data_50679 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50679 _Entry.Title ; human thrombin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-12-21 _Entry.Accession_date 2020-12-21 _Entry.Last_release_date 2021-01-20 _Entry.Original_release_date 2021-01-20 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'human alpha thrombin' _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 Brian Fuglestad . . . 0000-0001-8304-8269 50679 2 Marco Tonelli . . . 0000-0002-7700-5745 50679 3 Elizabeth Komives . . . 0000-0001-5264-3866 50679 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of California San Diego' . 50679 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50679 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 637 50679 '15N chemical shifts' 213 50679 '1H chemical shifts' 213 50679 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-02-22 . original BMRB . 50679 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50676 PPACK-thrombin 50679 BMRB 50678 'thrombin-thrombomodulin complex' 50679 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50679 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 28059082 _Citation.DOI 10.1038/srep39575 _Citation.Full_citation . _Citation.Title ; NMR reveals a dynamic allosteric pathway in thrombin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 39575 _Citation.Page_last 39575 _Citation.Year 2017 _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 Lindsey Handley . D. . . 50679 1 2 Brian Fuglestad . . . . 50679 1 3 Kyle Stearns . . . . 50679 1 4 Marco Tonelli . . . . 50679 1 5 'R Bryn' Fenwick . . . . 50679 1 6 Phineus Markwick . R.L. . . 50679 1 7 Elizabeth Komives . A. . . 50679 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50679 _Assembly.ID 1 _Assembly.Name 'human thrombin' _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 'human thrombin' 1 $entity_1 . . yes native no no . . . 50679 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50679 _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 ; TFGSGEADCGLRPLFEKKSL EDKTERELLESYIDGRIVEG SDAEIGMSPWQVMLFRKSPQ ELLCGASLISDRWVLTAAHC LLYPPWDKNFTENDLLVRIG KHSRTRYERNIEKISMLEKI YIHPRYNWRENLDRDIALMK LKKPVAFSDYIHPVCLPDRE TAASLLQAGYKGRVTGWGNL KETWTANVGKGQPSVLQVVN LPIVERPVCKDSTRIRITDN MFCAGYKPDEGKRGDACEGD SGGPFVMKSPFNNRWYQMGI VSWGEGCDRDGKYGFYTHVF RLKKWIQKVIDQFGE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 295 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'S195M where the mutated serine is actually Ser 241 in the sequential numbering.' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 1ppb . thrombin . . . . . . . . . . . . . . 50679 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'blood clotting' 50679 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 . THR . 50679 1 2 . PHE . 50679 1 3 . GLY . 50679 1 4 . SER . 50679 1 5 . GLY . 50679 1 6 . GLU . 50679 1 7 . ALA . 50679 1 8 . ASP . 50679 1 9 . CYS . 50679 1 10 . GLY . 50679 1 11 . LEU . 50679 1 12 . ARG . 