data_50563 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50563 _Entry.Title ; Mutation G132S enhances resistance of Mycobacterium tuberculosis b-lactamase against sulbactam ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-11-11 _Entry.Accession_date 2020-11-11 _Entry.Last_release_date 2020-11-11 _Entry.Original_release_date 2020-11-11 _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 '1H, 15N, 13C assignments of backbone amide and Ca nuclei of BlaC G132S' _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 Ilona 'van Alen' . . . 0000-0002-0298-7510 50563 2 Marcellus Ubbink . . . 0000-0002-2615-6914 50563 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50563 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 259 50563 '15N chemical shifts' 245 50563 '1H chemical shifts' 245 50563 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 . . 2021-08-04 2020-11-11 update BMRB 'update entry citation' 50563 1 . . 2021-07-01 2020-11-11 original author 'original release' 50563 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27067 'Wild-type data' 50563 BMRB 27888 'Wild-type data' 50563 BMRB 50564 'Mutation BlaC G269S' 50563 BMRB 50565 'Mutation BlaC A55E' 50563 BMRB 50566 'Mutation BlaC D172N' 50563 NCBI 10.1002/prot.20449 'CcpNmr Analysis' 50563 PDB 7A71 'BlaC G132S' 50563 SP P9WKD3 . 50563 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50563 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34250791 _Citation.DOI 10.1021/acs.biochem.1c00168 _Citation.Full_citation . _Citation.Title ; The G132S mutation enhances the resistance of Mycobacterium tuberculosis beta-lactamase against sulbactam ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 60 _Citation.Journal_issue 28 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 2236 _Citation.Page_last 2245 _Citation.Year 2021 _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 Ilona 'van Alen' . . . . 50563 1 2 Aleksandra Chikunova . . . . 50563 1 3 Adil Safeer . . . . 50563 1 4 Misbha 'Ud Din Ahmad' . . . . 50563 1 5 Anastassis Perrakis . . . . 50563 1 6 Marcellus Ubbink . . . . 50563 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50563 _Assembly.ID 1 _Assembly.Name 'BlaC G132S' _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 'BlaC G132S' 1 $entity_1 . . yes native no no . . . 50563 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50563 _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 ; GDLADRFAELERRYDARLGV YVPATGTTAAIEYRADERFA FCSTFKAPLVAAVLHQNPLT HLDKLITYTSDDIRSISPVA QQHVQTGMTIGQLCDAAIRY SDSTAANLLLADLGGPGGGT AAFTGYLRSLGDTVSRLDAE EPELNRDPPGDERDTTTPHA IALVLQQLVLGNALPPDKRA LLTDWMARNTTGAKRIRAGF PADWKVIDKTGTGDYGRAND IAVVWSPTGVPYVVAVMSDR AGGGYDAEPREALLAEAATC VAGVLA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Ambler standardised numbering for class A beta-lactamases' _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 266 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation G132S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 28331 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID beta-lactamase 50563 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 50563 1 2 . ASP . 50563 1 3 . LEU . 50563 1 4 . ALA . 50563 1 5 . ASP . 50563 1 6 . ARG . 50563 1 7 . PHE . 50563 1 8 . ALA . 50563 1 9 . GLU . 50563 1 10 . LEU . 50563 1 11 . GLU . 50563 1 12 . ARG . 50563 1 13 . ARG . 50563 1 14 . TYR . 50563 1 15 . ASP . 50563 1 16 . ALA . 50563 1 17 . ARG . 50563 1 18 . LEU . 50563 1 19 . GLY . 50563 1 20 . VAL . 50563 1 21 . TYR . 50563 1 22 . VAL . 50563 1 23 . PRO . 50563 1 24 . ALA . 50563 1 25 . THR . 50563 1 26 . GLY . 50563 1 27 . THR . 50563 1 28 . THR . 50563 1 29 . ALA . 50563 1 30 . ALA . 50563 1 31 . ILE . 50563 1 32 . GLU . 50563 1 33 . TYR . 50563 1 34 . ARG . 50563 1 35 . ALA . 50563 1 36 . ASP . 50563 1 37 . GLU . 50563 1 38 . ARG . 50563 1 39 . PHE . 50563 1 40 . ALA . 50563 1 41 . PHE . 50563 1 42 . CYS . 50563 1 43 . SER . 50563 1 44 . THR . 50563 1 45 . PHE . 50563 1 46 . LYS . 50563 1 47 . ALA . 50563 1 48 . PRO . 50563 1 49 . LEU . 50563 1 50 . VAL . 50563 1 51 . ALA . 50563 1 52 . ALA . 50563 1 53 . VAL . 50563 1 54 . LEU . 50563 1 55 . HIS . 50563 1 56 . GLN . 50563 1 57 . ASN . 50563 1 58 . PRO . 50563 1 59 . LEU . 50563 1 60 . THR . 50563 1 61 . HIS . 50563 1 62 . LEU . 50563 1 63 . ASP . 50563 1 64 . LYS . 50563 1 65 . LEU . 50563 1 66 . ILE . 50563 1 67 . THR . 50563 1 68 . TYR . 50563 1 69 . THR . 50563 1 70 . SER . 50563 1 71 . ASP . 50563 1 72 . ASP . 50563 1 73 . ILE . 50563 1 74 . ARG . 50563 1 75 . SER . 50563 1 76 . ILE . 50563 1 77 . SER . 50563 1 78 . PRO . 50563 1 79 . VAL . 50563 1 80 . ALA . 50563 1 81 . GLN . 50563 1 82 . GLN . 50563 1 83 . HIS . 50563 1 84 . VAL . 50563 1 85 . GLN . 50563 1 86 . THR . 50563 1 87 . GLY . 50563 1 88 . MET . 50563 1 89 . THR . 50563 1 90 . ILE . 50563 1 91 . GLY . 50563 1 92 . GLN . 50563 1 93 . LEU . 50563 1 94 . CYS . 50563 1 95 . ASP . 50563 1 96 . ALA . 50563 1 97 . ALA . 50563 1 98 . ILE . 50563 1 99 . ARG . 50563 1 100 . TYR . 50563 1 101 . SER . 50563 1 102 . ASP . 50563 1 103 . SER . 50563 1 104 . THR . 50563 1 105 . ALA . 50563 1 106 . ALA . 50563 1 107 . ASN . 50563 1 108 . LEU . 50563 1 109 . LEU . 50563 1 110 . LEU . 50563 1 111 . ALA . 50563 1 112 . ASP . 50563 1 113 . LEU . 50563 1 114 . GLY . 50563 1 115 . GLY . 50563 1 116 . PRO . 50563 1 117 . GLY . 50563 1 118 . GLY . 50563 1 119 . GLY . 50563 1 120 . THR . 50563 1 121 . ALA . 50563 1 122 . ALA . 50563 1 123 . PHE . 50563 1 124 . THR . 50563 1 125 . GLY . 50563 1 126 . TYR . 50563 1 127 . LEU . 50563 1 128 . ARG . 50563 1 129 . SER . 50563 1 130 . LEU . 50563 1 131 . GLY . 50563 1 132 . ASP . 50563 1 133 . THR . 50563 1 134 . VAL . 50563 1 135 . SER . 50563 1 136 . ARG . 50563 1 137 . LEU . 50563 1 138 . ASP . 50563 1 139 . ALA . 50563 1 140 . GLU . 50563 1 141 . GLU . 50563 1 142 . PRO . 50563 1 143 . GLU . 50563 1 144 . LEU . 50563 1 145 . ASN . 50563 1 146 . ARG . 50563 1 147 . ASP . 50563 1 148 . PRO . 50563 1 149 . PRO . 50563 1 150 . GLY . 50563 1 151 . ASP . 50563 1 152 . GLU . 50563 1 153 . ARG . 50563 1 154 . ASP . 50563 1 155 . THR . 50563 1 156 . THR . 50563 1 157 . THR . 50563 1 158 . PRO . 50563 1 159 . HIS . 50563 1 160 . ALA . 50563 1 161 . ILE . 50563 1 162 . ALA . 50563 1 163 . LEU . 50563 1 164 . VAL . 50563 1 165 . LEU . 50563 1 166 . GLN . 50563 1 167 . GLN . 50563 1 168 . LEU . 50563 1 169 . VAL . 50563 1 170 . LEU . 50563 1 171 . GLY . 50563 1 172 . ASN . 50563 1 173 . ALA . 50563 1 174 . LEU . 50563 1 175 . PRO . 50563 1 176 . PRO . 50563 1 177 . ASP . 50563 1 178 . LYS . 50563 1 179 . ARG . 50563 1 180 . ALA . 50563 1 181 . LEU . 50563 1 182 . LEU . 50563 1 183 . THR . 50563 1 184 . ASP . 50563 1 185 . TRP . 50563 1 186 . MET . 50563 1 187 . ALA . 50563 1 188 . ARG . 50563 1 189 . ASN . 50563 1 190 . THR . 50563 1 191 . THR . 50563 1 192 . GLY . 50563 1 193 . ALA . 50563 1 194 . LYS . 50563 1 195 . ARG . 50563 1 196 . ILE . 50563 1 197 . ARG . 50563 1 198 . ALA . 50563 1 199 . GLY . 50563 1 200 . PHE . 50563 1 201 . PRO . 50563 1 202 . ALA . 50563 1 203 . ASP . 50563 1 204 . TRP . 50563 1 205 . LYS . 50563 1 206 . VAL . 50563 1 207 . ILE . 50563 1 208 . ASP . 50563 1 209 . LYS . 50563 1 210 . THR . 50563 1 211 . GLY . 50563 1 212 . THR . 50563 1 213 . GLY . 50563 1 214 . ASP . 50563 1 215 . TYR . 50563 1 216 . GLY . 50563 1 217 . ARG . 50563 1 218 . ALA . 50563 1 219 . ASN . 50563 1 220 . ASP . 50563 1 221 . ILE . 50563 1 222 . ALA . 50563 1 223 . VAL . 50563 1 224 . VAL . 50563 1 225 . TRP . 50563 1 226 . SER . 50563 1 227 . PRO . 50563 1 228 . THR . 50563 1 229 . GLY . 50563 1 230 . VAL . 50563 1 231 . PRO . 50563 1 232 . TYR . 50563 1 233 . VAL . 50563 1 234 . VAL . 50563 1 235 . ALA . 50563 1 236 . VAL . 50563 1 237 . MET . 50563 1 238 . SER . 50563 1 239 . ASP . 50563 1 240 . ARG . 50563 1 241 . ALA . 50563 1 242 . GLY . 50563 1 243 . GLY . 50563 1 244 . GLY . 50563 1 245 . TYR . 50563 1 246 . ASP . 50563 1 247 . ALA . 50563 1 248 . GLU . 50563 1 249 . PRO . 50563 1 250 . ARG . 50563 1 251 . GLU . 50563 1 252 . ALA . 50563 1 253 . LEU . 50563 1 254 . LEU . 50563 1 255 . ALA . 50563 1 256 . GLU . 50563 1 257 . ALA . 50563 1 258 . ALA . 50563 1 259 . THR . 50563 1 260 . CYS . 50563 1 261 . VAL . 50563 1 262 . ALA . 50563 1 263 . GLY . 50563 1 264 . VAL . 50563 1 265 . LEU . 50563 1 266 . ALA . 