488 . 1 . 1 138 138 ALA H H 1 8.232 0.002 . 1 . . . . . 138 A H 12 52138 1 489 . 1 . 1 138 138 ALA C C 13 181.356 0.000 . 1 . . . . . 138 A C 1 52138 1 490 . 1 . 1 138 138 ALA CA C 13 55.434 0.133 . 1 . . . . . 138 A CA 5 52138 1 491 . 1 . 1 138 138 ALA CB C 13 18.657 0.043 . 1 . . . . . 138 A CB 3 52138 1 492 . 1 . 1 138 138 ALA N N 15 122.483 0.038 . 1 . . . . . 138 A N 12 52138 1 493 . 1 . 1 139 139 ILE H H 1 8.854 0.003 . 1 . . . . . 139 I H 11 52138 1 494 . 1 . 1 139 139 ILE C C 13 177.447 0.000 . 1 . . . . . 139 I C 1 52138 1 495 . 1 . 1 139 139 ILE CA C 13 65.680 0.089 . 1 . . . . . 139 I CA 4 52138 1 496 . 1 . 1 139 139 ILE CB C 13 37.478 0.000 . 1 . . . . . 139 I CB 1 52138 1 497 . 1 . 1 139 139 ILE N N 15 119.901 0.059 . 1 . . . . . 139 I N 11 52138 1 498 . 1 . 1 140 140 GLN H H 1 7.086 0.005 . 1 . . . . . 140 Q H 8 52138 1 499 . 1 . 1 140 140 GLN C C 13 177.148 0.000 . 1 . . . . . 140 Q C 1 52138 1 500 . 1 . 1 140 140 GLN CA C 13 59.632 0.079 . 1 . . . . . 140 Q CA 5 52138 1 501 . 1 . 1 140 140 GLN N N 15 117.945 0.114 . 1 . . . . . 140 Q N 8 52138 1 502 . 1 . 1 141 141 ALA H H 1 8.453 0.006 . 1 . . . . . 141 A H 10 52138 1 503 . 1 . 1 141 141 ALA C C 13 180.694 0.000 . 1 . . . . . 141 A C 1 52138 1 504 . 1 . 1 141 141 ALA CA C 13 54.946 0.176 . 1 . . . . . 141 A CA 5 52138 1 505 . 1 . 1 141 141 ALA CB C 13 17.999 0.031 . 1 . . . . . 141 A CB 3 52138 1 506 . 1 . 1 141 141 ALA N N 15 119.369 0.062 . 1 . . . . . 141 A N 10 52138 1 507 . 1 . 1 142 142 ALA H H 1 7.614 0.004 . 1 . . . . . 142 A H 12 52138 1 508 . 1 . 1 142 142 ALA C C 13 178.219 0.000 . 1 . . . . . 142 A C 1 52138 1 509 . 1 . 1 142 142 ALA CA C 13 55.144 0.079 . 1 . . . . . 142 A CA 5 52138 1 510 . 1 . 1 142 142 ALA CB C 13 18.682 0.095 . 1 . . . . . 142 A CB 3 52138 1 511 . 1 . 1 142 142 ALA N N 15 121.575 0.042 . 1 . . . . . 142 A N 12 52138 1 512 . 1 . 1 143 143 HIS H H 1 7.906 0.007 . 1 . . . . . 143 H H 12 52138 1 513 . 1 . 1 143 143 HIS C C 13 177.146 0.000 . 1 . . . . . 143 H C 1 52138 1 514 . 1 . 1 143 143 HIS CA C 13 60.768 0.150 . 1 . . . . . 143 H CA 5 52138 1 515 . 1 . 1 143 143 HIS CB C 13 31.490 0.086 . 1 . . . . . 143 H CB 3 52138 1 516 . 1 . 1 143 143 HIS N N 15 116.488 0.048 . 1 . . . . . 143 H N 12 52138 1 517 . 1 . 1 144 144 ASP H H 1 8.668 0.011 . 1 . . . . . 144 D H 12 52138 1 518 . 1 . 1 144 144 ASP C C 13 178.704 0.000 . 1 . . . . . 144 D C 1 52138 1 519 . 1 . 1 144 144 ASP CA C 13 57.965 0.125 . 1 . . . . . 144 D CA 2 52138 1 520 . 1 . 1 144 144 ASP CB C 13 40.005 0.000 . 1 . . . . . 144 D CB 1 52138 1 521 . 1 . 1 144 144 ASP N N 15 118.632 0.046 . 1 . . . . . 144 D N 12 52138 1 522 . 1 . 1 146 146 VAL H H 1 7.547 0.003 . 1 . . . . . 146 V H 12 52138 1 523 . 1 . 1 146 146 VAL CA C 13 66.196 0.048 . 1 . . . . . 146 V CA 3 52138 1 524 . 1 . 1 146 146 VAL CB C 13 31.714 0.000 . 1 . . . . . 146 V CB 1 52138 1 525 . 1 . 1 146 146 VAL N N 15 118.654 0.065 . 1 . . . . . 146 V N 12 52138 1 526 . 1 . 1 147 147 ALA H H 1 8.650 0.009 . 1 . . . . . 147 A H 6 52138 1 527 . 1 . 1 147 147 ALA C C 13 180.362 0.000 . 1 . . . . . 147 A C 1 52138 1 528 . 1 . 1 147 147 ALA CA C 13 55.038 0.101 . 1 . . . . . 147 A CA 3 52138 1 529 . 1 . 1 147 147 ALA CB C 13 18.517 0.105 . 1 . . . . . 147 A CB 3 52138 1 530 . 1 . 1 147 147 ALA N N 15 121.783 0.065 . 1 . . . . . 147 A N 6 52138 1 531 . 1 . 1 148 148 GLN H H 1 7.847 0.006 . 1 . . . . . 148 Q H 11 52138 1 532 . 1 . 1 148 148 GLN C C 13 176.894 0.000 . 1 . . . . . 148 Q C 1 52138 1 533 . 1 . 1 148 148 GLN CA C 13 57.580 0.156 . 