50679 1 13 . PRO . 50679 1 14 . LEU . 50679 1 15 . PHE . 50679 1 16 . GLU . 50679 1 17 . LYS . 50679 1 18 . LYS . 50679 1 19 . SER . 50679 1 20 . LEU . 50679 1 21 . GLU . 50679 1 22 . ASP . 50679 1 23 . LYS . 50679 1 24 . THR . 50679 1 25 . GLU . 50679 1 26 . ARG . 50679 1 27 . GLU . 50679 1 28 . LEU . 50679 1 29 . LEU . 50679 1 30 . GLU . 50679 1 31 . SER . 50679 1 32 . TYR . 50679 1 33 . ILE . 50679 1 34 . ASP . 50679 1 35 . GLY . 50679 1 36 . ARG . 50679 1 37 . ILE . 50679 1 38 . VAL . 50679 1 39 . GLU . 50679 1 40 . GLY . 50679 1 41 . SER . 50679 1 42 . ASP . 50679 1 43 . ALA . 50679 1 44 . GLU . 50679 1 45 . ILE . 50679 1 46 . GLY . 50679 1 47 . MET . 50679 1 48 . SER . 50679 1 49 . PRO . 50679 1 50 . TRP . 50679 1 51 . GLN . 50679 1 52 . VAL . 50679 1 53 . MET . 50679 1 54 . LEU . 50679 1 55 . PHE . 50679 1 56 . ARG . 50679 1 57 . LYS . 50679 1 58 . SER . 50679 1 59 . PRO . 50679 1 60 . GLN . 50679 1 61 . GLU . 50679 1 62 . LEU . 50679 1 63 . LEU . 50679 1 64 . CYS . 50679 1 65 . GLY . 50679 1 66 . ALA . 50679 1 67 . SER . 50679 1 68 . LEU . 50679 1 69 . ILE . 50679 1 70 . SER . 50679 1 71 . ASP . 50679 1 72 . ARG . 50679 1 73 . TRP . 50679 1 74 . VAL . 50679 1 75 . LEU . 50679 1 76 . THR . 50679 1 77 . ALA . 50679 1 78 . ALA . 50679 1 79 . HIS . 50679 1 80 . CYS . 50679 1 81 . LEU . 50679 1 82 . LEU . 50679 1 83 . TYR . 50679 1 84 . PRO . 50679 1 85 . PRO . 50679 1 86 . TRP . 50679 1 87 . ASP . 50679 1 88 . LYS . 50679 1 89 . ASN . 50679 1 90 . PHE . 50679 1 91 . THR . 50679 1 92 . GLU . 50679 1 93 . ASN . 50679 1 94 . ASP . 50679 1 95 . LEU . 50679 1 96 . LEU . 50679 1 97 . VAL . 50679 1 98 . ARG . 50679 1 99 . ILE . 50679 1 100 . GLY . 50679 1 101 . LYS . 50679 1 102 . HIS . 50679 1 103 . SER . 50679 1 104 . ARG . 50679 1 105 . THR . 50679 1 106 . ARG . 50679 1 107 . TYR . 50679 1 108 . GLU . 50679 1 109 . ARG . 50679 1 110 . ASN . 50679 1 111 . ILE . 50679 1 112 . GLU . 50679 1 113 . LYS . 50679 1 114 . ILE . 50679 1 115 . SER . 50679 1 116 . MET . 50679 1 117 . LEU . 50679 1 118 . GLU . 50679 1 119 . LYS . 50679 1 120 . ILE . 50679 1 121 . TYR . 50679 1 122 . ILE . 50679 1 123 . HIS . 50679 1 124 . PRO . 50679 1 125 . ARG . 50679 1 126 . TYR . 50679 1 127 . ASN . 50679 1 128 . TRP . 50679 1 129 . ARG . 50679 1 130 . GLU . 50679 1 131 . ASN . 50679 1 132 . LEU . 50679 1 133 . ASP . 50679 1 134 . ARG . 50679 1 135 . ASP . 50679 1 136 . ILE . 50679 1 137 . ALA . 50679 1 138 . LEU . 50679 1 139 . MET . 50679 1 140 . LYS . 50679 1 141 . LEU . 50679 1 142 . LYS . 50679 1 143 . LYS . 50679 1 144 . PRO . 50679 1 145 . VAL . 50679 1 146 . ALA . 50679 1 147 . PHE . 50679 1 148 . SER . 50679 1 149 . ASP . 50679 1 150 . TYR . 50679 1 151 . ILE . 50679 1 152 . HIS . 50679 1 153 . PRO . 50679 1 154 . VAL . 50679 1 155 . CYS . 50679 1 156 . LEU . 50679 1 157 . PRO . 50679 1 158 . ASP . 50679 1 159 . ARG . 50679 1 160 . GLU . 50679 1 161 . THR . 50679 1 162 . ALA . 50679 1 163 . ALA . 50679 1 164 . SER . 50679 1 165 . LEU . 