data_52137 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52137 _Entry.Title ; Backbone assignment 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 52137 2 Chih-Hsuan Lai . . . 0000-0002-4899-2817 52137 3 'Shang-Te Danny' Hsu . . . 0000-0002-7231-0185 52137 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52137 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 632 52137 '15N chemical shifts' 209 52137 '1H chemical shifts' 209 52137 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' 52137 1 . . 2024-01-09 2023-09-19 original author 'original release' 52137 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52138 'R178Q mutant of ubiquitin carboxyl-terminal hydrolase L1 (UCH-L1)' 52137 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52137 _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. . . . 52137 1 2 Chih-Hsuan Lai C. H. . . 52137 1 3 Tsung-Sheng Chiang T. S. . . 52137 1 4 Kwame Brown K. . . . 52137 1 5 Chad Hewitt C. S. . . 52137 1 6 Aaron Krabill A. D. . . 52137 1 7 Hao-Ting Chang H. T. . . 52137 1 8 Yong-Sheng Wang Y. S. . . 52137 1 9 Daniel Flaherty D. P. . . 52137 1 10 Shang-Te 'Danny Hsu' S. T. . . 52137 1 11 Chittaranjan Das C. . . . 52137 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52137 _Assembly.ID 1 _Assembly.Name UCHL1 _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 1 $entity_1 . . yes native no no . . . 52137 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52137 _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 HFILFNNVDGHLYELDGRMP 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 . 52137 1 2 . GLN . 52137 1 3 . LEU . 52137 1 4 . LYS . 52137 1 5 . PRO . 52137 1 6 . MET . 52137 1 7 . GLU . 52137 1 8 . ILE . 52137 1 9 . ASN . 52137 1 10 . PRO . 52137 1 11 . GLU . 52137 1 12 . MET . 52137 1 13 . LEU . 52137 1 14 . ASN . 52137 1 15 . LYS . 52137 1 16 . VAL . 52137 1 17 . LEU . 52137 1 18 . SER . 52137 1 19 . ARG . 52137 1 20 . LEU . 52137 1 21 . GLY . 52137 1 22 . VAL . 52137 1 23 . ALA . 52137 1 24 . GLY . 52137 1 25 . GLN . 52137 1 26 . TRP . 52137 1 27 . ARG . 52137 1 28 . PHE . 52137 1 29 . VAL . 52137 1 30 . ASP . 52137 1 31 . VAL . 52137 1 32 . LEU . 52137 1 33 . GLY . 52137 1 34 . LEU . 52137 1 35 . GLU . 52137 1 36 . GLU . 52137 1 37 . GLU . 52137 1 38 . SER . 52137 1 39 . LEU . 52137 1 40 . GLY . 52137 1 41 . SER . 52137 1 42 . VAL . 52137 1 43 . PRO . 52137 1 44 . ALA . 52137 1 45 . PRO . 52137 1 46 . ALA . 52137 1 47 . CYS . 52137 1 48 . ALA . 52137 1 49 . LEU . 52137 1 50 . LEU . 52137 1 51 . LEU . 52137 1 52 . LEU . 52137 1 53 . PHE . 52137 1 54 . PRO . 52137 1 55 . LEU . 52137 1 56 . THR . 52137 1 57 . ALA . 52137 1 58 . GLN . 52137 1 59 . HIS . 52137 1 60 . GLU . 52137 1 61 . ASN . 52137 1 62 . PHE . 52137 1 63 . ARG . 52137 1 64 . LYS . 52137 1 65 . LYS . 52137 1 66 . GLN . 52137 1 67 . ILE . 52137 1 68 . GLU . 52137 1 69 . GLU . 52137 1 70 . LEU . 52137 1 71 . LYS . 52137 1 72 . GLY . 52137 1 73 . GLN . 52137 1 74 . GLU . 52137 1 75 . VAL . 52137 1 76 . SER . 52137 1 77 . PRO . 52137 1 78 . LYS . 52137 1 79 . VAL . 52137 1 80 . TYR . 52137 1 81 . PHE . 52137 1 82 . MET . 52137 1 83 . LYS . 52137 1 84 . GLN . 52137 1 85 . THR . 52137 1 86 . ILE . 52137 1 87 . GLY . 52137 1 88 . ASN . 52137 1 89 . SER . 52137 1 90 . CYS . 52137 1 91 . GLY . 52137 1 92 . THR . 52137 1 93 . ILE . 52137 1 94 . GLY . 52137 1 95 . LEU . 52137 1 96 . ILE . 52137 1 97 . HIS . 52137 1 98 . ALA . 52137 1 99 . VAL . 52137 1 100 . ALA . 52137 1 101 . ASN . 52137 1 102 . ASN . 52137 1 103 . GLN . 52137 1 104 . ASP . 52137 1 105 . LYS . 52137 1 106 . LEU . 52137 1 107 . GLY . 52137 1 108 . PHE . 52137 1 109 . GLU . 52137 1 110 . ASP . 52137 1 111 . GLY . 52137 1 112 . SER . 52137 1 113 . VAL . 52137 1 114 . LEU . 52137 1 115 . LYS . 52137 1 116 . GLN . 52137 1 117 . PHE . 52137 1 118 . LEU . 52137 1 119 . SER . 52137 1 120 . GLU . 52137 1 121 . THR . 52137 1 122 . GLU . 52137 1 123 . LYS . 52137 1 124 . MET . 52137 1 125 . SER . 52137 1 126 . PRO . 52137 1 127 . GLU . 52137 1 128 . ASP . 52137 1 129 . ARG . 52137 1 130 . ALA . 52137 1 131 . LYS . 52137 1 132 . CYS . 52137 1 133 . PHE . 52137 1 134 . GLU . 52137 1 135 . LYS . 52137 1 136 . ASN . 52137 1 137 . GLU . 52137 1 138 . ALA . 52137 1 139 . ILE . 52137 1 140 . GLN . 52137 1 141 . ALA . 52137 1 142 . ALA . 52137 1 143 . HIS . 52137 1 144 . ASP . 52137 1 145 . ALA . 52137 1 146 . VAL . 52137 1 147 . ALA . 52137 1 148 . GLN . 52137 1 149 . GLU . 52137 1 150 . GLY . 52137 1 151 . GLN . 52137 1 152 . CYS . 52137 1 153 . ARG . 52137 1 154 . VAL . 52137 1 155 . ASP . 52137 1 156 . ASP . 52137 1 157 . LYS . 52137 1 158 . VAL . 52137 1 159 . ASN . 52137 1 160 . PHE . 52137 1 161 . HIS . 52137 1 162 . PHE . 52137 1 163 . ILE . 52137 1 164 . LEU . 52137 1 165 . PHE . 52137 1 166 . ASN . 52137 1 167 . ASN . 52137 1 168 . VAL . 52137 1 169 . ASP . 52137 1 170 . GLY . 52137 1 171 . HIS . 52137 1 172 . LEU . 52137 1 173 . TYR . 52137 1 174 . GLU . 52137 1 175 . LEU . 52137 1 176 . ASP . 52137 1 177 . GLY . 52137 1 178 . ARG . 52137 1 179 . MET . 52137 1 180 . PRO . 52137 1 181 . PHE . 52137 1 182 . PRO . 52137 1 183 . VAL . 52137 1 184 . ASN . 52137 1 185 . HIS . 52137 1 186 . GLY . 52137 1 187 . ALA . 52137 1 188 . SER . 52137 1 189 . SER . 52137 1 190 . GLU . 52137 1 191 . ASP . 52137 1 192 . THR . 52137 1 193 . LEU . 52137 1 194 . LEU . 52137 1 195 . LYS . 52137 1 196 . ASP . 52137 1 197 . ALA . 52137 1 198 . ALA . 52137 1 199 . LYS . 52137 1 200 . VAL . 52137 1 201 . CYS . 52137 1 202 . ARG . 52137 1 203 . GLU . 52137 1 204 . PHE . 52137 1 205 . THR . 52137 1 206 . GLU . 52137 1 207 . ARG . 52137 1 208 . GLU . 52137 1 209 . GLN . 52137 1 210 . GLY . 52137 1 211 . GLU . 52137 1 212 . VAL . 52137 1 213 . ARG . 52137 1 214 . PHE . 52137 1 215 . SER . 52137 1 216 . ALA . 52137 1 217 . VAL . 52137 1 218 . ALA . 52137 1 219 . LEU . 52137 1 220 . CYS . 52137 1 221 . LYS . 52137 1 222 . ALA . 52137 1 223 . ALA . 52137 1 224 . LEU . 52137 1 225 . GLU . 52137 1 226 . HIS . 52137 1 227 . HIS . 52137 1 228 . HIS . 52137 1 229 . HIS . 52137 1 230 . HIS . 52137 1 231 . HIS . 52137 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 52137 1 . GLN 2 2 52137 1 . LEU 3 3 52137 1 . LYS 4 4 52137 1 . PRO 5 5 52137 1 . MET 6 6 52137 1 . GLU 7 7 52137 1 . ILE 8 8 52137 1 . ASN 9 9 52137 1 . PRO 10 10 52137 1 . GLU 11 11 52137 1 . MET 12 12 52137 1 . LEU 13 13 52137 1 . ASN 14 14 52137 1 . LYS 15 15 52137 1 . VAL 16 16 52137 1 . LEU 17 17 52137 1 . SER 18 18 52137 1 . ARG 19 19 52137 1 . LEU 20 20 52137 1 . GLY 21 21 52137 1 . VAL 22 22 52137 1 . ALA 23 23 52137 1 . GLY 24 24 52137 1 . GLN 25 25 52137 1 . TRP 26 26 52137 1 . ARG 27 27 52137 1 . PHE 28 28 52137 1 . VAL 29 29 52137 1 . ASP 30 30 52137 1 . VAL 31 31 52137 1 . LEU 32 32 52137 1 . GLY 33 33 52137 1 . LEU 34 34 52137 1 . GLU 35 35 52137 1 . GLU 36 36 52137 1 . GLU 37 37 52137 1 . SER 38 38 52137 1 . LEU 39 39 52137 1 . GLY 40 40 52137 1 . SER 41 41 52137 1 . VAL 42 42 52137 1 . PRO 43 43 52137 1 . ALA 44 44 52137 1 . PRO 45 45 52137 1 . ALA 46 46 52137 1 . CYS 47 47 52137 1 . ALA 48 48 52137 1 . LEU 49 49 52137 1 . LEU 50 50 52137 1 . LEU 51 51 52137 1 . LEU 52 52 52137 1 . PHE 53 53 52137 1 . PRO 54 54 52137 1 . LEU 55 55 52137 1 . THR 56 56 52137 1 . ALA 57 57 52137 1 . GLN 58 58 52137 1 . HIS 59 59 52137 1 . GLU 60 60 52137 1 . ASN 61 61 52137 1 . PHE 62 62 52137 1 . ARG 63 63 52137 1 . LYS 64 64 52137 1 . LYS 65 65 52137 1 . GLN 66 66 52137 1 . ILE 67 67 52137 1 . GLU 68 68 52137 1 . GLU 69 69 52137 1 . LEU 70 70 52137 1 . LYS 71 71 52137 1 . GLY 72 72 52137 1 . GLN 73 73 52137 1 . GLU 74 74 52137 1 . VAL 75 75 52137 1 . SER 76 76 52137 1 . PRO 77 77 52137 1 . LYS 78 78 52137 1 . VAL 79 79 52137 1 . TYR 80 80 52137 1 . PHE 81 81 52137 1 . MET 82 82 52137 1 . LYS 83 83 52137 1 . GLN 84 84 52137 1 . THR 85 85 52137 1 . ILE 86 86 52137 1 . GLY 87 87 52137 1 . ASN 88 88 52137 1 . SER 89 89 52137 1 . CYS 90 90 52137 1 . GLY 91 91 52137 1 . THR 92 92 52137 1 . ILE 93 93 52137 1 . GLY 94 94 52137 1 . LEU 95 95 52137 1 . ILE 96 96 52137 1 . HIS 97 97 52137 1 . ALA 98 98 52137 1 . VAL 99 99 52137 1 . ALA 100 100 52137 1 . ASN 101 101 52137 1 . ASN 102 102 52137 1 . GLN 103 103 52137 1 . ASP 104 104 52137 1 . LYS 105 105 52137 1 . LEU 106 106 52137 1 . GLY 107 107 52137 1 . PHE 108 108 52137 1 . GLU 109 109 52137 1 . ASP 110 110 52137 1 . GLY 111 111 52137 1 . SER 112 112 52137 1 . VAL 113 113 52137 1 . LEU 114 114 52137 1 . LYS 115 115 52137 1 . GLN 116 116 52137 1 . PHE 117 117 52137 1 . LEU 118 118 52137 1 . SER 119 119 52137 1 . GLU 120 120 52137 1 . THR 121 121 52137 1 . GLU 122 122 52137 1 . LYS 123 123 52137 1 . MET 124 124 52137 1 . SER 125 125 52137 1 . PRO 126 126 52137 1 . GLU 127 127 52137 1 . ASP 128 128 52137 1 . ARG 129 129 52137 1 . ALA 130 130 52137 1 . LYS 131 131 52137 1 . CYS 132 132 52137 1 . PHE 133 133 52137 1 . GLU 134 134 52137 1 . LYS 135 135 52137 1 . ASN 136 136 52137 1 . GLU 137 137 52137 1 . ALA 138 138 52137 1 . ILE 139 139 52137 1 . GLN 140 140 52137 1 . ALA 141 141 52137 1 . ALA 142 142 52137 1 . HIS 143 143 52137 1 . ASP 144 144 52137 1 . ALA 145 145 52137 1 . VAL 146 146 52137 1 . ALA 147 147 52137 1 . GLN 148 148 52137 1 . GLU 149 149 52137 1 . GLY 150 150 52137 1 . GLN 151 151 52137 1 . CYS 152 152 52137 1 . ARG 153 153 52137 1 . VAL 154 154 52137 1 . ASP 155 155 52137 1 . ASP 156 156 52137 1 . LYS 157 157 52137 1 . VAL 158 158 52137 1 . ASN 159 159 52137 1 . PHE 160 160 52137 1 . HIS 161 161 52137 1 . PHE 162 162 52137 1 . ILE 163 163 52137 1 . LEU 164 164 52137 1 . PHE 165 165 52137 1 . ASN 166 166 52137 1 . ASN 167 167 52137 1 . VAL 168 168 52137 1 . ASP 169 169 52137 1 . GLY 170 170 52137 1 . HIS 171 171 52137 1 . LEU 172 172 52137 1 . TYR 173 173 52137 1 . GLU 174 174 52137 1 . LEU 175 175 52137 1 . ASP 176 176 52137 1 . GLY 177 177 52137 1 . ARG 178 178 52137 1 . MET 179 179 52137 1 . PRO 180 180 52137 1 . PHE 181 181 52137 1 . PRO 182 182 52137 1 . VAL 183 183 52137 1 . ASN 184 184 52137 1 . HIS 185 185 52137 1 . GLY 186 186 52137 1 . ALA 187 187 52137 1 . SER 188 188 52137 1 . SER 189 189 52137 1 . GLU 190 190 52137 1 . ASP 191 191 52137 1 . THR 192 192 52137 1 . LEU 193 193 52137 1 . LEU 194 194 52137 1 . LYS 195 195 52137 1 . ASP 196 196 52137 1 . ALA 197 197 52137 1 . ALA 198 198 52137 1 . LYS 199 199 52137 1 . VAL 200 200 52137 1 . CYS 201 201 52137 1 . ARG 202 202 52137 1 . GLU 203 203 52137 1 . PHE 204 204 52137 1 . THR 205 205 52137 1 . GLU 206 206 52137 1 . ARG 207 207 52137 1 . GLU 208 208 52137 1 . GLN 209 209 52137 1 . GLY 210 210 52137 1 . GLU 211 211 52137 1 . VAL 212 212 52137 1 . ARG 213 213 52137 1 . PHE 214 214 52137 1 . SER 215 215 52137 1 . ALA 216 216 52137 1 . VAL 217 217 52137 1 . ALA 218 218 52137 1 . LEU 219 219 52137 1 . CYS 220 220 52137 1 . LYS 221 221 52137 1 . ALA 222 222 52137 1 . ALA 223 223 52137 1 . LEU 224 224 52137 1 . GLU 225 225 52137 1 . HIS 226 226 52137 1 . HIS 227 227 52137 1 . HIS 228 228 52137 1 . HIS 229 229 52137 1 . HIS 230 230 52137 1 . HIS 231 231 52137 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 52137 _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 . . . . . . . . . . . . . 52137 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 52137 _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 . . . 