1 . . . . . 148 Q CA 5 52138 1 534 . 1 . 1 148 148 GLN CB C 13 29.293 0.167 . 1 . . . . . 148 Q CB 3 52138 1 535 . 1 . 1 148 148 GLN N N 15 114.752 0.057 . 1 . . . . . 148 Q N 11 52138 1 536 . 1 . 1 149 149 GLU H H 1 7.799 0.002 . 1 . . . . . 149 E H 12 52138 1 537 . 1 . 1 149 149 GLU C C 13 177.261 0.000 . 1 . . . . . 149 E C 1 52138 1 538 . 1 . 1 149 149 GLU CA C 13 57.408 0.145 . 1 . . . . . 149 E CA 4 52138 1 539 . 1 . 1 149 149 GLU CB C 13 29.761 0.040 . 1 . . . . . 149 E CB 3 52138 1 540 . 1 . 1 149 149 GLU N N 15 118.649 0.044 . 1 . . . . . 149 E N 12 52138 1 541 . 1 . 1 150 150 GLY H H 1 7.658 0.004 . 1 . . . . . 150 G H 10 52138 1 542 . 1 . 1 150 150 GLY C C 13 173.024 0.000 . 1 . . . . . 150 G C 1 52138 1 543 . 1 . 1 150 150 GLY CA C 13 44.846 0.055 . 1 . . . . . 150 G CA 5 52138 1 544 . 1 . 1 150 150 GLY N N 15 107.044 0.045 . 1 . . . . . 150 G N 10 52138 1 545 . 1 . 1 151 151 GLN H H 1 8.353 0.005 . 1 . . . . . 151 Q H 10 52138 1 546 . 1 . 1 151 151 GLN C C 13 175.561 0.000 . 1 . . . . . 151 Q C 1 52138 1 547 . 1 . 1 151 151 GLN CA C 13 55.760 0.152 . 1 . . . . . 151 Q CA 5 52138 1 548 . 1 . 1 151 151 GLN CB C 13 29.639 0.037 . 1 . . . . . 151 Q CB 3 52138 1 549 . 1 . 1 151 151 GLN N N 15 118.645 0.035 . 1 . . . . . 151 Q N 10 52138 1 550 . 1 . 1 152 152 CYS H H 1 8.442 0.006 . 1 . . . . . 152 C H 12 52138 1 551 . 1 . 1 152 152 CYS C C 13 174.508 0.000 . 1 . . . . . 152 C C 1 52138 1 552 . 1 . 1 152 152 CYS CA C 13 58.761 0.105 . 1 . . . . . 152 C CA 5 52138 1 553 . 1 . 1 152 152 CYS CB C 13 28.121 0.033 . 1 . . . . . 152 C CB 3 52138 1 554 . 1 . 1 152 152 CYS N N 15 120.761 0.047 . 1 . . . . . 152 C N 12 52138 1 555 . 1 . 1 153 153 ARG H H 1 8.642 0.008 . 1 . . . . . 153 R H 12 52138 1 556 . 1 . 1 153 153 ARG C C 13 176.002 0.000 . 1 . . . . . 153 R C 1 52138 1 557 . 1 . 1 153 153 ARG CA C 13 55.803 0.078 . 1 . . . . . 153 R CA 5 52138 1 558 . 1 . 1 153 153 ARG CB C 13 30.909 0.044 . 1 . . . . . 153 R CB 3 52138 1 559 . 1 . 1 153 153 ARG N N 15 125.541 0.053 . 1 . . . . . 153 R N 12 52138 1 560 . 1 . 1 154 154 VAL H H 1 8.285 0.007 . 1 . . . . . 154 V H 12 52138 1 561 . 1 . 1 154 154 VAL C C 13 175.575 0.000 . 1 . . . . . 154 V C 1 52138 1 562 . 1 . 1 154 154 VAL CA C 13 62.231 0.080 . 1 . . . . . 154 V CA 5 52138 1 563 . 1 . 1 154 154 VAL CB C 13 32.894 0.053 . 1 . . . . . 154 V CB 3 52138 1 564 . 1 . 1 154 154 VAL N N 15 122.063 0.046 . 1 . . . . . 154 V N 12 52138 1 565 . 1 . 1 155 155 ASP H H 1 8.481 0.005 . 1 . . . . . 155 D H 12 52138 1 566 . 1 . 1 155 155 ASP C C 13 175.954 0.000 . 1 . . . . . 155 D C 1 52138 1 567 . 1 . 1 155 155 ASP CA C 13 54.131 0.058 . 1 . . . . . 155 D CA 5 52138 1 568 . 1 . 1 155 155 ASP CB C 13 41.733 0.068 . 1 . . . . . 155 D CB 3 52138 1 569 . 1 . 1 155 155 ASP N N 15 124.705 0.023 . 1 . . . . . 155 D N 12 52138 1 570 . 1 . 1 156 156 ASP H H 1 8.330 0.004 . 1 . . . . . 156 D H 12 52138 1 571 . 1 . 1 156 156 ASP C C 13 176.695 0.000 . 1 . . . . . 156 D C 1 52138 1 572 . 1 . 1 156 156 ASP CA C 13 54.696 0.091 . 1 . . . . . 156 D CA 5 52138 1 573 . 1 . 1 156 156 ASP CB C 13 41.075 0.089 . 1 . . . . . 156 D CB 3 52138 1 574 . 1 . 1 156 156 ASP N N 15 121.911 0.044 . 1 . . . . . 156 D N 12 52138 1 575 . 1 . 1 157 157 LYS H H 1 8.449 0.006 . 1 . . . . . 157 K H 11 52138 1 576 . 1 . 1 157 157 LYS CA C 13 56.767 0.118 . 1 . . . . . 157 K CA 4 52138 1 577 . 1 . 1 157 157 LYS CB C 13 32.592 0.172 . 1 . . . . . 157 K CB 3 52138 1 578 . 1 . 1 157 157 LYS N N 15 119.229 0.021 . 1 . . . . . 