50563 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50563 1 . ASP 2 2 50563 1 . LEU 3 3 50563 1 . ALA 4 4 50563 1 . ASP 5 5 50563 1 . ARG 6 6 50563 1 . PHE 7 7 50563 1 . ALA 8 8 50563 1 . GLU 9 9 50563 1 . LEU 10 10 50563 1 . GLU 11 11 50563 1 . ARG 12 12 50563 1 . ARG 13 13 50563 1 . TYR 14 14 50563 1 . ASP 15 15 50563 1 . ALA 16 16 50563 1 . ARG 17 17 50563 1 . LEU 18 18 50563 1 . GLY 19 19 50563 1 . VAL 20 20 50563 1 . TYR 21 21 50563 1 . VAL 22 22 50563 1 . PRO 23 23 50563 1 . ALA 24 24 50563 1 . THR 25 25 50563 1 . GLY 26 26 50563 1 . THR 27 27 50563 1 . THR 28 28 50563 1 . ALA 29 29 50563 1 . ALA 30 30 50563 1 . ILE 31 31 50563 1 . GLU 32 32 50563 1 . TYR 33 33 50563 1 . ARG 34 34 50563 1 . ALA 35 35 50563 1 . ASP 36 36 50563 1 . GLU 37 37 50563 1 . ARG 38 38 50563 1 . PHE 39 39 50563 1 . ALA 40 40 50563 1 . PHE 41 41 50563 1 . CYS 42 42 50563 1 . SER 43 43 50563 1 . THR 44 44 50563 1 . PHE 45 45 50563 1 . LYS 46 46 50563 1 . ALA 47 47 50563 1 . PRO 48 48 50563 1 . LEU 49 49 50563 1 . VAL 50 50 50563 1 . ALA 51 51 50563 1 . ALA 52 52 50563 1 . VAL 53 53 50563 1 . LEU 54 54 50563 1 . HIS 55 55 50563 1 . GLN 56 56 50563 1 . ASN 57 57 50563 1 . PRO 58 58 50563 1 . LEU 59 59 50563 1 . THR 60 60 50563 1 . HIS 61 61 50563 1 . LEU 62 62 50563 1 . ASP 63 63 50563 1 . LYS 64 64 50563 1 . LEU 65 65 50563 1 . ILE 66 66 50563 1 . THR 67 67 50563 1 . TYR 68 68 50563 1 . THR 69 69 50563 1 . SER 70 70 50563 1 . ASP 71 71 50563 1 . ASP 72 72 50563 1 . ILE 73 73 50563 1 . ARG 74 74 50563 1 . SER 75 75 50563 1 . ILE 76 76 50563 1 . SER 77 77 50563 1 . PRO 78 78 50563 1 . VAL 79 79 50563 1 . ALA 80 80 50563 1 . GLN 81 81 50563 1 . GLN 82 82 50563 1 . HIS 83 83 50563 1 . VAL 84 84 50563 1 . GLN 85 85 50563 1 . THR 86 86 50563 1 . GLY 87 87 50563 1 . MET 88 88 50563 1 . THR 89 89 50563 1 . ILE 90 90 50563 1 . GLY 91 91 50563 1 . GLN 92 92 50563 1 . LEU 93 93 50563 1 . CYS 94 94 50563 1 . ASP 95 95 50563 1 . ALA 96 96 50563 1 . ALA 97 97 50563 1 . ILE 98 98 50563 1 . ARG 99 99 50563 1 . TYR 100 100 50563 1 . SER 101 101 50563 1 . ASP 102 102 50563 1 . SER 103 103 50563 1 . THR 104 104 50563 1 . ALA 105 105 50563 1 . ALA 106 106 50563 1 . ASN 107 107 50563 1 . LEU 108 108 50563 1 . LEU 109 109 50563 1 . LEU 110 110 50563 1 . ALA 111 111 50563 1 . ASP 112 112 50563 1 . LEU 113 113 50563 1 . GLY 114 114 50563 1 . GLY 115 115 50563 1 . PRO 116 116 50563 1 . GLY 117 117 50563 1 . GLY 118 118 50563 1 . GLY 119 119 50563 1 . THR 120 120 50563 1 . ALA 121 121 50563 1 . ALA 122 122 50563 1 . PHE 123 123 50563 1 . THR 124 124 50563 1 . GLY 125 125 50563 1 . TYR 126 126 50563 1 . LEU 127 127 50563 1 . ARG 128 128 50563 1 . SER 129 129 50563 1 . LEU 130 130 50563 1 . GLY 131 131 50563 1 . ASP 132 132 50563 1 . THR 133 133 50563 1 . VAL 134 134 50563 1 . SER 135 135 50563 1 . ARG 136 136 50563 1 . LEU 137 137 50563 1 . ASP 138 138 50563 1 . ALA 139 139 50563 1 . GLU 140 140 50563 1 . GLU 141 141 50563 1 . PRO 142 142 50563 1 . GLU 143 143 50563 1 . LEU 144 144 50563 1 . ASN 145 145 50563 1 . ARG 146 146 50563 1 . ASP 147 147 50563 1 . PRO 148 148 50563 1 . PRO 149 149 50563 1 . GLY 150 150 50563 1 . ASP 151 151 50563 1 . GLU 152 152 50563 1 . ARG 153 153 50563 1 . ASP 154 154 50563 1 . THR 155 155 50563 1 . THR 156 156 50563 1 . THR 157 157 50563 1 . PRO 158 158 50563 1 . HIS 159 159 50563 1 . ALA 160 160 50563 1 . ILE 161 161 50563 1 . ALA 162 162 50563 1 . LEU 163 163 50563 1 . VAL 164 164 50563 1 . LEU 165 165 50563 1 . GLN 166 166 50563 1 . GLN 167 167 50563 1 . LEU 168 168 50563 1 . VAL 169 169 50563 1 . LEU 170 170 50563 1 . GLY 171 171 50563 1 . ASN 172 172 50563 1 . ALA 173 173 50563 1 . LEU 174 174 50563 1 . PRO 175 175 50563 1 . PRO 176 176 50563 1 . ASP 177 177 50563 1 . LYS 178 178 50563 1 . ARG 179 179 50563 1 . ALA 180 180 50563 1 . LEU 181 181 50563 1 . LEU 182 182 50563 1 . THR 183 183 50563 1 . ASP 184 184 50563 1 . TRP 185 185 50563 1 . MET 186 186 50563 1 . ALA 187 187 50563 1 . ARG 188 188 50563 1 . ASN 189 189 50563 1 . THR 190 190 50563 1 . THR 191 191 50563 1 . GLY 192 192 50563 1 . ALA 193 193 50563 1 . LYS 194 194 50563 1 . ARG 195 195 50563 1 . ILE 196 196 50563 1 . ARG 197 197 50563 1 . ALA 198 198 50563 1 . GLY 199 199 50563 1 . PHE 200 200 50563 1 . PRO 201 201 50563 1 . ALA 202 202 50563 1 . ASP 203 203 50563 1 . TRP 204 204 50563 1 . LYS 205 205 50563 1 . VAL 206 206 50563 1 . ILE 207 207 50563 1 . ASP 208 208 50563 1 . LYS 209 209 50563 1 . THR 210 210 50563 1 . GLY 211 211 50563 1 . THR 212 212 50563 1 . GLY 213 213 50563 1 . ASP 214 214 50563 1 . TYR 215 215 50563 1 . GLY 216 216 50563 1 . ARG 217 217 50563 1 . ALA 218 218 50563 1 . ASN 219 219 50563 1 . ASP 220 220 50563 1 . ILE 221 221 50563 1 . ALA 222 222 50563 1 . VAL 223 223 50563 1 . VAL 224 224 50563 1 . TRP 225 225 50563 1 . SER 226 226 50563 1 . PRO 227 227 50563 1 . THR 228 228 50563 1 . GLY 229 229 50563 1 . VAL 230 230 50563 1 . PRO 231 231 50563 1 . TYR 232 232 50563 1 . VAL 233 233 50563 1 . VAL 234 234 50563 1 . ALA 235 235 50563 1 . VAL 236 236 50563 1 . MET 237 237 50563 1 . SER 238 238 50563 1 . ASP 239 239 50563 1 . ARG 240 240 50563 1 . ALA 241 241 50563 1 . GLY 242 242 50563 1 . GLY 243 243 50563 1 . GLY 244 244 50563 1 . TYR 245 245 50563 1 . ASP 246 246 50563 1 . ALA 247 247 50563 1 . GLU 248 248 50563 1 . PRO 249 249 50563 1 . ARG 250 250 50563 1 . GLU 251 251 50563 1 . ALA 252 252 50563 1 . LEU 253 253 50563 1 . LEU 254 254 50563 1 . ALA 255 255 50563 1 . GLU 256 256 50563 1 . ALA 257 257 50563 1 . ALA 258 258 50563 1 . THR 259 259 50563 1 . CYS 260 260 50563 1 . VAL 261 261 50563 1 . ALA 262 262 50563 1 . GLY 263 263 50563 1 . VAL 264 264 50563 1 . LEU 265 265 50563 1 . ALA 266 266 50563 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 50563 _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 . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . 50563 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 50563 _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 . . pET28a . . . 50563 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50563 _Sample.ID 1 _Sample.Name '15N BlaC G132S' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 'BlaC G132S' '[U-100% 15N]' . . 1 $entity_1 . . 0.15 . . mM . . . . 50563 1 2 NaPi 'naturan abundance' . . . . . . 100 . . mM . . . . 50563 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50563 _Sample.ID 2 _Sample.Name '13C 15N BlaC G132S' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 'BlaC G132S' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.15 . . mM . . . . 50563 2 2 NaPi 'naturan abundance' . . . . . . 100 . . mM . . . . 50563 2 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 50563 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details '100mM NaPi' 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 6.4 . pH 50563 1 pressure 1 . atm 50563 1 temperature 298 . K 50563 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50563 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50563 1 processing . 50563 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50563 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50563 2 'peak picking' . 50563 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 50563 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVIII HD 850 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 50563 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50563 1 2 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50563 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 50563 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'HSQC + HNCA' _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 TSP 'methyl carbons' . . . . ppm 89.0695 external indirect 1 . . . . . 50563 1 H 1 TSP 'methyl protons' . . . . ppm 4.7550 external indirect 1 . . . . . 50563 1 N 15 TSP 'methyl carbons' . . . . ppm 114.1740 external indirect . . . . . . 50563 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 50563 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name G132S _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 0.001 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _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' . . . 50563 1 2 '3D HNCA' . . . 50563 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 . . 50563 1 2 $software_2 . . 50563 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 3 3 LEU H H 1 8.304 0.002 . 1 . . . . . 3 LEU H . 50563 1 2 . 1 . 1 3 3 LEU CA C 13 57.438 0.004 . 1 . . . . . 3 LEU CA . 50563 1 3 . 1 . 1 3 3 LEU N N 15 121.913 0.000 . 1 . . . . . 3 LEU N . 50563 1 4 . 1 . 1 4 4 ALA H H 1 8.100 0.003 . 1 . . . . . 4 ALA H . 50563 1 5 . 1 . 1 4 4 ALA CA C 13 55.919 0.007 . 1 . . . . . 4 ALA CA . 50563 1 6 . 1 . 1 4 4 ALA N N 15 120.609 0.030 . 1 . . . . . 4 ALA N . 50563 1 7 . 1 . 1 5 5 ASP H H 1 7.758 0.004 . 1 . . . . . 5 ASP H . 50563 1 8 . 1 . 1 5 5 ASP CA C 13 57.070 0.016 . 1 . . . . . 5 ASP CA . 50563 1 9 . 1 . 1 5 5 ASP N N 15 116.304 0.018 . 1 . . . . . 5 ASP N . 50563 1 10 . 1 . 1 6 6 ARG H H 1 7.494 0.003 . 1 . . . . . 6 ARG H . 50563 1 11 . 1 . 1 6 6 ARG CA C 13 58.291 0.000 . 1 . . . . . 6 ARG CA . 50563 1 12 . 1 . 1 6 6 ARG N N 15 120.859 0.030 . 1 . . . . . 6 ARG N . 50563 1 13 . 1 . 1 7 7 PHE H H 1 8.006 0.003 . 1 . . . . . 7 PHE H . 50563 1 14 . 1 . 1 7 7 PHE CA C 13 58.652 0.014 . 1 . . . . . 7 PHE CA . 50563 1 15 . 1 . 1 7 7 PHE N N 15 120.266 0.028 . 1 . . . . . 7 PHE N . 50563 1 16 . 1 . 1 8 8 ALA H H 1 8.185 0.003 . 1 . . . . . 8 ALA H . 50563 1 17 . 1 . 1 8 8 ALA CA C 13 55.410 0.001 . 1 . . . . . 8 ALA CA . 50563 1 18 . 1 . 1 8 8 ALA N N 15 121.981 0.020 . 1 . . . . . 8 ALA N . 50563 1 19 . 1 . 1 9 9 GLU H H 1 7.561 0.002 . 1 . . . . . 9 GLU H . 50563 1 20 . 1 . 1 9 9 GLU CA C 13 59.667 0.004 . 1 . . . . . 9 GLU CA . 50563 1 21 . 1 . 1 9 9 GLU N N 15 119.373 0.029 . 1 . . . . . 9 GLU N . 50563 1 22 . 1 . 1 10 10 LEU H H 1 7.647 0.003 . 1 . . . . . 10 LEU H . 50563 1 23 . 1 . 1 10 10 LEU CA C 13 58.190 0.005 . 1 . . . . . 10 LEU CA . 50563 1 24 . 1 . 1 10 10 LEU N N 15 119.609 0.037 . 1 . . . . . 10 LEU N . 50563 1 25 . 1 . 1 11 11 GLU H H 1 7.947 0.001 . 1 . . . . . 11 GLU H . 50563 1 26 . 1 . 1 11 11 GLU CA C 13 61.174 0.006 . 1 . . . . . 11 GLU CA . 50563 1 27 . 1 . 1 11 11 GLU N N 15 117.895 0.063 . 1 . . . . . 