50679 1 166 . LEU . 50679 1 167 . GLN . 50679 1 168 . ALA . 50679 1 169 . GLY . 50679 1 170 . TYR . 50679 1 171 . LYS . 50679 1 172 . GLY . 50679 1 173 . ARG . 50679 1 174 . VAL . 50679 1 175 . THR . 50679 1 176 . GLY . 50679 1 177 . TRP . 50679 1 178 . GLY . 50679 1 179 . ASN . 50679 1 180 . LEU . 50679 1 181 . LYS . 50679 1 182 . GLU . 50679 1 183 . THR . 50679 1 184 . TRP . 50679 1 185 . THR . 50679 1 186 . ALA . 50679 1 187 . ASN . 50679 1 188 . VAL . 50679 1 189 . GLY . 50679 1 190 . LYS . 50679 1 191 . GLY . 50679 1 192 . GLN . 50679 1 193 . PRO . 50679 1 194 . SER . 50679 1 195 . VAL . 50679 1 196 . LEU . 50679 1 197 . GLN . 50679 1 198 . VAL . 50679 1 199 . VAL . 50679 1 200 . ASN . 50679 1 201 . LEU . 50679 1 202 . PRO . 50679 1 203 . ILE . 50679 1 204 . VAL . 50679 1 205 . GLU . 50679 1 206 . ARG . 50679 1 207 . PRO . 50679 1 208 . VAL . 50679 1 209 . CYS . 50679 1 210 . LYS . 50679 1 211 . ASP . 50679 1 212 . SER . 50679 1 213 . THR . 50679 1 214 . ARG . 50679 1 215 . ILE . 50679 1 216 . ARG . 50679 1 217 . ILE . 50679 1 218 . THR . 50679 1 219 . ASP . 50679 1 220 . ASN . 50679 1 221 . MET . 50679 1 222 . PHE . 50679 1 223 . CYS . 50679 1 224 . ALA . 50679 1 225 . GLY . 50679 1 226 . TYR . 50679 1 227 . LYS . 50679 1 228 . PRO . 50679 1 229 . ASP . 50679 1 230 . GLU . 50679 1 231 . GLY . 50679 1 232 . LYS . 50679 1 233 . ARG . 50679 1 234 . GLY . 50679 1 235 . ASP . 50679 1 236 . ALA . 50679 1 237 . CYS . 50679 1 238 . GLU . 50679 1 239 . GLY . 50679 1 240 . ASP . 50679 1 241 . SER . 50679 1 242 . GLY . 50679 1 243 . GLY . 50679 1 244 . PRO . 50679 1 245 . PHE . 50679 1 246 . VAL . 50679 1 247 . MET . 50679 1 248 . LYS . 50679 1 249 . SER . 50679 1 250 . PRO . 50679 1 251 . PHE . 50679 1 252 . ASN . 50679 1 253 . ASN . 50679 1 254 . ARG . 50679 1 255 . TRP . 50679 1 256 . TYR . 50679 1 257 . GLN . 50679 1 258 . MET . 50679 1 259 . GLY . 50679 1 260 . ILE . 50679 1 261 . VAL . 50679 1 262 . SER . 50679 1 263 . TRP . 50679 1 264 . GLY . 50679 1 265 . GLU . 50679 1 266 . GLY . 50679 1 267 . CYS . 50679 1 268 . ASP . 50679 1 269 . ARG . 50679 1 270 . ASP . 50679 1 271 . GLY . 50679 1 272 . LYS . 50679 1 273 . TYR . 50679 1 274 . GLY . 50679 1 275 . PHE . 50679 1 276 . TYR . 50679 1 277 . THR . 50679 1 278 . HIS . 50679 1 279 . VAL . 50679 1 280 . PHE . 50679 1 281 . ARG . 50679 1 282 . LEU . 50679 1 283 . LYS . 50679 1 284 . LYS . 50679 1 285 . TRP . 50679 1 286 . ILE . 50679 1 287 . GLN . 50679 1 288 . LYS . 50679 1 289 . VAL . 50679 1 290 . ILE . 50679 1 291 . ASP . 50679 1 292 . GLN . 50679 1 293 . PHE . 50679 1 294 . GLY . 50679 1 295 . GLU . 