52137 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52137 _Sample.ID 1 _Sample.Name 'UCH-L1, [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 'ubiquitin carboxyl-terminal hydrolase L1 (UCH-L1)' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 52137 1 2 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 52137 1 3 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 52137 1 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 52137 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 52137 _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 52137 1 pressure 1 . atm 52137 1 temperature 298 . K 52137 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52137 _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 . 52137 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52137 _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' . 52137 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 52137 _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 52137 _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 . . . . . . . . . . . . . . . . . 52137 1 2 '3D CBCACONH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52137 1 3 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52137 1 4 '3D HN(CO)CA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52137 1 5 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52137 1 6 '3D HNCA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52137 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 52137 _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 . . . . . 52137 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 52137 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101 . . . . . 52137 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 52137 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'UCHL1_WT_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' . . . 52137 1 2 '3D CBCACONH' . . . 52137 1 3 '3D HNCACB' . . . 52137 1 4 '3D HN(CO)CA' . . . 52137 1 5 '3D HNCO' . . . 52137 1 6 '3D HNCA' . . . 52137 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 . . 52137 1 2 $software_2 . . 52137 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 1 1 MET C C 13 175.318 0.000 . 1 . . . . . 1 M C 1 52137 1 2 . 1 . 1 2 2 GLN H H 1 8.377 0.004 . 1 . . . . . 2 Q H 4 52137 1 3 . 1 . 1 2 2 GLN C C 13 174.403 0.000 . 1 . . . . . 2 Q C 1 52137 1 4 . 1 . 1 2 2 GLN CA C 13 54.924 0.130 . 1 . . . . . 2 Q CA 6 52137 1 5 . 1 . 1 2 2 GLN CB C 13 31.620 0.087 . 1 . . . . . 2 Q CB 2 52137 1 6 . 1 . 1 2 2 GLN N N 15 120.395 0.034 . 1 . . . . . 2 Q N 4 52137 1 7 . 1 . 1 3 3 LEU H H 1 7.788 0.005 . 1 . . . . . 3 L H 11 52137 1 8 . 1 . 1 3 3 LEU C C 13 176.926 0.000 . 1 . . . . . 3 L C 1 52137 1 9 . 1 . 1 3 3 LEU CA C 13 53.348 0.121 . 1 . . . . . 3 L CA 6 52137 1 10 . 1 . 1 3 3 LEU CB C 13 41.965 0.055 . 1 . . . . . 3 L CB 3 52137 1 11 . 1 . 1 3 3 LEU N N 15 122.320 0.052 . 1 . . . . . 3 L N 11 52137 1 12 . 1 . 1 4 4 LYS H H 1 9.608 0.003 . 1 . . . . . 4 K H 11 52137 1 13 . 1 . 1 4 4 LYS CA C 13 55.419 0.094 . 1 . . . . . 4 K CA 2 52137 1 14 . 1 . 1 4 4 LYS CB C 13 32.770 0.000 . 1 . . . . . 4 K CB 1 52137 1 15 . 1 . 1 4 4 LYS N N 15 123.132 0.036 . 1 . . . . . 4 K N 11 52137 1 16 . 1 . 1 5 5 PRO C C 13 175.245 0.000 . 1 . . . . . 5 P C 1 52137 1 17 . 1 . 1 5 5 PRO CA C 13 63.033 0.122 . 1 . . . . . 5 P CA 4 52137 1 18 . 1 . 1 5 5 PRO CB C 13 31.915 0.048 . 1 . . . . . 5 P CB 2 52137 1 19 . 1 . 1 6 6 MET H H 1 8.161 0.002 . 1 . . . . . 6 M H 11 52137 1 20 . 1 . 1 6 6 MET C C 13 174.642 0.000 . 1 . . . . . 6 M C 1 52137 1 21 . 1 . 1 6 6 MET CA C 13 54.016 0.093 . 1 . . . . . 6 M CA 6 52137 1 22 . 1 . 1 6 6 MET CB C 13 37.401 0.061 . 1 . . . . . 6 M CB 3 52137 1 23 . 1 . 1 6 6 MET N N 15 119.608 0.033 . 1 . . . . . 6 M N 11 52137 1 24 . 1 . 1 7 7 GLU H H 1 8.622 0.001 . 1 . . . . . 7 E H 11 52137 1 25 . 1 . 1 7 7 GLU C C 13 174.290 0.000 . 1 . . . . . 7 E C 1 52137 1 26 . 1 . 1 7 7 GLU CA C 13 56.447 0.050 . 1 . . . . . 7 E CA 6 52137 1 27 . 1 . 1 7 7 GLU CB C 13 29.955 0.068 . 1 . . . . . 7 E CB 3 52137 1 28 . 1 . 1 7 7 GLU N N 15 127.029 0.047 . 1 . . . . . 7 E N 11 52137 1 29 . 1 . 1 8 8 ILE H H 1 8.036 0.002 . 1 . . . . . 8 I H 11 52137 1 30 . 1 . 1 8 8 ILE C C 13 173.711 0.000 . 1 . . . . . 8 I C 1 52137 1 31 . 1 . 1 8 8 ILE CA C 13 61.341 0.082 . 1 . . . . . 8 I CA 6 52137 1 32 . 1 . 1 8 8 ILE CB C 13 35.782 0.116 . 1 . . . . . 8 I CB 3 52137 1 33 . 1 . 1 8 8 ILE N N 15 123.140 0.024 . 1 . . . . . 8 I N 11 52137 1 34 . 1 . 1 9 9 ASN H H 1 6.936 0.004 . 1 . . . . . 9 N H 11 52137 1 35 . 1 . 1 9 9 ASN CA C 13 50.772 0.014 . 1 . . . . . 9 N CA 2 52137 1 36 . 1 . 1 9 9 ASN CB C 13 37.249 0.000 . 1 . . . . . 9 N CB 1 52137 1 37 . 1 . 1 9 9 ASN N N 15 121.475 0.032 . 1 . . . . . 9 N N 11 52137 1 38 . 1 . 1 10 10 PRO C C 13 175.976 0.000 . 1 . . . . . 10 P C 1 52137 1 39 . 1 . 1 10 10 PRO CA C 13 67.268 0.027 . 1 . . . . . 10 P CA 4 52137 1 40 . 1 . 1 10 10 PRO CB C 13 31.318 0.038 . 1 . . . . . 10 P CB 2 52137 1 41 . 1 . 1 11 11 GLU H H 1 8.006 0.001 . 1 . . . . . 11 E H 11 52137 1 42 . 1 . 1 11 11 GLU C C 13 179.871 0.000 . 1 . . . . . 11 E C 1 52137 1 43 . 1 . 1 11 11 GLU CA C 13 59.963 0.028 . 1 . . . . . 11 E CA 6 52137 1 44 . 1 . 1 11 11 GLU CB C 13 29.065 0.085 . 1 . . . . . 11 E CB 3 52137 1 45 . 1 . 1 11 11 GLU N N 15 116.994 0.021 . 1 . . . . . 11 E N 11 52137 1 46 . 1 . 1 12 12 MET H H 1 8.359 0.002 . 1 . . . . . 12 M H 11 52137 1 47 . 1 . 1 12 12 MET C C 13 179.073 0.000 . 1 . . . . . 12 M C 1 52137 1 48 . 1 . 1 12 12 MET CA C 13 57.028 0.099 . 1 . . . . . 12 M CA 5 52137 1 49 . 1 . 1 12 12 MET CB C 13 31.927 0.016 . 1 . . . . . 12 M CB 2 52137 1 50 . 1 . 1 12 12 MET N N 15 117.245 0.025 . 1 . . . . . 12 M N 11 52137 1 51 . 1 . 1 13 13 LEU H H 1 8.093 0.002 . 1 . . . . . 13 L H 9 52137 1 52 . 1 . 1 13 13 LEU C C 13 179.371 0.000 . 1 . . . . . 13 L C 1 52137 1 53 . 1 . 1 13 13 LEU CA C 13 57.933 0.027 . 1 . . . . . 13 L CA 6 52137 1 54 . 1 . 1 13 13 LEU CB C 13 42.492 0.139 . 1 . . . . . 13 L CB 3 52137 1 55 . 1 . 1 13 13 LEU N N 15 117.638 0.044 . 1 . . . . . 13 L N 9 52137 1 56 . 1 . 1 14 14 ASN H H 1 9.036 0.003 . 1 . . . . . 14 N H 11 52137 1 57 . 1 . 1 14 14 ASN C C 13 179.215 0.000 . 1 . . . . . 14 N C 1 52137 1 58 . 1 . 1 14 14 ASN CA C 13 56.078 0.089 . 1 . . . . . 14 N CA 6 52137 1 59 . 1 . 1 14 14 ASN CB C 13 37.375 0.054 . 1 . . . . . 14 N CB 3 52137 1 60 . 1 . 1 14 14 ASN N N 15 117.526 0.022 . 1 . . . . . 14 N N 11 52137 1 61 . 1 . 1 15 15 LYS H H 1 7.760 0.003 . 1 . . . . . 15 K H 11 52137 1 62 . 1 . 1 15 15 LYS C C 13 179.871 0.000 . 1 . . . . . 15 K C 1 52137 1 63 . 1 . 1 15 15 LYS CA C 13 60.410 0.072 . 1 . . . . . 15 K CA 6 52137 1 64 . 1 . 1 15 15 LYS CB C 13 33.601 0.017 . 1 . . . . . 15 K CB 3 52137 1 65 . 1 . 1 15 15 LYS N N 15 122.404 0.043 . 1 . . . . . 15 K N 11 52137 1 66 . 1 . 1 16 16 VAL H H 1 8.054 0.003 . 1 . . . . . 16 V H 10 52137 1 67 . 1 . 1 16 16 VAL C C 13 177.609 0.000 . 1 . . . . . 16 V C 1 52137 1 68 . 1 . 1 16 16 VAL CA C 13 67.952 0.093 . 1 . . . . . 16 V CA 5 52137 1 69 . 1 . 1 16 16 VAL CB C 13 30.672 0.040 . 1 . . . . . 16 V CB 3 52137 1 70 . 1 . 1 16 16 VAL N N 15 121.235 0.039 . 1 . . . . . 16 V N 10 52137 1 71 . 1 . 1 17 17 LEU H H 1 8.672 0.002 . 1 . . . . . 17 L H 11 52137 1 72 . 1 . 1 17 17 LEU C C 13 178.598 0.000 . 1 . . . . . 17 L C 1 52137 1 73 . 1 . 1 17 17 LEU CA C 13 59.023 0.137 . 1 . . . . . 17 L CA 6 52137 1 74 . 1 . 1 17 17 LEU CB C 13 42.832 0.103 . 1 . . . . . 17 L CB 3 52137 1 75 . 1 . 1 17 17 LEU N N 15 119.527 0.029 . 1 . . . . . 17 L N 11 52137 1 76 . 1 . 1 18 18 SER H H 1 7.722 0.002 . 1 . . . . . 18 S H 11 52137 1 77 . 1 . 1 18 18 SER C C 13 179.341 0.000 . 1 . . . . . 18 S C 1 52137 1 78 . 1 . 1 18 18 SER CA C 13 61.632 0.019 . 1 . . . . . 18 S CA 5 52137 1 79 . 1 . 1 18 18 SER CB C 13 62.932 0.008 . 1 . . . . . 18 S CB 3 52137 1 80 . 1 . 1 18 18 SER N N 15 110.814 0.022 . 1 . . . . . 18 S N 11 52137 1 81 . 1 . 1 19 19 ARG H H 1 8.288 0.004 . 1 . . . . . 19 R H 11 52137 1 82 . 1 . 1 19 19 ARG C C 13 178.586 0.000 . 1 . . . . . 19 R C 1 52137 1 83 . 1 . 1 19 19 ARG CA C 13 58.528 0.064 . 1 . . . . . 19 R CA 7 52137 1 84 . 1 . 1 19 19 ARG CB C 13 30.355 0.133 . 1 . . . . . 19 R CB 3 52137 1 85 . 1 . 1 19 19 ARG N N 15 123.061 0.044 . 1 . . . . . 19 R N 11 52137 1 86 . 1 . 1 20 20 LEU H H 1 8.257 0.004 . 1 . . . . . 20 L H 11 52137 1 87 . 1 . 1 20 20 LEU C C 13 177.229 0.000 . 1 . . . . . 20 L C 1 52137 1 88 . 1 . 1 20 20 LEU CA C 13 54.741 0.060 . 1 . . . . . 20 L CA 6 52137 1 89 . 1 . 1 20 20 LEU CB C 13 41.202 0.034 . 1 . . . . . 20 L CB 3 52137 1 90 . 1 . 1 20 20 LEU N N 15 115.477 0.020 . 1 . . . . . 20 L N 11 52137 1 91 . 1 . 1 21 21 GLY H H 1 8.158 0.001 . 1 . . . . . 21 G H 10 52137 1 92 . 1 . 1 21 21 GLY C C 13 173.284 0.000 . 1 . . . . . 21 G C 1 52137 1 93 . 1 . 1 21 21 GLY CA C 13 47.222 0.022 . 1 . . . . . 21 G CA 6 52137 1 94 . 1 . 1 21 21 GLY N N 15 109.123 0.035 . 1 . . . . . 21 G N 10 52137 1 95 . 1 . 1 22 22 VAL H H 1 8.007 0.003 . 1 . . . . . 22 V H 9 52137 1 96 . 1 . 1 22 22 VAL C C 13 175.317 0.000 . 1 . . . . . 22 V C 1 52137 1 97 . 1 . 1 22 22 VAL CA C 13 63.052 0.157 . 1 . . . . . 22 V CA 6 52137 1 98 . 1 . 1 22 22 VAL CB C 13 31.217 0.074 . 1 . . . . . 22 V CB 3 52137 1 99 . 1 . 1 22 22 VAL N N 15 121.754 0.013 . 1 . . . . . 22 V N 9 52137 1 100 . 1 . 1 23 23 ALA H H 1 8.413 0.002 . 1 . . . . . 23 A H 11 52137 1 101 . 1 . 1 23 23 ALA C C 13 178.178 0.000 . 1 . . . . . 23 A C 1 52137 1 102 . 1 . 1 23 23 ALA CA C 13 52.144 0.083 . 1 . . . . . 23 A CA 6 52137 1 103 . 1 . 1 23 23 ALA CB C 13 20.434 0.073 . 1 . . . . . 23 A CB 3 52137 1 104 . 1 . 1 23 23 ALA N N 15 131.936 0.018 . 1 . . . . . 23 A N 11 52137 1 105 . 1 . 1 24 24 GLY H H 1 8.568 0.002 . 1 . . . . . 24 G H 10 52137 1 106 . 1 . 1 24 24 GLY C C 13 174.749 0.000 . 1 . . . . . 24 G C 1 52137 1 107 . 1 . 1 24 24 GLY CA C 13 45.895 0.076 . 1 . . . . . 24 G CA 6 52137 1 108 . 1 . 1 24 24 GLY N N 15 107.367 0.016 . 1 . . . . . 24 G N 10 52137 1 109 . 1 . 1 25 25 GLN H H 1 8.189 0.007 . 1 . . . . . 25 Q H 9 52137 1 110 . 1 . 1 25 25 GLN C C 13 175.003 0.000 . 1 . . . . . 25 Q C 1 52137 1 111 . 1 . 1 25 25 GLN CA C 13 57.608 0.063 . 1 . . . . . 25 Q CA 6 52137 1 112 . 1 . 1 25 25 GLN CB C 13 29.115 0.002 . 1 . . . . . 25 Q CB 3 52137 1 113 . 1 . 1 25 25 GLN N N 15 117.469 0.039 . 1 . . . . . 25 Q N 9 52137 1 114 . 1 . 1 26 26 TRP H H 1 7.670 0.002 . 1 . . . . . 26 W H 11 52137 1 115 . 1 . 1 26 26 TRP C C 13 175.120 0.000 . 1 . . . . . 26 W C 1 52137 1 116 . 1 . 1 26 26 TRP CA C 13 56.086 0.067 . 1 . . . . . 26 W CA 6 52137 1 117 . 1 . 1 26 26 TRP CB C 13 29.367 0.020 . 1 . . . . . 26 W CB 3 52137 1 118 . 1 . 1 26 26 TRP N N 15 119.137 0.031 . 1 . . . . . 26 W N 11 52137 1 119 . 1 . 1 27 27 ARG H H 1 9.099 0.002 . 1 . . . . . 27 R H 11 52137 1 120 . 1 . 1 27 27 ARG C C 13 175.213 0.000 . 1 . . . . . 27 R C 1 52137 1 121 . 1 . 1 27 27 ARG CA C 13 53.754 0.125 . 1 . . . . . 27 R CA 6 52137 1 122 . 1 . 1 27 27 ARG CB C 13 34.809 0.072 . 1 . . . . . 27 R CB 3 52137 1 123 . 1 . 1 27 27 ARG N N 15 119.714 0.011 . 1 . . . . . 27 R N 11 52137 1 124 . 1 . 1 28 28 PHE H H 1 10.330 0.003 . 1 . . . . . 28 F H 11 52137 1 125 . 1 . 1 28 28 PHE C C 13 177.202 0.000 . 1 . . . . . 28 F C 1 52137 1 126 . 1 . 1 28 28 PHE CA C 13 58.853 0.132 . 1 . . . . . 28 F CA 6 52137 1 127 . 1 . 1 28 28 PHE CB C 13 40.002 0.063 . 1 . . . . . 28 F CB 3 52137 1 128 . 1 . 1 28 28 PHE N N 15 121.111 0.018 . 1 . . . . . 28 F N 11 52137 1 129 . 1 . 1 29 29 VAL H H 1 9.362 0.002 . 1 . . . . . 29 V H 11 52137 1 130 . 1 . 1 29 29 VAL C C 13 174.906 0.000 . 1 . . . . . 29 V C 1 52137 1 131 . 1 . 1 29 29 VAL CA C 13 59.616 0.051 . 1 . . . . . 29 V CA 6 52137 1 132 . 1 . 1 29 29 VAL CB C 13 36.138 0.036 . 1 . . . . . 29 V CB 3 52137 1 133 . 1 . 1 29 29 VAL N N 15 116.085 0.029 . 1 . . . . . 29 V N 11 52137 1 134 . 1 . 1 30 30 ASP H H 1 8.778 0.002 . 1 . . . . . 30 D H 11 52137 1 135 . 1 . 1 30 30 ASP C C 13 175.377 0.000 . 1 . . . . . 30 D C 1 52137 1 136 . 1 . 