157 K N 11 52138 1 579 . 1 . 1 158 158 VAL H H 1 7.629 0.003 . 1 . . . . . 158 V H 8 52138 1 580 . 1 . 1 158 158 VAL C C 13 174.251 0.000 . 1 . . . . . 158 V C 1 52138 1 581 . 1 . 1 158 158 VAL CA C 13 61.604 0.041 . 1 . . . . . 158 V CA 5 52138 1 582 . 1 . 1 158 158 VAL CB C 13 33.471 0.026 . 1 . . . . . 158 V CB 3 52138 1 583 . 1 . 1 158 158 VAL N N 15 118.933 0.037 . 1 . . . . . 158 V N 8 52138 1 584 . 1 . 1 159 159 ASN H H 1 8.525 0.012 . 1 . . . . . 159 N H 11 52138 1 585 . 1 . 1 159 159 ASN CA C 13 52.315 0.073 . 1 . . . . . 159 N CA 2 52138 1 586 . 1 . 1 159 159 ASN CB C 13 39.733 0.000 . 1 . . . . . 159 N CB 1 52138 1 587 . 1 . 1 159 159 ASN N N 15 123.037 0.030 . 1 . . . . . 159 N N 11 52138 1 588 . 1 . 1 164 164 LEU CA C 13 53.570 0.143 . 1 . . . . . 164 L CA 2 52138 1 589 . 1 . 1 165 165 PHE H H 1 9.459 0.016 . 1 . . . . . 165 F H 7 52138 1 590 . 1 . 1 165 165 PHE C C 13 174.357 0.000 . 1 . . . . . 165 F C 1 52138 1 591 . 1 . 1 165 165 PHE CA C 13 57.006 0.136 . 1 . . . . . 165 F CA 4 52138 1 592 . 1 . 1 165 165 PHE CB C 13 41.691 0.109 . 1 . . . . . 165 F CB 3 52138 1 593 . 1 . 1 165 165 PHE N N 15 123.079 0.078 . 1 . . . . . 165 F N 7 52138 1 594 . 1 . 1 166 166 ASN H H 1 9.235 0.005 . 1 . . . . . 166 N H 11 52138 1 595 . 1 . 1 166 166 ASN C C 13 173.197 0.000 . 1 . . . . . 166 N C 1 52138 1 596 . 1 . 1 166 166 ASN CA C 13 52.606 0.049 . 1 . . . . . 166 N CA 4 52138 1 597 . 1 . 1 166 166 ASN CB C 13 44.551 0.061 . 1 . . . . . 166 N CB 3 52138 1 598 . 1 . 1 166 166 ASN N N 15 120.763 0.071 . 1 . . . . . 166 N N 11 52138 1 599 . 1 . 1 167 167 ASN H H 1 9.274 0.009 . 1 . . . . . 167 N H 12 52138 1 600 . 1 . 1 167 167 ASN C C 13 176.551 0.000 . 1 . . . . . 167 N C 1 52138 1 601 . 1 . 1 167 167 ASN CA C 13 53.239 0.105 . 1 . . . . . 167 N CA 6 52138 1 602 . 1 . 1 167 167 ASN CB C 13 39.738 0.024 . 1 . . . . . 167 N CB 3 52138 1 603 . 1 . 1 167 167 ASN N N 15 125.782 0.025 . 1 . . . . . 167 N N 12 52138 1 604 . 1 . 1 168 168 VAL H H 1 9.372 0.003 . 1 . . . . . 168 V H 11 52138 1 605 . 1 . 1 168 168 VAL C C 13 175.989 0.000 . 1 . . . . . 168 V C 1 52138 1 606 . 1 . 1 168 168 VAL CA C 13 62.496 0.140 . 1 . . . . . 168 V CA 4 52138 1 607 . 1 . 1 168 168 VAL CB C 13 35.141 0.081 . 1 . . . . . 168 V CB 4 52138 1 608 . 1 . 1 168 168 VAL N N 15 125.120 0.050 . 1 . . . . . 168 V N 11 52138 1 609 . 1 . 1 169 169 ASP H H 1 9.624 0.008 . 1 . . . . . 169 D H 11 52138 1 610 . 1 . 1 169 169 ASP C C 13 176.426 0.000 . 1 . . . . . 169 D C 1 52138 1 611 . 1 . 1 169 169 ASP CA C 13 55.037 0.144 . 1 . . . . . 169 D CA 4 52138 1 612 . 1 . 1 169 169 ASP CB C 13 40.455 0.060 . 1 . . . . . 169 D CB 3 52138 1 613 . 1 . 1 169 169 ASP N N 15 128.569 0.030 . 1 . . . . . 169 D N 11 52138 1 614 . 1 . 1 170 170 GLY H H 1 8.474 0.010 . 1 . . . . . 170 G H 11 52138 1 615 . 1 . 1 170 170 GLY C C 13 174.057 0.000 . 1 . . . . . 170 G C 1 52138 1 616 . 1 . 1 170 170 GLY CA C 13 46.214 0.103 . 1 . . . . . 170 G CA 5 52138 1 617 . 1 . 1 170 170 GLY N N 15 104.229 0.044 . 1 . . . . . 170 G N 11 52138 1 618 . 1 . 1 171 171 HIS H H 1 7.884 0.006 . 1 . . . . . 171 H H 10 52138 1 619 . 1 . 1 171 171 HIS C C 13 172.146 0.000 . 1 . . . . . 171 H C 1 52138 1 620 . 1 . 1 171 171 HIS CA C 13 54.956 0.094 . 1 . . . . . 171 H CA 5 52138 1 621 . 1 . 1 171 171 HIS CB C 13 32.303 0.007 . 1 . . . . . 171 H CB 3 52138 1 622 . 1 . 1 171 171 HIS N N 15 118.680 0.051 . 1 . . . . . 171 H N 10 52138 1 623 . 1 . 1 172 172 LEU H H 1 8.612 0.002 . 1 . . . . . 172 L H 12 52138 1 624 . 1 . 