11 GLU N . 50563 1 28 . 1 . 1 12 12 ARG H H 1 7.613 0.002 . 1 . . . . . 12 ARG H . 50563 1 29 . 1 . 1 12 12 ARG CA C 13 59.178 0.006 . 1 . . . . . 12 ARG CA . 50563 1 30 . 1 . 1 12 12 ARG N N 15 117.524 0.041 . 1 . . . . . 12 ARG N . 50563 1 31 . 1 . 1 13 13 ARG H H 1 8.544 0.004 . 1 . . . . . 13 ARG H . 50563 1 32 . 1 . 1 13 13 ARG CA C 13 59.330 0.001 . 1 . . . . . 13 ARG CA . 50563 1 33 . 1 . 1 13 13 ARG N N 15 120.795 0.037 . 1 . . . . . 13 ARG N . 50563 1 34 . 1 . 1 14 14 TYR H H 1 8.100 0.003 . 1 . . . . . 14 TYR H . 50563 1 35 . 1 . 1 14 14 TYR CA C 13 59.271 0.000 . 1 . . . . . 14 TYR CA . 50563 1 36 . 1 . 1 14 14 TYR N N 15 112.963 0.048 . 1 . . . . . 14 TYR N . 50563 1 37 . 1 . 1 15 15 ASP H H 1 7.712 0.004 . 1 . . . . . 15 ASP H . 50563 1 38 . 1 . 1 15 15 ASP CA C 13 54.858 0.022 . 1 . . . . . 15 ASP CA . 50563 1 39 . 1 . 1 15 15 ASP N N 15 122.898 0.033 . 1 . . . . . 15 ASP N . 50563 1 40 . 1 . 1 16 16 ALA H H 1 8.497 0.004 . 1 . . . . . 16 ALA H . 50563 1 41 . 1 . 1 16 16 ALA CA C 13 50.792 0.020 . 1 . . . . . 16 ALA CA . 50563 1 42 . 1 . 1 16 16 ALA N N 15 121.480 0.097 . 1 . . . . . 16 ALA N . 50563 1 43 . 1 . 1 17 17 ARG H H 1 9.093 0.003 . 1 . . . . . 17 ARG H . 50563 1 44 . 1 . 1 17 17 ARG CA C 13 55.244 0.005 . 1 . . . . . 17 ARG CA . 50563 1 45 . 1 . 1 17 17 ARG N N 15 122.067 0.037 . 1 . . . . . 17 ARG N . 50563 1 46 . 1 . 1 18 18 LEU H H 1 10.287 0.002 . 1 . . . . . 18 LEU H . 50563 1 47 . 1 . 1 18 18 LEU CA C 13 53.252 0.007 . 1 . . . . . 18 LEU CA . 50563 1 48 . 1 . 1 18 18 LEU N N 15 131.200 0.024 . 1 . . . . . 18 LEU N . 50563 1 49 . 1 . 1 19 19 GLY H H 1 8.914 0.002 . 1 . . . . . 19 GLY H . 50563 1 50 . 1 . 1 19 19 GLY CA C 13 43.891 0.003 . 1 . . . . . 19 GLY CA . 50563 1 51 . 1 . 1 19 19 GLY N N 15 111.080 0.025 . 1 . . . . . 19 GLY N . 50563 1 52 . 1 . 1 20 20 VAL H H 1 9.471 0.003 . 1 . . . . . 20 VAL H . 50563 1 53 . 1 . 1 20 20 VAL CA C 13 60.173 0.000 . 1 . . . . . 20 VAL CA . 50563 1 54 . 1 . 1 20 20 VAL N N 15 123.061 0.019 . 1 . . . . . 20 VAL N . 50563 1 55 . 1 . 1 21 21 TYR H H 1 8.576 0.003 . 1 . . . . . 21 TYR H . 50563 1 56 . 1 . 1 21 21 TYR CA C 13 58.663 0.002 . 1 . . . . . 21 TYR CA . 50563 1 57 . 1 . 1 21 21 TYR N N 15 124.258 0.031 . 1 . . . . . 21 TYR N . 50563 1 58 . 1 . 1 22 22 VAL H H 1 7.844 0.003 . 1 . . . . . 22 VAL H . 50563 1 59 . 1 . 1 22 22 VAL CA C 13 57.625 0.000 . 1 . . . . . 22 VAL CA . 50563 1 60 . 1 . 1 22 22 VAL N N 15 128.153 0.034 . 1 . . . . . 22 VAL N . 50563 1 61 . 1 . 1 23 23 PRO CA C 13 62.044 0.000 . 1 . . . . . 23 PRO CA . 50563 1 62 . 1 . 1 24 24 ALA H H 1 8.374 0.002 . 1 . . . . . 24 ALA H . 50563 1 63 . 1 . 1 24 24 ALA CA C 13 52.684 0.000 . 1 . . . . . 24 ALA CA . 50563 1 64 . 1 . 1 24 24 ALA N N 15 123.287 0.026 . 1 . . . . . 24 ALA N . 50563 1 65 . 1 . 1 25 25 THR H H 1 8.449 0.002 . 1 . . . . . 25 THR H . 50563 1 66 . 1 . 1 25 25 THR CA C 13 60.642 0.013 . 1 . . . . . 25 THR CA . 50563 1 67 . 1 . 1 25 25 THR N N 15 113.557 0.021 . 1 . . . . . 25 THR N . 50563 1 68 . 1 . 1 26 26 GLY H H 1 8.610 0.002 . 1 . . . . . 26 GLY H . 50563 1 69 . 1 . 1 26 26 GLY CA C 13 46.809 0.007 . 1 . . . . . 26 GLY CA . 50563 1 70 . 1 . 1 26 26 GLY N N 15 108.002 0.038 . 1 . . . . . 26 GLY N . 50563 1 71 . 1 . 1 27 27 THR H H 1 7.843 0.003 . 1 . . . . . 27 THR H . 50563 1 72 . 1 . 1 27 27 THR CA C 13 61.355 0.022 . 1 . . . . . 27 THR CA . 50563 1 73 . 1 . 1 27 27 THR N N 15 108.132 0.036 . 1 . . . . . 27 THR N . 50563 1 74 . 1 . 1 28 28 THR H H 1 7.396 0.003 . 1 . . . . . 28 THR H . 50563 1 75 . 1 . 1 28 28 THR CA C 13 60.430 0.002 . 1 . . . . . 28 THR CA . 50563 1 76 . 1 . 1 28 28 THR N N 15 114.644 0.024 . 1 . . . . . 28 THR N . 50563 1 77 . 1 . 1 29 29 ALA H H 1 8.134 0.003 . 1 . . . . . 29 ALA H . 50563 1 78 . 1 . 1 29 29 ALA CA C 13 51.088 0.007 . 1 . . . . . 29 ALA CA . 50563 1 79 . 1 . 1 29 29 ALA N N 15 126.060 0.033 . 1 . . . . . 29 ALA N . 50563 1 80 . 1 . 1 30 30 ALA H H 1 8.556 0.003 . 1 . . . . . 30 ALA H . 50563 1 81 . 1 . 1 30 30 ALA CA C 13 52.438 0.014 . 1 . . . . . 30 ALA CA . 50563 1 82 . 1 . 1 30 30 ALA N N 15 122.533 0.017 . 1 . . . . . 30 ALA N . 50563 1 83 . 1 . 1 31 31 ILE H H 1 8.339 0.001 . 1 . . . . . 31 ILE H . 50563 1 84 . 1 . 1 31 31 ILE CA C 13 60.948 0.002 . 1 . . . . . 31 ILE CA . 50563 1 85 . 1 . 1 31 31 ILE N N 15 123.455 0.022 . 1 . . . . . 31 ILE N . 50563 1 86 . 1 . 1 32 32 GLU H H 1 8.454 0.002 . 1 . . . . . 32 GLU H . 50563 1 87 . 1 . 1 32 32 GLU CA C 13 54.056 0.023 . 1 . . . . . 32 GLU CA . 50563 1 88 . 1 . 1 32 32 GLU N N 15 122.247 0.041 . 1 . . . . . 32 GLU N . 50563 1 89 . 1 . 1 33 33 TYR H H 1 8.708 0.003 . 1 . . . . . 33 TYR H . 50563 1 90 . 1 . 1 33 33 TYR CA C 13 60.199 0.002 . 1 . . . . . 33 TYR CA . 50563 1 91 . 1 . 1 33 33 TYR N N 15 124.240 0.026 . 1 . . . . . 33 TYR N . 50563 1 92 . 1 . 1 34 34 ARG H H 1 8.689 0.003 . 1 . . . . . 34 ARG H . 50563 1 93 . 1 . 1 34 34 ARG CA C 13 57.854 0.003 . 1 . . . . . 34 ARG CA . 50563 1 94 . 1 . 1 34 34 ARG N N 15 124.322 0.028 . 1 . . . . . 34 ARG N . 50563 1 95 . 1 . 1 35 35 ALA H H 1 7.937 0.002 . 1 . . . . . 35 ALA H . 50563 1 96 . 1 . 1 35 35 ALA CA C 13 55.040 0.040 . 1 . . . . . 35 ALA CA . 50563 1 97 . 1 . 1 35 35 ALA N N 15 114.893 0.041 . 1 . . . . . 35 ALA N . 50563 1 98 . 1 . 1 36 36 ASP H H 1 8.269 0.003 . 1 . . . . . 36 ASP H . 50563 1 99 . 1 . 1 36 36 ASP CA C 13 52.964 0.004 . 1 . . . . . 36 ASP CA . 50563 1 100 . 1 . 1 36 36 ASP N N 15 111.609 0.029 . 1 . . . . . 36 ASP N . 50563 1 101 . 1 . 1 37 37 GLU H H 1 7.214 0.004 . 1 . . . . . 37 GLU H . 50563 1 102 . 1 . 1 37 37 GLU CA C 13 56.239 0.006 . 1 . . . . . 37 GLU CA . 50563 1 103 . 1 . 1 37 37 GLU N N 15 120.361 0.037 . 1 . . . . . 37 GLU N . 50563 1 104 . 1 . 1 38 38 ARG H H 1 8.057 0.003 . 1 . . . . . 38 ARG H . 50563 1 105 . 1 . 1 38 38 ARG CA C 13 55.693 0.010 . 1 . . . . . 38 ARG CA . 50563 1 106 . 1 . 1 38 38 ARG N N 15 115.603 0.026 . 1 . . . . . 38 ARG N . 50563 1 107 . 1 . 1 39 39 PHE H H 1 9.024 0.002 . 1 . . . . . 39 PHE H . 50563 1 108 . 1 . 1 39 39 PHE CA C 13 56.659 0.001 . 1 . . . . . 39 PHE CA . 50563 1 109 . 1 . 1 39 39 PHE N N 15 121.865 0.031 . 1 . . . . . 39 PHE N . 50563 1 110 . 1 . 1 40 40 ALA H H 1 8.688 0.004 . 1 . . . . . 40 ALA H . 50563 1 111 . 1 . 1 40 40 ALA CA C 13 52.791 0.073 . 1 . . . . . 40 ALA CA . 50563 1 112 . 1 . 1 40 40 ALA N N 15 125.253 0.030 . 1 . . . . . 40 ALA N . 50563 1 113 . 1 . 1 41 41 PHE H H 1 8.282 0.004 . 1 . . . . . 41 PHE H . 50563 1 114 . 1 . 1 41 41 PHE CA C 13 62.603 0.000 . 1 . . . . . 41 PHE CA . 50563 1 115 . 1 . 1 41 41 PHE N N 15 120.517 0.028 . 1 . . . . . 41 PHE N . 50563 1 116 . 1 . 1 42 42 CYS H H 1 10.462 0.003 . 1 . . . . . 42 CYS H . 50563 1 117 . 1 . 1 42 42 CYS CA C 13 61.430 0.000 . 1 . . . . . 42 CYS CA . 50563 1 118 . 1 . 1 42 42 CYS N N 15 117.766 0.044 . 1 . . . . . 42 CYS N . 50563 1 119 . 1 . 1 43 43 SER CA C 13 61.679 0.000 . 1 . . . . . 43 SER CA . 50563 1 120 . 1 . 1 44 44 THR H H 1 7.588 0.003 . 1 . . . . . 44 THR H . 50563 1 121 . 1 . 1 44 44 THR CA C 13 65.927 0.007 . 1 . . . . . 44 THR CA . 50563 1 122 . 1 . 1 44 44 THR N N 15 112.519 0.048 . 1 . . . . . 44 THR N . 50563 1 123 . 1 . 1 45 45 PHE H H 1 6.996 0.004 . 1 . . . . . 45 PHE H . 50563 1 124 . 1 . 1 45 45 PHE CA C 13 58.692 0.009 . 1 . . . . . 45 PHE CA . 50563 1 125 . 1 . 1 45 45 PHE N N 15 115.865 0.043 . 1 . . . . . 45 PHE N . 50563 1 126 . 1 . 1 46 46 LYS H H 1 7.069 0.002 . 1 . . . . . 46 LYS H . 50563 1 127 . 1 . 1 46 46 LYS CA C 13 59.381 0.000 . 1 . . . . . 46 LYS CA . 50563 1 128 . 1 . 1 46 46 LYS N N 15 119.223 0.033 . 1 . . . . . 46 LYS N . 50563 1 129 . 1 . 1 47 47 ALA H H 1 6.651 0.000 . 1 . . . . . 47 ALA H . 50563 1 130 . 1 . 1 47 47 ALA N N 15 114.239 0.000 . 1 . . . . . 47 ALA N . 50563 1 131 . 1 . 1 49 49 LEU H H 1 8.091 0.002 . 1 . . . . . 49 LEU H . 50563 1 132 . 1 . 1 49 49 LEU CA C 13 58.401 0.000 . 1 . . . . . 49 LEU CA . 50563 1 133 . 1 . 1 49 49 LEU N N 15 120.181 0.032 . 1 . . . . . 49 LEU N . 50563 1 134 . 1 . 1 50 50 VAL H H 1 7.123 0.005 . 1 . . . . . 50 VAL H . 50563 1 135 . 1 . 1 50 50 VAL CA C 13 66.979 0.000 . 1 . . . . . 50 VAL CA . 50563 1 136 . 1 . 1 50 50 VAL N N 15 118.575 0.035 . 1 . . . . . 50 VAL N . 50563 1 137 . 1 . 1 51 51 ALA H H 1 7.357 0.003 . 1 . . . . . 51 ALA H . 50563 1 138 . 1 . 1 51 51 ALA CA C 13 55.859 0.012 . 1 . . . . . 51 ALA CA . 50563 1 139 . 1 . 1 51 51 ALA N N 15 119.736 0.047 . 1 . . . . . 51 ALA N . 50563 1 140 . 1 . 1 52 52 ALA H H 1 7.963 0.002 . 1 . . . . . 52 ALA H . 50563 1 141 . 1 . 1 52 52 ALA CA C 13 55.297 0.013 . 1 . . . . . 52 ALA CA . 50563 1 142 . 1 . 1 52 52 ALA N N 15 121.213 0.024 . 1 . . . . . 52 ALA N . 50563 1 143 . 1 . 1 53 53 VAL H H 1 7.628 0.003 . 1 . . . . . 53 VAL H . 50563 1 144 . 1 . 1 53 53 VAL CA C 13 66.448 0.006 . 1 . . . . . 53 VAL CA . 50563 1 145 . 1 . 1 53 53 VAL N N 15 118.651 0.025 . 1 . . . . . 53 VAL N . 50563 1 146 . 1 . 1 54 54 LEU H H 1 8.552 0.002 . 1 . . . . . 54 LEU H . 50563 1 147 . 1 . 1 54 54 LEU CA C 13 57.117 0.001 . 1 . . . . . 54 LEU CA . 50563 1 148 . 1 . 1 54 54 LEU N N 15 118.893 0.025 . 1 . . . . . 54 LEU N . 50563 1 149 . 1 . 1 55 55 HIS H H 1 9.140 0.003 . 1 . . . . . 55 HIS H . 50563 1 150 . 1 . 1 55 55 HIS CA C 13 59.255 0.009 . 1 . . . . . 55 HIS CA . 50563 1 151 . 1 . 1 55 55 HIS N N 15 117.584 0.071 . 1 . . . . . 55 HIS N . 50563 1 152 . 