1 30 30 ASP CA C 13 56.133 0.045 . 1 . . . . . 30 D CA 6 52137 1 137 . 1 . 1 30 30 ASP CB C 13 42.648 0.106 . 1 . . . . . 30 D CB 3 52137 1 138 . 1 . 1 30 30 ASP N N 15 122.536 0.012 . 1 . . . . . 30 D N 11 52137 1 139 . 1 . 1 31 31 VAL H H 1 7.974 0.001 . 1 . . . . . 31 V H 11 52137 1 140 . 1 . 1 31 31 VAL C C 13 176.093 0.000 . 1 . . . . . 31 V C 1 52137 1 141 . 1 . 1 31 31 VAL CA C 13 61.858 0.027 . 1 . . . . . 31 V CA 6 52137 1 142 . 1 . 1 31 31 VAL CB C 13 32.227 0.059 . 1 . . . . . 31 V CB 3 52137 1 143 . 1 . 1 31 31 VAL N N 15 122.589 0.020 . 1 . . . . . 31 V N 11 52137 1 144 . 1 . 1 32 32 LEU H H 1 8.941 0.002 . 1 . . . . . 32 L H 11 52137 1 145 . 1 . 1 32 32 LEU C C 13 176.895 0.000 . 1 . . . . . 32 L C 1 52137 1 146 . 1 . 1 32 32 LEU CA C 13 56.983 0.111 . 1 . . . . . 32 L CA 6 52137 1 147 . 1 . 1 32 32 LEU CB C 13 41.443 0.051 . 1 . . . . . 32 L CB 3 52137 1 148 . 1 . 1 32 32 LEU N N 15 127.930 0.011 . 1 . . . . . 32 L N 11 52137 1 149 . 1 . 1 33 33 GLY H H 1 7.383 0.001 . 1 . . . . . 33 G H 10 52137 1 150 . 1 . 1 33 33 GLY C C 13 171.109 0.000 . 1 . . . . . 33 G C 1 52137 1 151 . 1 . 1 33 33 GLY CA C 13 44.815 0.047 . 1 . . . . . 33 G CA 6 52137 1 152 . 1 . 1 33 33 GLY N N 15 105.734 0.017 . 1 . . . . . 33 G N 10 52137 1 153 . 1 . 1 34 34 LEU H H 1 8.250 0.002 . 1 . . . . . 34 L H 9 52137 1 154 . 1 . 1 34 34 LEU C C 13 176.821 0.000 . 1 . . . . . 34 L C 1 52137 1 155 . 1 . 1 34 34 LEU CA C 13 53.606 0.104 . 1 . . . . . 34 L CA 6 52137 1 156 . 1 . 1 34 34 LEU CB C 13 43.018 0.098 . 1 . . . . . 34 L CB 3 52137 1 157 . 1 . 1 34 34 LEU N N 15 115.743 0.035 . 1 . . . . . 34 L N 9 52137 1 158 . 1 . 1 35 35 GLU H H 1 7.992 0.002 . 1 . . . . . 35 E H 11 52137 1 159 . 1 . 1 35 35 GLU C C 13 177.704 0.000 . 1 . . . . . 35 E C 1 52137 1 160 . 1 . 1 35 35 GLU CA C 13 56.474 0.048 . 1 . . . . . 35 E CA 6 52137 1 161 . 1 . 1 35 35 GLU CB C 13 29.134 0.004 . 1 . . . . . 35 E CB 3 52137 1 162 . 1 . 1 35 35 GLU N N 15 117.593 0.039 . 1 . . . . . 35 E N 11 52137 1 163 . 1 . 1 36 36 GLU H H 1 8.974 0.001 . 1 . . . . . 36 E H 11 52137 1 164 . 1 . 1 36 36 GLU C C 13 179.227 0.000 . 1 . . . . . 36 E C 1 52137 1 165 . 1 . 1 36 36 GLU CA C 13 60.840 0.141 . 1 . . . . . 36 E CA 6 52137 1 166 . 1 . 1 36 36 GLU CB C 13 29.531 0.094 . 1 . . . . . 36 E CB 3 52137 1 167 . 1 . 1 36 36 GLU N N 15 122.923 0.037 . 1 . . . . . 36 E N 11 52137 1 168 . 1 . 1 37 37 GLU H H 1 9.209 0.001 . 1 . . . . . 37 E H 11 52137 1 169 . 1 . 1 37 37 GLU C C 13 178.470 0.000 . 1 . . . . . 37 E C 1 52137 1 170 . 1 . 1 37 37 GLU CA C 13 59.301 0.098 . 1 . . . . . 37 E CA 6 52137 1 171 . 1 . 1 37 37 GLU CB C 13 28.860 0.042 . 1 . . . . . 37 E CB 3 52137 1 172 . 1 . 1 37 37 GLU N N 15 117.170 0.023 . 1 . . . . . 37 E N 11 52137 1 173 . 1 . 1 38 38 SER H H 1 7.624 0.002 . 1 . . . . . 38 S H 11 52137 1 174 . 1 . 1 38 38 SER C C 13 176.495 0.000 . 1 . . . . . 38 S C 1 52137 1 175 . 1 . 1 38 38 SER CA C 13 60.131 0.068 . 1 . . . . . 38 S CA 6 52137 1 176 . 1 . 1 38 38 SER CB C 13 63.343 0.058 . 1 . . . . . 38 S CB 3 52137 1 177 . 1 . 1 38 38 SER N N 15 115.349 0.019 . 1 . . . . . 38 S N 11 52137 1 178 . 1 . 1 39 39 LEU H H 1 7.670 0.001 . 1 . . . . . 39 L H 11 52137 1 179 . 1 . 1 39 39 LEU C C 13 179.080 0.000 . 1 . . . . . 39 L C 1 52137 1 180 . 1 . 1 39 39 LEU CA C 13 56.913 0.102 . 1 . . . . . 39 L CA 6 52137 1 181 . 1 . 1 39 39 LEU CB C 13 41.244 0.097 . 1 . . . . . 39 L CB 3 52137 1 182 . 1 . 1 39 39 LEU N N 15 121.141 0.013 . 1 . . . . . 39 L N 11 52137 1 183 . 1 . 1 40 40 GLY H H 1 8.027 0.002 . 1 . . . . . 40 G H 10 52137 1 184 . 1 . 1 40 40 GLY C C 13 174.287 0.000 . 1 . . . . . 40 G C 1 52137 1 185 . 1 . 1 40 40 GLY CA C 13 46.441 0.066 . 1 . . . . . 40 G CA 6 52137 1 186 . 1 . 1 40 40 GLY N N 15 105.708 0.017 . 1 . . . . . 40 G N 10 52137 1 187 . 1 . 1 41 41 SER H H 1 7.450 0.001 . 1 . . . . . 41 S H 9 52137 1 188 . 1 . 1 41 41 SER C C 13 174.470 0.000 . 1 . . . . . 41 S C 1 52137 1 189 . 1 . 1 41 41 SER CA C 13 58.731 0.096 . 1 . . . . . 41 S CA 6 52137 1 190 . 1 . 1 41 41 SER CB C 13 63.862 0.081 . 1 . . . . . 41 S CB 3 52137 1 191 . 1 . 1 41 41 SER N N 15 112.875 0.027 . 1 . . . . . 41 S N 9 52137 1 192 . 1 . 1 42 42 VAL H H 1 7.322 0.003 . 1 . . . . . 42 V H 11 52137 1 193 . 1 . 1 42 42 VAL CA C 13 60.724 0.088 . 1 . . . . . 42 V CA 2 52137 1 194 . 1 . 1 42 42 VAL CB C 13 32.466 0.000 . 1 . . . . . 42 V CB 1 52137 1 195 . 1 . 1 42 42 VAL N N 15 125.802 0.068 . 1 . . . . . 42 V N 11 52137 1 196 . 1 . 1 43 43 PRO C C 13 173.806 0.000 . 1 . . . . . 43 P C 1 52137 1 197 . 1 . 1 43 43 PRO CA C 13 63.729 0.018 . 1 . . . . . 43 P CA 4 52137 1 198 . 1 . 1 43 43 PRO CB C 13 31.924 0.094 . 1 . . . . . 43 P CB 2 52137 1 199 . 1 . 1 44 44 ALA H H 1 8.005 0.002 . 1 . . . . . 44 A H 11 52137 1 200 . 1 . 1 44 44 ALA CA C 13 48.753 0.007 . 1 . . . . . 44 A CA 2 52137 1 201 . 1 . 1 44 44 ALA CB C 13 20.315 0.000 . 1 . . . . . 44 A CB 1 52137 1 202 . 1 . 1 44 44 ALA N N 15 123.175 0.025 . 1 . . . . . 44 A N 11 52137 1 203 . 1 . 1 45 45 PRO C C 13 174.324 0.000 . 1 . . . . . 45 P C 1 52137 1 204 . 1 . 1 45 45 PRO CA C 13 62.571 0.154 . 1 . . . . . 45 P CA 3 52137 1 205 . 1 . 1 45 45 PRO CB C 13 35.130 0.029 . 1 . . . . . 45 P CB 2 52137 1 206 . 1 . 1 46 46 ALA H H 1 8.493 0.001 . 1 . . . . . 46 A H 10 52137 1 207 . 1 . 1 46 46 ALA C C 13 177.478 0.000 . 1 . . . . . 46 A C 1 52137 1 208 . 1 . 1 46 46 ALA CA C 13 50.728 0.047 . 1 . . . . . 46 A CA 5 52137 1 209 . 1 . 1 46 46 ALA CB C 13 22.353 0.062 . 1 . . . . . 46 A CB 3 52137 1 210 . 1 . 1 46 46 ALA N N 15 121.720 0.030 . 1 . . . . . 46 A N 10 52137 1 211 . 1 . 1 47 47 CYS H H 1 9.039 0.005 . 1 . . . . . 47 C H 10 52137 1 212 . 1 . 1 47 47 CYS C C 13 173.144 0.000 . 1 . . . . . 47 C C 1 52137 1 213 . 1 . 1 47 47 CYS CA C 13 56.469 0.050 . 1 . . . . . 47 C CA 5 52137 1 214 . 1 . 1 47 47 CYS CB C 13 30.348 0.029 . 1 . . . . . 47 C CB 3 52137 1 215 . 1 . 1 47 47 CYS N N 15 113.585 0.020 . 1 . . . . . 47 C N 10 52137 1 216 . 1 . 1 48 48 ALA H H 1 7.428 0.004 . 1 . . . . . 48 A H 10 52137 1 217 . 1 . 1 48 48 ALA C C 13 175.027 0.000 . 1 . . . . . 48 A C 1 52137 1 218 . 1 . 1 48 48 ALA CA C 13 52.656 0.043 . 1 . . . . . 48 A CA 5 52137 1 219 . 1 . 1 48 48 ALA CB C 13 23.048 0.007 . 1 . . . . . 48 A CB 3 52137 1 220 . 1 . 1 48 48 ALA N N 15 121.666 0.038 . 1 . . . . . 48 A N 10 52137 1 221 . 1 . 1 49 49 LEU H H 1 8.567 0.003 . 1 . . . . . 49 L H 10 52137 1 222 . 1 . 1 49 49 LEU C C 13 173.844 0.000 . 1 . . . . . 49 L C 1 52137 1 223 . 1 . 1 49 49 LEU CA C 13 54.308 0.069 . 1 . . . . . 49 L CA 5 52137 1 224 . 1 . 1 49 49 LEU CB C 13 45.721 0.040 . 1 . . . . . 49 L CB 3 52137 1 225 . 1 . 1 49 49 LEU N N 15 123.182 0.026 . 1 . . . . . 49 L N 10 52137 1 226 . 1 . 1 50 50 LEU H H 1 9.786 0.004 . 1 . . . . . 50 L H 10 52137 1 227 . 1 . 1 50 50 LEU C C 13 173.684 0.000 . 1 . . . . . 50 L C 1 52137 1 228 . 1 . 1 50 50 LEU CA C 13 55.669 0.284 . 1 . . . . . 50 L CA 7 52137 1 229 . 1 . 1 50 50 LEU CB C 13 43.704 0.059 . 1 . . . . . 50 L CB 3 52137 1 230 . 1 . 1 50 50 LEU N N 15 127.331 0.022 . 1 . . . . . 50 L N 10 52137 1 231 . 1 . 1 51 51 LEU H H 1 8.163 0.009 . 1 . . . . . 51 L H 12 52137 1 232 . 1 . 1 51 51 LEU C C 13 173.650 0.000 . 1 . . . . . 51 L C 1 52137 1 233 . 1 . 1 51 51 LEU CA C 13 53.504 0.155 . 1 . . . . . 51 L CA 6 52137 1 234 . 1 . 1 51 51 LEU CB C 13 46.997 0.050 . 1 . . . . . 51 L CB 3 52137 1 235 . 1 . 1 51 51 LEU N N 15 122.957 0.100 . 1 . . . . . 51 L N 12 52137 1 236 . 1 . 1 52 52 LEU H H 1 9.602 0.003 . 1 . . . . . 52 L H 11 52137 1 237 . 1 . 1 52 52 LEU C C 13 175.798 0.000 . 1 . . . . . 52 L C 1 52137 1 238 . 1 . 1 52 52 LEU CA C 13 53.894 0.003 . 1 . . . . . 52 L CA 5 52137 1 239 . 1 . 1 52 52 LEU CB C 13 44.982 0.088 . 1 . . . . . 52 L CB 2 52137 1 240 . 1 . 1 52 52 LEU N N 15 130.936 0.032 . 1 . . . . . 52 L N 11 52137 1 241 . 1 . 1 53 53 PHE H H 1 9.025 0.004 . 1 . . . . . 53 F H 9 52137 1 242 . 1 . 1 53 53 PHE CA C 13 54.285 0.006 . 1 . . . . . 53 F CA 2 52137 1 243 . 1 . 1 53 53 PHE CB C 13 40.745 0.000 . 1 . . . . . 53 F CB 1 52137 1 244 . 1 . 1 53 53 PHE N N 15 122.902 0.024 . 1 . . . . . 53 F N 9 52137 1 245 . 1 . 1 54 54 PRO C C 13 175.518 0.000 . 1 . . . . . 54 P C 1 52137 1 246 . 1 . 1 54 54 PRO CA C 13 62.032 0.019 . 1 . . . . . 54 P CA 4 52137 1 247 . 1 . 1 54 54 PRO CB C 13 31.293 0.022 . 1 . . . . . 54 P CB 2 52137 1 248 . 1 . 1 55 55 LEU H H 1 8.435 0.002 . 1 . . . . . 55 L H 11 52137 1 249 . 1 . 1 55 55 LEU C C 13 176.475 0.000 . 1 . . . . . 55 L C 1 52137 1 250 . 1 . 1 55 55 LEU CA C 13 54.787 0.100 . 1 . . . . . 55 L CA 6 52137 1 251 . 1 . 1 55 55 LEU CB C 13 40.828 0.040 . 1 . . . . . 55 L CB 3 52137 1 252 . 1 . 1 55 55 LEU N N 15 124.529 0.024 . 1 . . . . . 55 L N 11 52137 1 253 . 1 . 1 56 56 THR H H 1 7.109 0.002 . 1 . . . . . 56 T H 11 52137 1 254 . 1 . 1 56 56 THR CA C 13 59.729 0.023 . 1 . . . . . 56 T CA 2 52137 1 255 . 1 . 1 56 56 THR CB C 13 72.577 0.000 . 1 . . . . . 56 T CB 1 52137 1 256 . 1 . 1 56 56 THR N N 15 114.755 0.016 . 1 . . . . . 56 T N 11 52137 1 257 . 1 . 1 57 57 ALA H H 1 8.951 0.000 . 1 . . . . . 57 A H 0 52137 1 258 . 1 . 1 57 57 ALA C C 13 180.694 0.000 . 1 . . . . . 57 A C 1 52137 1 259 . 1 . 1 57 57 ALA CA C 13 55.345 0.077 . 1 . . . . . 57 A CA 4 52137 1 260 . 1 . 1 57 57 ALA CB C 13 17.858 0.006 . 1 . . . . . 57 A CB 2 52137 1 261 . 1 . 1 57 57 ALA N N 15 124.135 0.000 . 1 . . . . . 57 A N 0 52137 1 262 . 1 . 1 58 58 GLN H H 1 8.638 0.002 . 1 . . . . . 58 Q H 11 52137 1 263 . 1 . 1 58 58 GLN C C 13 178.474 0.000 . 1 . . . . . 58 Q C 1 52137 1 264 . 1 . 1 58 58 GLN CA C 13 59.399 0.099 . 1 . . . . . 58 Q CA 5 52137 1 265 . 1 . 1 58 58 GLN CB C 13 27.481 0.112 . 1 . . . . . 58 Q CB 3 52137 1 266 . 1 . 1 58 58 GLN N N 15 117.547 0.030 . 1 . . . . . 58 Q N 11 52137 1 267 . 1 . 1 59 59 HIS H H 1 8.014 0.006 . 1 . . . . . 59 H H 9 52137 1 268 . 1 . 1 59 59 HIS C C 13 177.243 0.000 . 1 . . . . . 59 H C 1 52137 1 269 . 1 . 1 59 59 HIS CA C 13 60.576 0.104 . 1 . . . . . 59 H CA 5 52137 1 270 . 1 . 1 59 59 HIS CB C 13 31.822 0.036 . 1 . . . . . 59 H CB 3 52137 1 271 . 1 . 1 59 59 HIS N N 15 123.131 0.022 . 1 . . . . . 59 H N 9 52137 1 272 . 1 . 1 60 60 GLU H H 1 8.150 0.008 . 1 . . . . . 60 E H 11 52137 1 273 . 1 . 1 60 60 GLU C C 13 180.123 0.000 . 1 . . . . . 60 E C 1 52137 1 274 . 1 . 1 60 60 GLU CA C 13 59.021 0.147 . 1 . . . . . 60 E CA 5 52137 1 275 . 1 . 1 60 60 GLU CB C 13 29.138 0.041 . 1 . . . . . 60 E CB 3 52137 1 276 . 1 . 1 60 60 GLU N N 15 117.689 0.050 . 1 . . . . . 60 E N 11 52137 1 277 . 1 . 1 61 61 ASN H H 1 8.184 0.001 . 1 . . . . . 61 N H 10 52137 1 278 . 1 . 1 61 61 ASN C C 13 177.674 0.000 . 1 . . . . . 61 N C 1 52137 1 279 . 1 . 1 61 61 ASN CA C 13 56.276 0.024 . 1 . . . . . 61 N CA 5 52137 1 280 . 1 . 1 61 61 ASN CB C 13 38.190 0.059 . 1 . . . . . 61 N CB 3 52137 1 281 . 1 . 1 61 61 ASN N N 15 118.863 0.024 . 1 . . . . . 61 N N 10 52137 1 282 . 1 . 1 62 62 PHE H H 1 8.348 0.002 . 1 . . . . . 62 F H 10 52137 1 283 . 1 . 1 62 62 PHE C C 13 177.464 0.000 . 1 . . . . . 62 F C 1 52137 1 284 . 1 . 1 62 62 PHE CA C 13 61.333 0.118 . 1 . . . . . 62 F CA 5 52137 1 285 . 1 . 1 62 62 PHE CB C 13 38.159 0.060 . 1 . . . . . 62 F CB 3 52137 1 286 . 1 . 1 62 62 PHE N N 15 124.021 0.015 . 1 . . . . . 62 F N 10 52137 1 287 . 1 . 1 63 63 ARG H H 1 8.521 0.002 . 1 . . . . . 63 R H 10 52137 1 288 . 1 . 1 63 63 ARG C C 13 178.168 0.000 . 1 . . . . . 63 R C 1 52137 1 289 . 1 . 1 63 63 ARG CA C 13 57.187 0.144 . 1 . . . . . 63 R CA 5 52137 1 290 . 1 . 1 63 63 ARG CB C 13 31.661 0.048 . 1 . . . . . 63 R CB 3 52137 1 291 . 1 . 1 63 63 ARG N N 15 117.787 0.016 . 1 . . . . . 63 R N 10 52137 1 292 . 1 . 1 64 64 LYS H H 1 7.618 0.003 . 1 . . . . . 