1 172 172 LEU C C 13 174.016 0.000 . 1 . . . . . 172 L C 1 52138 1 625 . 1 . 1 172 172 LEU CA C 13 54.298 0.038 . 1 . . . . . 172 L CA 5 52138 1 626 . 1 . 1 172 172 LEU CB C 13 42.391 0.093 . 1 . . . . . 172 L CB 3 52138 1 627 . 1 . 1 172 172 LEU N N 15 122.854 0.044 . 1 . . . . . 172 L N 12 52138 1 628 . 1 . 1 173 173 TYR H H 1 9.230 0.006 . 1 . . . . . 173 Y H 12 52138 1 629 . 1 . 1 173 173 TYR C C 13 174.394 0.000 . 1 . . . . . 173 Y C 1 52138 1 630 . 1 . 1 173 173 TYR CA C 13 57.148 0.150 . 1 . . . . . 173 Y CA 5 52138 1 631 . 1 . 1 173 173 TYR CB C 13 42.717 0.098 . 1 . . . . . 173 Y CB 3 52138 1 632 . 1 . 1 173 173 TYR N N 15 124.917 0.027 . 1 . . . . . 173 Y N 12 52138 1 633 . 1 . 1 174 174 GLU H H 1 9.185 0.006 . 1 . . . . . 174 E H 10 52138 1 634 . 1 . 1 174 174 GLU C C 13 176.502 0.000 . 1 . . . . . 174 E C 1 52138 1 635 . 1 . 1 174 174 GLU CA C 13 52.894 0.043 . 1 . . . . . 174 E CA 5 52138 1 636 . 1 . 1 174 174 GLU CB C 13 34.130 0.090 . 1 . . . . . 174 E CB 2 52138 1 637 . 1 . 1 174 174 GLU CG C 13 34.120 0.000 . 1 . . . . . 174 E CG 1 52138 1 638 . 1 . 1 174 174 GLU N N 15 121.989 0.044 . 1 . . . . . 174 E N 10 52138 1 639 . 1 . 1 175 175 LEU H H 1 9.943 0.008 . 1 . . . . . 175 L H 11 52138 1 640 . 1 . 1 175 175 LEU C C 13 174.653 0.000 . 1 . . . . . 175 L C 1 52138 1 641 . 1 . 1 175 175 LEU CA C 13 55.771 0.144 . 1 . . . . . 175 L CA 5 52138 1 642 . 1 . 1 175 175 LEU CB C 13 43.548 0.075 . 1 . . . . . 175 L CB 3 52138 1 643 . 1 . 1 175 175 LEU N N 15 128.921 0.054 . 1 . . . . . 175 L N 11 52138 1 644 . 1 . 1 176 176 ASP H H 1 9.274 0.005 . 1 . . . . . 176 D H 10 52138 1 645 . 1 . 1 176 176 ASP CA C 13 52.839 0.131 . 1 . . . . . 176 D CA 2 52138 1 646 . 1 . 1 176 176 ASP N N 15 128.479 0.045 . 1 . . . . . 176 D N 10 52138 1 647 . 1 . 1 180 180 PRO C C 13 175.473 0.000 . 1 . . . . . 180 P C 1 52138 1 648 . 1 . 1 180 180 PRO CA C 13 63.191 0.000 . 1 . . . . . 180 P CA 1 52138 1 649 . 1 . 1 180 180 PRO CB C 13 32.039 0.156 . 1 . . . . . 180 P CB 2 52138 1 650 . 1 . 1 181 181 PHE H H 1 6.726 0.005 . 1 . . . . . 181 F H 9 52138 1 651 . 1 . 1 181 181 PHE CA C 13 52.626 0.003 . 1 . . . . . 181 F CA 2 52138 1 652 . 1 . 1 181 181 PHE CB C 13 37.848 0.000 . 1 . . . . . 181 F CB 1 52138 1 653 . 1 . 1 181 181 PHE N N 15 112.484 0.066 . 1 . . . . . 181 F N 9 52138 1 654 . 1 . 1 182 182 PRO C C 13 173.918 0.000 . 1 . . . . . 182 P C 1 52138 1 655 . 1 . 1 182 182 PRO CA C 13 61.954 0.074 . 1 . . . . . 182 P CA 3 52138 1 656 . 1 . 1 182 182 PRO CB C 13 33.362 0.031 . 1 . . . . . 182 P CB 2 52138 1 657 . 1 . 1 183 183 VAL H H 1 8.563 0.002 . 1 . . . . . 183 V H 11 52138 1 658 . 1 . 1 183 183 VAL C C 13 174.348 0.000 . 1 . . . . . 183 V C 1 52138 1 659 . 1 . 1 183 183 VAL CA C 13 62.069 0.070 . 1 . . . . . 183 V CA 5 52138 1 660 . 1 . 1 183 183 VAL CB C 13 34.428 0.064 . 1 . . . . . 183 V CB 3 52138 1 661 . 1 . 1 183 183 VAL N N 15 119.675 0.065 . 1 . . . . . 183 V N 11 52138 1 662 . 1 . 1 184 184 ASN H H 1 8.655 0.009 . 1 . . . . . 184 N H 10 52138 1 663 . 1 . 1 184 184 ASN C C 13 175.929 0.000 . 1 . . . . . 184 N C 1 52138 1 664 . 1 . 1 184 184 ASN CA C 13 52.195 0.121 . 1 . . . . . 184 N CA 5 52138 1 665 . 1 . 1 184 184 ASN CB C 13 38.537 0.046 . 1 . . . . . 184 N CB 3 52138 1 666 . 1 . 1 184 184 ASN N N 15 125.583 0.049 . 1 . . . . . 184 N N 10 52138 1 667 . 1 . 1 185 185 HIS H H 1 9.519 0.004 . 1 . . . . . 185 H H 11 52138 1 668 . 1 . 1 185 185 HIS C C 13 175.692 0.000 . 1 . . . . . 185 H C 1 52138 1 669 . 1 . 1 185 185 HIS CA C 13 57.603 0.157 . 