1 . 1 56 56 GLN H H 1 7.447 0.002 . 1 . . . . . 56 GLN H . 50563 1 153 . 1 . 1 56 56 GLN CA C 13 56.404 0.002 . 1 . . . . . 56 GLN CA . 50563 1 154 . 1 . 1 56 56 GLN N N 15 113.032 0.015 . 1 . . . . . 56 GLN N . 50563 1 155 . 1 . 1 57 57 ASN H H 1 6.926 0.004 . 1 . . . . . 57 ASN H . 50563 1 156 . 1 . 1 57 57 ASN CA C 13 51.179 0.000 . 1 . . . . . 57 ASN CA . 50563 1 157 . 1 . 1 57 57 ASN N N 15 115.003 0.044 . 1 . . . . . 57 ASN N . 50563 1 158 . 1 . 1 58 58 PRO CA C 13 61.682 0.000 . 1 . . . . . 58 PRO CA . 50563 1 159 . 1 . 1 59 59 LEU H H 1 9.081 0.001 . 1 . . . . . 59 LEU H . 50563 1 160 . 1 . 1 59 59 LEU CA C 13 58.083 0.011 . 1 . . . . . 59 LEU CA . 50563 1 161 . 1 . 1 59 59 LEU N N 15 122.680 0.057 . 1 . . . . . 59 LEU N . 50563 1 162 . 1 . 1 60 60 THR H H 1 7.458 0.002 . 1 . . . . . 60 THR H . 50563 1 163 . 1 . 1 60 60 THR CA C 13 63.936 0.007 . 1 . . . . . 60 THR CA . 50563 1 164 . 1 . 1 60 60 THR N N 15 109.357 0.035 . 1 . . . . . 60 THR N . 50563 1 165 . 1 . 1 61 61 HIS H H 1 7.992 0.003 . 1 . . . . . 61 HIS H . 50563 1 166 . 1 . 1 61 61 HIS CA C 13 57.785 0.019 . 1 . . . . . 61 HIS CA . 50563 1 167 . 1 . 1 61 61 HIS N N 15 122.526 0.049 . 1 . . . . . 61 HIS N . 50563 1 168 . 1 . 1 62 62 LEU H H 1 7.500 0.001 . 1 . . . . . 62 LEU H . 50563 1 169 . 1 . 1 62 62 LEU CA C 13 56.906 0.002 . 1 . . . . . 62 LEU CA . 50563 1 170 . 1 . 1 62 62 LEU N N 15 113.272 0.025 . 1 . . . . . 62 LEU N . 50563 1 171 . 1 . 1 63 63 ASP H H 1 7.024 0.003 . 1 . . . . . 63 ASP H . 50563 1 172 . 1 . 1 63 63 ASP CA C 13 54.384 0.004 . 1 . . . . . 63 ASP CA . 50563 1 173 . 1 . 1 63 63 ASP N N 15 114.855 0.025 . 1 . . . . . 63 ASP N . 50563 1 174 . 1 . 1 64 64 LYS H H 1 7.256 0.005 . 1 . . . . . 64 LYS H . 50563 1 175 . 1 . 1 64 64 LYS CA C 13 57.359 0.010 . 1 . . . . . 64 LYS CA . 50563 1 176 . 1 . 1 64 64 LYS N N 15 122.642 0.038 . 1 . . . . . 64 LYS N . 50563 1 177 . 1 . 1 65 65 LEU H H 1 8.272 0.001 . 1 . . . . . 65 LEU H . 50563 1 178 . 1 . 1 65 65 LEU CA C 13 55.438 0.005 . 1 . . . . . 65 LEU CA . 50563 1 179 . 1 . 1 65 65 LEU N N 15 128.857 0.025 . 1 . . . . . 65 LEU N . 50563 1 180 . 1 . 1 66 66 ILE H H 1 8.912 0.003 . 1 . . . . . 66 ILE H . 50563 1 181 . 1 . 1 66 66 ILE CA C 13 58.437 0.014 . 1 . . . . . 66 ILE CA . 50563 1 182 . 1 . 1 66 66 ILE N N 15 131.108 0.023 . 1 . . . . . 66 ILE N . 50563 1 183 . 1 . 1 67 67 THR H H 1 7.950 0.003 . 1 . . . . . 67 THR H . 50563 1 184 . 1 . 1 67 67 THR CA C 13 60.142 0.001 . 1 . . . . . 67 THR CA . 50563 1 185 . 1 . 1 67 67 THR N N 15 117.440 0.034 . 1 . . . . . 67 THR N . 50563 1 186 . 1 . 1 68 68 TYR H H 1 8.269 0.001 . 1 . . . . . 68 TYR H . 50563 1 187 . 1 . 1 68 68 TYR CA C 13 55.944 0.009 . 1 . . . . . 68 TYR CA . 50563 1 188 . 1 . 1 68 68 TYR N N 15 120.038 0.017 . 1 . . . . . 68 TYR N . 50563 1 189 . 1 . 1 69 69 THR H H 1 9.244 0.003 . 1 . . . . . 69 THR H . 50563 1 190 . 1 . 1 69 69 THR CA C 13 59.919 0.003 . 1 . . . . . 69 THR CA . 50563 1 191 . 1 . 1 69 69 THR N N 15 109.007 0.045 . 1 . . . . . 69 THR N . 50563 1 192 . 1 . 1 70 70 SER H H 1 8.942 0.002 . 1 . . . . . 70 SER H . 50563 1 193 . 1 . 1 70 70 SER CA C 13 61.919 0.003 . 1 . . . . . 70 SER CA . 50563 1 194 . 1 . 1 70 70 SER N N 15 115.481 0.015 . 1 . . . . . 70 SER N . 50563 1 195 . 1 . 1 71 71 ASP H H 1 7.765 0.002 . 1 . . . . . 71 ASP H . 50563 1 196 . 1 . 1 71 71 ASP CA C 13 56.185 0.016 . 1 . . . . . 71 ASP CA . 50563 1 197 . 1 . 1 71 71 ASP N N 15 120.101 0.027 . 1 . . . . . 71 ASP N . 50563 1 198 . 1 . 1 72 72 ASP H H 1 7.665 0.003 . 1 . . . . . 72 ASP H . 50563 1 199 . 1 . 1 72 72 ASP CA C 13 55.664 0.006 . 1 . . . . . 72 ASP CA . 50563 1 200 . 1 . 1 72 72 ASP N N 15 116.553 0.035 . 1 . . . . . 72 ASP N . 50563 1 201 . 1 . 1 73 73 ILE H H 1 7.114 0.003 . 1 . . . . . 73 ILE H . 50563 1 202 . 1 . 1 73 73 ILE CA C 13 60.512 0.016 . 1 . . . . . 73 ILE CA . 50563 1 203 . 1 . 1 73 73 ILE N N 15 119.391 0.040 . 1 . . . . . 73 ILE N . 50563 1 204 . 1 . 1 74 74 ARG H H 1 7.985 0.003 . 1 . . . . . 74 ARG H . 50563 1 205 . 1 . 1 74 74 ARG CA C 13 54.413 0.003 . 1 . . . . . 74 ARG CA . 50563 1 206 . 1 . 1 74 74 ARG N N 15 127.066 0.027 . 1 . . . . . 74 ARG N . 50563 1 207 . 1 . 1 75 75 SER H H 1 7.956 0.003 . 1 . . . . . 75 SER H . 50563 1 208 . 1 . 1 75 75 SER CA C 13 57.431 0.010 . 1 . . . . . 75 SER CA . 50563 1 209 . 1 . 1 75 75 SER N N 15 113.133 0.032 . 1 . . . . . 75 SER N . 50563 1 210 . 1 . 1 76 76 ILE H H 1 8.345 0.001 . 1 . . . . . 76 ILE H . 50563 1 211 . 1 . 1 76 76 ILE CA C 13 63.155 0.002 . 1 . . . . . 76 ILE CA . 50563 1 212 . 1 . 1 76 76 ILE N N 15 122.571 0.035 . 1 . . . . . 76 ILE N . 50563 1 213 . 1 . 1 77 77 SER H H 1 8.717 0.003 . 1 . . . . . 77 SER H . 50563 1 214 . 1 . 1 77 77 SER CA C 13 55.414 0.000 . 1 . . . . . 77 SER CA . 50563 1 215 . 1 . 1 77 77 SER N N 15 123.068 0.035 . 1 . . . . . 77 SER N . 50563 1 216 . 1 . 1 79 79 VAL H H 1 8.265 0.004 . 1 . . . . . 79 VAL H . 50563 1 217 . 1 . 1 79 79 VAL CA C 13 64.655 0.011 . 1 . . . . . 79 VAL CA . 50563 1 218 . 1 . 1 79 79 VAL N N 15 117.428 0.038 . 1 . . . . . 79 VAL N . 50563 1 219 . 1 . 1 80 80 ALA H H 1 9.849 0.003 . 1 . . . . . 80 ALA H . 50563 1 220 . 1 . 1 80 80 ALA CA C 13 54.454 0.010 . 1 . . . . . 80 ALA CA . 50563 1 221 . 1 . 1 80 80 ALA N N 15 124.811 0.036 . 1 . . . . . 80 ALA N . 50563 1 222 . 1 . 1 81 81 GLN H H 1 7.987 0.002 . 1 . . . . . 81 GLN H . 50563 1 223 . 1 . 1 81 81 GLN CA C 13 58.665 0.002 . 1 . . . . . 81 GLN CA . 50563 1 224 . 1 . 1 81 81 GLN N N 15 114.704 0.026 . 1 . . . . . 81 GLN N . 50563 1 225 . 1 . 1 82 82 GLN H H 1 7.370 0.004 . 1 . . . . . 82 GLN H . 50563 1 226 . 1 . 1 82 82 GLN CA C 13 56.450 0.009 . 1 . . . . . 82 GLN CA . 50563 1 227 . 1 . 1 82 82 GLN N N 15 115.177 0.030 . 1 . . . . . 82 GLN N . 50563 1 228 . 1 . 1 83 83 HIS H H 1 6.853 0.002 . 1 . . . . . 83 HIS H . 50563 1 229 . 1 . 1 83 83 HIS CA C 13 55.390 0.001 . 1 . . . . . 83 HIS CA . 50563 1 230 . 1 . 1 83 83 HIS N N 15 114.047 0.039 . 1 . . . . . 83 HIS N . 50563 1 231 . 1 . 1 84 84 VAL H H 1 7.075 0.001 . 1 . . . . . 84 VAL H . 50563 1 232 . 1 . 1 84 84 VAL CA C 13 65.201 0.001 . 1 . . . . . 84 VAL CA . 50563 1 233 . 1 . 1 84 84 VAL N N 15 120.429 0.064 . 1 . . . . . 84 VAL N . 50563 1 234 . 1 . 1 85 85 GLN H H 1 8.328 0.002 . 1 . . . . . 85 GLN H . 50563 1 235 . 1 . 1 85 85 GLN CA C 13 58.073 0.000 . 1 . . . . . 85 GLN CA . 50563 1 236 . 1 . 1 85 85 GLN N N 15 114.734 0.045 . 1 . . . . . 85 GLN N . 50563 1 237 . 1 . 1 86 86 THR H H 1 7.113 0.004 . 1 . . . . . 86 THR H . 50563 1 238 . 1 . 1 86 86 THR CA C 13 62.197 0.002 . 1 . . . . . 86 THR CA . 50563 1 239 . 1 . 1 86 86 THR N N 15 106.053 0.045 . 1 . . . . . 86 THR N . 50563 1 240 . 1 . 1 87 87 GLY H H 1 7.947 0.005 . 1 . . . . . 87 GLY H . 50563 1 241 . 1 . 1 87 87 GLY CA C 13 45.373 0.002 . 1 . . . . . 87 GLY CA . 50563 1 242 . 1 . 1 87 87 GLY N N 15 111.814 0.042 . 1 . . . . . 87 GLY N . 50563 1 243 . 1 . 1 88 88 MET H H 1 8.579 0.002 . 1 . . . . . 88 MET H . 50563 1 244 . 1 . 1 88 88 MET CA C 13 55.100 0.007 . 1 . . . . . 88 MET CA . 50563 1 245 . 1 . 1 88 88 MET N N 15 116.003 0.022 . 1 . . . . . 88 MET N . 50563 1 246 . 1 . 1 89 89 THR H H 1 8.638 0.004 . 1 . . . . . 89 THR H . 50563 1 247 . 1 . 1 89 89 THR CA C 13 60.177 0.000 . 1 . . . . . 89 THR CA . 50563 1 248 . 1 . 1 89 89 THR N N 15 113.056 0.030 . 1 . . . . . 89 THR N . 50563 1 249 . 1 . 1 90 90 ILE H H 1 8.156 0.002 . 1 . . . . . 90 ILE H . 50563 1 250 . 1 . 1 90 90 ILE CA C 13 62.867 0.017 . 1 . . . . . 90 ILE CA . 50563 1 251 . 1 . 1 90 90 ILE N N 15 121.006 0.043 . 1 . . . . . 90 ILE N . 50563 1 252 . 1 . 1 91 91 GLY H H 1 9.923 0.001 . 1 . . . . . 91 GLY H . 50563 1 253 . 1 . 1 91 91 GLY CA C 13 48.176 0.001 . 1 . . . . . 91 GLY CA . 50563 1 254 . 1 . 1 91 91 GLY N N 15 109.163 0.035 . 1 . . . . . 91 GLY N . 50563 1 255 . 1 . 1 92 92 GLN H H 1 7.788 0.003 . 1 . . . . . 92 GLN H . 50563 1 256 . 1 . 1 92 92 GLN CA C 13 58.633 0.020 . 1 . . . . . 92 GLN CA . 50563 1 257 . 1 . 1 92 92 GLN N N 15 121.388 0.045 . 1 . . . . . 92 GLN N . 50563 1 258 . 1 . 1 93 93 LEU H H 1 8.852 0.003 . 1 . . . . . 93 LEU H . 50563 1 259 . 1 . 1 93 93 LEU CA C 13 58.053 0.027 . 1 . . . . . 93 LEU CA . 50563 1 260 . 1 . 1 93 93 LEU N N 15 122.928 0.027 . 1 . . . . . 93 LEU N . 50563 1 261 . 1 . 1 94 94 CYS H H 1 8.161 0.003 . 1 . . . . . 94 CYS H . 50563 1 262 . 1 . 1 94 94 CYS CA C 13 63.682 0.004 . 1 . . . . . 94 CYS CA . 50563 1 263 . 1 . 1 94 94 CYS N N 15 119.448 0.019 . 1 . . . . . 94 CYS N . 50563 1 264 . 1 . 1 95 95 ASP H H 1 6.747 0.004 . 1 . . . . . 95 ASP H . 50563 1 265 . 1 . 1 95 95 ASP CA C 13 56.456 0.003 . 1 . . . . . 95 ASP CA . 50563 1 266 . 1 . 1 95 95 ASP N N 15 117.845 0.037 . 1 . . . . . 95 ASP N . 50563 1 267 . 1 . 1 96 96 ALA H H 1 7.724 0.004 . 1 . . . . . 96 ALA H . 50563 1 268 . 1 . 1 96 96 ALA CA C 13 55.428 0.018 . 1 . . . . . 96 ALA CA . 50563 1 269 . 1 . 1 96 96 ALA N N 15 118.077 0.028 . 1 . . . . . 96 ALA N . 50563 1 270 . 1 . 1 97 97 ALA H H 1 8.623 0.003 . 1 . . . . . 97 ALA H . 50563 1 271 . 1 . 1 97 97 ALA CA C 13 54.884 0.004 . 1 . . . . . 97 ALA CA . 50563 1 272 . 1 . 1 97 97 ALA N N 15 120.964 0.034 . 1 . . . . . 97 ALA N . 50563 1 273 . 1 . 1 98 98 ILE H H 1 7.232 0.005 . 1 . . . . . 98 ILE H . 50563 1 274 . 1 . 1 98 98 ILE CA C 13 63.512 0.042 . 1 . . . . . 98 ILE CA . 50563 1 275 . 1 . 1 98 98 ILE N N 15 111.265 0.050 . 