64 K H 10 52137 1 293 . 1 . 1 64 64 LYS C C 13 179.375 0.000 . 1 . . . . . 64 K C 1 52137 1 294 . 1 . 1 64 64 LYS CA C 13 60.096 0.043 . 1 . . . . . 64 K CA 5 52137 1 295 . 1 . 1 64 64 LYS CB C 13 32.391 0.053 . 1 . . . . . 64 K CB 3 52137 1 296 . 1 . 1 64 64 LYS N N 15 116.740 0.028 . 1 . . . . . 64 K N 10 52137 1 297 . 1 . 1 65 65 LYS H H 1 7.134 0.001 . 1 . . . . . 65 K H 10 52137 1 298 . 1 . 1 65 65 LYS C C 13 178.010 0.000 . 1 . . . . . 65 K C 1 52137 1 299 . 1 . 1 65 65 LYS CA C 13 58.638 0.225 . 1 . . . . . 65 K CA 5 52137 1 300 . 1 . 1 65 65 LYS CB C 13 32.304 0.011 . 1 . . . . . 65 K CB 3 52137 1 301 . 1 . 1 65 65 LYS N N 15 119.013 0.027 . 1 . . . . . 65 K N 10 52137 1 302 . 1 . 1 66 66 GLN H H 1 8.302 0.001 . 1 . . . . . 66 Q H 10 52137 1 303 . 1 . 1 66 66 GLN C C 13 178.276 0.000 . 1 . . . . . 66 Q C 1 52137 1 304 . 1 . 1 66 66 GLN CA C 13 59.061 0.113 . 1 . . . . . 66 Q CA 5 52137 1 305 . 1 . 1 66 66 GLN CB C 13 29.486 0.081 . 1 . . . . . 66 Q CB 3 52137 1 306 . 1 . 1 66 66 GLN N N 15 122.372 0.035 . 1 . . . . . 66 Q N 10 52137 1 307 . 1 . 1 67 67 ILE H H 1 8.526 0.003 . 1 . . . . . 67 I H 10 52137 1 308 . 1 . 1 67 67 ILE C C 13 177.953 0.000 . 1 . . . . . 67 I C 1 52137 1 309 . 1 . 1 67 67 ILE CA C 13 66.166 0.113 . 1 . . . . . 67 I CA 5 52137 1 310 . 1 . 1 67 67 ILE CB C 13 38.676 0.151 . 1 . . . . . 67 I CB 3 52137 1 311 . 1 . 1 67 67 ILE N N 15 117.121 0.054 . 1 . . . . . 67 I N 10 52137 1 312 . 1 . 1 68 68 GLU H H 1 6.956 0.001 . 1 . . . . . 68 E H 10 52137 1 313 . 1 . 1 68 68 GLU C C 13 179.024 0.000 . 1 . . . . . 68 E C 1 52137 1 314 . 1 . 1 68 68 GLU CA C 13 58.474 0.179 . 1 . . . . . 68 E CA 5 52137 1 315 . 1 . 1 68 68 GLU CB C 13 29.697 0.154 . 1 . . . . . 68 E CB 3 52137 1 316 . 1 . 1 68 68 GLU N N 15 116.358 0.020 . 1 . . . . . 68 E N 10 52137 1 317 . 1 . 1 69 69 GLU H H 1 7.881 0.003 . 1 . . . . . 69 E H 10 52137 1 318 . 1 . 1 69 69 GLU C C 13 178.406 0.000 . 1 . . . . . 69 E C 1 52137 1 319 . 1 . 1 69 69 GLU CA C 13 58.328 0.007 . 1 . . . . . 69 E CA 3 52137 1 320 . 1 . 1 69 69 GLU CB C 13 29.768 0.143 . 1 . . . . . 69 E CB 2 52137 1 321 . 1 . 1 69 69 GLU N N 15 118.114 0.021 . 1 . . . . . 69 E N 10 52137 1 322 . 1 . 1 70 70 LEU H H 1 7.868 0.007 . 1 . . . . . 70 L H 7 52137 1 323 . 1 . 1 70 70 LEU C C 13 176.974 0.000 . 1 . . . . . 70 L C 1 52137 1 324 . 1 . 1 70 70 LEU CA C 13 54.888 0.081 . 1 . . . . . 70 L CA 5 52137 1 325 . 1 . 1 70 70 LEU CB C 13 42.087 0.057 . 1 . . . . . 70 L CB 3 52137 1 326 . 1 . 1 70 70 LEU N N 15 118.130 0.018 . 1 . . . . . 70 L N 7 52137 1 327 . 1 . 1 71 71 LYS H H 1 7.217 0.001 . 1 . . . . . 71 K H 10 52137 1 328 . 1 . 1 71 71 LYS C C 13 177.251 0.000 . 1 . . . . . 71 K C 1 52137 1 329 . 1 . 1 71 71 LYS CA C 13 58.788 0.114 . 1 . . . . . 71 K CA 5 52137 1 330 . 1 . 1 71 71 LYS CB C 13 32.190 0.109 . 1 . . . . . 71 K CB 3 52137 1 331 . 1 . 1 71 71 LYS N N 15 120.002 0.016 . 1 . . . . . 71 K N 10 52137 1 332 . 1 . 1 72 72 GLY H H 1 8.612 0.005 . 1 . . . . . 72 G H 9 52137 1 333 . 1 . 1 72 72 GLY C C 13 174.749 0.000 . 1 . . . . . 72 G C 1 52137 1 334 . 1 . 1 72 72 GLY CA C 13 44.983 0.030 . 1 . . . . . 72 G CA 6 52137 1 335 . 1 . 1 72 72 GLY N N 15 110.964 0.057 . 1 . . . . . 72 G N 9 52137 1 336 . 1 . 1 73 73 GLN H H 1 7.609 0.001 . 1 . . . . . 73 Q H 9 52137 1 337 . 1 . 1 73 73 GLN C C 13 175.129 0.000 . 1 . . . . . 73 Q C 1 52137 1 338 . 1 . 1 73 73 GLN CA C 13 55.903 0.058 . 1 . . . . . 73 Q CA 6 52137 1 339 . 1 . 1 73 73 GLN CB C 13 28.410 0.027 . 1 . . . . . 73 Q CB 3 52137 1 340 . 1 . 1 73 73 GLN N N 15 119.532 0.013 . 1 . . . . . 73 Q N 9 52137 1 341 . 1 . 1 74 74 GLU H H 1 8.619 0.001 . 1 . . . . . 74 E H 11 52137 1 342 . 1 . 1 74 74 GLU C C 13 175.406 0.000 . 1 . . . . . 74 E C 1 52137 1 343 . 1 . 1 74 74 GLU CA C 13 55.973 0.050 . 1 . . . . . 74 E CA 6 52137 1 344 . 1 . 1 74 74 GLU CB C 13 30.774 0.007 . 1 . . . . . 74 E CB 3 52137 1 345 . 1 . 1 74 74 GLU N N 15 124.004 0.015 . 1 . . . . . 74 E N 11 52137 1 346 . 1 . 1 75 75 VAL H H 1 8.305 0.002 . 1 . . . . . 75 V H 11 52137 1 347 . 1 . 1 75 75 VAL C C 13 175.479 0.000 . 1 . . . . . 75 V C 1 52137 1 348 . 1 . 1 75 75 VAL CA C 13 60.790 0.065 . 1 . . . . . 75 V CA 6 52137 1 349 . 1 . 1 75 75 VAL CB C 13 34.445 0.103 . 1 . . . . . 75 V CB 3 52137 1 350 . 1 . 1 75 75 VAL N N 15 123.186 0.016 . 1 . . . . . 75 V N 11 52137 1 351 . 1 . 1 76 76 SER H H 1 7.984 0.001 . 1 . . . . . 76 S H 11 52137 1 352 . 1 . 1 76 76 SER CA C 13 55.878 0.076 . 1 . . . . . 76 S CA 2 52137 1 353 . 1 . 1 76 76 SER CB C 13 63.714 0.000 . 1 . . . . . 76 S CB 1 52137 1 354 . 1 . 1 76 76 SER N N 15 121.109 0.017 . 1 . . . . . 76 S N 11 52137 1 355 . 1 . 1 77 77 PRO C C 13 176.560 0.000 . 1 . . . . . 77 P C 1 52137 1 356 . 1 . 1 77 77 PRO CA C 13 63.866 0.034 . 1 . . . . . 77 P CA 4 52137 1 357 . 1 . 1 77 77 PRO CB C 13 32.055 0.000 . 1 . . . . . 77 P CB 2 52137 1 358 . 1 . 1 78 78 LYS H H 1 8.127 0.001 . 1 . . . . . 78 K H 11 52137 1 359 . 1 . 1 78 78 LYS C C 13 177.698 0.000 . 1 . . . . . 78 K C 1 52137 1 360 . 1 . 1 78 78 LYS CA C 13 56.939 0.106 . 1 . . . . . 78 K CA 6 52137 1 361 . 1 . 1 78 78 LYS CB C 13 33.142 0.108 . 1 . . . . . 78 K CB 3 52137 1 362 . 1 . 1 78 78 LYS N N 15 116.431 0.020 . 1 . . . . . 78 K N 11 52137 1 363 . 1 . 1 79 79 VAL H H 1 7.090 0.001 . 1 . . . . . 79 V H 11 52137 1 364 . 1 . 1 79 79 VAL C C 13 175.054 0.000 . 1 . . . . . 79 V C 1 52137 1 365 . 1 . 1 79 79 VAL CA C 13 63.537 0.037 . 1 . . . . . 79 V CA 6 52137 1 366 . 1 . 1 79 79 VAL CB C 13 31.397 0.079 . 1 . . . . . 79 V CB 3 52137 1 367 . 1 . 1 79 79 VAL N N 15 118.112 0.034 . 1 . . . . . 79 V N 11 52137 1 368 . 1 . 1 80 80 TYR H H 1 9.582 0.001 . 1 . . . . . 80 Y H 11 52137 1 369 . 1 . 1 80 80 TYR C C 13 173.516 0.000 . 1 . . . . . 80 Y C 1 52137 1 370 . 1 . 1 80 80 TYR CA C 13 58.808 0.110 . 1 . . . . . 80 Y CA 5 52137 1 371 . 1 . 1 80 80 TYR CB C 13 38.284 0.076 . 1 . . . . . 80 Y CB 3 52137 1 372 . 1 . 1 80 80 TYR N N 15 133.621 0.038 . 1 . . . . . 80 Y N 11 52137 1 373 . 1 . 1 81 81 PHE H H 1 6.841 0.004 . 1 . . . . . 81 F H 10 52137 1 374 . 1 . 1 81 81 PHE C C 13 171.874 0.000 . 1 . . . . . 81 F C 1 52137 1 375 . 1 . 1 81 81 PHE CA C 13 55.497 0.139 . 1 . . . . . 81 F CA 5 52137 1 376 . 1 . 1 81 81 PHE CB C 13 43.498 0.054 . 1 . . . . . 81 F CB 3 52137 1 377 . 1 . 1 81 81 PHE N N 15 128.966 0.022 . 1 . . . . . 81 F N 10 52137 1 378 . 1 . 1 82 82 MET H H 1 11.979 0.005 . 1 . . . . . 82 M H 10 52137 1 379 . 1 . 1 82 82 MET C C 13 170.667 0.000 . 1 . . . . . 82 M C 1 52137 1 380 . 1 . 1 82 82 MET CA C 13 53.606 0.106 . 1 . . . . . 82 M CA 5 52137 1 381 . 1 . 1 82 82 MET CB C 13 38.902 0.066 . 1 . . . . . 82 M CB 3 52137 1 382 . 1 . 1 82 82 MET N N 15 133.501 0.023 . 1 . . . . . 82 M N 10 52137 1 383 . 1 . 1 83 83 LYS H H 1 5.740 0.002 . 1 . . . . . 83 K H 10 52137 1 384 . 1 . 1 83 83 LYS CA C 13 54.150 0.000 . 1 . . . . . 83 K CA 2 52137 1 385 . 1 . 1 83 83 LYS CB C 13 32.598 0.000 . 1 . . . . . 83 K CB 1 52137 1 386 . 1 . 1 83 83 LYS N N 15 114.517 0.022 . 1 . . . . . 83 K N 10 52137 1 387 . 1 . 1 84 84 GLN C C 13 175.738 0.000 . 1 . . . . . 84 Q C 1 52137 1 388 . 1 . 1 84 84 GLN CA C 13 55.070 0.127 . 1 . . . . . 84 Q CA 3 52137 1 389 . 1 . 1 84 84 GLN CB C 13 28.939 0.014 . 1 . . . . . 84 Q CB 2 52137 1 390 . 1 . 1 85 85 THR H H 1 8.601 0.005 . 1 . . . . . 85 T H 10 52137 1 391 . 1 . 1 85 85 THR C C 13 174.305 0.000 . 1 . . . . . 85 T C 1 52137 1 392 . 1 . 1 85 85 THR CA C 13 61.581 0.089 . 1 . . . . . 85 T CA 5 52137 1 393 . 1 . 1 85 85 THR CB C 13 70.033 0.147 . 1 . . . . . 85 T CB 3 52137 1 394 . 1 . 1 85 85 THR N N 15 118.115 0.027 . 1 . . . . . 85 T N 10 52137 1 395 . 1 . 1 86 86 ILE H H 1 7.969 0.006 . 1 . . . . . 86 I H 10 52137 1 396 . 1 . 1 86 86 ILE CA C 13 59.880 0.045 . 1 . . . . . 86 I CA 2 52137 1 397 . 1 . 1 86 86 ILE CB C 13 40.042 0.000 . 1 . . . . . 86 I CB 1 52137 1 398 . 1 . 1 86 86 ILE N N 15 121.138 0.025 . 1 . . . . . 86 I N 10 52137 1 399 . 1 . 1 87 87 GLY H H 1 9.156 0.000 . 1 . . . . . 87 G H 0 52137 1 400 . 1 . 1 87 87 GLY N N 15 117.267 0.000 . 1 . . . . . 87 G N 0 52137 1 401 . 1 . 1 88 88 ASN C C 13 174.791 0.000 . 1 . . . . . 88 N C 1 52137 1 402 . 1 . 1 89 89 SER H H 1 7.534 0.002 . 1 . . . . . 89 S H 5 52137 1 403 . 1 . 1 89 89 SER C C 13 176.488 0.000 . 1 . . . . . 89 S C 1 52137 1 404 . 1 . 1 89 89 SER CA C 13 59.018 0.139 . 1 . . . . . 89 S CA 4 52137 1 405 . 1 . 1 89 89 SER CB C 13 65.641 0.064 . 1 . . . . . 89 S CB 2 52137 1 406 . 1 . 1 89 89 SER N N 15 107.078 0.019 . 1 . . . . . 89 S N 5 52137 1 407 . 1 . 1 90 90 CYS H H 1 8.744 0.006 . 1 . . . . . 90 C H 8 52137 1 408 . 1 . 1 90 90 CYS C C 13 177.494 0.000 . 1 . . . . . 90 C C 1 52137 1 409 . 1 . 1 90 90 CYS CA C 13 61.523 0.083 . 1 . . . . . 90 C CA 5 52137 1 410 . 1 . 1 90 90 CYS CB C 13 28.311 0.122 . 1 . . . . . 90 C CB 3 52137 1 411 . 1 . 1 90 90 CYS N N 15 121.492 0.045 . 1 . . . . . 90 C N 8 52137 1 412 . 1 . 1 91 91 GLY H H 1 9.372 0.003 . 1 . . . . . 91 G H 9 52137 1 413 . 1 . 1 91 91 GLY C C 13 173.715 0.000 . 1 . . . . . 91 G C 1 52137 1 414 . 1 . 1 91 91 GLY CA C 13 46.851 0.055 . 1 . . . . . 91 G CA 5 52137 1 415 . 1 . 1 91 91 GLY N N 15 116.403 0.021 . 1 . . . . . 91 G N 9 52137 1 416 . 1 . 1 92 92 THR H H 1 6.941 0.006 . 1 . . . . . 92 T H 7 52137 1 417 . 1 . 1 92 92 THR C C 13 176.201 0.000 . 1 . . . . . 92 T C 1 52137 1 418 . 1 . 1 92 92 THR CA C 13 66.638 0.075 . 1 . . . . . 92 T CA 3 52137 1 419 . 1 . 1 92 92 THR CB C 13 67.767 0.044 . 1 . . . . . 92 T CB 2 52137 1 420 . 1 . 1 92 92 THR N N 15 122.017 0.039 . 1 . . . . . 92 T N 7 52137 1 421 . 1 . 1 93 93 ILE H H 1 8.797 0.002 . 1 . . . . . 93 I H 8 52137 1 422 . 1 . 1 93 93 ILE C C 13 177.188 0.000 . 1 . . . . . 93 I C 1 52137 1 423 . 1 . 1 93 93 ILE CA C 13 63.970 0.063 . 1 . . . . . 93 I CA 5 52137 1 424 . 1 . 1 93 93 ILE CB C 13 36.362 0.108 . 1 . . . . . 93 I CB 3 52137 1 425 . 1 . 1 93 93 ILE N N 15 121.214 0.029 . 1 . . . . . 93 I N 8 52137 1 426 . 1 . 1 94 94 GLY H H 1 8.013 0.003 . 1 . . . . . 94 G H 10 52137 1 427 . 1 . 1 94 94 GLY C C 13 174.553 0.000 . 1 . . . . . 94 G C 1 52137 1 428 . 1 . 1 94 94 GLY CA C 13 47.431 0.105 . 1 . . . . . 94 G CA 6 52137 1 429 . 1 . 1 94 94 GLY N N 15 107.709 0.143 . 1 . . . . . 94 G N 10 52137 1 430 . 1 . 1 95 95 LEU H H 1 7.941 0.006 . 1 . . . . . 95 L H 9 52137 1 431 . 1 . 1 95 95 LEU C C 13 178.120 0.000 . 1 . . . . . 95 L C 1 52137 1 432 . 1 . 1 95 95 LEU CA C 13 60.293 0.061 . 1 . . . . . 95 L CA 5 52137 1 433 . 1 . 1 95 95 LEU CB C 13 42.361 0.177 . 1 . . . . . 95 L CB 4 52137 1 434 . 1 . 1 95 95 LEU N N 15 122.206 0.067 . 1 . . . . . 95 L N 9 52137 1 435 . 1 . 1 96 96 ILE H H 1 8.755 0.003 . 1 . . . . . 96 I H 10 52137 1 436 . 1 . 1 96 96 ILE C C 13 177.870 0.000 . 1 . . . . . 96 I C 1 52137 1 437 . 1 . 1 96 96 ILE CA C 13 67.461 0.045 . 1 . . . . . 96 I CA 5 52137 1 438 . 1 . 1 96 96 ILE CB C 13 37.220 0.008 . 1 . . . . . 96 I CB 3 52137 1 439 . 1 . 1 96 96 ILE N N 15 121.214 0.039 . 1 . . . . . 96 I N 10 52137 1 440 . 1 . 1 97 97 HIS H H 1 9.147 0.004 . 1 . . . . . 97 H H 10 52137 1 441 . 1 . 1 97 97 HIS C C 13 178.168 0.000 . 1 . . . . . 97 H C 1 52137 1 442 . 1 . 1 97 97 HIS CA C 13 59.434 0.084 . 1 . . . . . 97 H CA 5 52137 1 443 . 1 . 1 97 97 HIS CB C 13 30.167 0.044 . 1 . . . . . 97 H CB 3 52137 1 444 . 1 . 1 97 97 HIS N N 15 118.286 0.019 . 1 . . . . . 97 H N 10 52137 1 445 . 1 . 1 98 98 ALA H H 1 8.634 0.002 . 1 . . . . . 98 A H 10 52137 1 446 . 1 . 1 98 98 ALA C C 13 178.672 0.000 . 1 . . . . . 98 A C 1 52137 1 447 . 1 . 1 98 98 ALA CA C 13 54.948 0.067 . 1 . . . . . 98 A CA 5 52137 1 448 . 1 . 1 98 98 ALA CB C 13 17.682 0.050 . 1 . . . . . 98 A CB 3 52137 1 449 . 1 . 1 98 98 ALA N N 15 123.357 0.038 . 