1 . . . . . 185 H CA 5 52138 1 670 . 1 . 1 185 185 HIS CB C 13 31.197 0.059 . 1 . . . . . 185 H CB 3 52138 1 671 . 1 . 1 185 185 HIS N N 15 126.193 0.076 . 1 . . . . . 185 H N 11 52138 1 672 . 1 . 1 186 186 GLY H H 1 8.867 0.002 . 1 . . . . . 186 G H 11 52138 1 673 . 1 . 1 186 186 GLY C C 13 172.422 0.000 . 1 . . . . . 186 G C 1 52138 1 674 . 1 . 1 186 186 GLY CA C 13 43.964 0.074 . 1 . . . . . 186 G CA 5 52138 1 675 . 1 . 1 186 186 GLY N N 15 109.928 0.046 . 1 . . . . . 186 G N 11 52138 1 676 . 1 . 1 187 187 ALA H H 1 8.234 0.003 . 1 . . . . . 187 A H 10 52138 1 677 . 1 . 1 187 187 ALA C C 13 177.856 0.000 . 1 . . . . . 187 A C 1 52138 1 678 . 1 . 1 187 187 ALA CA C 13 52.826 0.021 . 1 . . . . . 187 A CA 4 52138 1 679 . 1 . 1 187 187 ALA CB C 13 18.721 0.064 . 1 . . . . . 187 A CB 3 52138 1 680 . 1 . 1 187 187 ALA N N 15 120.616 0.039 . 1 . . . . . 187 A N 10 52138 1 681 . 1 . 1 188 188 SER H H 1 7.946 0.006 . 1 . . . . . 188 S H 11 52138 1 682 . 1 . 1 188 188 SER C C 13 173.180 0.000 . 1 . . . . . 188 S C 1 52138 1 683 . 1 . 1 188 188 SER CA C 13 57.298 0.080 . 1 . . . . . 188 S CA 5 52138 1 684 . 1 . 1 188 188 SER CB C 13 64.343 0.068 . 1 . . . . . 188 S CB 3 52138 1 685 . 1 . 1 188 188 SER N N 15 116.103 0.062 . 1 . . . . . 188 S N 11 52138 1 686 . 1 . 1 189 189 SER H H 1 8.290 0.004 . 1 . . . . . 189 S H 12 52138 1 687 . 1 . 1 189 189 SER CA C 13 57.426 0.114 . 1 . . . . . 189 S CA 2 52138 1 688 . 1 . 1 189 189 SER CB C 13 65.664 0.000 . 1 . . . . . 189 S CB 1 52138 1 689 . 1 . 1 189 189 SER N N 15 117.823 0.017 . 1 . . . . . 189 S N 12 52138 1 690 . 1 . 1 190 190 GLU H H 1 9.278 0.000 . 1 . . . . . 190 E H 1 52138 1 691 . 1 . 1 190 190 GLU C C 13 178.535 0.000 . 1 . . . . . 190 E C 1 52138 1 692 . 1 . 1 190 190 GLU CA C 13 60.455 0.115 . 1 . . . . . 190 E CA 3 52138 1 693 . 1 . 1 190 190 GLU CB C 13 29.446 0.066 . 1 . . . . . 190 E CB 2 52138 1 694 . 1 . 1 190 190 GLU N N 15 124.294 0.000 . 1 . . . . . 190 E N 1 52138 1 695 . 1 . 1 191 191 ASP H H 1 8.403 0.002 . 1 . . . . . 191 D H 12 52138 1 696 . 1 . 1 191 191 ASP C C 13 177.544 0.000 . 1 . . . . . 191 D C 1 52138 1 697 . 1 . 1 191 191 ASP CA C 13 56.022 0.059 . 1 . . . . . 191 D CA 5 52138 1 698 . 1 . 1 191 191 ASP CB C 13 40.933 0.084 . 1 . . . . . 191 D CB 3 52138 1 699 . 1 . 1 191 191 ASP N N 15 115.368 0.028 . 1 . . . . . 191 D N 12 52138 1 700 . 1 . 1 192 192 THR H H 1 7.549 0.002 . 1 . . . . . 192 T H 12 52138 1 701 . 1 . 1 192 192 THR C C 13 173.521 0.000 . 1 . . . . . 192 T C 1 52138 1 702 . 1 . 1 192 192 THR CA C 13 61.304 0.152 . 1 . . . . . 192 T CA 5 52138 1 703 . 1 . 1 192 192 THR CB C 13 68.497 0.121 . 1 . . . . . 192 T CB 3 52138 1 704 . 1 . 1 192 192 THR N N 15 108.753 0.038 . 1 . . . . . 192 T N 12 52138 1 705 . 1 . 1 193 193 LEU H H 1 7.123 0.001 . 1 . . . . . 193 L H 11 52138 1 706 . 1 . 1 193 193 LEU C C 13 177.639 0.000 . 1 . . . . . 193 L C 1 52138 1 707 . 1 . 1 193 193 LEU CA C 13 59.160 0.163 . 1 . . . . . 193 L CA 5 52138 1 708 . 1 . 1 193 193 LEU CB C 13 41.433 0.108 . 1 . . . . . 193 L CB 3 52138 1 709 . 1 . 1 193 193 LEU N N 15 123.994 0.041 . 1 . . . . . 193 L N 11 52138 1 710 . 1 . 1 194 194 LEU H H 1 8.433 0.002 . 1 . . . . . 194 L H 12 52138 1 711 . 1 . 1 194 194 LEU C C 13 178.119 0.000 . 1 . . . . . 194 L C 1 52138 1 712 . 1 . 1 194 194 LEU CA C 13 59.026 0.187 . 1 . . . . . 194 L CA 4 52138 1 713 . 1 . 1 194 194 LEU CB C 13 41.310 0.072 . 1 . . . . . 194 L CB 3 52138 1 714 . 1 . 1 194 194 LEU N N 15 115.847 0.051 . 1 . . . . . 