1 . . . . . 98 ILE N . 50563 1 276 . 1 . 1 99 99 ARG H H 1 8.988 0.001 . 1 . . . . . 99 ARG H . 50563 1 277 . 1 . 1 99 99 ARG CA C 13 60.192 0.007 . 1 . . . . . 99 ARG CA . 50563 1 278 . 1 . 1 99 99 ARG N N 15 114.294 0.020 . 1 . . . . . 99 ARG N . 50563 1 279 . 1 . 1 100 100 TYR H H 1 7.305 0.004 . 1 . . . . . 100 TYR H . 50563 1 280 . 1 . 1 100 100 TYR CA C 13 57.713 0.000 . 1 . . . . . 100 TYR CA . 50563 1 281 . 1 . 1 100 100 TYR N N 15 112.175 0.033 . 1 . . . . . 100 TYR N . 50563 1 282 . 1 . 1 101 101 SER CA C 13 57.598 0.000 . 1 . . . . . 101 SER CA . 50563 1 283 . 1 . 1 102 102 ASP H H 1 7.660 0.001 . 1 . . . . . 102 ASP H . 50563 1 284 . 1 . 1 102 102 ASP CA C 13 57.130 0.022 . 1 . . . . . 102 ASP CA . 50563 1 285 . 1 . 1 102 102 ASP N N 15 124.243 0.046 . 1 . . . . . 102 ASP N . 50563 1 286 . 1 . 1 103 103 SER H H 1 9.053 0.001 . 1 . . . . . 103 SER H . 50563 1 287 . 1 . 1 103 103 SER CA C 13 63.246 0.000 . 1 . . . . . 103 SER CA . 50563 1 288 . 1 . 1 103 103 SER N N 15 126.383 0.021 . 1 . . . . . 103 SER N . 50563 1 289 . 1 . 1 104 104 THR H H 1 7.899 0.002 . 1 . . . . . 104 THR H . 50563 1 290 . 1 . 1 104 104 THR CA C 13 67.694 0.004 . 1 . . . . . 104 THR CA . 50563 1 291 . 1 . 1 104 104 THR N N 15 122.222 0.024 . 1 . . . . . 104 THR N . 50563 1 292 . 1 . 1 105 105 ALA H H 1 9.286 0.002 . 1 . . . . . 105 ALA H . 50563 1 293 . 1 . 1 105 105 ALA CA C 13 54.940 0.002 . 1 . . . . . 105 ALA CA . 50563 1 294 . 1 . 1 105 105 ALA N N 15 123.495 0.042 . 1 . . . . . 105 ALA N . 50563 1 295 . 1 . 1 106 106 ALA H H 1 7.285 0.002 . 1 . . . . . 106 ALA H . 50563 1 296 . 1 . 1 106 106 ALA CA C 13 54.812 0.059 . 1 . . . . . 106 ALA CA . 50563 1 297 . 1 . 1 106 106 ALA N N 15 115.718 0.027 . 1 . . . . . 106 ALA N . 50563 1 298 . 1 . 1 107 107 ASN H H 1 7.793 0.003 . 1 . . . . . 107 ASN H . 50563 1 299 . 1 . 1 107 107 ASN CA C 13 55.826 0.056 . 1 . . . . . 107 ASN CA . 50563 1 300 . 1 . 1 107 107 ASN N N 15 119.555 0.036 . 1 . . . . . 107 ASN N . 50563 1 301 . 1 . 1 108 108 LEU H H 1 8.556 0.004 . 1 . . . . . 108 LEU H . 50563 1 302 . 1 . 1 108 108 LEU CA C 13 57.745 0.013 . 1 . . . . . 108 LEU CA . 50563 1 303 . 1 . 1 108 108 LEU N N 15 122.898 0.100 . 1 . . . . . 108 LEU N . 50563 1 304 . 1 . 1 109 109 LEU H H 1 8.075 0.002 . 1 . . . . . 109 LEU H . 50563 1 305 . 1 . 1 109 109 LEU CA C 13 57.486 0.046 . 1 . . . . . 109 LEU CA . 50563 1 306 . 1 . 1 109 109 LEU N N 15 122.022 0.082 . 1 . . . . . 109 LEU N . 50563 1 307 . 1 . 1 110 110 LEU H H 1 8.379 0.003 . 1 . . . . . 110 LEU H . 50563 1 308 . 1 . 1 110 110 LEU CA C 13 58.632 0.001 . 1 . . . . . 110 LEU CA . 50563 1 309 . 1 . 1 110 110 LEU N N 15 121.434 0.040 . 1 . . . . . 110 LEU N . 50563 1 310 . 1 . 1 111 111 ALA H H 1 7.395 0.003 . 1 . . . . . 111 ALA H . 50563 1 311 . 1 . 1 111 111 ALA CA C 13 54.001 0.001 . 1 . . . . . 111 ALA CA . 50563 1 312 . 1 . 1 111 111 ALA N N 15 119.321 0.016 . 1 . . . . . 111 ALA N . 50563 1 313 . 1 . 1 112 112 ASP H H 1 7.743 0.004 . 1 . . . . . 112 ASP H . 50563 1 314 . 1 . 1 112 112 ASP CA C 13 57.617 0.027 . 1 . . . . . 112 ASP CA . 50563 1 315 . 1 . 1 112 112 ASP N N 15 120.997 0.030 . 1 . . . . . 112 ASP N . 50563 1 316 . 1 . 1 113 113 LEU H H 1 7.933 0.006 . 1 . . . . . 113 LEU H . 50563 1 317 . 1 . 1 113 113 LEU CA C 13 56.998 0.006 . 1 . . . . . 113 LEU CA . 50563 1 318 . 1 . 1 113 113 LEU N N 15 117.931 0.020 . 1 . . . . . 113 LEU N . 50563 1 319 . 1 . 1 114 114 GLY H H 1 7.828 0.004 . 1 . . . . . 114 GLY H . 50563 1 320 . 1 . 1 114 114 GLY CA C 13 44.812 0.000 . 1 . . . . . 114 GLY CA . 50563 1 321 . 1 . 1 114 114 GLY N N 15 101.302 0.024 . 1 . . . . . 114 GLY N . 50563 1 322 . 1 . 1 115 115 GLY H H 1 7.848 0.001 . 1 . . . . . 115 GLY H . 50563 1 323 . 1 . 1 115 115 GLY CA C 13 44.665 0.000 . 1 . . . . . 115 GLY CA . 50563 1 324 . 1 . 1 115 115 GLY N N 15 108.944 0.033 . 1 . . . . . 115 GLY N . 50563 1 325 . 1 . 1 116 116 PRO CA C 13 64.024 0.000 . 1 . . . . . 116 PRO CA . 50563 1 326 . 1 . 1 117 117 GLY H H 1 8.864 0.003 . 1 . . . . . 117 GLY H . 50563 1 327 . 1 . 1 117 117 GLY CA C 13 45.879 0.002 . 1 . . . . . 117 GLY CA . 50563 1 328 . 1 . 1 117 117 GLY N N 15 112.968 0.036 . 1 . . . . . 117 GLY N . 50563 1 329 . 1 . 1 118 118 GLY H H 1 7.923 0.002 . 1 . . . . . 118 GLY H . 50563 1 330 . 1 . 1 118 118 GLY CA C 13 45.155 0.018 . 1 . . . . . 118 GLY CA . 50563 1 331 . 1 . 1 118 118 GLY N N 15 108.224 0.032 . 1 . . . . . 118 GLY N . 50563 1 332 . 1 . 1 119 119 GLY H H 1 8.265 0.010 . 1 . . . . . 119 GLY H . 50563 1 333 . 1 . 1 119 119 GLY CA C 13 48.704 0.005 . 1 . . . . . 119 GLY CA . 50563 1 334 . 1 . 1 119 119 GLY N N 15 110.961 0.051 . 1 . . . . . 119 GLY N . 50563 1 335 . 1 . 1 120 120 THR H H 1 8.367 0.006 . 1 . . . . . 120 THR H . 50563 1 336 . 1 . 1 120 120 THR CA C 13 66.195 0.003 . 1 . . . . . 120 THR CA . 50563 1 337 . 1 . 1 120 120 THR N N 15 113.196 0.029 . 1 . . . . . 120 THR N . 50563 1 338 . 1 . 1 121 121 ALA H H 1 7.578 0.005 . 1 . . . . . 121 ALA H . 50563 1 339 . 1 . 1 121 121 ALA CA C 13 54.929 0.018 . 1 . . . . . 121 ALA CA . 50563 1 340 . 1 . 1 121 121 ALA N N 15 126.874 0.036 . 1 . . . . . 121 ALA N . 50563 1 341 . 1 . 1 122 122 ALA H H 1 8.129 0.001 . 1 . . . . . 122 ALA H . 50563 1 342 . 1 . 1 122 122 ALA CA C 13 54.693 0.003 . 1 . . . . . 122 ALA CA . 50563 1 343 . 1 . 1 122 122 ALA N N 15 123.581 0.033 . 1 . . . . . 122 ALA N . 50563 1 344 . 1 . 1 123 123 PHE H H 1 8.860 0.004 . 1 . . . . . 123 PHE H . 50563 1 345 . 1 . 1 123 123 PHE CA C 13 61.700 0.002 . 1 . . . . . 123 PHE CA . 50563 1 346 . 1 . 1 123 123 PHE N N 15 120.853 0.032 . 1 . . . . . 123 PHE N . 50563 1 347 . 1 . 1 124 124 THR H H 1 8.214 0.003 . 1 . . . . . 124 THR H . 50563 1 348 . 1 . 1 124 124 THR CA C 13 68.502 0.003 . 1 . . . . . 124 THR CA . 50563 1 349 . 1 . 1 124 124 THR N N 15 118.269 0.042 . 1 . . . . . 124 THR N . 50563 1 350 . 1 . 1 125 125 GLY H H 1 8.319 0.002 . 1 . . . . . 125 GLY H . 50563 1 351 . 1 . 1 125 125 GLY CA C 13 46.881 0.000 . 1 . . . . . 125 GLY CA . 50563 1 352 . 1 . 1 125 125 GLY N N 15 107.332 0.036 . 1 . . . . . 125 GLY N . 50563 1 353 . 1 . 1 126 126 TYR H H 1 7.927 0.003 . 1 . . . . . 126 TYR H . 50563 1 354 . 1 . 1 126 126 TYR CA C 13 61.167 0.002 . 1 . . . . . 126 TYR CA . 50563 1 355 . 1 . 1 126 126 TYR N N 15 125.369 0.035 . 1 . . . . . 126 TYR N . 50563 1 356 . 1 . 1 127 127 LEU H H 1 7.475 0.003 . 1 . . . . . 127 LEU H . 50563 1 357 . 1 . 1 127 127 LEU CA C 13 58.642 0.005 . 1 . . . . . 127 LEU CA . 50563 1 358 . 1 . 1 127 127 LEU N N 15 119.885 0.031 . 1 . . . . . 127 LEU N . 50563 1 359 . 1 . 1 128 128 ARG H H 1 8.116 0.003 . 1 . . . . . 128 ARG H . 50563 1 360 . 1 . 1 128 128 ARG CA C 13 57.648 0.030 . 1 . . . . . 128 ARG CA . 50563 1 361 . 1 . 1 128 128 ARG N N 15 118.357 0.015 . 1 . . . . . 128 ARG N . 50563 1 362 . 1 . 1 129 129 SER H H 1 7.787 0.007 . 1 . . . . . 129 SER H . 50563 1 363 . 1 . 1 129 129 SER CA C 13 61.230 0.008 . 1 . . . . . 129 SER CA . 50563 1 364 . 1 . 1 129 129 SER N N 15 119.352 0.028 . 1 . . . . . 129 SER N . 50563 1 365 . 1 . 1 130 130 LEU H H 1 6.984 0.004 . 1 . . . . . 130 LEU H . 50563 1 366 . 1 . 1 130 130 LEU CA C 13 54.100 0.017 . 1 . . . . . 130 LEU CA . 50563 1 367 . 1 . 1 130 130 LEU N N 15 122.197 0.036 . 1 . . . . . 130 LEU N . 50563 1 368 . 1 . 1 131 131 GLY H H 1 7.668 0.003 . 1 . . . . . 131 GLY H . 50563 1 369 . 1 . 1 131 131 GLY CA C 13 44.926 0.006 . 1 . . . . . 131 GLY CA . 50563 1 370 . 1 . 1 131 131 GLY N N 15 107.036 0.037 . 1 . . . . . 131 GLY N . 50563 1 371 . 1 . 1 132 132 ASP H H 1 7.371 0.004 . 1 . . . . . 132 ASP H . 50563 1 372 . 1 . 1 132 132 ASP CA C 13 52.540 0.009 . 1 . . . . . 132 ASP CA . 50563 1 373 . 1 . 1 132 132 ASP N N 15 120.059 0.041 . 1 . . . . . 132 ASP N . 50563 1 374 . 1 . 1 133 133 THR H H 1 8.050 0.003 . 1 . . . . . 133 THR H . 50563 1 375 . 1 . 1 133 133 THR CA C 13 61.480 0.006 . 1 . . . . . 133 THR CA . 50563 1 376 . 1 . 1 133 133 THR N N 15 115.256 0.032 . 1 . . . . . 133 THR N . 50563 1 377 . 1 . 1 134 134 VAL H H 1 8.652 0.002 . 1 . . . . . 134 VAL H . 50563 1 378 . 1 . 1 134 134 VAL CA C 13 63.508 0.002 . 1 . . . . . 134 VAL CA . 50563 1 379 . 1 . 1 134 134 VAL N N 15 122.962 0.063 . 1 . . . . . 134 VAL N . 50563 1 380 . 1 . 1 135 135 SER H H 1 9.588 0.004 . 1 . . . . . 135 SER H . 50563 1 381 . 1 . 1 135 135 SER CA C 13 59.768 0.004 . 1 . . . . . 135 SER CA . 50563 1 382 . 1 . 1 135 135 SER N N 15 122.833 0.037 . 1 . . . . . 135 SER N . 50563 1 383 . 1 . 1 136 136 ARG H H 1 8.974 0.003 . 1 . . . . . 136 ARG H . 50563 1 384 . 1 . 1 136 136 ARG CA C 13 56.025 0.014 . 1 . . . . . 136 ARG CA . 50563 1 385 . 1 . 1 136 136 ARG N N 15 116.938 0.039 . 1 . . . . . 136 ARG N . 50563 1 386 . 1 . 1 137 137 LEU H H 1 7.445 0.004 . 1 . . . . . 137 LEU H . 50563 1 387 . 1 . 1 137 137 LEU CA C 13 54.050 0.048 . 1 . . . . . 137 LEU CA . 50563 1 388 . 1 . 1 137 137 LEU N N 15 121.740 0.027 . 1 . . . . . 137 LEU N . 50563 1 389 . 1 . 1 138 138 ASP H H 1 9.312 0.003 . 1 . . . . . 138 ASP H . 50563 1 390 . 1 . 1 138 138 ASP CA C 13 55.153 0.001 . 1 . . . . . 138 ASP CA . 50563 1 391 . 1 . 1 138 138 ASP N N 15 125.743 0.042 . 1 . . . . . 138 ASP N . 50563 1 392 . 1 . 1 139 139 ALA H H 1 8.406 0.004 . 1 . . . . . 139 ALA H . 50563 1 393 . 1 . 1 139 139 ALA CA C 13 50.418 0.003 . 1 . . . . . 139 ALA CA . 50563 1 394 . 1 . 