1 . . . . . 98 A N 10 52137 1 450 . 1 . 1 99 99 VAL H H 1 8.416 0.003 . 1 . . . . . 99 V H 10 52137 1 451 . 1 . 1 99 99 VAL C C 13 178.480 0.000 . 1 . . . . . 99 V C 1 52137 1 452 . 1 . 1 99 99 VAL CA C 13 65.669 0.014 . 1 . . . . . 99 V CA 5 52137 1 453 . 1 . 1 99 99 VAL CB C 13 31.892 0.048 . 1 . . . . . 99 V CB 3 52137 1 454 . 1 . 1 99 99 VAL N N 15 117.559 0.032 . 1 . . . . . 99 V N 10 52137 1 455 . 1 . 1 100 100 ALA H H 1 9.288 0.001 . 1 . . . . . 100 A H 10 52137 1 456 . 1 . 1 100 100 ALA C C 13 179.711 0.000 . 1 . . . . . 100 A C 1 52137 1 457 . 1 . 1 100 100 ALA CA C 13 54.577 0.252 . 1 . . . . . 100 A CA 6 52137 1 458 . 1 . 1 100 100 ALA CB C 13 20.902 0.072 . 1 . . . . . 100 A CB 3 52137 1 459 . 1 . 1 100 100 ALA N N 15 118.655 0.011 . 1 . . . . . 100 A N 10 52137 1 460 . 1 . 1 101 101 ASN H H 1 7.177 0.006 . 1 . . . . . 101 N H 10 52137 1 461 . 1 . 1 101 101 ASN C C 13 173.203 0.000 . 1 . . . . . 101 N C 1 52137 1 462 . 1 . 1 101 101 ASN CA C 13 54.413 0.028 . 1 . . . . . 101 N CA 5 52137 1 463 . 1 . 1 101 101 ASN CB C 13 39.533 0.038 . 1 . . . . . 101 N CB 3 52137 1 464 . 1 . 1 101 101 ASN N N 15 109.505 0.066 . 1 . . . . . 101 N N 10 52137 1 465 . 1 . 1 102 102 ASN H H 1 7.689 0.006 . 1 . . . . . 102 N H 11 52137 1 466 . 1 . 1 102 102 ASN C C 13 175.975 0.000 . 1 . . . . . 102 N C 1 52137 1 467 . 1 . 1 102 102 ASN CA C 13 54.140 0.062 . 1 . . . . . 102 N CA 6 52137 1 468 . 1 . 1 102 102 ASN CB C 13 40.719 0.071 . 1 . . . . . 102 N CB 3 52137 1 469 . 1 . 1 102 102 ASN N N 15 118.991 0.029 . 1 . . . . . 102 N N 11 52137 1 470 . 1 . 1 103 103 GLN H H 1 8.349 0.008 . 1 . . . . . 103 Q H 11 52137 1 471 . 1 . 1 103 103 GLN C C 13 175.405 0.000 . 1 . . . . . 103 Q C 1 52137 1 472 . 1 . 1 103 103 GLN CA C 13 60.022 0.047 . 1 . . . . . 103 Q CA 6 52137 1 473 . 1 . 1 103 103 GLN CB C 13 29.702 0.046 . 1 . . . . . 103 Q CB 3 52137 1 474 . 1 . 1 103 103 GLN N N 15 120.587 0.051 . 1 . . . . . 103 Q N 11 52137 1 475 . 1 . 1 104 104 ASP H H 1 9.130 0.002 . 1 . . . . . 104 D H 11 52137 1 476 . 1 . 1 104 104 ASP C C 13 176.341 0.000 . 1 . . . . . 104 D C 1 52137 1 477 . 1 . 1 104 104 ASP CA C 13 54.890 0.073 . 1 . . . . . 104 D CA 6 52137 1 478 . 1 . 1 104 104 ASP CB C 13 39.399 0.014 . 1 . . . . . 104 D CB 3 52137 1 479 . 1 . 1 104 104 ASP N N 15 115.324 0.028 . 1 . . . . . 104 D N 11 52137 1 480 . 1 . 1 105 105 LYS H H 1 7.438 0.002 . 1 . . . . . 105 K H 11 52137 1 481 . 1 . 1 105 105 LYS C C 13 175.499 0.000 . 1 . . . . . 105 K C 1 52137 1 482 . 1 . 1 105 105 LYS CA C 13 56.817 0.084 . 1 . . . . . 105 K CA 6 52137 1 483 . 1 . 1 105 105 LYS CB C 13 34.537 0.078 . 1 . . . . . 105 K CB 3 52137 1 484 . 1 . 1 105 105 LYS N N 15 117.768 0.015 . 1 . . . . . 105 K N 11 52137 1 485 . 1 . 1 106 106 LEU H H 1 7.041 0.002 . 1 . . . . . 106 L H 11 52137 1 486 . 1 . 1 106 106 LEU C C 13 175.041 0.000 . 1 . . . . . 106 L C 1 52137 1 487 . 1 . 1 106 106 LEU CA C 13 54.955 0.076 . 1 . . . . . 106 L CA 6 52137 1 488 . 1 . 1 106 106 LEU CB C 13 42.904 0.061 . 1 . . . . . 106 L CB 3 52137 1 489 . 1 . 1 106 106 LEU N N 15 119.704 0.020 . 1 . . . . . 106 L N 11 52137 1 490 . 1 . 1 107 107 GLY H H 1 7.456 0.001 . 1 . . . . . 107 G H 10 52137 1 491 . 1 . 1 107 107 GLY C C 13 172.179 0.000 . 1 . . . . . 107 G C 1 52137 1 492 . 1 . 1 107 107 GLY CA C 13 43.676 0.068 . 1 . . . . . 107 G CA 6 52137 1 493 . 1 . 1 107 107 GLY N N 15 106.088 0.022 . 1 . . . . . 107 G N 10 52137 1 494 . 1 . 1 108 108 PHE H H 1 8.546 0.001 . 1 . . . . . 108 F H 9 52137 1 495 . 1 . 1 108 108 PHE C C 13 176.681 0.000 . 1 . . . . . 108 F C 1 52137 1 496 . 1 . 1 108 108 PHE CA C 13 57.078 0.095 . 1 . . . . . 108 F CA 6 52137 1 497 . 1 . 1 108 108 PHE CB C 13 43.086 0.110 . 1 . . . . . 108 F CB 3 52137 1 498 . 1 . 1 108 108 PHE N N 15 115.612 0.029 . 1 . . . . . 108 F N 9 52137 1 499 . 1 . 1 109 109 GLU H H 1 9.140 0.004 . 1 . . . . . 109 E H 11 52137 1 500 . 1 . 1 109 109 GLU C C 13 177.612 0.000 . 1 . . . . . 109 E C 1 52137 1 501 . 1 . 1 109 109 GLU CA C 13 55.165 0.087 . 1 . . . . . 109 E CA 6 52137 1 502 . 1 . 1 109 109 GLU CB C 13 30.728 0.027 . 1 . . . . . 109 E CB 3 52137 1 503 . 1 . 1 109 109 GLU N N 15 122.226 0.044 . 1 . . . . . 109 E N 11 52137 1 504 . 1 . 1 110 110 ASP H H 1 9.026 0.002 . 1 . . . . . 110 D H 11 52137 1 505 . 1 . 1 110 110 ASP CA C 13 56.401 0.023 . 1 . . . . . 110 D CA 2 52137 1 506 . 1 . 1 110 110 ASP CB C 13 40.340 0.000 . 1 . . . . . 110 D CB 1 52137 1 507 . 1 . 1 110 110 ASP N N 15 123.948 0.009 . 1 . . . . . 110 D N 11 52137 1 508 . 1 . 1 111 111 GLY C C 13 174.642 0.000 . 1 . . . . . 111 G C 1 52137 1 509 . 1 . 1 111 111 GLY CA C 13 45.312 0.000 . 1 . . . . . 111 G CA 4 52137 1 510 . 1 . 1 112 112 SER H H 1 7.491 0.006 . 1 . . . . . 112 S H 9 52137 1 511 . 1 . 1 112 112 SER C C 13 177.864 0.000 . 1 . . . . . 112 S C 1 52137 1 512 . 1 . 1 112 112 SER CA C 13 58.040 0.038 . 1 . . . . . 112 S CA 6 52137 1 513 . 1 . 1 112 112 SER CB C 13 64.488 0.041 . 1 . . . . . 112 S CB 3 52137 1 514 . 1 . 1 112 112 SER N N 15 112.097 0.056 . 1 . . . . . 112 S N 9 52137 1 515 . 1 . 1 113 113 VAL H H 1 8.987 0.002 . 1 . . . . . 113 V H 11 52137 1 516 . 1 . 1 113 113 VAL C C 13 178.917 0.000 . 1 . . . . . 113 V C 1 52137 1 517 . 1 . 1 113 113 VAL CA C 13 64.564 0.127 . 1 . . . . . 113 V CA 6 52137 1 518 . 1 . 1 113 113 VAL CB C 13 32.144 0.044 . 1 . . . . . 113 V CB 3 52137 1 519 . 1 . 1 113 113 VAL N N 15 128.812 0.018 . 1 . . . . . 113 V N 11 52137 1 520 . 1 . 1 114 114 LEU H H 1 7.860 0.002 . 1 . . . . . 114 L H 11 52137 1 521 . 1 . 1 114 114 LEU C C 13 176.872 0.000 . 1 . . . . . 114 L C 1 52137 1 522 . 1 . 1 114 114 LEU CA C 13 57.008 0.089 . 1 . . . . . 114 L CA 6 52137 1 523 . 1 . 1 114 114 LEU CB C 13 42.529 0.083 . 1 . . . . . 114 L CB 3 52137 1 524 . 1 . 1 114 114 LEU N N 15 121.282 0.024 . 1 . . . . . 114 L N 11 52137 1 525 . 1 . 1 115 115 LYS H H 1 7.897 0.011 . 1 . . . . . 115 K H 11 52137 1 526 . 1 . 1 115 115 LYS C C 13 177.958 0.000 . 1 . . . . . 115 K C 1 52137 1 527 . 1 . 1 115 115 LYS CA C 13 59.044 0.169 . 1 . . . . . 115 K CA 6 52137 1 528 . 1 . 1 115 115 LYS CB C 13 31.694 0.079 . 1 . . . . . 115 K CB 3 52137 1 529 . 1 . 1 115 115 LYS N N 15 121.413 0.038 . 1 . . . . . 115 K N 11 52137 1 530 . 1 . 1 116 116 GLN H H 1 7.119 0.001 . 1 . . . . . 116 Q H 11 52137 1 531 . 1 . 1 116 116 GLN C C 13 177.716 0.000 . 1 . . . . . 116 Q C 1 52137 1 532 . 1 . 1 116 116 GLN CA C 13 59.133 0.120 . 1 . . . . . 116 Q CA 6 52137 1 533 . 1 . 1 116 116 GLN CB C 13 28.045 0.026 . 1 . . . . . 116 Q CB 3 52137 1 534 . 1 . 1 116 116 GLN N N 15 116.453 0.023 . 1 . . . . . 116 Q N 11 52137 1 535 . 1 . 1 117 117 PHE H H 1 7.726 0.006 . 1 . . . . . 117 F H 11 52137 1 536 . 1 . 1 117 117 PHE C C 13 179.160 0.000 . 1 . . . . . 117 F C 1 52137 1 537 . 1 . 1 117 117 PHE CA C 13 61.472 0.090 . 1 . . . . . 117 F CA 6 52137 1 538 . 1 . 1 117 117 PHE CB C 13 40.022 0.066 . 1 . . . . . 117 F CB 3 52137 1 539 . 1 . 1 117 117 PHE N N 15 120.272 0.026 . 1 . . . . . 117 F N 11 52137 1 540 . 1 . 1 118 118 LEU H H 1 8.814 0.002 . 1 . . . . . 118 L H 11 52137 1 541 . 1 . 1 118 118 LEU C C 13 178.462 0.000 . 1 . . . . . 118 L C 1 52137 1 542 . 1 . 1 118 118 LEU CA C 13 57.823 0.060 . 1 . . . . . 118 L CA 6 52137 1 543 . 1 . 1 118 118 LEU CB C 13 39.967 0.029 . 1 . . . . . 118 L CB 3 52137 1 544 . 1 . 1 118 118 LEU N N 15 122.085 0.031 . 1 . . . . . 118 L N 11 52137 1 545 . 1 . 1 119 119 SER H H 1 8.036 0.001 . 1 . . . . . 119 S H 11 52137 1 546 . 1 . 1 119 119 SER C C 13 177.460 0.000 . 1 . . . . . 119 S C 1 52137 1 547 . 1 . 1 119 119 SER CA C 13 61.441 0.038 . 1 . . . . . 119 S CA 5 52137 1 548 . 1 . 1 119 119 SER CB C 13 62.740 0.027 . 1 . . . . . 119 S CB 3 52137 1 549 . 1 . 1 119 119 SER N N 15 114.970 0.021 . 1 . . . . . 119 S N 11 52137 1 550 . 1 . 1 120 120 GLU H H 1 8.104 0.002 . 1 . . . . . 120 E H 9 52137 1 551 . 1 . 1 120 120 GLU C C 13 178.953 0.000 . 1 . . . . . 120 E C 1 52137 1 552 . 1 . 1 120 120 GLU CA C 13 58.996 0.105 . 1 . . . . . 120 E CA 6 52137 1 553 . 1 . 1 120 120 GLU CB C 13 30.151 0.078 . 1 . . . . . 120 E CB 2 52137 1 554 . 1 . 1 120 120 GLU N N 15 120.689 0.029 . 1 . . . . . 120 E N 9 52137 1 555 . 1 . 1 121 121 THR H H 1 7.428 0.001 . 1 . . . . . 121 T H 11 52137 1 556 . 1 . 1 121 121 THR C C 13 176.306 0.000 . 1 . . . . . 121 T C 1 52137 1 557 . 1 . 1 121 121 THR CA C 13 60.851 0.171 . 1 . . . . . 121 T CA 6 52137 1 558 . 1 . 1 121 121 THR CB C 13 70.543 0.104 . 1 . . . . . 121 T CB 3 52137 1 559 . 1 . 1 121 121 THR N N 15 103.727 0.026 . 1 . . . . . 121 T N 11 52137 1 560 . 1 . 1 122 122 GLU H H 1 7.338 0.001 . 1 . . . . . 122 E H 11 52137 1 561 . 1 . 1 122 122 GLU C C 13 177.100 0.000 . 1 . . . . . 122 E C 1 52137 1 562 . 1 . 1 122 122 GLU CA C 13 60.977 0.095 . 1 . . . . . 122 E CA 6 52137 1 563 . 1 . 1 122 122 GLU CB C 13 30.525 0.071 . 1 . . . . . 122 E CB 3 52137 1 564 . 1 . 1 122 122 GLU N N 15 126.239 0.031 . 1 . . . . . 122 E N 11 52137 1 565 . 1 . 1 123 123 LYS H H 1 8.834 0.002 . 1 . . . . . 123 K H 11 52137 1 566 . 1 . 1 123 123 LYS C C 13 175.605 0.000 . 1 . . . . . 123 K C 1 52137 1 567 . 1 . 1 123 123 LYS CA C 13 54.814 0.092 . 1 . . . . . 123 K CA 6 52137 1 568 . 1 . 1 123 123 LYS CB C 13 31.871 0.008 . 1 . . . . . 123 K CB 3 52137 1 569 . 1 . 1 123 123 LYS N N 15 117.377 0.035 . 1 . . . . . 123 K N 11 52137 1 570 . 1 . 1 124 124 MET H H 1 6.805 0.001 . 1 . . . . . 124 M H 11 52137 1 571 . 1 . 1 124 124 MET C C 13 174.991 0.000 . 1 . . . . . 124 M C 1 52137 1 572 . 1 . 1 124 124 MET CA C 13 55.588 0.106 . 1 . . . . . 124 M CA 6 52137 1 573 . 1 . 1 124 124 MET CB C 13 36.479 0.066 . 1 . . . . . 124 M CB 3 52137 1 574 . 1 . 1 124 124 MET N N 15 119.007 0.027 . 1 . . . . . 124 M N 11 52137 1 575 . 1 . 1 125 125 SER H H 1 8.997 0.002 . 1 . . . . . 125 S H 11 52137 1 576 . 1 . 1 125 125 SER CA C 13 56.299 0.105 . 1 . . . . . 125 S CA 2 52137 1 577 . 1 . 1 125 125 SER CB C 13 63.041 0.000 . 1 . . . . . 125 S CB 1 52137 1 578 . 1 . 1 125 125 SER N N 15 116.387 0.012 . 1 . . . . . 125 S N 11 52137 1 579 . 1 . 1 126 126 PRO C C 13 179.501 0.000 . 1 . . . . . 126 P C 1 52137 1 580 . 1 . 1 126 126 PRO CA C 13 66.535 0.177 . 1 . . . . . 126 P CA 4 52137 1 581 . 1 . 1 126 126 PRO CB C 13 32.797 0.098 . 1 . . . . . 126 P CB 2 52137 1 582 . 1 . 1 127 127 GLU H H 1 8.928 0.002 . 1 . . . . . 127 E H 11 52137 1 583 . 1 . 1 127 127 GLU C C 13 178.844 0.000 . 1 . . . . . 127 E C 1 52137 1 584 . 1 . 1 127 127 GLU CA C 13 60.226 0.036 . 1 . . . . . 127 E CA 6 52137 1 585 . 1 . 1 127 127 GLU CB C 13 29.090 0.026 . 1 . . . . . 127 E CB 3 52137 1 586 . 1 . 1 127 127 GLU N N 15 116.994 0.015 . 1 . . . . . 127 E N 11 52137 1 587 . 1 . 1 128 128 ASP H H 1 8.061 0.003 . 1 . . . . . 128 D H 11 52137 1 588 . 1 . 1 128 128 ASP C C 13 179.753 0.000 . 1 . . . . . 128 D C 1 52137 1 589 . 1 . 1 128 128 ASP CA C 13 57.529 0.092 . 1 . . . . . 128 D CA 6 52137 1 590 . 1 . 1 128 128 ASP CB C 13 39.097 0.106 . 1 . . . . . 128 D CB 3 52137 1 591 . 1 . 1 128 128 ASP N N 15 123.995 0.012 . 1 . . . . . 128 D N 11 52137 1 592 . 1 . 1 129 129 ARG H H 1 8.945 0.008 . 1 . . . . . 129 R H 11 52137 1 593 . 1 . 1 129 129 ARG C C 13 178.223 0.000 . 1 . . . . . 129 R C 1 52137 1 594 . 1 . 1 129 129 ARG CA C 13 60.850 0.151 . 1 . . . . . 129 R CA 6 52137 1 595 . 1 . 1 129 129 ARG CB C 13 30.625 0.112 . 1 . . . . . 129 R CB 3 52137 1 596 . 1 . 1 129 129 ARG N N 15 121.979 0.035 . 1 . . . . . 129 R N 11 52137 1 597 . 1 . 1 130 130 ALA H H 1 7.350 0.002 . 1 . . . . . 130 A H 11 52137 1 598 . 1 . 1 130 130 ALA C C 13 179.499 0.000 . 1 . . . . . 130 A C 1 52137 1 599 . 1 . 1 130 130 ALA CA C 13 55.253 0.107 . 1 . . . . . 130 A CA 6 52137 1 600 . 1 . 