50679 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 . THR 1 1 50679 1 . PHE 2 2 50679 1 . GLY 3 3 50679 1 . SER 4 4 50679 1 . GLY 5 5 50679 1 . GLU 6 6 50679 1 . ALA 7 7 50679 1 . ASP 8 8 50679 1 . CYS 9 9 50679 1 . GLY 10 10 50679 1 . LEU 11 11 50679 1 . ARG 12 12 50679 1 . PRO 13 13 50679 1 . LEU 14 14 50679 1 . PHE 15 15 50679 1 . GLU 16 16 50679 1 . LYS 17 17 50679 1 . LYS 18 18 50679 1 . SER 19 19 50679 1 . LEU 20 20 50679 1 . GLU 21 21 50679 1 . ASP 22 22 50679 1 . LYS 23 23 50679 1 . THR 24 24 50679 1 . GLU 25 25 50679 1 . ARG 26 26 50679 1 . GLU 27 27 50679 1 . LEU 28 28 50679 1 . LEU 29 29 50679 1 . GLU 30 30 50679 1 . SER 31 31 50679 1 . TYR 32 32 50679 1 . ILE 33 33 50679 1 . ASP 34 34 50679 1 . GLY 35 35 50679 1 . ARG 36 36 50679 1 . ILE 37 37 50679 1 . VAL 38 38 50679 1 . GLU 39 39 50679 1 . GLY 40 40 50679 1 . SER 41 41 50679 1 . ASP 42 42 50679 1 . ALA 43 43 50679 1 . GLU 44 44 50679 1 . ILE 45 45 50679 1 . GLY 46 46 50679 1 . MET 47 47 50679 1 . SER 48 48 50679 1 . PRO 49 49 50679 1 . TRP 50 50 50679 1 . GLN 51 51 50679 1 . VAL 52 52 50679 1 . MET 53 53 50679 1 . LEU 54 54 50679 1 . PHE 55 55 50679 1 . ARG 56 56 50679 1 . LYS 57 57 50679 1 . SER 58 58 50679 1 . PRO 59 59 50679 1 . GLN 60 60 50679 1 . GLU 61 61 50679 1 . LEU 62 62 50679 1 . LEU 63 63 50679 1 . CYS 64 64 50679 1 . GLY 65 65 50679 1 . ALA 66 66 50679 1 . SER 67 67 50679 1 . LEU 68 68 50679 1 . ILE 69 69 50679 1 . SER 70 70 50679 1 . ASP 71 71 50679 1 . ARG 72 72 50679 1 . TRP 73 73 50679 1 . VAL 74 74 50679 1 . LEU 75 75 50679 1 . THR 76 76 50679 1 . ALA 77 77 50679 1 . ALA 78 78 50679 1 . HIS 79 79 50679 1 . CYS 80 80 50679 1 . LEU 81 81 50679 1 . LEU 82 82 50679 1 . TYR 83 83 50679 1 . PRO 84 84 50679 1 . PRO 85 85 50679 1 . TRP 86 86 50679 1 . ASP 87 87 50679 1 . LYS 88 88 50679 1 . ASN 89 89 50679 1 . PHE 90 90 50679 1 . THR 91 91 50679 1 . GLU 92 92 50679 1 . ASN 93 93 50679 1 . ASP 94 94 50679 1 . LEU 95 95 50679 1 . LEU 96 96 50679 1 . VAL 97 97 50679 1 . ARG 98 98 50679 1 . ILE 99 99 50679 1 . GLY 100 100 50679 1 . LYS 101 101 50679 1 . HIS 102 102 50679 1 . SER 103 103 50679 1 . ARG 104 104 50679 1 . THR 105 105 50679 1 . ARG 106 106 50679 1 . TYR 107 107 50679 1 . GLU 108 108 50679 1 . ARG 109 109 50679 1 . ASN 110 110 50679 1 . ILE 111 111 50679 1 . GLU 112 112 50679 1 . LYS 113 113 50679 1 . ILE 114 114 50679 1 . SER 115 115 50679 1 . MET 116 116 50679 1 . LEU 117 117 50679 1 . GLU 118 118 50679 1 . LYS 119 119 50679 1 . ILE 120 120 50679 1 . TYR 121 121 50679 1 . ILE 122 122 50679 1 . HIS 123 123 50679 1 . PRO 124 124 50679 1 . ARG 125 125 50679 1 . TYR 126 126 50679 1 . ASN 127 127 50679 1 . TRP 128 128 50679 1 . ARG 129 129 50679 1 . GLU 130 130 50679 1 . ASN 131 131 50679 1 . LEU 132 132 50679 1 . ASP 133 133 50679 1 . ARG 134 134 50679 1 . ASP 135 135 50679 1 . ILE 136 136 50679 1 . ALA 137 137 50679 1 . LEU 138 138 50679 1 . MET 139 139 50679 1 . LYS 140 140 50679 1 . LEU 141 141 50679 1 . LYS 142 142 50679 1 . LYS 143 143 50679 1 . PRO 144 144 50679 1 . VAL 145 145 50679 1 . ALA 146 146 50679 1 . PHE 147 147 50679 1 . SER 148 148 50679 1 . ASP 149 149 50679 1 . TYR 150 150 50679 1 . ILE 151 151 50679 1 . HIS 152 152 50679 1 . PRO 153 153 50679 1 . VAL 154 154 50679 1 . CYS 155 155 50679 1 . LEU 156 156 50679 1 . PRO 157 157 50679 1 . ASP 158 158 50679 1 . ARG 159 159 50679 1 . GLU 160 160 50679 1 . THR 161 161 50679 1 . ALA 162 162 50679 1 . ALA 163 163 50679 1 . SER 164 164 50679 1 . LEU 165 165 50679 1 . LEU 166 166 50679 1 . GLN 167 167 50679 1 . ALA 168 168 50679 1 . GLY 169 169 50679 1 . TYR 170 170 50679 1 . LYS 171 171 50679 1 . GLY 172 172 50679 1 . ARG 173 173 50679 1 . VAL 174 174 50679 1 . THR 175 175 50679 1 . GLY 176 176 50679 1 . TRP 177 177 50679 1 . GLY 178 178 50679 1 . ASN 179 179 50679 1 . LEU 180 180 50679 1 . LYS 181 181 50679 1 . GLU 182 182 50679 1 . THR 183 183 50679 1 . TRP 184 184 50679 1 . THR 185 185 50679 1 . ALA 186 186 50679 1 . ASN 187 187 50679 1 . VAL 188 188 50679 1 . GLY 189 189 50679 1 . LYS 190 190 50679 1 . GLY 191 191 50679 1 . GLN 192 192 50679 1 . PRO 193 193 50679 1 . SER 194 194 50679 1 . VAL 195 195 50679 1 . LEU 196 196 50679 1 . GLN 197 197 50679 1 . VAL 198 198 50679 1 . VAL 199 199 50679 1 . ASN 200 200 50679 1 . LEU 201 201 50679 1 . PRO 202 202 50679 1 . ILE 203 203 50679 1 . VAL 204 204 50679 1 . GLU 205 205 50679 1 . ARG 206 206 50679 1 . PRO 207 207 50679 1 . VAL 208 208 50679 1 . CYS 209 209 50679 1 . LYS 210 210 50679 1 . ASP 211 211 50679 1 . SER 212 212 50679 1 . THR 213 213 50679 1 . ARG 214 214 50679 1 . ILE 215 215 50679 1 . ARG 216 216 50679 1 . ILE 217 217 50679 1 . THR 218 218 50679 1 . ASP 219 219 50679 1 . ASN 220 220 50679 1 . MET 221 221 50679 1 . PHE 222 222 50679 1 . CYS 223 223 50679 1 . ALA 224 224 50679 1 . GLY 225 225 50679 1 . TYR 226 226 50679 1 . LYS 227 227 50679 1 . PRO 228 228 50679 1 . ASP 229 229 50679 1 . GLU 230 230 50679 1 . GLY 231 231 50679 1 . LYS 232 232 50679 1 . ARG 233 233 50679 1 . GLY 234 234 50679 1 . ASP 235 235 50679 1 . ALA 236 236 50679 1 . CYS 237 237 50679 1 . GLU 238 238 50679 1 . GLY 239 239 50679 1 . ASP 240 240 50679 1 . SER 241 241 50679 1 . GLY 242 242 50679 1 . GLY 243 243 50679 1 . PRO 244 244 50679 1 . PHE 245 245 50679 1 . VAL 246 246 50679 1 . MET 247 247 50679 1 . LYS 248 248 50679 1 . SER 249 249 50679 1 . PRO 250 250 50679 1 . PHE 251 251 50679 1 . ASN 252 252 50679 1 . ASN 253 253 50679 1 . ARG 254 254 50679 1 . TRP 255 255 50679 1 . TYR 256 256 50679 1 . GLN 257 257 50679 1 . MET 258 258 50679 1 . GLY 259 259 50679 1 . ILE 260 260 50679 1 . VAL 261 261 50679 1 . SER 262 262 50679 1 . TRP 263 263 50679 1 . GLY 264 264 50679 1 . GLU 265 265 50679 1 . GLY 266 266 50679 1 . CYS 267 267 50679 1 . ASP 268 268 50679 1 . ARG 269 269 50679 1 . ASP 270 270 50679 1 . GLY 271 271 50679 1 . LYS 272 272 50679 1 . TYR 273 273 50679 1 . GLY 274 274 50679 1 . PHE 275 275 50679 1 . TYR 276 276 50679 1 . THR 277 277 50679 1 . HIS 278 278 50679 1 . VAL 279 279 50679 1 . PHE 280 280 50679 1 . ARG 281 281 50679 1 . LEU 282 282 50679 1 . LYS 283 283 50679 1 . LYS 284 284 50679 1 . TRP 285 285 50679 1 . ILE 286 286 50679 1 . GLN 287 287 50679 1 . LYS 288 288 50679 1 . VAL 289 289 50679 1 . ILE 290 290 50679 1 . ASP 291 291 50679 1 . GLN 292 292 50679 1 . PHE 293 293 50679 1 . GLY 294 294 50679 1 . GLU 295 295 50679 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 50679 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50679 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 50679 _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 BL21(DE3) pLysS . plasmid . . pET . . . 