1 139 139 ALA N N 15 126.614 0.030 . 1 . . . . . 139 ALA N . 50563 1 395 . 1 . 1 140 140 GLU H H 1 7.464 0.001 . 1 . . . . . 140 GLU H . 50563 1 396 . 1 . 1 140 140 GLU CA C 13 53.899 0.003 . 1 . . . . . 140 GLU CA . 50563 1 397 . 1 . 1 140 140 GLU N N 15 112.483 0.030 . 1 . . . . . 140 GLU N . 50563 1 398 . 1 . 1 141 141 GLU H H 1 8.957 0.002 . 1 . . . . . 141 GLU H . 50563 1 399 . 1 . 1 141 141 GLU CA C 13 55.500 0.000 . 1 . . . . . 141 GLU CA . 50563 1 400 . 1 . 1 141 141 GLU N N 15 117.670 0.045 . 1 . . . . . 141 GLU N . 50563 1 401 . 1 . 1 142 142 PRO CA C 13 63.704 0.000 . 1 . . . . . 142 PRO CA . 50563 1 402 . 1 . 1 143 143 GLU H H 1 8.519 0.002 . 1 . . . . . 143 GLU H . 50563 1 403 . 1 . 1 143 143 GLU CA C 13 61.985 0.003 . 1 . . . . . 143 GLU CA . 50563 1 404 . 1 . 1 143 143 GLU N N 15 127.689 0.035 . 1 . . . . . 143 GLU N . 50563 1 405 . 1 . 1 144 144 LEU H H 1 7.955 0.002 . 1 . . . . . 144 LEU H . 50563 1 406 . 1 . 1 144 144 LEU CA C 13 57.442 0.029 . 1 . . . . . 144 LEU CA . 50563 1 407 . 1 . 1 144 144 LEU N N 15 116.111 0.027 . 1 . . . . . 144 LEU N . 50563 1 408 . 1 . 1 145 145 ASN H H 1 7.773 0.002 . 1 . . . . . 145 ASN H . 50563 1 409 . 1 . 1 145 145 ASN CA C 13 54.904 0.007 . 1 . . . . . 145 ASN CA . 50563 1 410 . 1 . 1 145 145 ASN N N 15 119.468 0.025 . 1 . . . . . 145 ASN N . 50563 1 411 . 1 . 1 146 146 ARG H H 1 7.567 0.004 . 1 . . . . . 146 ARG H . 50563 1 412 . 1 . 1 146 146 ARG CA C 13 56.151 0.004 . 1 . . . . . 146 ARG CA . 50563 1 413 . 1 . 1 146 146 ARG N N 15 115.778 0.038 . 1 . . . . . 146 ARG N . 50563 1 414 . 1 . 1 147 147 ASP H H 1 9.164 0.003 . 1 . . . . . 147 ASP H . 50563 1 415 . 1 . 1 147 147 ASP CA C 13 53.865 0.000 . 1 . . . . . 147 ASP CA . 50563 1 416 . 1 . 1 147 147 ASP N N 15 123.008 0.023 . 1 . . . . . 147 ASP N . 50563 1 417 . 1 . 1 149 149 PRO CA C 13 63.621 0.000 . 1 . . . . . 149 PRO CA . 50563 1 418 . 1 . 1 150 150 GLY H H 1 8.454 0.002 . 1 . . . . . 150 GLY H . 50563 1 419 . 1 . 1 150 150 GLY CA C 13 45.122 0.003 . 1 . . . . . 150 GLY CA . 50563 1 420 . 1 . 1 150 150 GLY N N 15 113.245 0.029 . 1 . . . . . 150 GLY N . 50563 1 421 . 1 . 1 151 151 ASP H H 1 7.094 0.003 . 1 . . . . . 151 ASP H . 50563 1 422 . 1 . 1 151 151 ASP CA C 13 53.488 0.012 . 1 . . . . . 151 ASP CA . 50563 1 423 . 1 . 1 151 151 ASP N N 15 122.085 0.032 . 1 . . . . . 151 ASP N . 50563 1 424 . 1 . 1 152 152 GLU H H 1 8.706 0.002 . 1 . . . . . 152 GLU H . 50563 1 425 . 1 . 1 152 152 GLU CA C 13 57.414 0.001 . 1 . . . . . 152 GLU CA . 50563 1 426 . 1 . 1 152 152 GLU N N 15 125.683 0.032 . 1 . . . . . 152 GLU N . 50563 1 427 . 1 . 1 153 153 ARG H H 1 8.571 0.002 . 1 . . . . . 153 ARG H . 50563 1 428 . 1 . 1 153 153 ARG CA C 13 57.673 0.009 . 1 . . . . . 153 ARG CA . 50563 1 429 . 1 . 1 153 153 ARG N N 15 122.470 0.027 . 1 . . . . . 153 ARG N . 50563 1 430 . 1 . 1 154 154 ASP H H 1 8.563 0.005 . 1 . . . . . 154 ASP H . 50563 1 431 . 1 . 1 154 154 ASP CA C 13 56.180 0.000 . 1 . . . . . 154 ASP CA . 50563 1 432 . 1 . 1 154 154 ASP N N 15 111.181 0.055 . 1 . . . . . 154 ASP N . 50563 1 433 . 1 . 1 155 155 THR H H 1 7.374 0.002 . 1 . . . . . 155 THR H . 50563 1 434 . 1 . 1 155 155 THR CA C 13 60.203 0.007 . 1 . . . . . 155 THR CA . 50563 1 435 . 1 . 1 155 155 THR N N 15 105.918 0.041 . 1 . . . . . 155 THR N . 50563 1 436 . 1 . 1 156 156 THR H H 1 8.188 0.004 . 1 . . . . . 156 THR H . 50563 1 437 . 1 . 1 156 156 THR CA C 13 58.169 0.014 . 1 . . . . . 156 THR CA . 50563 1 438 . 1 . 1 156 156 THR N N 15 114.207 0.035 . 1 . . . . . 156 THR N . 50563 1 439 . 1 . 1 157 157 THR H H 1 8.552 0.002 . 1 . . . . . 157 THR H . 50563 1 440 . 1 . 1 157 157 THR CA C 13 57.679 0.000 . 1 . . . . . 157 THR CA . 50563 1 441 . 1 . 1 157 157 THR N N 15 111.522 0.043 . 1 . . . . . 157 THR N . 50563 1 442 . 1 . 1 158 158 PRO CA C 13 65.911 0.000 . 1 . . . . . 158 PRO CA . 50563 1 443 . 1 . 1 159 159 HIS H H 1 8.259 0.002 . 1 . . . . . 159 HIS H . 50563 1 444 . 1 . 1 159 159 HIS CA C 13 55.683 0.000 . 1 . . . . . 159 HIS CA . 50563 1 445 . 1 . 1 159 159 HIS N N 15 112.199 0.040 . 1 . . . . . 159 HIS N . 50563 1 446 . 1 . 1 160 160 ALA H H 1 8.123 0.003 . 1 . . . . . 160 ALA H . 50563 1 447 . 1 . 1 160 160 ALA CA C 13 55.118 0.010 . 1 . . . . . 160 ALA CA . 50563 1 448 . 1 . 1 160 160 ALA N N 15 120.665 0.028 . 1 . . . . . 160 ALA N . 50563 1 449 . 1 . 1 161 161 ILE H H 1 8.298 0.002 . 1 . . . . . 161 ILE H . 50563 1 450 . 1 . 1 161 161 ILE CA C 13 61.671 0.003 . 1 . . . . . 161 ILE CA . 50563 1 451 . 1 . 1 161 161 ILE N N 15 116.926 0.023 . 1 . . . . . 161 ILE N . 50563 1 452 . 1 . 1 162 162 ALA H H 1 7.780 0.003 . 1 . . . . . 162 ALA H . 50563 1 453 . 1 . 1 162 162 ALA CA C 13 55.141 0.002 . 1 . . . . . 162 ALA CA . 50563 1 454 . 1 . 1 162 162 ALA N N 15 124.779 0.027 . 1 . . . . . 162 ALA N . 50563 1 455 . 1 . 1 163 163 LEU H H 1 7.392 0.003 . 1 . . . . . 163 LEU H . 50563 1 456 . 1 . 1 163 163 LEU CA C 13 57.680 0.004 . 1 . . . . . 163 LEU CA . 50563 1 457 . 1 . 1 163 163 LEU N N 15 116.335 0.033 . 1 . . . . . 163 LEU N . 50563 1 458 . 1 . 1 164 164 VAL H H 1 7.696 0.003 . 1 . . . . . 164 VAL H . 50563 1 459 . 1 . 1 164 164 VAL CA C 13 67.457 0.003 . 1 . . . . . 164 VAL CA . 50563 1 460 . 1 . 1 164 164 VAL N N 15 121.705 0.047 . 1 . . . . . 164 VAL N . 50563 1 461 . 1 . 1 165 165 LEU H H 1 8.507 0.002 . 1 . . . . . 165 LEU H . 50563 1 462 . 1 . 1 165 165 LEU CA C 13 57.897 0.002 . 1 . . . . . 165 LEU CA . 50563 1 463 . 1 . 1 165 165 LEU N N 15 120.233 0.040 . 1 . . . . . 165 LEU N . 50563 1 464 . 1 . 1 166 166 GLN H H 1 8.698 0.003 . 1 . . . . . 166 GLN H . 50563 1 465 . 1 . 1 166 166 GLN CA C 13 60.406 0.002 . 1 . . . . . 166 GLN CA . 50563 1 466 . 1 . 1 166 166 GLN N N 15 117.295 0.044 . 1 . . . . . 166 GLN N . 50563 1 467 . 1 . 1 167 167 GLN H H 1 7.502 0.004 . 1 . . . . . 167 GLN H . 50563 1 468 . 1 . 1 167 167 GLN CA C 13 59.653 0.003 . 1 . . . . . 167 GLN CA . 50563 1 469 . 1 . 1 167 167 GLN N N 15 117.531 0.035 . 1 . . . . . 167 GLN N . 50563 1 470 . 1 . 1 168 168 LEU H H 1 7.687 0.003 . 1 . . . . . 168 LEU H . 50563 1 471 . 1 . 1 168 168 LEU CA C 13 57.730 0.010 . 1 . . . . . 168 LEU CA . 50563 1 472 . 1 . 1 168 168 LEU N N 15 114.278 0.034 . 1 . . . . . 168 LEU N . 50563 1 473 . 1 . 1 169 169 VAL H H 1 7.957 0.005 . 1 . . . . . 169 VAL H . 50563 1 474 . 1 . 1 169 169 VAL CA C 13 64.702 0.052 . 1 . . . . . 169 VAL CA . 50563 1 475 . 1 . 1 169 169 VAL N N 15 114.214 0.066 . 1 . . . . . 169 VAL N . 50563 1 476 . 1 . 1 170 170 LEU H H 1 7.626 0.004 . 1 . . . . . 170 LEU H . 50563 1 477 . 1 . 1 170 170 LEU CA C 13 54.202 0.010 . 1 . . . . . 170 LEU CA . 50563 1 478 . 1 . 1 170 170 LEU N N 15 116.358 0.028 . 1 . . . . . 170 LEU N . 50563 1 479 . 1 . 1 171 171 GLY H H 1 7.260 0.004 . 1 . . . . . 171 GLY H . 50563 1 480 . 1 . 1 171 171 GLY CA C 13 44.426 0.006 . 1 . . . . . 171 GLY CA . 50563 1 481 . 1 . 1 171 171 GLY N N 15 109.367 0.029 . 1 . . . . . 171 GLY N . 50563 1 482 . 1 . 1 172 172 ASN H H 1 8.568 0.003 . 1 . . . . . 172 ASN H . 50563 1 483 . 1 . 1 172 172 ASN CA C 13 52.168 0.002 . 1 . . . . . 172 ASN CA . 50563 1 484 . 1 . 1 172 172 ASN N N 15 118.146 0.016 . 1 . . . . . 172 ASN N . 50563 1 485 . 1 . 1 173 173 ALA H H 1 7.139 0.003 . 1 . . . . . 173 ALA H . 50563 1 486 . 1 . 1 173 173 ALA CA C 13 55.240 0.005 . 1 . . . . . 173 ALA CA . 50563 1 487 . 1 . 1 173 173 ALA N N 15 122.164 0.028 . 1 . . . . . 173 ALA N . 50563 1 488 . 1 . 1 174 174 LEU H H 1 9.256 0.001 . 1 . . . . . 174 LEU H . 50563 1 489 . 1 . 1 174 174 LEU CA C 13 50.669 0.000 . 1 . . . . . 174 LEU CA . 50563 1 490 . 1 . 1 174 174 LEU N N 15 118.188 0.022 . 1 . . . . . 174 LEU N . 50563 1 491 . 1 . 1 176 176 PRO CA C 13 66.360 0.000 . 1 . . . . . 176 PRO CA . 50563 1 492 . 1 . 1 177 177 ASP H H 1 8.639 0.003 . 1 . . . . . 177 ASP H . 50563 1 493 . 1 . 1 177 177 ASP CA C 13 56.181 0.001 . 1 . . . . . 177 ASP CA . 50563 1 494 . 1 . 1 177 177 ASP N N 15 116.532 0.020 . 1 . . . . . 177 ASP N . 50563 1 495 . 1 . 1 178 178 LYS H H 1 7.767 0.003 . 1 . . . . . 178 LYS H . 50563 1 496 . 1 . 1 178 178 LYS CA C 13 59.406 0.014 . 1 . . . . . 178 LYS CA . 50563 1 497 . 1 . 1 178 178 LYS N N 15 122.340 0.020 . 1 . . . . . 178 LYS N . 50563 1 498 . 1 . 1 179 179 ARG H H 1 8.687 0.002 . 1 . . . . . 179 ARG H . 50563 1 499 . 1 . 1 179 179 ARG CA C 13 59.455 0.000 . 1 . . . . . 179 ARG CA . 50563 1 500 . 1 . 1 179 179 ARG N N 15 120.665 0.030 . 1 . . . . . 179 ARG N . 50563 1 501 . 1 . 1 180 180 ALA H H 1 7.824 0.003 . 1 . . . . . 180 ALA H . 50563 1 502 . 1 . 1 180 180 ALA CA C 13 54.709 0.004 . 1 . . . . . 180 ALA CA . 50563 1 503 . 1 . 1 180 180 ALA N N 15 120.792 0.073 . 1 . . . . . 180 ALA N . 50563 1 504 . 1 . 1 181 181 LEU H H 1 6.733 0.004 . 1 . . . . . 181 LEU H . 50563 1 505 . 1 . 1 181 181 LEU CA C 13 56.939 0.001 . 1 . . . . . 181 LEU CA . 50563 1 506 . 1 . 1 181 181 LEU N N 15 118.406 0.030 . 1 . . . . . 181 LEU N . 50563 1 507 . 1 . 1 182 182 LEU H H 1 6.796 0.003 . 1 . . . . . 182 LEU H . 50563 1 508 . 1 . 1 182 182 LEU CA C 13 58.480 0.000 . 1 . . . . . 182 LEU CA . 50563 1 509 . 1 . 1 182 182 LEU N N 15 116.940 0.026 . 1 . . . . . 182 LEU N . 50563 1 510 . 1 . 1 183 183 THR H H 1 8.040 0.002 . 1 . . . . . 183 THR H . 50563 1 511 . 1 . 1 183 183 THR CA C 13 66.990 0.001 . 1 . . . . . 183 THR CA . 50563 1 512 . 1 . 1 183 183 THR N N 15 111.605 0.021 . 1 . . . . . 183 THR N . 