194 L N 12 52138 1 715 . 1 . 1 195 195 LYS H H 1 7.784 0.004 . 1 . . . . . 195 K H 11 52138 1 716 . 1 . 1 195 195 LYS C C 13 179.425 0.000 . 1 . . . . . 195 K C 1 52138 1 717 . 1 . 1 195 195 LYS CA C 13 59.544 0.063 . 1 . . . . . 195 K CA 5 52138 1 718 . 1 . 1 195 195 LYS CB C 13 32.571 0.004 . 1 . . . . . 195 K CB 3 52138 1 719 . 1 . 1 195 195 LYS N N 15 117.639 0.046 . 1 . . . . . 195 K N 11 52138 1 720 . 1 . 1 196 196 ASP H H 1 8.855 0.005 . 1 . . . . . 196 D H 11 52138 1 721 . 1 . 1 196 196 ASP C C 13 178.703 0.000 . 1 . . . . . 196 D C 1 52138 1 722 . 1 . 1 196 196 ASP CA C 13 57.045 0.131 . 1 . . . . . 196 D CA 3 52138 1 723 . 1 . 1 196 196 ASP CB C 13 39.912 0.120 . 1 . . . . . 196 D CB 3 52138 1 724 . 1 . 1 196 196 ASP N N 15 121.928 0.052 . 1 . . . . . 196 D N 11 52138 1 725 . 1 . 1 197 197 ALA H H 1 9.159 0.027 . 1 . . . . . 197 A H 11 52138 1 726 . 1 . 1 197 197 ALA C C 13 179.604 0.000 . 1 . . . . . 197 A C 1 52138 1 727 . 1 . 1 197 197 ALA CA C 13 54.612 0.135 . 1 . . . . . 197 A CA 5 52138 1 728 . 1 . 1 197 197 ALA CB C 13 19.108 0.071 . 1 . . . . . 197 A CB 3 52138 1 729 . 1 . 1 197 197 ALA N N 15 122.346 0.075 . 1 . . . . . 197 A N 11 52138 1 730 . 1 . 1 198 198 ALA H H 1 8.719 0.001 . 1 . . . . . 198 A H 10 52138 1 731 . 1 . 1 198 198 ALA C C 13 178.599 0.000 . 1 . . . . . 198 A C 1 52138 1 732 . 1 . 1 198 198 ALA CA C 13 55.836 0.110 . 1 . . . . . 198 A CA 5 52138 1 733 . 1 . 1 198 198 ALA CB C 13 18.789 0.108 . 1 . . . . . 198 A CB 3 52138 1 734 . 1 . 1 198 198 ALA N N 15 121.376 0.028 . 1 . . . . . 198 A N 10 52138 1 735 . 1 . 1 199 199 LYS H H 1 7.234 0.002 . 1 . . . . . 199 K H 11 52138 1 736 . 1 . 1 199 199 LYS C C 13 178.885 0.000 . 1 . . . . . 199 K C 1 52138 1 737 . 1 . 1 199 199 LYS CA C 13 60.098 0.034 . 1 . . . . . 199 K CA 5 52138 1 738 . 1 . 1 199 199 LYS CB C 13 32.204 0.035 . 1 . . . . . 199 K CB 3 52138 1 739 . 1 . 1 199 199 LYS N N 15 116.944 0.044 . 1 . . . . . 199 K N 11 52138 1 740 . 1 . 1 200 200 VAL H H 1 6.686 0.003 . 1 . . . . . 200 V H 11 52138 1 741 . 1 . 1 200 200 VAL C C 13 179.280 0.000 . 1 . . . . . 200 V C 1 52138 1 742 . 1 . 1 200 200 VAL CA C 13 65.724 0.075 . 1 . . . . . 200 V CA 5 52138 1 743 . 1 . 1 200 200 VAL CB C 13 30.633 0.000 . 1 . . . . . 200 V CB 1 52138 1 744 . 1 . 1 200 200 VAL N N 15 118.606 0.038 . 1 . . . . . 200 V N 11 52138 1 745 . 1 . 1 201 201 CYS H H 1 7.934 0.004 . 1 . . . . . 201 C H 9 52138 1 746 . 1 . 1 201 201 CYS C C 13 177.242 0.000 . 1 . . . . . 201 C C 1 52138 1 747 . 1 . 1 201 201 CYS CA C 13 64.312 0.154 . 1 . . . . . 201 C CA 5 52138 1 748 . 1 . 1 201 201 CYS CB C 13 27.661 0.047 . 1 . . . . . 201 C CB 3 52138 1 749 . 1 . 1 201 201 CYS N N 15 117.372 0.050 . 1 . . . . . 201 C N 9 52138 1 750 . 1 . 1 202 202 ARG H H 1 8.425 0.005 . 1 . . . . . 202 R H 11 52138 1 751 . 1 . 1 202 202 ARG C C 13 178.939 0.000 . 1 . . . . . 202 R C 1 52138 1 752 . 1 . 1 202 202 ARG CA C 13 59.709 0.129 . 1 . . . . . 202 R CA 5 52138 1 753 . 1 . 1 202 202 ARG CB C 13 29.762 0.074 . 1 . . . . . 202 R CB 2 52138 1 754 . 1 . 1 202 202 ARG N N 15 118.527 0.062 . 1 . . . . . 202 R N 11 52138 1 755 . 1 . 1 203 203 GLU H H 1 7.519 0.001 . 1 . . . . . 203 E H 10 52138 1 756 . 1 . 1 203 203 GLU C C 13 179.411 0.000 . 1 . . . . . 203 E C 1 52138 1 757 . 1 . 1 203 203 GLU CA C 13 59.444 0.082 . 1 . . . . . 203 E CA 5 52138 1 758 . 1 . 1 203 203 GLU CB C 13 28.658 0.060 . 1 . . . . . 203 E CB 3 52138 1 759 . 1 . 1 203 203 GLU N N 15 119.480 0.018 . 1 . . . . . 203 E N 10 52138 1 760 . 1 . 