50679 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50679 _Sample.ID 1 _Sample.Name 'human apo thrombin (S195M)' _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.12 M in phosphate buffer pH 6.5 100 mM NaCl' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 thrombin '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 0.12 . . M . . . . 50679 1 2 D-Phe-Pro-Arg-chloromethylketone 'natural abundance' . . . . . . 0.12 . . M . . . . 50679 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 50679 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50679 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'thrombin buffer' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 50679 1 pH 6.5 . pH 50679 1 pressure 1 . atm 50679 1 temperature 298 . K 50679 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50679 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50679 1 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 50679 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50679 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Varian 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VXRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 50679 _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 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50679 1 2 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50679 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50679 1 4 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50679 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50679 1 6 '3D HN(CA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50679 1 7 '3D 15N-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50679 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 50679 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 DSS 'methyl protons' . . . . ppm 0.0 internal indirect . . . . . . 50679 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1 . . . . . 50679 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect . . . . . . 50679 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 50679 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'human thrombin' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 50679 1 2 '3D HN(CA)CO' . . . 50679 1 3 '3D HN(CO)CA' . . . 50679 1 4 '3D HN(COCA)CB' . . . 50679 1 5 '3D HNCA' . . . 50679 1 6 '3D HN(CA)CB' . . . 50679 1 7 '3D 15N-separated NOESY' . . . 50679 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 . . 50679 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 2 2 PHE C C 13 176.517 . . . . . . . . 2 PHE C . 50679 1 2 . 1 . 1 2 2 PHE CA C 13 58.915 . . . . . . . . 2 PHE CA . 