1 130 130 ALA CB C 13 19.108 0.060 . 1 . . . . . 130 A CB 3 52137 1 601 . 1 . 1 130 130 ALA N N 15 120.791 0.041 . 1 . . . . . 130 A N 11 52137 1 602 . 1 . 1 131 131 LYS H H 1 7.636 0.003 . 1 . . . . . 131 K H 11 52137 1 603 . 1 . 1 131 131 LYS C C 13 179.454 0.000 . 1 . . . . . 131 K C 1 52137 1 604 . 1 . 1 131 131 LYS CA C 13 59.415 0.185 . 1 . . . . . 131 K CA 7 52137 1 605 . 1 . 1 131 131 LYS CB C 13 31.958 0.030 . 1 . . . . . 131 K CB 3 52137 1 606 . 1 . 1 131 131 LYS N N 15 117.882 0.026 . 1 . . . . . 131 K N 11 52137 1 607 . 1 . 1 132 132 CYS H H 1 8.138 0.006 . 1 . . . . . 132 C H 12 52137 1 608 . 1 . 1 132 132 CYS C C 13 178.083 0.000 . 1 . . . . . 132 C C 1 52137 1 609 . 1 . 1 132 132 CYS CA C 13 63.668 0.039 . 1 . . . . . 132 C CA 6 52137 1 610 . 1 . 1 132 132 CYS CB C 13 26.631 0.014 . 1 . . . . . 132 C CB 3 52137 1 611 . 1 . 1 132 132 CYS N N 15 117.949 0.066 . 1 . . . . . 132 C N 12 52137 1 612 . 1 . 1 133 133 PHE H H 1 8.733 0.003 . 1 . . . . . 133 F H 11 52137 1 613 . 1 . 1 133 133 PHE C C 13 177.479 0.000 . 1 . . . . . 133 F C 1 52137 1 614 . 1 . 1 133 133 PHE CA C 13 61.556 0.087 . 1 . . . . . 133 F CA 6 52137 1 615 . 1 . 1 133 133 PHE CB C 13 39.322 0.075 . 1 . . . . . 133 F CB 3 52137 1 616 . 1 . 1 133 133 PHE N N 15 123.370 0.029 . 1 . . . . . 133 F N 11 52137 1 617 . 1 . 1 134 134 GLU H H 1 8.396 0.004 . 1 . . . . . 134 E H 11 52137 1 618 . 1 . 1 134 134 GLU C C 13 177.516 0.000 . 1 . . . . . 134 E C 1 52137 1 619 . 1 . 1 134 134 GLU CA C 13 59.254 0.179 . 1 . . . . . 134 E CA 6 52137 1 620 . 1 . 1 134 134 GLU CB C 13 29.728 0.051 . 1 . . . . . 134 E CB 3 52137 1 621 . 1 . 1 134 134 GLU N N 15 117.417 0.033 . 1 . . . . . 134 E N 11 52137 1 622 . 1 . 1 135 135 LYS H H 1 7.068 0.003 . 1 . . . . . 135 K H 11 52137 1 623 . 1 . 1 135 135 LYS C C 13 175.458 0.000 . 1 . . . . . 135 K C 1 52137 1 624 . 1 . 1 135 135 LYS CA C 13 55.347 0.103 . 1 . . . . . 135 K CA 6 52137 1 625 . 1 . 1 135 135 LYS CB C 13 33.254 0.098 . 1 . . . . . 135 K CB 3 52137 1 626 . 1 . 1 135 135 LYS N N 15 114.654 0.027 . 1 . . . . . 135 K N 11 52137 1 627 . 1 . 1 136 136 ASN H H 1 7.475 0.001 . 1 . . . . . 136 N H 11 52137 1 628 . 1 . 1 136 136 ASN C C 13 173.254 0.000 . 1 . . . . . 136 N C 1 52137 1 629 . 1 . 1 136 136 ASN CA C 13 54.067 0.057 . 1 . . . . . 136 N CA 6 52137 1 630 . 1 . 1 136 136 ASN CB C 13 37.892 0.017 . 1 . . . . . 136 N CB 3 52137 1 631 . 1 . 1 136 136 ASN N N 15 121.434 0.015 . 1 . . . . . 136 N N 11 52137 1 632 . 1 . 1 137 137 GLU H H 1 8.199 0.002 . 1 . . . . . 137 E H 11 52137 1 633 . 1 . 1 137 137 GLU C C 13 178.177 0.000 . 1 . . . . . 137 E C 1 52137 1 634 . 1 . 1 137 137 GLU CA C 13 59.032 0.126 . 1 . . . . . 137 E CA 6 52137 1 635 . 1 . 1 137 137 GLU CB C 13 29.831 0.053 . 1 . . . . . 137 E CB 3 52137 1 636 . 1 . 1 137 137 GLU N N 15 126.763 0.015 . 1 . . . . . 137 E N 11 52137 1 637 . 1 . 1 138 138 ALA H H 1 8.232 0.001 . 1 . . . . . 138 A H 11 52137 1 638 . 1 . 1 138 138 ALA C C 13 181.358 0.000 . 1 . . . . . 138 A C 1 52137 1 639 . 1 . 1 138 138 ALA CA C 13 55.359 0.109 . 1 . . . . . 138 A CA 6 52137 1 640 . 1 . 1 138 138 ALA CB C 13 18.655 0.053 . 1 . . . . . 138 A CB 3 52137 1 641 . 1 . 1 138 138 ALA N N 15 122.513 0.030 . 1 . . . . . 138 A N 11 52137 1 642 . 1 . 1 139 139 ILE H H 1 8.864 0.003 . 1 . . . . . 139 I H 11 52137 1 643 . 1 . 1 139 139 ILE C C 13 177.399 0.000 . 1 . . . . . 139 I C 1 52137 1 644 . 1 . 1 139 139 ILE CA C 13 65.592 0.077 . 1 . . . . . 139 I CA 6 52137 1 645 . 1 . 1 139 139 ILE CB C 13 37.479 0.124 . 1 . . . . . 139 I CB 3 52137 1 646 . 1 . 1 139 139 ILE N N 15 119.976 0.032 . 1 . . . . . 139 I N 11 52137 1 647 . 1 . 1 140 140 GLN H H 1 7.092 0.003 . 1 . . . . . 140 Q H 11 52137 1 648 . 1 . 1 140 140 GLN C C 13 177.144 0.000 . 1 . . . . . 140 Q C 1 52137 1 649 . 1 . 1 140 140 GLN CA C 13 59.638 0.058 . 1 . . . . . 140 Q CA 6 52137 1 650 . 1 . 1 140 140 GLN CB C 13 27.545 0.067 . 1 . . . . . 140 Q CB 3 52137 1 651 . 1 . 1 140 140 GLN N N 15 118.018 0.035 . 1 . . . . . 140 Q N 11 52137 1 652 . 1 . 1 141 141 ALA H H 1 8.457 0.007 . 1 . . . . . 141 A H 11 52137 1 653 . 1 . 1 141 141 ALA C C 13 180.712 0.000 . 1 . . . . . 141 A C 1 52137 1 654 . 1 . 1 141 141 ALA CA C 13 54.770 0.060 . 1 . . . . . 141 A CA 6 52137 1 655 . 1 . 1 141 141 ALA CB C 13 18.036 0.023 . 1 . . . . . 141 A CB 3 52137 1 656 . 1 . 1 141 141 ALA N N 15 119.337 0.047 . 1 . . . . . 141 A N 11 52137 1 657 . 1 . 1 142 142 ALA H H 1 7.616 0.001 . 1 . . . . . 142 A H 11 52137 1 658 . 1 . 1 142 142 ALA C C 13 178.206 0.000 . 1 . . . . . 142 A C 1 52137 1 659 . 1 . 1 142 142 ALA CA C 13 55.212 0.090 . 1 . . . . . 142 A CA 6 52137 1 660 . 1 . 1 142 142 ALA CB C 13 18.664 0.034 . 1 . . . . . 142 A CB 3 52137 1 661 . 1 . 1 142 142 ALA N N 15 121.549 0.015 . 1 . . . . . 142 A N 11 52137 1 662 . 1 . 1 143 143 HIS H H 1 7.917 0.002 . 1 . . . . . 143 H H 11 52137 1 663 . 1 . 1 143 143 HIS C C 13 177.168 0.000 . 1 . . . . . 143 H C 1 52137 1 664 . 1 . 1 143 143 HIS CA C 13 60.821 0.139 . 1 . . . . . 143 H CA 6 52137 1 665 . 1 . 1 143 143 HIS CB C 13 31.341 0.034 . 1 . . . . . 143 H CB 3 52137 1 666 . 1 . 1 143 143 HIS N N 15 116.481 0.051 . 1 . . . . . 143 H N 11 52137 1 667 . 1 . 1 144 144 ASP H H 1 8.698 0.002 . 1 . . . . . 144 D H 11 52137 1 668 . 1 . 1 144 144 ASP C C 13 178.737 0.000 . 1 . . . . . 144 D C 1 52137 1 669 . 1 . 1 144 144 ASP CA C 13 57.895 0.050 . 1 . . . . . 144 D CA 6 52137 1 670 . 1 . 1 144 144 ASP CB C 13 40.011 0.005 . 1 . . . . . 144 D CB 3 52137 1 671 . 1 . 1 144 144 ASP N N 15 118.580 0.039 . 1 . . . . . 144 D N 11 52137 1 672 . 1 . 1 145 145 ALA H H 1 8.343 0.003 . 1 . . . . . 145 A H 11 52137 1 673 . 1 . 1 145 145 ALA C C 13 180.732 0.000 . 1 . . . . . 145 A C 1 52137 1 674 . 1 . 1 145 145 ALA CA C 13 55.082 0.084 . 1 . . . . . 145 A CA 6 52137 1 675 . 1 . 1 145 145 ALA CB C 13 17.912 0.034 . 1 . . . . . 145 A CB 3 52137 1 676 . 1 . 1 145 145 ALA N N 15 122.213 0.047 . 1 . . . . . 145 A N 11 52137 1 677 . 1 . 1 146 146 VAL H H 1 7.543 0.002 . 1 . . . . . 146 V H 11 52137 1 678 . 1 . 1 146 146 VAL C C 13 178.414 0.000 . 1 . . . . . 146 V C 1 52137 1 679 . 1 . 1 146 146 VAL CA C 13 66.195 0.106 . 1 . . . . . 146 V CA 6 52137 1 680 . 1 . 1 146 146 VAL CB C 13 31.581 0.015 . 1 . . . . . 146 V CB 3 52137 1 681 . 1 . 1 146 146 VAL N N 15 118.700 0.026 . 1 . . . . . 146 V N 11 52137 1 682 . 1 . 1 147 147 ALA H H 1 8.657 0.003 . 1 . . . . . 147 A H 11 52137 1 683 . 1 . 1 147 147 ALA C C 13 180.419 0.000 . 1 . . . . . 147 A C 1 52137 1 684 . 1 . 1 147 147 ALA CA C 13 55.173 0.108 . 1 . . . . . 147 A CA 6 52137 1 685 . 1 . 1 147 147 ALA CB C 13 18.597 0.097 . 1 . . . . . 147 A CB 3 52137 1 686 . 1 . 1 147 147 ALA N N 15 121.757 0.036 . 1 . . . . . 147 A N 11 52137 1 687 . 1 . 1 148 148 GLN H H 1 7.855 0.001 . 1 . . . . . 148 Q H 11 52137 1 688 . 1 . 1 148 148 GLN C C 13 176.959 0.000 . 1 . . . . . 148 Q C 1 52137 1 689 . 1 . 1 148 148 GLN CA C 13 57.541 0.092 . 1 . . . . . 148 Q CA 6 52137 1 690 . 1 . 1 148 148 GLN CB C 13 29.205 0.023 . 1 . . . . . 148 Q CB 3 52137 1 691 . 1 . 1 148 148 GLN N N 15 114.750 0.021 . 1 . . . . . 148 Q N 11 52137 1 692 . 1 . 1 149 149 GLU H H 1 7.792 0.001 . 1 . . . . . 149 E H 11 52137 1 693 . 1 . 1 149 149 GLU C C 13 177.324 0.000 . 1 . . . . . 149 E C 1 52137 1 694 . 1 . 1 149 149 GLU CA C 13 57.451 0.108 . 1 . . . . . 149 E CA 6 52137 1 695 . 1 . 1 149 149 GLU CB C 13 29.824 0.059 . 1 . . . . . 149 E CB 3 52137 1 696 . 1 . 1 149 149 GLU N N 15 118.666 0.013 . 1 . . . . . 149 E N 11 52137 1 697 . 1 . 1 150 150 GLY H H 1 7.662 0.002 . 1 . . . . . 150 G H 10 52137 1 698 . 1 . 1 150 150 GLY C C 13 173.084 0.000 . 1 . . . . . 150 G C 1 52137 1 699 . 1 . 1 150 150 GLY CA C 13 44.860 0.039 . 1 . . . . . 150 G CA 6 52137 1 700 . 1 . 1 150 150 GLY N N 15 106.964 0.049 . 1 . . . . . 150 G N 10 52137 1 701 . 1 . 1 151 151 GLN H H 1 8.333 0.001 . 1 . . . . . 151 Q H 9 52137 1 702 . 1 . 1 151 151 GLN C C 13 175.608 0.000 . 1 . . . . . 151 Q C 1 52137 1 703 . 1 . 1 151 151 GLN CA C 13 55.762 0.098 . 1 . . . . . 151 Q CA 6 52137 1 704 . 1 . 1 151 151 GLN CB C 13 29.537 0.033 . 1 . . . . . 151 Q CB 3 52137 1 705 . 1 . 1 151 151 GLN N N 15 118.635 0.011 . 1 . . . . . 151 Q N 9 52137 1 706 . 1 . 1 152 152 CYS H H 1 8.460 0.002 . 1 . . . . . 152 C H 11 52137 1 707 . 1 . 1 152 152 CYS C C 13 174.395 0.000 . 1 . . . . . 152 C C 1 52137 1 708 . 1 . 1 152 152 CYS CA C 13 58.812 0.096 . 1 . . . . . 152 C CA 6 52137 1 709 . 1 . 1 152 152 CYS CB C 13 27.989 0.027 . 1 . . . . . 152 C CB 4 52137 1 710 . 1 . 1 152 152 CYS N N 15 120.650 0.025 . 1 . . . . . 152 C N 11 52137 1 711 . 1 . 1 153 153 ARG H H 1 8.616 0.002 . 1 . . . . . 153 R H 13 52137 1 712 . 1 . 1 153 153 ARG C C 13 176.050 0.000 . 1 . . . . . 153 R C 1 52137 1 713 . 1 . 1 153 153 ARG CA C 13 55.813 0.053 . 1 . . . . . 153 R CA 6 52137 1 714 . 1 . 1 153 153 ARG CB C 13 30.947 0.039 . 1 . . . . . 153 R CB 4 52137 1 715 . 1 . 1 153 153 ARG N N 15 125.314 0.041 . 1 . . . . . 153 R N 13 52137 1 716 . 1 . 1 154 154 VAL H H 1 8.296 0.001 . 1 . . . . . 154 V H 11 52137 1 717 . 1 . 1 154 154 VAL C C 13 175.637 0.000 . 1 . . . . . 154 V C 1 52137 1 718 . 1 . 1 154 154 VAL CA C 13 62.310 0.086 . 1 . . . . . 154 V CA 6 52137 1 719 . 1 . 1 154 154 VAL CB C 13 32.737 0.052 . 1 . . . . . 154 V CB 3 52137 1 720 . 1 . 1 154 154 VAL N N 15 122.000 0.016 . 1 . . . . . 154 V N 11 52137 1 721 . 1 . 1 155 155 ASP H H 1 8.465 0.001 . 1 . . . . . 155 D H 11 52137 1 722 . 1 . 1 155 155 ASP C C 13 175.955 0.000 . 1 . . . . . 155 D C 1 52137 1 723 . 1 . 1 155 155 ASP CA C 13 54.131 0.050 . 1 . . . . . 155 D CA 6 52137 1 724 . 1 . 1 155 155 ASP CB C 13 41.659 0.001 . 1 . . . . . 155 D CB 3 52137 1 725 . 1 . 1 155 155 ASP N N 15 124.649 0.037 . 1 . . . . . 155 D N 11 52137 1 726 . 1 . 1 156 156 ASP H H 1 8.324 0.001 . 1 . . . . . 156 D H 11 52137 1 727 . 1 . 1 156 156 ASP C C 13 176.717 0.000 . 1 . . . . . 156 D C 1 52137 1 728 . 1 . 1 156 156 ASP CA C 13 54.683 0.106 . 1 . . . . . 156 D CA 6 52137 1 729 . 1 . 1 156 156 ASP CB C 13 41.101 0.084 . 1 . . . . . 156 D CB 3 52137 1 730 . 1 . 1 156 156 ASP N N 15 121.707 0.004 . 1 . . . . . 156 D N 11 52137 1 731 . 1 . 1 157 157 LYS H H 1 8.439 0.006 . 1 . . . . . 157 K H 11 52137 1 732 . 1 . 1 157 157 LYS C C 13 176.603 0.000 . 1 . . . . . 157 K C 1 52137 1 733 . 1 . 1 157 157 LYS CA C 13 56.947 0.104 . 1 . . . . . 157 K CA 6 52137 1 734 . 1 . 1 157 157 LYS CB C 13 32.521 0.005 . 1 . . . . . 157 K CB 3 52137 1 735 . 1 . 1 157 157 LYS N N 15 119.359 0.033 . 1 . . . . . 157 K N 11 52137 1 736 . 1 . 1 158 158 VAL H H 1 7.660 0.001 . 1 . . . . . 158 V H 10 52137 1 737 . 1 . 1 158 158 VAL C C 13 174.235 0.000 . 1 . . . . . 158 V C 1 52137 1 738 . 1 . 1 158 158 VAL CA C 13 61.830 0.043 . 1 . . . . . 158 V CA 5 52137 1 739 . 1 . 1 158 158 VAL CB C 13 33.245 0.063 . 1 . . . . . 158 V CB 3 52137 1 740 . 1 . 1 158 158 VAL N N 15 119.380 0.016 . 1 . . . . . 158 V N 10 52137 1 741 . 1 . 1 159 159 ASN H H 1 8.495 0.001 . 1 . . . . . 159 N H 11 52137 1 742 . 1 . 1 159 159 ASN C C 13 173.920 0.000 . 1 . . . . . 159 N C 1 52137 1 743 . 1 . 1 159 159 ASN CA C 13 52.219 0.067 . 1 . . . . . 159 N CA 7 52137 1 744 . 1 . 1 159 159 ASN CB C 13 39.477 0.075 . 1 . . . . . 159 N CB 3 52137 1 745 . 1 . 1 159 159 ASN N N 15 122.833 0.019 . 1 . . . . . 159 N N 11 52137 1 746 . 1 . 1 160 160 PHE H H 1 8.444 0.010 . 1 . . . . . 160 F H 12 52137 1 747 . 1 . 1 160 160 PHE C C 13 174.850 0.000 . 1 . . . . . 160 F C 1 52137 1 748 . 1 . 1 160 160 PHE CA C 13 57.848 0.039 . 1 . . . . . 160 F CA 6 52137 1 749 . 1 . 1 160 160 PHE CB C 13 41.043 0.139 . 1 . . . . . 160 F CB 2 52137 1 750 . 1 . 1 160 160 PHE N N 15 121.224 0.059 . 1 . . . . . 