1 204 204 PHE H H 1 7.620 0.003 . 1 . . . . . 204 F H 9 52138 1 761 . 1 . 1 204 204 PHE C C 13 179.094 0.000 . 1 . . . . . 204 F C 1 52138 1 762 . 1 . 1 204 204 PHE CA C 13 61.045 0.027 . 1 . . . . . 204 F CA 2 52138 1 763 . 1 . 1 204 204 PHE CB C 13 32.027 0.000 . 1 . . . . . 204 F CB 1 52138 1 764 . 1 . 1 204 204 PHE N N 15 117.531 0.001 . 1 . . . . . 204 F N 9 52138 1 765 . 1 . 1 205 205 THR H H 1 7.487 0.022 . 1 . . . . . 205 T H 7 52138 1 766 . 1 . 1 205 205 THR C C 13 176.960 0.000 . 1 . . . . . 205 T C 1 52138 1 767 . 1 . 1 205 205 THR CA C 13 64.358 0.128 . 1 . . . . . 205 T CA 4 52138 1 768 . 1 . 1 205 205 THR CB C 13 68.203 0.079 . 1 . . . . . 205 T CB 3 52138 1 769 . 1 . 1 205 205 THR N N 15 109.667 0.142 . 1 . . . . . 205 T N 7 52138 1 770 . 1 . 1 206 206 GLU H H 1 7.669 0.008 . 1 . . . . . 206 E H 9 52138 1 771 . 1 . 1 206 206 GLU C C 13 178.243 0.000 . 1 . . . . . 206 E C 1 52138 1 772 . 1 . 1 206 206 GLU CA C 13 57.984 0.142 . 1 . . . . . 206 E CA 5 52138 1 773 . 1 . 1 206 206 GLU CB C 13 29.556 0.035 . 1 . . . . . 206 E CB 3 52138 1 774 . 1 . 1 206 206 GLU N N 15 121.627 0.056 . 1 . . . . . 206 E N 9 52138 1 775 . 1 . 1 207 207 ARG H H 1 7.307 0.003 . 1 . . . . . 207 R H 11 52138 1 776 . 1 . 1 207 207 ARG CA C 13 58.456 0.085 . 1 . . . . . 207 R CA 2 52138 1 777 . 1 . 1 207 207 ARG CB C 13 31.457 0.000 . 1 . . . . . 207 R CB 1 52138 1 778 . 1 . 1 207 207 ARG N N 15 117.332 0.024 . 1 . . . . . 207 R N 11 52138 1 779 . 1 . 1 209 209 GLN H H 1 8.288 0.028 . 1 . . . . . 209 Q H 7 52138 1 780 . 1 . 1 209 209 GLN C C 13 176.807 0.000 . 1 . . . . . 209 Q C 1 52138 1 781 . 1 . 1 209 209 GLN CA C 13 56.480 0.034 . 1 . . . . . 209 Q CA 5 52138 1 782 . 1 . 1 209 209 GLN CB C 13 29.048 0.024 . 1 . . . . . 209 Q CB 3 52138 1 783 . 1 . 1 209 209 GLN N N 15 120.295 0.075 . 1 . . . . . 209 Q N 7 52138 1 784 . 1 . 1 210 210 GLY H H 1 8.656 0.003 . 1 . . . . . 210 G H 10 52138 1 785 . 1 . 1 210 210 GLY CA C 13 45.261 0.062 . 1 . . . . . 210 G CA 6 52138 1 786 . 1 . 1 210 210 GLY N N 15 109.712 0.045 . 1 . . . . . 210 G N 10 52138 1 787 . 1 . 1 211 211 GLU H H 1 8.268 0.003 . 1 . . . . . 211 E H 8 52138 1 788 . 1 . 1 211 211 GLU C C 13 176.052 0.000 . 1 . . . . . 211 E C 1 52138 1 789 . 1 . 1 211 211 GLU CA C 13 56.336 0.041 . 1 . . . . . 211 E CA 5 52138 1 790 . 1 . 1 211 211 GLU CB C 13 30.502 0.082 . 1 . . . . . 211 E CB 4 52138 1 791 . 1 . 1 211 211 GLU N N 15 121.956 0.054 . 1 . . . . . 211 E N 8 52138 1 792 . 1 . 1 212 212 VAL H H 1 8.033 0.006 . 1 . . . . . 212 V H 10 52138 1 793 . 1 . 1 212 212 VAL C C 13 176.054 0.000 . 1 . . . . . 212 V C 1 52138 1 794 . 1 . 1 212 212 VAL CA C 13 61.270 0.167 . 1 . . . . . 212 V CA 5 52138 1 795 . 1 . 1 212 212 VAL CB C 13 34.821 0.119 . 1 . . . . . 212 V CB 3 52138 1 796 . 1 . 1 212 212 VAL N N 15 119.672 0.085 . 1 . . . . . 212 V N 10 52138 1 797 . 1 . 1 213 213 ARG H H 1 8.601 0.003 . 1 . . . . . 213 R H 11 52138 1 798 . 1 . 1 213 213 ARG CA C 13 56.182 0.056 . 1 . . . . . 213 R CA 4 52138 1 799 . 1 . 1 213 213 ARG CB C 13 30.424 0.009 . 1 . . . . . 213 R CB 2 52138 1 800 . 1 . 1 213 213 ARG N N 15 126.076 0.048 . 1 . . . . . 213 R N 11 52138 1 801 . 1 . 1 214 214 PHE H H 1 8.040 0.006 . 1 . . . . . 214 F H 6 52138 1 802 . 1 . 1 214 214 PHE C C 13 175.644 0.000 . 1 . . . . . 214 F C 1 52138 1 803 . 1 . 1 214 214 PHE CA C 13 56.380 0.161 . 1 . . . . . 214 F CA 3 52138 1 804 . 1 . 1 214 214 PHE CB C 13 41.864 0.061 . 1 . . . . . 214 F CB 2 52138 1 805 . 1 . 1 214 214 PHE N N 15 120.067 0.089 . 1 . . . . . 