50563 1 513 . 1 . 1 184 184 ASP H H 1 7.530 0.003 . 1 . . . . . 184 ASP H . 50563 1 514 . 1 . 1 184 184 ASP CA C 13 57.418 0.005 . 1 . . . . . 184 ASP CA . 50563 1 515 . 1 . 1 184 184 ASP N N 15 121.183 0.024 . 1 . . . . . 184 ASP N . 50563 1 516 . 1 . 1 185 185 TRP H H 1 7.905 0.003 . 1 . . . . . 185 TRP H . 50563 1 517 . 1 . 1 185 185 TRP CA C 13 61.647 0.000 . 1 . . . . . 185 TRP CA . 50563 1 518 . 1 . 1 185 185 TRP N N 15 117.424 0.026 . 1 . . . . . 185 TRP N . 50563 1 519 . 1 . 1 186 186 MET H H 1 7.898 0.003 . 1 . . . . . 186 MET H . 50563 1 520 . 1 . 1 186 186 MET CA C 13 59.964 0.001 . 1 . . . . . 186 MET CA . 50563 1 521 . 1 . 1 186 186 MET N N 15 114.006 0.021 . 1 . . . . . 186 MET N . 50563 1 522 . 1 . 1 187 187 ALA H H 1 8.932 0.002 . 1 . . . . . 187 ALA H . 50563 1 523 . 1 . 1 187 187 ALA CA C 13 55.051 0.003 . 1 . . . . . 187 ALA CA . 50563 1 524 . 1 . 1 187 187 ALA N N 15 124.191 0.048 . 1 . . . . . 187 ALA N . 50563 1 525 . 1 . 1 188 188 ARG H H 1 7.470 0.003 . 1 . . . . . 188 ARG H . 50563 1 526 . 1 . 1 188 188 ARG CA C 13 55.159 0.005 . 1 . . . . . 188 ARG CA . 50563 1 527 . 1 . 1 188 188 ARG N N 15 115.529 0.126 . 1 . . . . . 188 ARG N . 50563 1 528 . 1 . 1 189 189 ASN H H 1 7.248 0.003 . 1 . . . . . 189 ASN H . 50563 1 529 . 1 . 1 189 189 ASN CA C 13 55.404 0.013 . 1 . . . . . 189 ASN CA . 50563 1 530 . 1 . 1 189 189 ASN N N 15 119.381 0.007 . 1 . . . . . 189 ASN N . 50563 1 531 . 1 . 1 190 190 THR H H 1 8.567 0.004 . 1 . . . . . 190 THR H . 50563 1 532 . 1 . 1 190 190 THR CA C 13 62.689 0.008 . 1 . . . . . 190 THR CA . 50563 1 533 . 1 . 1 190 190 THR N N 15 116.946 0.040 . 1 . . . . . 190 THR N . 50563 1 534 . 1 . 1 191 191 THR H H 1 7.578 0.004 . 1 . . . . . 191 THR H . 50563 1 535 . 1 . 1 191 191 THR CA C 13 63.437 0.002 . 1 . . . . . 191 THR CA . 50563 1 536 . 1 . 1 191 191 THR N N 15 111.207 0.038 . 1 . . . . . 191 THR N . 50563 1 537 . 1 . 1 192 192 GLY H H 1 8.406 0.004 . 1 . . . . . 192 GLY H . 50563 1 538 . 1 . 1 192 192 GLY CA C 13 46.152 0.004 . 1 . . . . . 192 GLY CA . 50563 1 539 . 1 . 1 192 192 GLY N N 15 111.477 0.042 . 1 . . . . . 192 GLY N . 50563 1 540 . 1 . 1 193 193 ALA H H 1 8.324 0.002 . 1 . . . . . 193 ALA H . 50563 1 541 . 1 . 1 193 193 ALA CA C 13 55.852 0.007 . 1 . . . . . 193 ALA CA . 50563 1 542 . 1 . 1 193 193 ALA N N 15 123.418 0.034 . 1 . . . . . 193 ALA N . 50563 1 543 . 1 . 1 194 194 LYS H H 1 8.209 0.003 . 1 . . . . . 194 LYS H . 50563 1 544 . 1 . 1 194 194 LYS CA C 13 55.194 0.000 . 1 . . . . . 194 LYS CA . 50563 1 545 . 1 . 1 194 194 LYS N N 15 111.388 0.017 . 1 . . . . . 194 LYS N . 50563 1 546 . 1 . 1 195 195 ARG H H 1 6.821 0.002 . 1 . . . . . 195 ARG H . 50563 1 547 . 1 . 1 195 195 ARG CA C 13 54.036 0.043 . 1 . . . . . 195 ARG CA . 50563 1 548 . 1 . 1 195 195 ARG N N 15 116.857 0.030 . 1 . . . . . 195 ARG N . 50563 1 549 . 1 . 1 196 196 ILE H H 1 8.534 0.003 . 1 . . . . . 196 ILE H . 50563 1 550 . 1 . 1 196 196 ILE CA C 13 66.942 0.004 . 1 . . . . . 196 ILE CA . 50563 1 551 . 1 . 1 196 196 ILE N N 15 125.647 0.018 . 1 . . . . . 196 ILE N . 50563 1 552 . 1 . 1 197 197 ARG H H 1 9.697 0.003 . 1 . . . . . 197 ARG H . 50563 1 553 . 1 . 1 197 197 ARG CA C 13 58.669 0.005 . 1 . . . . . 197 ARG CA . 50563 1 554 . 1 . 1 197 197 ARG N N 15 118.849 0.037 . 1 . . . . . 197 ARG N . 50563 1 555 . 1 . 1 198 198 ALA H H 1 6.803 0.003 . 1 . . . . . 198 ALA H . 50563 1 556 . 1 . 1 198 198 ALA CA C 13 53.272 0.023 . 1 . . . . . 198 ALA CA . 50563 1 557 . 1 . 1 198 198 ALA N N 15 118.758 0.037 . 1 . . . . . 198 ALA N . 50563 1 558 . 1 . 1 199 199 GLY H H 1 7.908 0.003 . 1 . . . . . 199 GLY H . 50563 1 559 . 1 . 1 199 199 GLY CA C 13 44.893 0.002 . 1 . . . . . 199 GLY CA . 50563 1 560 . 1 . 1 199 199 GLY N N 15 104.456 0.023 . 1 . . . . . 199 GLY N . 50563 1 561 . 1 . 1 200 200 PHE H H 1 6.881 0.003 . 1 . . . . . 200 PHE H . 50563 1 562 . 1 . 1 200 200 PHE CA C 13 55.396 0.000 . 1 . . . . . 200 PHE CA . 50563 1 563 . 1 . 1 200 200 PHE N N 15 118.438 0.023 . 1 . . . . . 200 PHE N . 50563 1 564 . 1 . 1 201 201 PRO CA C 13 62.226 0.000 . 1 . . . . . 201 PRO CA . 50563 1 565 . 1 . 1 202 202 ALA H H 1 8.494 0.002 . 1 . . . . . 202 ALA H . 50563 1 566 . 1 . 1 202 202 ALA CA C 13 54.903 0.020 . 1 . . . . . 202 ALA CA . 50563 1 567 . 1 . 1 202 202 ALA N N 15 121.627 0.090 . 1 . . . . . 202 ALA N . 50563 1 568 . 1 . 1 203 203 ASP H H 1 8.685 0.004 . 1 . . . . . 203 ASP H . 50563 1 569 . 1 . 1 203 203 ASP CA C 13 53.675 0.002 . 1 . . . . . 203 ASP CA . 50563 1 570 . 1 . 1 203 203 ASP N N 15 112.477 0.013 . 1 . . . . . 203 ASP N . 50563 1 571 . 1 . 1 204 204 TRP H H 1 8.388 0.003 . 1 . . . . . 204 TRP H . 50563 1 572 . 1 . 1 204 204 TRP CA C 13 57.689 0.002 . 1 . . . . . 204 TRP CA . 50563 1 573 . 1 . 1 204 204 TRP N N 15 122.365 0.036 . 1 . . . . . 204 TRP N . 50563 1 574 . 1 . 1 205 205 LYS H H 1 8.490 0.003 . 1 . . . . . 205 LYS H . 50563 1 575 . 1 . 1 205 205 LYS CA C 13 55.837 0.010 . 1 . . . . . 205 LYS CA . 50563 1 576 . 1 . 1 205 205 LYS N N 15 125.239 0.027 . 1 . . . . . 205 LYS N . 50563 1 577 . 1 . 1 206 206 VAL H H 1 8.214 0.002 . 1 . . . . . 206 VAL H . 50563 1 578 . 1 . 1 206 206 VAL CA C 13 61.874 0.008 . 1 . . . . . 206 VAL CA . 50563 1 579 . 1 . 1 206 206 VAL N N 15 123.601 0.025 . 1 . . . . . 206 VAL N . 50563 1 580 . 1 . 1 207 207 ILE H H 1 8.926 0.003 . 1 . . . . . 207 ILE H . 50563 1 581 . 1 . 1 207 207 ILE CA C 13 59.162 0.012 . 1 . . . . . 207 ILE CA . 50563 1 582 . 1 . 1 207 207 ILE N N 15 123.652 0.022 . 1 . . . . . 207 ILE N . 50563 1 583 . 1 . 1 208 208 ASP H H 1 7.823 0.004 . 1 . . . . . 208 ASP H . 50563 1 584 . 1 . 1 208 208 ASP CA C 13 53.918 0.001 . 1 . . . . . 208 ASP CA . 50563 1 585 . 1 . 1 208 208 ASP N N 15 121.176 0.059 . 1 . . . . . 208 ASP N . 50563 1 586 . 1 . 1 209 209 LYS H H 1 8.428 0.004 . 1 . . . . . 209 LYS H . 50563 1 587 . 1 . 1 209 209 LYS CA C 13 54.643 0.000 . 1 . . . . . 209 LYS CA . 50563 1 588 . 1 . 1 209 209 LYS N N 15 113.512 0.038 . 1 . . . . . 209 LYS N . 50563 1 589 . 1 . 1 210 210 THR CA C 13 62.007 0.000 . 1 . . . . . 210 THR CA . 50563 1 590 . 1 . 1 211 211 GLY H H 1 7.439 0.004 . 1 . . . . . 211 GLY H . 50563 1 591 . 1 . 1 211 211 GLY CA C 13 49.144 0.000 . 1 . . . . . 211 GLY CA . 50563 1 592 . 1 . 1 211 211 GLY N N 15 102.237 0.006 . 1 . . . . . 211 GLY N . 50563 1 593 . 1 . 1 212 212 THR CA C 13 62.954 0.000 . 1 . . . . . 212 THR CA . 50563 1 594 . 1 . 1 213 213 GLY H H 1 8.690 0.004 . 1 . . . . . 213 GLY H . 50563 1 595 . 1 . 1 213 213 GLY CA C 13 46.136 0.003 . 1 . . . . . 213 GLY CA . 50563 1 596 . 1 . 1 213 213 GLY N N 15 113.820 0.024 . 1 . . . . . 213 GLY N . 50563 1 597 . 1 . 1 214 214 ASP H H 1 7.043 0.004 . 1 . . . . . 214 ASP H . 50563 1 598 . 1 . 1 214 214 ASP CA C 13 55.147 0.005 . 1 . . . . . 214 ASP CA . 50563 1 599 . 1 . 1 214 214 ASP N N 15 118.778 0.039 . 1 . . . . . 214 ASP N . 50563 1 600 . 1 . 1 215 215 TYR H H 1 8.439 0.004 . 1 . . . . . 215 TYR H . 50563 1 601 . 1 . 1 215 215 TYR CA C 13 58.693 0.002 . 1 . . . . . 215 TYR CA . 50563 1 602 . 1 . 1 215 215 TYR N N 15 108.394 0.029 . 1 . . . . . 215 TYR N . 50563 1 603 . 1 . 1 216 216 GLY H H 1 7.918 0.005 . 1 . . . . . 216 GLY H . 50563 1 604 . 1 . 1 216 216 GLY CA C 13 46.875 0.001 . 1 . . . . . 216 GLY CA . 50563 1 605 . 1 . 1 216 216 GLY N N 15 103.807 0.060 . 1 . . . . . 216 GLY N . 50563 1 606 . 1 . 1 217 217 ARG H H 1 7.054 0.004 . 1 . . . . . 217 ARG H . 50563 1 607 . 1 . 1 217 217 ARG CA C 13 57.092 0.005 . 1 . . . . . 217 ARG CA . 50563 1 608 . 1 . 1 217 217 ARG N N 15 120.881 0.017 . 1 . . . . . 217 ARG N . 50563 1 609 . 1 . 1 218 218 ALA H H 1 7.842 0.003 . 1 . . . . . 218 ALA H . 50563 1 610 . 1 . 1 218 218 ALA CA C 13 52.165 0.001 . 1 . . . . . 218 ALA CA . 50563 1 611 . 1 . 1 218 218 ALA N N 15 121.782 0.031 . 1 . . . . . 218 ALA N . 50563 1 612 . 1 . 1 219 219 ASN H H 1 9.670 0.001 . 1 . . . . . 219 ASN H . 50563 1 613 . 1 . 1 219 219 ASN CA C 13 50.490 0.005 . 1 . . . . . 219 ASN CA . 50563 1 614 . 1 . 1 219 219 ASN N N 15 119.094 0.043 . 1 . . . . . 219 ASN N . 50563 1 615 . 1 . 1 220 220 ASP H H 1 9.676 0.003 . 1 . . . . . 220 ASP H . 50563 1 616 . 1 . 1 220 220 ASP CA C 13 55.648 0.000 . 1 . . . . . 220 ASP CA . 50563 1 617 . 1 . 1 220 220 ASP N N 15 123.146 0.041 . 1 . . . . . 220 ASP N . 50563 1 618 . 1 . 1 221 221 ILE H H 1 8.059 0.003 . 1 . . . . . 221 ILE H . 50563 1 619 . 1 . 1 221 221 ILE CA C 13 58.686 0.006 . 1 . . . . . 221 ILE CA . 50563 1 620 . 1 . 1 221 221 ILE N N 15 119.358 0.031 . 1 . . . . . 221 ILE N . 50563 1 621 . 1 . 1 222 222 ALA H H 1 9.130 0.003 . 1 . . . . . 222 ALA H . 50563 1 622 . 1 . 1 222 222 ALA CA C 13 50.668 0.007 . 1 . . . . . 222 ALA CA . 50563 1 623 . 1 . 1 222 222 ALA N N 15 124.965 0.031 . 1 . . . . . 222 ALA N . 50563 1 624 . 1 . 1 223 223 VAL H H 1 7.992 0.003 . 1 . . . . . 223 VAL H . 50563 1 625 . 1 . 1 223 223 VAL CA C 13 62.135 0.059 . 1 . . . . . 223 VAL CA . 50563 1 626 . 1 . 1 223 223 VAL N N 15 118.586 0.033 . 1 . . . . . 223 VAL N . 50563 1 627 . 1 . 1 224 224 VAL H H 1 8.856 0.003 . 1 . . . . . 224 VAL H . 50563 1 628 . 1 . 1 224 224 VAL CA C 13 57.427 0.003 . 1 . . . . . 224 VAL CA . 50563 1 629 . 1 . 1 224 224 VAL N N 15 120.831 0.052 . 1 . . . . . 224 VAL N . 50563 1 630 . 1 . 1 225 225 TRP H H 1 9.340 0.003 . 1 . . . . . 225 TRP H . 50563 1 631 . 1 . 1 225 225 TRP CA C 13 57.409 0.006 . 