160 F N 12 52137 1 751 . 1 . 1 161 161 HIS H H 1 9.319 0.003 . 1 . . . . . 161 H H 10 52137 1 752 . 1 . 1 161 161 HIS CA C 13 53.527 0.070 . 1 . . . . . 161 H CA 2 52137 1 753 . 1 . 1 161 161 HIS CB C 13 34.576 0.000 . 1 . . . . . 161 H CB 1 52137 1 754 . 1 . 1 161 161 HIS N N 15 123.116 0.030 . 1 . . . . . 161 H N 10 52137 1 755 . 1 . 1 162 162 PHE C C 13 174.561 0.000 . 1 . . . . . 162 F C 1 52137 1 756 . 1 . 1 162 162 PHE CA C 13 54.286 0.000 . 1 . . . . . 162 F CA 4 52137 1 757 . 1 . 1 162 162 PHE CB C 13 44.737 0.000 . 1 . . . . . 162 F CB 1 52137 1 758 . 1 . 1 163 163 ILE H H 1 8.468 0.004 . 1 . . . . . 163 I H 10 52137 1 759 . 1 . 1 163 163 ILE C C 13 172.113 0.000 . 1 . . . . . 163 I C 1 52137 1 760 . 1 . 1 163 163 ILE CA C 13 59.766 0.070 . 1 . . . . . 163 I CA 6 52137 1 761 . 1 . 1 163 163 ILE CB C 13 42.837 0.101 . 1 . . . . . 163 I CB 3 52137 1 762 . 1 . 1 163 163 ILE N N 15 118.414 0.026 . 1 . . . . . 163 I N 10 52137 1 763 . 1 . 1 164 164 LEU H H 1 7.290 0.007 . 1 . . . . . 164 L H 11 52137 1 764 . 1 . 1 164 164 LEU C C 13 173.251 0.000 . 1 . . . . . 164 L C 1 52137 1 765 . 1 . 1 164 164 LEU CA C 13 53.816 0.116 . 1 . . . . . 164 L CA 6 52137 1 766 . 1 . 1 164 164 LEU CB C 13 45.864 0.118 . 1 . . . . . 164 L CB 3 52137 1 767 . 1 . 1 164 164 LEU N N 15 120.746 0.060 . 1 . . . . . 164 L N 11 52137 1 768 . 1 . 1 165 165 PHE H H 1 9.415 0.003 . 1 . . . . . 165 F H 11 52137 1 769 . 1 . 1 165 165 PHE C C 13 174.397 0.000 . 1 . . . . . 165 F C 1 52137 1 770 . 1 . 1 165 165 PHE CA C 13 57.094 0.114 . 1 . . . . . 165 F CA 6 52137 1 771 . 1 . 1 165 165 PHE CB C 13 41.552 0.050 . 1 . . . . . 165 F CB 3 52137 1 772 . 1 . 1 165 165 PHE N N 15 122.826 0.023 . 1 . . . . . 165 F N 11 52137 1 773 . 1 . 1 166 166 ASN H H 1 9.305 0.001 . 1 . . . . . 166 N H 11 52137 1 774 . 1 . 1 166 166 ASN C C 13 173.152 0.000 . 1 . . . . . 166 N C 1 52137 1 775 . 1 . 1 166 166 ASN CA C 13 52.656 0.091 . 1 . . . . . 166 N CA 6 52137 1 776 . 1 . 1 166 166 ASN CB C 13 44.373 0.064 . 1 . . . . . 166 N CB 3 52137 1 777 . 1 . 1 166 166 ASN N N 15 120.566 0.020 . 1 . . . . . 166 N N 11 52137 1 778 . 1 . 1 167 167 ASN H H 1 9.244 0.002 . 1 . . . . . 167 N H 11 52137 1 779 . 1 . 1 167 167 ASN C C 13 176.556 0.000 . 1 . . . . . 167 N C 1 52137 1 780 . 1 . 1 167 167 ASN CA C 13 53.248 0.108 . 1 . . . . . 167 N CA 6 52137 1 781 . 1 . 1 167 167 ASN CB C 13 39.703 0.006 . 1 . . . . . 167 N CB 3 52137 1 782 . 1 . 1 167 167 ASN N N 15 125.727 0.031 . 1 . . . . . 167 N N 11 52137 1 783 . 1 . 1 168 168 VAL H H 1 9.372 0.002 . 1 . . . . . 168 V H 11 52137 1 784 . 1 . 1 168 168 VAL C C 13 175.982 0.000 . 1 . . . . . 168 V C 1 52137 1 785 . 1 . 1 168 168 VAL CA C 13 62.568 0.093 . 1 . . . . . 168 V CA 6 52137 1 786 . 1 . 1 168 168 VAL CB C 13 35.152 0.045 . 1 . . . . . 168 V CB 3 52137 1 787 . 1 . 1 168 168 VAL N N 15 124.845 0.031 . 1 . . . . . 168 V N 11 52137 1 788 . 1 . 1 169 169 ASP H H 1 9.614 0.005 . 1 . . . . . 169 D H 11 52137 1 789 . 1 . 1 169 169 ASP C C 13 176.463 0.000 . 1 . . . . . 169 D C 1 52137 1 790 . 1 . 1 169 169 ASP CA C 13 54.998 0.101 . 1 . . . . . 169 D CA 6 52137 1 791 . 1 . 1 169 169 ASP CB C 13 40.517 0.077 . 1 . . . . . 169 D CB 3 52137 1 792 . 1 . 1 169 169 ASP N N 15 128.515 0.019 . 1 . . . . . 169 D N 11 52137 1 793 . 1 . 1 170 170 GLY H H 1 8.493 0.005 . 1 . . . . . 170 G H 10 52137 1 794 . 1 . 1 170 170 GLY C C 13 174.034 0.000 . 1 . . . . . 170 G C 1 52137 1 795 . 1 . 1 170 170 GLY CA C 13 46.178 0.075 . 1 . . . . . 170 G CA 6 52137 1 796 . 1 . 1 170 170 GLY N N 15 104.233 0.044 . 1 . . . . . 170 G N 10 52137 1 797 . 1 . 1 171 171 HIS H H 1 7.888 0.002 . 1 . . . . . 171 H H 9 52137 1 798 . 1 . 1 171 171 HIS C C 13 172.162 0.000 . 1 . . . . . 171 H C 1 52137 1 799 . 1 . 1 171 171 HIS CA C 13 54.901 0.119 . 1 . . . . . 171 H CA 5 52137 1 800 . 1 . 1 171 171 HIS CB C 13 32.301 0.007 . 1 . . . . . 171 H CB 3 52137 1 801 . 1 . 1 171 171 HIS N N 15 118.696 0.031 . 1 . . . . . 171 H N 9 52137 1 802 . 1 . 1 172 172 LEU H H 1 8.606 0.003 . 1 . . . . . 172 L H 10 52137 1 803 . 1 . 1 172 172 LEU C C 13 174.015 0.000 . 1 . . . . . 172 L C 1 52137 1 804 . 1 . 1 172 172 LEU CA C 13 54.385 0.127 . 1 . . . . . 172 L CA 6 52137 1 805 . 1 . 1 172 172 LEU CB C 13 42.191 0.000 . 1 . . . . . 172 L CB 3 52137 1 806 . 1 . 1 172 172 LEU N N 15 122.866 0.043 . 1 . . . . . 172 L N 10 52137 1 807 . 1 . 1 173 173 TYR H H 1 9.237 0.003 . 1 . . . . . 173 Y H 11 52137 1 808 . 1 . 1 173 173 TYR C C 13 174.459 0.000 . 1 . . . . . 173 Y C 1 52137 1 809 . 1 . 1 173 173 TYR CA C 13 57.129 0.116 . 1 . . . . . 173 Y CA 6 52137 1 810 . 1 . 1 173 173 TYR CB C 13 42.528 0.096 . 1 . . . . . 173 Y CB 3 52137 1 811 . 1 . 1 173 173 TYR N N 15 124.841 0.032 . 1 . . . . . 173 Y N 11 52137 1 812 . 1 . 1 174 174 GLU H H 1 9.215 0.007 . 1 . . . . . 174 E H 11 52137 1 813 . 1 . 1 174 174 GLU C C 13 176.445 0.000 . 1 . . . . . 174 E C 1 52137 1 814 . 1 . 1 174 174 GLU CA C 13 52.906 0.088 . 1 . . . . . 174 E CA 6 52137 1 815 . 1 . 1 174 174 GLU CB C 13 34.134 0.082 . 1 . . . . . 174 E CB 3 52137 1 816 . 1 . 1 174 174 GLU N N 15 122.355 0.030 . 1 . . . . . 174 E N 11 52137 1 817 . 1 . 1 175 175 LEU H H 1 9.908 0.007 . 1 . . . . . 175 L H 11 52137 1 818 . 1 . 1 175 175 LEU C C 13 174.691 0.000 . 1 . . . . . 175 L C 1 52137 1 819 . 1 . 1 175 175 LEU CA C 13 55.889 0.123 . 1 . . . . . 175 L CA 6 52137 1 820 . 1 . 1 175 175 LEU CB C 13 43.124 0.055 . 1 . . . . . 175 L CB 3 52137 1 821 . 1 . 1 175 175 LEU N N 15 129.001 0.020 . 1 . . . . . 175 L N 11 52137 1 822 . 1 . 1 176 176 ASP H H 1 9.335 0.002 . 1 . . . . . 176 D H 11 52137 1 823 . 1 . 1 176 176 ASP C C 13 177.365 0.000 . 1 . . . . . 176 D C 1 52137 1 824 . 1 . 1 176 176 ASP CA C 13 53.105 0.100 . 1 . . . . . 176 D CA 6 52137 1 825 . 1 . 1 176 176 ASP CB C 13 43.548 0.098 . 1 . . . . . 176 D CB 3 52137 1 826 . 1 . 1 176 176 ASP N N 15 128.452 0.034 . 1 . . . . . 176 D N 11 52137 1 827 . 1 . 1 177 177 GLY H H 1 9.465 0.003 . 1 . . . . . 177 G H 10 52137 1 828 . 1 . 1 177 177 GLY C C 13 176.356 0.000 . 1 . . . . . 177 G C 1 52137 1 829 . 1 . 1 177 177 GLY CA C 13 47.303 0.025 . 1 . . . . . 177 G CA 6 52137 1 830 . 1 . 1 177 177 GLY N N 15 112.919 0.038 . 1 . . . . . 177 G N 10 52137 1 831 . 1 . 1 178 178 ARG H H 1 9.440 0.019 . 1 . . . . . 178 R H 10 52137 1 832 . 1 . 1 178 178 ARG C C 13 178.034 0.000 . 1 . . . . . 178 R C 1 52137 1 833 . 1 . 1 178 178 ARG CA C 13 57.213 0.115 . 1 . . . . . 178 R CA 6 52137 1 834 . 1 . 1 178 178 ARG CB C 13 30.645 0.162 . 1 . . . . . 178 R CB 4 52137 1 835 . 1 . 1 178 178 ARG N N 15 119.807 0.053 . 1 . . . . . 178 R N 10 52137 1 836 . 1 . 1 179 179 MET H H 1 8.303 0.019 . 1 . . . . . 179 M H 11 52137 1 837 . 1 . 1 179 179 MET CA C 13 53.733 0.120 . 1 . . . . . 179 M CA 2 52137 1 838 . 1 . 1 179 179 MET CB C 13 33.856 0.000 . 1 . . . . . 179 M CB 1 52137 1 839 . 1 . 1 179 179 MET N N 15 120.494 0.085 . 1 . . . . . 179 M N 11 52137 1 840 . 1 . 1 180 180 PRO C C 13 175.400 0.000 . 1 . . . . . 180 P C 1 52137 1 841 . 1 . 1 180 180 PRO CA C 13 62.748 0.122 . 1 . . . . . 180 P CA 4 52137 1 842 . 1 . 1 180 180 PRO CB C 13 31.771 0.000 . 1 . . . . . 180 P CB 2 52137 1 843 . 1 . 1 181 181 PHE H H 1 6.732 0.001 . 1 . . . . . 181 F H 10 52137 1 844 . 1 . 1 181 181 PHE CA C 13 52.317 0.000 . 1 . . . . . 181 F CA 1 52137 1 845 . 1 . 1 181 181 PHE CB C 13 37.470 0.000 . 1 . . . . . 181 F CB 1 52137 1 846 . 1 . 1 181 181 PHE N N 15 113.053 0.014 . 1 . . . . . 181 F N 10 52137 1 847 . 1 . 1 182 182 PRO C C 13 173.889 0.000 . 1 . . . . . 182 P C 1 52137 1 848 . 1 . 1 182 182 PRO CA C 13 61.880 0.025 . 1 . . . . . 182 P CA 4 52137 1 849 . 1 . 1 182 182 PRO CB C 13 33.422 0.000 . 1 . . . . . 182 P CB 2 52137 1 850 . 1 . 1 183 183 VAL H H 1 8.596 0.003 . 1 . . . . . 183 V H 11 52137 1 851 . 1 . 1 183 183 VAL C C 13 174.532 0.000 . 1 . . . . . 183 V C 1 52137 1 852 . 1 . 1 183 183 VAL CA C 13 62.191 0.070 . 1 . . . . . 183 V CA 6 52137 1 853 . 1 . 1 183 183 VAL CB C 13 34.289 0.118 . 1 . . . . . 183 V CB 3 52137 1 854 . 1 . 1 183 183 VAL N N 15 119.769 0.008 . 1 . . . . . 183 V N 11 52137 1 855 . 1 . 1 184 184 ASN H H 1 8.622 0.003 . 1 . . . . . 184 N H 11 52137 1 856 . 1 . 1 184 184 ASN C C 13 175.933 0.000 . 1 . . . . . 184 N C 1 52137 1 857 . 1 . 1 184 184 ASN CA C 13 52.160 0.073 . 1 . . . . . 184 N CA 6 52137 1 858 . 1 . 1 184 184 ASN CB C 13 38.527 0.080 . 1 . . . . . 184 N CB 3 52137 1 859 . 1 . 1 184 184 ASN N N 15 125.650 0.043 . 1 . . . . . 184 N N 11 52137 1 860 . 1 . 1 185 185 HIS H H 1 9.522 0.003 . 1 . . . . . 185 H H 11 52137 1 861 . 1 . 1 185 185 HIS C C 13 175.716 0.000 . 1 . . . . . 185 H C 1 52137 1 862 . 1 . 1 185 185 HIS CA C 13 57.608 0.086 . 1 . . . . . 185 H CA 6 52137 1 863 . 1 . 1 185 185 HIS CB C 13 31.335 0.134 . 1 . . . . . 185 H CB 3 52137 1 864 . 1 . 1 185 185 HIS N N 15 126.330 0.029 . 1 . . . . . 185 H N 11 52137 1 865 . 1 . 1 186 186 GLY H H 1 8.862 0.001 . 1 . . . . . 186 G H 10 52137 1 866 . 1 . 1 186 186 GLY C C 13 172.398 0.000 . 1 . . . . . 186 G C 1 52137 1 867 . 1 . 1 186 186 GLY CA C 13 43.964 0.050 . 1 . . . . . 186 G CA 6 52137 1 868 . 1 . 1 186 186 GLY N N 15 109.952 0.034 . 1 . . . . . 186 G N 10 52137 1 869 . 1 . 1 187 187 ALA H H 1 8.223 0.001 . 1 . . . . . 187 A H 9 52137 1 870 . 1 . 1 187 187 ALA C C 13 177.846 0.000 . 1 . . . . . 187 A C 1 52137 1 871 . 1 . 1 187 187 ALA CA C 13 52.775 0.053 . 1 . . . . . 187 A CA 6 52137 1 872 . 1 . 1 187 187 ALA CB C 13 18.694 0.048 . 1 . . . . . 187 A CB 3 52137 1 873 . 1 . 1 187 187 ALA N N 15 120.597 0.018 . 1 . . . . . 187 A N 9 52137 1 874 . 1 . 1 188 188 SER H H 1 7.955 0.002 . 1 . . . . . 188 S H 11 52137 1 875 . 1 . 1 188 188 SER C C 13 173.151 0.000 . 1 . . . . . 188 S C 1 52137 1 876 . 1 . 1 188 188 SER CA C 13 57.206 0.079 . 1 . . . . . 188 S CA 6 52137 1 877 . 1 . 1 188 188 SER CB C 13 64.214 0.071 . 1 . . . . . 188 S CB 3 52137 1 878 . 1 . 1 188 188 SER N N 15 116.115 0.022 . 1 . . . . . 188 S N 11 52137 1 879 . 1 . 1 189 189 SER H H 1 8.280 0.001 . 1 . . . . . 189 S H 11 52137 1 880 . 1 . 1 189 189 SER CA C 13 57.380 0.100 . 1 . . . . . 189 S CA 2 52137 1 881 . 1 . 1 189 189 SER CB C 13 65.742 0.000 . 1 . . . . . 189 S CB 1 52137 1 882 . 1 . 1 189 189 SER N N 15 117.790 0.010 . 1 . . . . . 189 S N 11 52137 1 883 . 1 . 1 190 190 GLU H H 1 9.278 0.000 . 1 . . . . . 190 E H 0 52137 1 884 . 1 . 1 190 190 GLU C C 13 178.552 0.000 . 1 . . . . . 190 E C 1 52137 1 885 . 1 . 1 190 190 GLU CA C 13 60.471 0.083 . 1 . . . . . 190 E CA 4 52137 1 886 . 1 . 1 190 190 GLU CB C 13 29.423 0.045 . 1 . . . . . 190 E CB 2 52137 1 887 . 1 . 1 190 190 GLU N N 15 124.294 0.000 . 1 . . . . . 190 E N 0 52137 1 888 . 1 . 1 191 191 ASP H H 1 8.400 0.002 . 1 . . . . . 191 D H 11 52137 1 889 . 1 . 1 191 191 ASP C C 13 177.556 0.000 . 1 . . . . . 191 D C 1 52137 1 890 . 1 . 1 191 191 ASP CA C 13 56.024 0.047 . 1 . . . . . 191 D CA 6 52137 1 891 . 1 . 1 191 191 ASP CB C 13 40.929 0.070 . 1 . . . . . 191 D CB 3 52137 1 892 . 1 . 1 191 191 ASP N N 15 115.325 0.025 . 1 . . . . . 191 D N 11 52137 1 893 . 1 . 1 192 192 THR H H 1 7.549 0.001 . 1 . . . . . 192 T H 11 52137 1 894 . 1 . 1 192 192 THR C C 13 173.519 0.000 . 1 . . . . . 192 T C 1 52137 1 895 . 1 . 1 192 192 THR CA C 13 61.356 0.128 . 1 . . . . . 192 T CA 6 52137 1 896 . 1 . 1 192 192 THR CB C 13 68.548 0.132 . 1 . . . . . 192 T CB 3 52137 1 897 . 1 . 1 192 192 THR N N 15 108.755 0.015 . 1 . . . . . 192 T N 11 52137 1 898 . 1 . 1 193 193 LEU H H 1 7.136 0.005 . 1 . . . . . 193 L H 11 52137 1 899 . 1 . 1 193 193 LEU C C 13 177.646 0.000 . 1 . . . . . 193 L C 1 52137 1 900 . 1 . 1 193 193 LEU CA C 13 59.170 0.124 . 1 . . . . . 193 L CA 6 52137 1 901 . 1 . 