50679 1 3 . 1 . 1 2 2 PHE CB C 13 39.018 . . . . . . . . 2 PHE CB . 50679 1 4 . 1 . 1 3 3 GLY H H 1 8.605 . . . . . . . . 3 GLY H . 50679 1 5 . 1 . 1 3 3 GLY C C 13 174.658 . . . . . . . . 3 GLY C . 50679 1 6 . 1 . 1 3 3 GLY CA C 13 44.978 . . . . . . . . 3 GLY CA . 50679 1 7 . 1 . 1 3 3 GLY N N 15 111.177 . . . . . . . . 3 GLY N . 50679 1 8 . 1 . 1 4 4 SER H H 1 8.285 . . . . . . . . 4 SER H . 50679 1 9 . 1 . 1 4 4 SER C C 13 175.157 . . . . . . . . 4 SER C . 50679 1 10 . 1 . 1 4 4 SER CA C 13 58.661 . . . . . . . . 4 SER CA . 50679 1 11 . 1 . 1 4 4 SER N N 15 117.625 . . . . . . . . 4 SER N . 50679 1 12 . 1 . 1 5 5 GLY H H 1 8.4 . . . . . . . . 5 GLY H . 50679 1 13 . 1 . 1 5 5 GLY C C 13 174.364 . . . . . . . . 5 GLY C . 50679 1 14 . 1 . 1 5 5 GLY CA C 13 45.035 . . . . . . . . 5 GLY CA . 50679 1 15 . 1 . 1 5 5 GLY N N 15 110.899 . . . . . . . . 5 GLY N . 50679 1 16 . 1 . 1 6 6 GLU H H 1 8.248 . . . . . . . . 6 GLU H . 50679 1 17 . 1 . 1 6 6 GLU C C 13 177.761 . . . . . . . . 6 GLU C . 50679 1 18 . 1 . 1 6 6 GLU CA C 13 57.061 . . . . . . . . 6 GLU CA . 50679 1 19 . 1 . 1 6 6 GLU CB C 13 29.298 . . . . . . . . 6 GLU CB . 50679 1 20 . 1 . 1 6 6 GLU N N 15 120.902 . . . . . . . . 6 GLU N . 50679 1 21 . 1 . 1 7 7 ALA H H 1 8.374 . . . . . . . . 7 ALA H . 50679 1 22 . 1 . 1 7 7 ALA C C 13 178.233 . . . . . . . . 7 ALA C . 50679 1 23 . 1 . 1 7 7 ALA CA C 13 53.621 . . . . . . . . 7 ALA CA . 50679 1 24 . 1 . 1 7 7 ALA CB C 13 17.977 . . . . . . . . 7 ALA CB . 50679 1 25 . 1 . 1 7 7 ALA N N 15 124.257 . . . . . . . . 7 ALA N . 50679 1 26 . 1 . 1 8 8 ASP H H 1 8.268 . . . . . . . . 8 ASP H . 50679 1 27 . 1 . 1 8 8 ASP C C 13 176.598 . . . . . . . . 8 ASP C . 50679 1 28 . 1 . 1 8 8 ASP CA C 13 52.921 . . . . . . . . 8 ASP CA . 50679 1 29 . 1 . 1 8 8 ASP CB C 13 40.539 . . . . . . . . 8 ASP CB . 50679 1 30 . 1 . 1 8 8 ASP N N 15 118.172 . . . . . . . . 8 ASP N . 50679 1 31 . 1 . 1 9 9 CYS H H 1 7.751 . . . . . . . . 9 CYS H . 50679 1 32 . 1 . 1 9 9 CYS C C 13 175.086 . . . . . . . . 9 CYS C . 50679 1 33 . 1 . 1 9 9 CYS CA C 13 54.98 . . . . . . . . 9 CYS CA . 50679 1 34 . 1 . 1 9 9 CYS CB C 13 41.816 . . . . . . . . 9 CYS CB . 50679 1 35 . 1 . 1 9 9 CYS N N 15 118.455 . . . . . . . . 9 CYS N . 50679 1 36 . 1 . 1 10 10 GLY H H 1 9.17 . . . . . . . . 10 GLY H . 50679 1 37 . 1 . 1 10 10 GLY C C 13 172.321 . . . . . . . . 10 GLY C . 50679 1 38 . 1 . 1 10 10 GLY CA C 13 47.775 . . . . . . . . 10 GLY CA . 50679 1 39 . 1 . 1 10 10 GLY N N 15 104.872 . . . . . . . . 10 GLY N . 50679 1 40 . 1 . 1 11 11 LEU H H 1 7.192 . . . . . . . . 11 LEU H . 50679 1 41 . 1 . 1 11 11 LEU C C 13 175.061 . . . . . . . . 11 LEU C . 50679 1 42 . 1 . 1 11 11 LEU CA C 13 52.477 . . . . . . . . 11 LEU CA . 50679 1 43 . 1 . 1 11 11 LEU CB C 13 42.267 . . . . . . . . 11 LEU CB . 50679 1 44 . 1 . 1 11 11 LEU N N 15 120.071 . . . . . . . . 11 LEU N . 50679 1 45 . 1 . 1 12 12 ARG H H 1 8.764 . . . . . . . . 12 ARG H . 50679 1 46 . 1 . 1 12 12 ARG C C 13 176.616 . . . . . . . . 