214 F N 6 52138 1 806 . 1 . 1 215 215 SER H H 1 8.931 0.003 . 1 . . . . . 215 S H 9 52138 1 807 . 1 . 1 215 215 SER C C 13 171.558 0.000 . 1 . . . . . 215 S C 1 52138 1 808 . 1 . 1 215 215 SER CA C 13 57.852 0.130 . 1 . . . . . 215 S CA 5 52138 1 809 . 1 . 1 215 215 SER CB C 13 65.540 0.056 . 1 . . . . . 215 S CB 3 52138 1 810 . 1 . 1 215 215 SER N N 15 115.584 0.045 . 1 . . . . . 215 S N 9 52138 1 811 . 1 . 1 216 216 ALA H H 1 9.077 0.004 . 1 . . . . . 216 A H 11 52138 1 812 . 1 . 1 216 216 ALA C C 13 176.282 0.000 . 1 . . . . . 216 A C 1 52138 1 813 . 1 . 1 216 216 ALA CA C 13 50.759 0.026 . 1 . . . . . 216 A CA 5 52138 1 814 . 1 . 1 216 216 ALA CB C 13 21.987 0.123 . 1 . . . . . 216 A CB 3 52138 1 815 . 1 . 1 216 216 ALA N N 15 124.508 0.039 . 1 . . . . . 216 A N 11 52138 1 816 . 1 . 1 217 217 VAL H H 1 9.063 0.006 . 1 . . . . . 217 V H 11 52138 1 817 . 1 . 1 217 217 VAL C C 13 173.603 0.000 . 1 . . . . . 217 V C 1 52138 1 818 . 1 . 1 217 217 VAL CA C 13 59.265 0.191 . 1 . . . . . 217 V CA 5 52138 1 819 . 1 . 1 217 217 VAL CB C 13 36.411 0.111 . 1 . . . . . 217 V CB 3 52138 1 820 . 1 . 1 217 217 VAL N N 15 114.842 0.033 . 1 . . . . . 217 V N 11 52138 1 821 . 1 . 1 218 218 ALA H H 1 9.191 0.003 . 1 . . . . . 218 A H 11 52138 1 822 . 1 . 1 218 218 ALA C C 13 175.429 0.000 . 1 . . . . . 218 A C 1 52138 1 823 . 1 . 1 218 218 ALA CA C 13 50.039 0.094 . 1 . . . . . 218 A CA 5 52138 1 824 . 1 . 1 218 218 ALA CB C 13 22.475 0.089 . 1 . . . . . 218 A CB 3 52138 1 825 . 1 . 1 218 218 ALA N N 15 123.843 0.034 . 1 . . . . . 218 A N 11 52138 1 826 . 1 . 1 219 219 LEU H H 1 8.143 0.012 . 1 . . . . . 219 L H 12 52138 1 827 . 1 . 1 219 219 LEU C C 13 174.671 0.000 . 1 . . . . . 219 L C 1 52138 1 828 . 1 . 1 219 219 LEU CA C 13 54.175 0.070 . 1 . . . . . 219 L CA 5 52138 1 829 . 1 . 1 219 219 LEU CB C 13 43.608 0.128 . 1 . . . . . 219 L CB 3 52138 1 830 . 1 . 1 219 219 LEU N N 15 124.392 0.032 . 1 . . . . . 219 L N 12 52138 1 831 . 1 . 1 220 220 CYS H H 1 8.941 0.003 . 1 . . . . . 220 C H 10 52138 1 832 . 1 . 1 220 220 CYS C C 13 172.805 0.000 . 1 . . . . . 220 C C 1 52138 1 833 . 1 . 1 220 220 CYS CA C 13 57.509 0.134 . 1 . . . . . 220 C CA 5 52138 1 834 . 1 . 1 220 220 CYS CB C 13 32.603 0.032 . 1 . . . . . 220 C CB 3 52138 1 835 . 1 . 1 220 220 CYS N N 15 124.143 0.082 . 1 . . . . . 220 C N 10 52138 1 836 . 1 . 1 221 221 LYS H H 1 7.427 0.003 . 1 . . . . . 221 K H 12 52138 1 837 . 1 . 1 221 221 LYS C C 13 175.073 0.000 . 1 . . . . . 221 K C 1 52138 1 838 . 1 . 1 221 221 LYS CA C 13 55.725 0.131 . 1 . . . . . 221 K CA 5 52138 1 839 . 1 . 1 221 221 LYS CB C 13 31.245 0.067 . 1 . . . . . 221 K CB 3 52138 1 840 . 1 . 1 221 221 LYS N N 15 125.111 0.056 . 1 . . . . . 221 K N 12 52138 1 841 . 1 . 1 222 222 ALA H H 1 7.884 0.004 . 1 . . . . . 222 A H 12 52138 1 842 . 1 . 1 222 222 ALA C C 13 176.508 0.000 . 1 . . . . . 222 A C 1 52138 1 843 . 1 . 1 222 222 ALA CA C 13 51.815 0.163 . 1 . . . . . 222 A CA 5 52138 1 844 . 1 . 1 222 222 ALA CB C 13 19.641 0.177 . 1 . . . . . 222 A CB 3 52138 1 845 . 1 . 1 222 222 ALA N N 15 128.697 0.058 . 1 . . . . . 222 A N 12 52138 1 846 . 1 . 1 223 223 ALA H H 1 8.202 0.003 . 1 . . . . . 223 A H 12 52138 1 847 . 1 . 1 223 223 ALA C C 13 177.338 0.000 . 1 . . . . . 223 A C 1 52138 1 848 . 1 . 1 223 223 ALA CA C 13 51.956 0.068 . 1 . . . . . 223 A CA 2 52138 1 849 . 1 . 1 223 223 ALA CB C 13 19.323 0.068 . 1 . . . . . 223 A CB 2 52138 1 850 . 1 . 1 223 223 ALA N N 15 123.780 0.046 . 1 . . . . . 223 A N 12 52138 1 stop_ save_