1 . . . . . 225 TRP CA . 50563 1 632 . 1 . 1 225 225 TRP N N 15 121.763 0.069 . 1 . . . . . 225 TRP N . 50563 1 633 . 1 . 1 226 226 SER H H 1 8.777 0.003 . 1 . . . . . 226 SER H . 50563 1 634 . 1 . 1 226 226 SER CA C 13 55.581 0.000 . 1 . . . . . 226 SER CA . 50563 1 635 . 1 . 1 226 226 SER N N 15 119.892 0.027 . 1 . . . . . 226 SER N . 50563 1 636 . 1 . 1 227 227 PRO CA C 13 64.647 0.000 . 1 . . . . . 227 PRO CA . 50563 1 637 . 1 . 1 228 228 THR H H 1 7.165 0.004 . 1 . . . . . 228 THR H . 50563 1 638 . 1 . 1 228 228 THR CA C 13 60.886 0.009 . 1 . . . . . 228 THR CA . 50563 1 639 . 1 . 1 228 228 THR N N 15 104.502 0.045 . 1 . . . . . 228 THR N . 50563 1 640 . 1 . 1 229 229 GLY H H 1 8.207 0.003 . 1 . . . . . 229 GLY H . 50563 1 641 . 1 . 1 229 229 GLY CA C 13 45.626 0.002 . 1 . . . . . 229 GLY CA . 50563 1 642 . 1 . 1 229 229 GLY N N 15 111.141 0.029 . 1 . . . . . 229 GLY N . 50563 1 643 . 1 . 1 230 230 VAL H H 1 7.569 0.003 . 1 . . . . . 230 VAL H . 50563 1 644 . 1 . 1 230 230 VAL CA C 13 60.483 0.000 . 1 . . . . . 230 VAL CA . 50563 1 645 . 1 . 1 230 230 VAL N N 15 124.399 0.037 . 1 . . . . . 230 VAL N . 50563 1 646 . 1 . 1 231 231 PRO CA C 13 60.503 0.000 . 1 . . . . . 231 PRO CA . 50563 1 647 . 1 . 1 232 232 TYR H H 1 8.788 0.003 . 1 . . . . . 232 TYR H . 50563 1 648 . 1 . 1 232 232 TYR CA C 13 56.065 0.023 . 1 . . . . . 232 TYR CA . 50563 1 649 . 1 . 1 232 232 TYR N N 15 116.252 0.022 . 1 . . . . . 232 TYR N . 50563 1 650 . 1 . 1 233 233 VAL H H 1 8.441 0.001 . 1 . . . . . 233 VAL H . 50563 1 651 . 1 . 1 233 233 VAL CA C 13 61.450 0.002 . 1 . . . . . 233 VAL CA . 50563 1 652 . 1 . 1 233 233 VAL N N 15 122.833 0.035 . 1 . . . . . 233 VAL N . 50563 1 653 . 1 . 1 234 234 VAL H H 1 8.670 0.002 . 1 . . . . . 234 VAL H . 50563 1 654 . 1 . 1 234 234 VAL CA C 13 60.606 0.009 . 1 . . . . . 234 VAL CA . 50563 1 655 . 1 . 1 234 234 VAL N N 15 122.158 0.032 . 1 . . . . . 234 VAL N . 50563 1 656 . 1 . 1 235 235 ALA H H 1 8.657 0.003 . 1 . . . . . 235 ALA H . 50563 1 657 . 1 . 1 235 235 ALA CA C 13 50.685 0.000 . 1 . . . . . 235 ALA CA . 50563 1 658 . 1 . 1 235 235 ALA N N 15 128.748 0.034 . 1 . . . . . 235 ALA N . 50563 1 659 . 1 . 1 236 236 VAL H H 1 8.353 0.003 . 1 . . . . . 236 VAL H . 50563 1 660 . 1 . 1 236 236 VAL CA C 13 60.394 0.011 . 1 . . . . . 236 VAL CA . 50563 1 661 . 1 . 1 236 236 VAL N N 15 118.919 0.029 . 1 . . . . . 236 VAL N . 50563 1 662 . 1 . 1 237 237 MET H H 1 9.233 0.003 . 1 . . . . . 237 MET H . 50563 1 663 . 1 . 1 237 237 MET CA C 13 53.691 0.005 . 1 . . . . . 237 MET CA . 50563 1 664 . 1 . 1 237 237 MET N N 15 125.405 0.037 . 1 . . . . . 237 MET N . 50563 1 665 . 1 . 1 238 238 SER H H 1 7.771 0.004 . 1 . . . . . 238 SER H . 50563 1 666 . 1 . 1 238 238 SER CA C 13 57.935 0.008 . 1 . . . . . 238 SER CA . 50563 1 667 . 1 . 1 238 238 SER N N 15 113.832 0.016 . 1 . . . . . 238 SER N . 50563 1 668 . 1 . 1 239 239 ASP H H 1 9.304 0.003 . 1 . . . . . 239 ASP H . 50563 1 669 . 1 . 1 239 239 ASP CA C 13 53.443 0.008 . 1 . . . . . 239 ASP CA . 50563 1 670 . 1 . 1 239 239 ASP N N 15 118.327 0.032 . 1 . . . . . 239 ASP N . 50563 1 671 . 1 . 1 240 240 ARG H H 1 8.261 0.004 . 1 . . . . . 240 ARG H . 50563 1 672 . 1 . 1 240 240 ARG CA C 13 54.643 0.013 . 1 . . . . . 240 ARG CA . 50563 1 673 . 1 . 1 240 240 ARG N N 15 118.562 0.023 . 1 . . . . . 240 ARG N . 50563 1 674 . 1 . 1 241 241 ALA H H 1 8.708 0.003 . 1 . . . . . 241 ALA H . 50563 1 675 . 1 . 1 241 241 ALA CA C 13 55.327 0.014 . 1 . . . . . 241 ALA CA . 50563 1 676 . 1 . 1 241 241 ALA N N 15 121.840 0.037 . 1 . . . . . 241 ALA N . 50563 1 677 . 1 . 1 242 242 GLY H H 1 8.431 0.002 . 1 . . . . . 242 GLY H . 50563 1 678 . 1 . 1 242 242 GLY CA C 13 46.141 0.006 . 1 . . . . . 242 GLY CA . 50563 1 679 . 1 . 1 242 242 GLY N N 15 106.327 0.026 . 1 . . . . . 242 GLY N . 50563 1 680 . 1 . 1 243 243 GLY H H 1 7.987 0.003 . 1 . . . . . 243 GLY H . 50563 1 681 . 1 . 1 243 243 GLY CA C 13 45.147 0.002 . 1 . . . . . 243 GLY CA . 50563 1 682 . 1 . 1 243 243 GLY N N 15 107.067 0.025 . 1 . . . . . 243 GLY N . 50563 1 683 . 1 . 1 244 244 GLY H H 1 7.691 0.005 . 1 . . . . . 244 GLY H . 50563 1 684 . 1 . 1 244 244 GLY CA C 13 44.314 0.002 . 1 . . . . . 244 GLY CA . 50563 1 685 . 1 . 1 244 244 GLY N N 15 107.519 0.065 . 1 . . . . . 244 GLY N . 50563 1 686 . 1 . 1 245 245 TYR H H 1 8.420 0.002 . 1 . . . . . 245 TYR H . 50563 1 687 . 1 . 1 245 245 TYR CA C 13 60.676 0.002 . 1 . . . . . 245 TYR CA . 50563 1 688 . 1 . 1 245 245 TYR N N 15 119.789 0.022 . 1 . . . . . 245 TYR N . 50563 1 689 . 1 . 1 246 246 ASP H H 1 7.935 0.002 . 1 . . . . . 246 ASP H . 50563 1 690 . 1 . 1 246 246 ASP CA C 13 52.643 0.000 . 1 . . . . . 246 ASP CA . 50563 1 691 . 1 . 1 246 246 ASP N N 15 116.720 0.046 . 1 . . . . . 246 ASP N . 50563 1 692 . 1 . 1 247 247 ALA H H 1 7.098 0.003 . 1 . . . . . 247 ALA H . 50563 1 693 . 1 . 1 247 247 ALA CA C 13 52.871 0.009 . 1 . . . . . 247 ALA CA . 50563 1 694 . 1 . 1 247 247 ALA N N 15 123.313 0.057 . 1 . . . . . 247 ALA N . 50563 1 695 . 1 . 1 248 248 GLU H H 1 8.491 0.001 . 1 . . . . . 248 GLU H . 50563 1 696 . 1 . 1 248 248 GLU CA C 13 54.631 0.000 . 1 . . . . . 248 GLU CA . 50563 1 697 . 1 . 1 248 248 GLU N N 15 124.287 0.026 . 1 . . . . . 248 GLU N . 50563 1 698 . 1 . 1 249 249 PRO CA C 13 62.148 0.000 . 1 . . . . . 249 PRO CA . 50563 1 699 . 1 . 1 250 250 ARG H H 1 8.789 0.004 . 1 . . . . . 250 ARG H . 50563 1 700 . 1 . 1 250 250 ARG CA C 13 52.659 0.010 . 1 . . . . . 250 ARG CA . 50563 1 701 . 1 . 1 250 250 ARG N N 15 122.126 0.038 . 1 . . . . . 250 ARG N . 50563 1 702 . 1 . 1 251 251 GLU H H 1 8.534 0.002 . 1 . . . . . 251 GLU H . 50563 1 703 . 1 . 1 251 251 GLU CA C 13 61.249 0.013 . 1 . . . . . 251 GLU CA . 50563 1 704 . 1 . 1 251 251 GLU N N 15 123.089 0.046 . 1 . . . . . 251 GLU N . 50563 1 705 . 1 . 1 252 252 ALA H H 1 8.589 0.002 . 1 . . . . . 252 ALA H . 50563 1 706 . 1 . 1 252 252 ALA CA C 13 54.454 0.009 . 1 . . . . . 252 ALA CA . 50563 1 707 . 1 . 1 252 252 ALA N N 15 118.751 0.030 . 1 . . . . . 252 ALA N . 50563 1 708 . 1 . 1 253 253 LEU H H 1 6.312 0.004 . 1 . . . . . 253 LEU H . 50563 1 709 . 1 . 1 253 253 LEU CA C 13 57.688 0.000 . 1 . . . . . 253 LEU CA . 50563 1 710 . 1 . 1 253 253 LEU N N 15 116.919 0.018 . 1 . . . . . 253 LEU N . 50563 1 711 . 1 . 1 254 254 LEU H H 1 6.742 0.004 . 1 . . . . . 254 LEU H . 50563 1 712 . 1 . 1 254 254 LEU CA C 13 58.475 0.004 . 1 . . . . . 254 LEU CA . 50563 1 713 . 1 . 1 254 254 LEU N N 15 116.536 0.037 . 1 . . . . . 254 LEU N . 50563 1 714 . 1 . 1 255 255 ALA H H 1 7.201 0.002 . 1 . . . . . 255 ALA H . 50563 1 715 . 1 . 1 255 255 ALA CA C 13 55.440 0.003 . 1 . . . . . 255 ALA CA . 50563 1 716 . 1 . 1 255 255 ALA N N 15 120.942 0.024 . 1 . . . . . 255 ALA N . 50563 1 717 . 1 . 1 256 256 GLU H H 1 8.416 0.002 . 1 . . . . . 256 GLU H . 50563 1 718 . 1 . 1 256 256 GLU CA C 13 60.949 0.001 . 1 . . . . . 256 GLU CA . 50563 1 719 . 1 . 1 256 256 GLU N N 15 118.077 0.031 . 1 . . . . . 256 GLU N . 50563 1 720 . 1 . 1 257 257 ALA H H 1 8.457 0.003 . 1 . . . . . 257 ALA H . 50563 1 721 . 1 . 1 257 257 ALA CA C 13 55.838 0.004 . 1 . . . . . 257 ALA CA . 50563 1 722 . 1 . 1 257 257 ALA N N 15 123.971 0.037 . 1 . . . . . 257 ALA N . 50563 1 723 . 1 . 1 258 258 ALA H H 1 8.190 0.002 . 1 . . . . . 258 ALA H . 50563 1 724 . 1 . 1 258 258 ALA CA C 13 55.194 0.000 . 1 . . . . . 258 ALA CA . 50563 1 725 . 1 . 1 258 258 ALA N N 15 119.037 0.033 . 1 . . . . . 258 ALA N . 50563 1 726 . 1 . 1 259 259 THR H H 1 8.039 0.003 . 1 . . . . . 259 THR H . 50563 1 727 . 1 . 1 259 259 THR CA C 13 66.415 0.012 . 1 . . . . . 259 THR CA . 50563 1 728 . 1 . 1 259 259 THR N N 15 116.121 0.028 . 1 . . . . . 259 THR N . 50563 1 729 . 1 . 1 260 260 CYS H H 1 7.410 0.003 . 1 . . . . . 260 CYS H . 50563 1 730 . 1 . 1 260 260 CYS CA C 13 62.926 0.001 . 1 . . . . . 260 CYS CA . 50563 1 731 . 1 . 1 260 260 CYS N N 15 120.361 0.019 . 1 . . . . . 260 CYS N . 50563 1 732 . 1 . 1 261 261 VAL H H 1 7.335 0.003 . 1 . . . . . 261 VAL H . 50563 1 733 . 1 . 1 261 261 VAL CA C 13 66.480 0.002 . 1 . . . . . 261 VAL CA . 50563 1 734 . 1 . 1 261 261 VAL N N 15 118.907 0.042 . 1 . . . . . 261 VAL N . 50563 1 735 . 1 . 1 262 262 ALA H H 1 8.278 0.002 . 1 . . . . . 262 ALA H . 50563 1 736 . 1 . 1 262 262 ALA CA C 13 55.012 0.012 . 1 . . . . . 262 ALA CA . 50563 1 737 . 1 . 1 262 262 ALA N N 15 121.416 0.028 . 1 . . . . . 262 ALA N . 50563 1 738 . 1 . 1 263 263 GLY H H 1 7.155 0.003 . 1 . . . . . 263 GLY H . 50563 1 739 . 1 . 1 263 263 GLY CA C 13 46.167 0.000 . 1 . . . . . 263 GLY CA . 50563 1 740 . 1 . 1 263 263 GLY N N 15 100.614 0.022 . 1 . . . . . 263 GLY N . 50563 1 741 . 1 . 1 264 264 VAL H H 1 7.254 0.004 . 1 . . . . . 264 VAL H . 50563 1 742 . 1 . 1 264 264 VAL CA C 13 62.898 0.004 . 1 . . . . . 264 VAL CA . 50563 1 743 . 1 . 1 264 264 VAL N N 15 116.395 0.013 . 1 . . . . . 264 VAL N . 50563 1 744 . 1 . 1 265 265 LEU H H 1 7.058 0.002 . 1 . . . . . 265 LEU H . 50563 1 745 . 1 . 1 265 265 LEU CA C 13 55.005 0.004 . 1 . . . . . 265 LEU CA . 50563 1 746 . 1 . 1 265 265 LEU N N 15 119.827 0.037 . 1 . . . . . 265 LEU N . 50563 1 747 . 1 . 1 266 266 ALA H H 1 7.074 0.003 . 1 . . . . . 266 ALA H . 50563 1 748 . 1 . 1 266 266 ALA CA C 13 54.428 0.000 . 1 . . . . . 266 ALA CA . 50563 1 749 . 1 . 1 266 266 ALA N N 15 125.727 0.095 . 1 . . . . . 266 ALA N . 50563 1 stop_ save_