1 193 193 LEU CB C 13 41.522 0.004 . 1 . . . . . 193 L CB 3 52137 1 902 . 1 . 1 193 193 LEU N N 15 124.166 0.028 . 1 . . . . . 193 L N 11 52137 1 903 . 1 . 1 194 194 LEU H H 1 8.431 0.001 . 1 . . . . . 194 L H 11 52137 1 904 . 1 . 1 194 194 LEU C C 13 178.122 0.000 . 1 . . . . . 194 L C 1 52137 1 905 . 1 . 1 194 194 LEU CA C 13 58.984 0.174 . 1 . . . . . 194 L CA 6 52137 1 906 . 1 . 1 194 194 LEU CB C 13 41.311 0.033 . 1 . . . . . 194 L CB 3 52137 1 907 . 1 . 1 194 194 LEU N N 15 115.831 0.008 . 1 . . . . . 194 L N 11 52137 1 908 . 1 . 1 195 195 LYS H H 1 7.789 0.002 . 1 . . . . . 195 K H 11 52137 1 909 . 1 . 1 195 195 LYS C C 13 179.417 0.000 . 1 . . . . . 195 K C 1 52137 1 910 . 1 . 1 195 195 LYS CA C 13 59.563 0.078 . 1 . . . . . 195 K CA 6 52137 1 911 . 1 . 1 195 195 LYS CB C 13 32.548 0.026 . 1 . . . . . 195 K CB 3 52137 1 912 . 1 . 1 195 195 LYS N N 15 117.697 0.035 . 1 . . . . . 195 K N 11 52137 1 913 . 1 . 1 196 196 ASP H H 1 8.863 0.001 . 1 . . . . . 196 D H 11 52137 1 914 . 1 . 1 196 196 ASP C C 13 178.676 0.000 . 1 . . . . . 196 D C 1 52137 1 915 . 1 . 1 196 196 ASP CA C 13 57.093 0.096 . 1 . . . . . 196 D CA 6 52137 1 916 . 1 . 1 196 196 ASP CB C 13 39.838 0.053 . 1 . . . . . 196 D CB 3 52137 1 917 . 1 . 1 196 196 ASP N N 15 121.982 0.016 . 1 . . . . . 196 D N 11 52137 1 918 . 1 . 1 197 197 ALA H H 1 9.148 0.003 . 1 . . . . . 197 A H 11 52137 1 919 . 1 . 1 197 197 ALA C C 13 179.648 0.000 . 1 . . . . . 197 A C 1 52137 1 920 . 1 . 1 197 197 ALA CA C 13 54.519 0.056 . 1 . . . . . 197 A CA 6 52137 1 921 . 1 . 1 197 197 ALA CB C 13 19.171 0.005 . 1 . . . . . 197 A CB 3 52137 1 922 . 1 . 1 197 197 ALA N N 15 122.299 0.031 . 1 . . . . . 197 A N 11 52137 1 923 . 1 . 1 198 198 ALA H H 1 8.757 0.001 . 1 . . . . . 198 A H 11 52137 1 924 . 1 . 1 198 198 ALA C C 13 178.570 0.000 . 1 . . . . . 198 A C 1 52137 1 925 . 1 . 1 198 198 ALA CA C 13 55.830 0.075 . 1 . . . . . 198 A CA 6 52137 1 926 . 1 . 1 198 198 ALA CB C 13 18.700 0.104 . 1 . . . . . 198 A CB 3 52137 1 927 . 1 . 1 198 198 ALA N N 15 121.522 0.022 . 1 . . . . . 198 A N 11 52137 1 928 . 1 . 1 199 199 LYS H H 1 7.227 0.001 . 1 . . . . . 199 K H 11 52137 1 929 . 1 . 1 199 199 LYS C C 13 178.900 0.000 . 1 . . . . . 199 K C 1 52137 1 930 . 1 . 1 199 199 LYS CA C 13 60.147 0.040 . 1 . . . . . 199 K CA 6 52137 1 931 . 1 . 1 199 199 LYS CB C 13 32.182 0.056 . 1 . . . . . 199 K CB 3 52137 1 932 . 1 . 1 199 199 LYS N N 15 116.986 0.017 . 1 . . . . . 199 K N 11 52137 1 933 . 1 . 1 200 200 VAL H H 1 6.662 0.003 . 1 . . . . . 200 V H 11 52137 1 934 . 1 . 1 200 200 VAL C C 13 179.453 0.000 . 1 . . . . . 200 V C 1 52137 1 935 . 1 . 1 200 200 VAL CA C 13 65.776 0.071 . 1 . . . . . 200 V CA 6 52137 1 936 . 1 . 1 200 200 VAL CB C 13 30.623 0.022 . 1 . . . . . 200 V CB 3 52137 1 937 . 1 . 1 200 200 VAL N N 15 118.640 0.021 . 1 . . . . . 200 V N 11 52137 1 938 . 1 . 1 201 201 CYS H H 1 7.955 0.002 . 1 . . . . . 201 C H 11 52137 1 939 . 1 . 1 201 201 CYS C C 13 177.281 0.000 . 1 . . . . . 201 C C 1 52137 1 940 . 1 . 1 201 201 CYS CA C 13 64.588 0.084 . 1 . . . . . 201 C CA 6 52137 1 941 . 1 . 1 201 201 CYS CB C 13 27.619 0.028 . 1 . . . . . 201 C CB 3 52137 1 942 . 1 . 1 201 201 CYS N N 15 117.580 0.031 . 1 . . . . . 201 C N 11 52137 1 943 . 1 . 1 202 202 ARG H H 1 8.472 0.001 . 1 . . . . . 202 R H 11 52137 1 944 . 1 . 1 202 202 ARG C C 13 179.139 0.000 . 1 . . . . . 202 R C 1 52137 1 945 . 1 . 1 202 202 ARG CA C 13 59.727 0.090 . 1 . . . . . 202 R CA 6 52137 1 946 . 1 . 1 202 202 ARG CB C 13 29.741 0.089 . 1 . . . . . 202 R CB 3 52137 1 947 . 1 . 1 202 202 ARG N N 15 118.354 0.025 . 1 . . . . . 202 R N 11 52137 1 948 . 1 . 1 203 203 GLU H H 1 7.544 0.001 . 1 . . . . . 203 E H 11 52137 1 949 . 1 . 1 203 203 GLU C C 13 176.592 0.000 . 1 . . . . . 203 E C 1 52137 1 950 . 1 . 1 203 203 GLU CA C 13 59.565 0.082 . 1 . . . . . 203 E CA 8 52137 1 951 . 1 . 1 203 203 GLU CB C 13 28.475 0.065 . 1 . . . . . 203 E CB 3 52137 1 952 . 1 . 1 203 203 GLU N N 15 119.849 0.026 . 1 . . . . . 203 E N 11 52137 1 953 . 1 . 1 204 204 PHE H H 1 7.650 0.009 . 1 . . . . . 204 F H 15 52137 1 954 . 1 . 1 204 204 PHE C C 13 179.429 0.000 . 1 . . . . . 204 F C 1 52137 1 955 . 1 . 1 204 204 PHE CA C 13 61.543 0.062 . 1 . . . . . 204 F CA 7 52137 1 956 . 1 . 1 204 204 PHE CB C 13 38.465 0.064 . 1 . . . . . 204 F CB 4 52137 1 957 . 1 . 1 204 204 PHE N N 15 117.904 0.111 . 1 . . . . . 204 F N 15 52137 1 958 . 1 . 1 205 205 THR H H 1 7.429 0.004 . 1 . . . . . 205 T H 11 52137 1 959 . 1 . 1 205 205 THR C C 13 176.835 0.000 . 1 . . . . . 205 T C 1 52137 1 960 . 1 . 1 205 205 THR CA C 13 64.436 0.094 . 1 . . . . . 205 T CA 7 52137 1 961 . 1 . 1 205 205 THR CB C 13 68.268 0.060 . 1 . . . . . 205 T CB 3 52137 1 962 . 1 . 1 205 205 THR N N 15 109.944 0.040 . 1 . . . . . 205 T N 11 52137 1 963 . 1 . 1 206 206 GLU H H 1 7.562 0.001 . 1 . . . . . 206 E H 12 52137 1 964 . 1 . 1 206 206 GLU C C 13 178.374 0.000 . 1 . . . . . 206 E C 1 52137 1 965 . 1 . 1 206 206 GLU CA C 13 57.968 0.032 . 1 . . . . . 206 E CA 6 52137 1 966 . 1 . 1 206 206 GLU CB C 13 29.638 0.034 . 1 . . . . . 206 E CB 3 52137 1 967 . 1 . 1 206 206 GLU N N 15 121.664 0.049 . 1 . . . . . 206 E N 12 52137 1 968 . 1 . 1 207 207 ARG H H 1 7.285 0.001 . 1 . . . . . 207 R H 11 52137 1 969 . 1 . 1 207 207 ARG C C 13 176.759 0.000 . 1 . . . . . 207 R C 1 52137 1 970 . 1 . 1 207 207 ARG CA C 13 58.879 0.126 . 1 . . . . . 207 R CA 6 52137 1 971 . 1 . 1 207 207 ARG CB C 13 31.385 0.099 . 1 . . . . . 207 R CB 3 52137 1 972 . 1 . 1 207 207 ARG N N 15 117.034 0.026 . 1 . . . . . 207 R N 11 52137 1 973 . 1 . 1 208 208 GLU H H 1 7.092 0.003 . 1 . . . . . 208 E H 11 52137 1 974 . 1 . 1 208 208 GLU C C 13 175.173 0.000 . 1 . . . . . 208 E C 1 52137 1 975 . 1 . 1 208 208 GLU CA C 13 54.649 0.051 . 1 . . . . . 208 E CA 6 52137 1 976 . 1 . 1 208 208 GLU CB C 13 30.802 0.031 . 1 . . . . . 208 E CB 3 52137 1 977 . 1 . 1 208 208 GLU N N 15 118.141 0.028 . 1 . . . . . 208 E N 11 52137 1 978 . 1 . 1 209 209 GLN H H 1 8.269 0.002 . 1 . . . . . 209 Q H 11 52137 1 979 . 1 . 1 209 209 GLN C C 13 176.952 0.000 . 1 . . . . . 209 Q C 1 52137 1 980 . 1 . 1 209 209 GLN CA C 13 56.626 0.065 . 1 . . . . . 209 Q CA 6 52137 1 981 . 1 . 1 209 209 GLN CB C 13 29.081 0.013 . 1 . . . . . 209 Q CB 3 52137 1 982 . 1 . 1 209 209 GLN N N 15 120.620 0.029 . 1 . . . . . 209 Q N 11 52137 1 983 . 1 . 1 210 210 GLY H H 1 8.742 0.002 . 1 . . . . . 210 G H 10 52137 1 984 . 1 . 1 210 210 GLY C C 13 173.751 0.000 . 1 . . . . . 210 G C 1 52137 1 985 . 1 . 1 210 210 GLY CA C 13 45.364 0.029 . 1 . . . . . 210 G CA 6 52137 1 986 . 1 . 1 210 210 GLY N N 15 110.196 0.011 . 1 . . . . . 210 G N 10 52137 1 987 . 1 . 1 211 211 GLU H H 1 8.258 0.002 . 1 . . . . . 211 E H 9 52137 1 988 . 1 . 1 211 211 GLU C C 13 175.979 0.000 . 1 . . . . . 211 E C 1 52137 1 989 . 1 . 1 211 211 GLU CA C 13 56.020 0.044 . 1 . . . . . 211 E CA 6 52137 1 990 . 1 . 1 211 211 GLU CB C 13 30.547 0.029 . 1 . . . . . 211 E CB 3 52137 1 991 . 1 . 1 211 211 GLU N N 15 121.319 0.034 . 1 . . . . . 211 E N 9 52137 1 992 . 1 . 1 212 212 VAL H H 1 8.037 0.001 . 1 . . . . . 212 V H 11 52137 1 993 . 1 . 1 212 212 VAL C C 13 176.394 0.000 . 1 . . . . . 212 V C 1 52137 1 994 . 1 . 1 212 212 VAL CA C 13 61.311 0.042 . 1 . . . . . 212 V CA 6 52137 1 995 . 1 . 1 212 212 VAL CB C 13 33.298 0.091 . 1 . . . . . 212 V CB 3 52137 1 996 . 1 . 1 212 212 VAL N N 15 119.140 0.020 . 1 . . . . . 212 V N 11 52137 1 997 . 1 . 1 213 213 ARG H H 1 8.623 0.002 . 1 . . . . . 213 R H 11 52137 1 998 . 1 . 1 213 213 ARG C C 13 174.158 0.000 . 1 . . . . . 213 R C 1 52137 1 999 . 1 . 1 213 213 ARG CA C 13 56.370 0.108 . 1 . . . . . 213 R CA 7 52137 1 1000 . 1 . 1 213 213 ARG CB C 13 30.198 0.037 . 1 . . . . . 213 R CB 4 52137 1 1001 . 1 . 1 213 213 ARG N N 15 126.191 0.027 . 1 . . . . . 213 R N 11 52137 1 1002 . 1 . 1 214 214 PHE H H 1 8.101 0.004 . 1 . . . . . 214 F H 14 52137 1 1003 . 1 . 1 214 214 PHE C C 13 175.954 0.000 . 1 . . . . . 214 F C 1 52137 1 1004 . 1 . 1 214 214 PHE CA C 13 56.592 0.086 . 1 . . . . . 214 F CA 6 52137 1 1005 . 1 . 1 214 214 PHE CB C 13 41.969 0.036 . 1 . . . . . 214 F CB 3 52137 1 1006 . 1 . 1 214 214 PHE N N 15 120.627 0.076 . 1 . . . . . 214 F N 14 52137 1 1007 . 1 . 1 215 215 SER H H 1 8.950 0.003 . 1 . . . . . 215 S H 10 52137 1 1008 . 1 . 1 215 215 SER C C 13 171.413 0.000 . 1 . . . . . 215 S C 1 52137 1 1009 . 1 . 1 215 215 SER CA C 13 57.851 0.097 . 1 . . . . . 215 S CA 5 52137 1 1010 . 1 . 1 215 215 SER CB C 13 65.526 0.030 . 1 . . . . . 215 S CB 3 52137 1 1011 . 1 . 1 215 215 SER N N 15 115.797 0.018 . 1 . . . . . 215 S N 10 52137 1 1012 . 1 . 1 216 216 ALA H H 1 9.059 0.002 . 1 . . . . . 216 A H 10 52137 1 1013 . 1 . 1 216 216 ALA C C 13 176.326 0.000 . 1 . . . . . 216 A C 1 52137 1 1014 . 1 . 1 216 216 ALA CA C 13 50.623 0.027 . 1 . . . . . 216 A CA 5 52137 1 1015 . 1 . 1 216 216 ALA CB C 13 21.908 0.025 . 1 . . . . . 216 A CB 3 52137 1 1016 . 1 . 1 216 216 ALA N N 15 124.355 0.025 . 1 . . . . . 216 A N 10 52137 1 1017 . 1 . 1 217 217 VAL H H 1 9.039 0.002 . 1 . . . . . 217 V H 10 52137 1 1018 . 1 . 1 217 217 VAL C C 13 173.574 0.000 . 1 . . . . . 217 V C 1 52137 1 1019 . 1 . 1 217 217 VAL CA C 13 59.398 0.078 . 1 . . . . . 217 V CA 7 52137 1 1020 . 1 . 1 217 217 VAL CB C 13 36.511 0.008 . 1 . . . . . 217 V CB 2 52137 1 1021 . 1 . 1 217 217 VAL N N 15 115.299 0.027 . 1 . . . . . 217 V N 10 52137 1 1022 . 1 . 1 218 218 ALA H H 1 9.203 0.005 . 1 . . . . . 218 A H 11 52137 1 1023 . 1 . 1 218 218 ALA C C 13 175.403 0.000 . 1 . . . . . 218 A C 1 52137 1 1024 . 1 . 1 218 218 ALA CA C 13 50.076 0.056 . 1 . . . . . 218 A CA 6 52137 1 1025 . 1 . 1 218 218 ALA CB C 13 22.532 0.085 . 1 . . . . . 218 A CB 3 52137 1 1026 . 1 . 1 218 218 ALA N N 15 124.161 0.027 . 1 . . . . . 218 A N 11 52137 1 1027 . 1 . 1 219 219 LEU H H 1 8.099 0.001 . 1 . . . . . 219 L H 11 52137 1 1028 . 1 . 1 219 219 LEU C C 13 174.713 0.000 . 1 . . . . . 219 L C 1 52137 1 1029 . 1 . 1 219 219 LEU CA C 13 54.108 0.077 . 1 . . . . . 219 L CA 5 52137 1 1030 . 1 . 1 219 219 LEU CB C 13 43.532 0.038 . 1 . . . . . 219 L CB 3 52137 1 1031 . 1 . 1 219 219 LEU N N 15 124.299 0.018 . 1 . . . . . 219 L N 11 52137 1 1032 . 1 . 1 220 220 CYS H H 1 8.946 0.002 . 1 . . . . . 220 C H 10 52137 1 1033 . 1 . 1 220 220 CYS C C 13 172.811 0.000 . 1 . . . . . 220 C C 1 52137 1 1034 . 1 . 1 220 220 CYS CA C 13 57.482 0.005 . 1 . . . . . 220 C CA 6 52137 1 1035 . 1 . 1 220 220 CYS CB C 13 32.613 0.025 . 1 . . . . . 220 C CB 3 52137 1 1036 . 1 . 1 220 220 CYS N N 15 124.085 0.039 . 1 . . . . . 220 C N 10 52137 1 1037 . 1 . 1 221 221 LYS H H 1 7.428 0.001 . 1 . . . . . 221 K H 11 52137 1 1038 . 1 . 1 221 221 LYS C C 13 175.032 0.000 . 1 . . . . . 221 K C 1 52137 1 1039 . 1 . 1 221 221 LYS CA C 13 55.721 0.054 . 1 . . . . . 221 K CA 6 52137 1 1040 . 1 . 1 221 221 LYS CB C 13 31.192 0.053 . 1 . . . . . 221 K CB 3 52137 1 1041 . 1 . 1 221 221 LYS N N 15 125.130 0.010 . 1 . . . . . 221 K N 11 52137 1 1042 . 1 . 1 222 222 ALA H H 1 7.867 0.001 . 1 . . . . . 222 A H 11 52137 1 1043 . 1 . 1 222 222 ALA C C 13 176.485 0.000 . 1 . . . . . 222 A C 1 52137 1 1044 . 1 . 1 222 222 ALA CA C 13 51.771 0.027 . 1 . . . . . 222 A CA 6 52137 1 1045 . 1 . 1 222 222 ALA CB C 13 19.771 0.008 . 1 . . . . . 222 A CB 3 52137 1 1046 . 1 . 1 222 222 ALA N N 15 128.629 0.032 . 1 . . . . . 222 A N 11 52137 1 1047 . 1 . 1 223 223 ALA H H 1 8.206 0.001 . 1 . . . . . 223 A H 11 52137 1 1048 . 1 . 1 223 223 ALA CA C 13 51.947 0.056 . 1 . . . . . 223 A CA 2 52137 1 1049 . 1 . 1 223 223 ALA CB C 13 19.386 0.000 . 1 . . . . . 223 A CB 1 52137 1 1050 . 1 . 1 223 223 ALA N N 15 123.732 0.014 . 1 . . . . . 223 A N 11 52137 1 stop_ save_