12 ARG C . 50679 1 47 . 1 . 1 12 12 ARG CA C 13 54.362 . . . . . . . . 12 ARG CA . 50679 1 48 . 1 . 1 12 12 ARG N N 15 121.02 . . . . . . . . 12 ARG N . 50679 1 49 . 1 . 1 13 13 PRO C C 13 177.063 . . . . . . . . 13 PRO C . 50679 1 50 . 1 . 1 13 13 PRO CA C 13 64.89 . . . . . . . . 13 PRO CA . 50679 1 51 . 1 . 1 13 13 PRO CB C 13 33.252 . . . . . . . . 13 PRO CB . 50679 1 52 . 1 . 1 14 14 LEU H H 1 7.814 . . . . . . . . 14 LEU H . 50679 1 53 . 1 . 1 14 14 LEU C C 13 174.541 . . . . . . . . 14 LEU C . 50679 1 54 . 1 . 1 14 14 LEU CA C 13 53.918 . . . . . . . . 14 LEU CA . 50679 1 55 . 1 . 1 14 14 LEU CB C 13 40.071 . . . . . . . . 14 LEU CB . 50679 1 56 . 1 . 1 14 14 LEU N N 15 109.787 . . . . . . . . 14 LEU N . 50679 1 57 . 1 . 1 15 15 PHE H H 1 7.083 . . . . . . . . 15 PHE H . 50679 1 58 . 1 . 1 15 15 PHE C C 13 176.638 . . . . . . . . 15 PHE C . 50679 1 59 . 1 . 1 15 15 PHE CA C 13 58.739 . . . . . . . . 15 PHE CA . 50679 1 60 . 1 . 1 15 15 PHE CB C 13 39.577 . . . . . . . . 15 PHE CB . 50679 1 61 . 1 . 1 15 15 PHE N N 15 113.712 . . . . . . . . 15 PHE N . 50679 1 62 . 1 . 1 16 16 GLU H H 1 9.017 . . . . . . . . 16 GLU H . 50679 1 63 . 1 . 1 16 16 GLU C C 13 180.336 . . . . . . . . 16 GLU C . 50679 1 64 . 1 . 1 16 16 GLU CA C 13 62.947 . . . . . . . . 16 GLU CA . 50679 1 65 . 1 . 1 16 16 GLU CB C 13 28.64 . . . . . . . . 16 GLU CB . 50679 1 66 . 1 . 1 16 16 GLU N N 15 125.985 . . . . . . . . 16 GLU N . 50679 1 67 . 1 . 1 17 17 LYS H H 1 7.742 . . . . . . . . 17 LYS H . 50679 1 68 . 1 . 1 17 17 LYS C C 13 176.682 . . . . . . . . 17 LYS C . 50679 1 69 . 1 . 1 17 17 LYS CA C 13 58.373 . . . . . . . . 17 LYS CA . 50679 1 70 . 1 . 1 17 17 LYS CB C 13 30.62 . . . . . . . . 17 LYS CB . 50679 1 71 . 1 . 1 17 17 LYS N N 15 113.763 . . . . . . . . 17 LYS N . 50679 1 72 . 1 . 1 18 18 LYS H H 1 7.194 . . . . . . . . 18 LYS H . 50679 1 73 . 1 . 1 18 18 LYS C C 13 174.761 . . . . . . . . 18 LYS C . 50679 1 74 . 1 . 1 18 18 LYS CA C 13 54.789 . . . . . . . . 18 LYS CA . 50679 1 75 . 1 . 1 18 18 LYS CB C 13 32.729 . . . . . . . . 18 LYS CB . 50679 1 76 . 1 . 1 18 18 LYS N N 15 116.94 . . . . . . . . 18 LYS N . 50679 1 77 . 1 . 1 19 19 SER H H 1 7.66 . . . . . . . . 19 SER H . 50679 1 78 . 1 . 1 19 19 SER C C 13 173.157 . . . . . . . . 19 SER C . 50679 1 79 . 1 . 1 19 19 SER CA C 13 58.802 . . . . . . . . 19 SER CA . 50679 1 80 . 1 . 1 19 19 SER CB C 13 60.874 . . . . . . . . 19 SER CB . 50679 1 81 . 1 . 1 19 19 SER N N 15 112.5 . . . . . . . . 19 SER N . 50679 1 82 . 1 . 1 20 20 LEU H H 1 7.843 . . . . . . . . 20 LEU H . 50679 1 83 . 1 . 1 20 20 LEU C C 13 176.423 . . . . . . . . 20 LEU C . 50679 1 84 . 1 . 1 20 20 LEU CA C 13 52.813 . . . . . . . . 20 LEU CA . 50679 1 85 . 1 . 1 20 20 LEU CB C 13 43.864 . . . . . . . . 20 LEU CB . 50679 1 86 . 1 . 1 20 20 LEU N N 15 120.507 . . . . . . . . 20 LEU N . 50679 1 87 . 1 . 1 21 21 GLU H H 1 8.418 . . . . . . . . 21 GLU H . 50679 1 88 . 1 . 1 21 21 GLU C C 13 177.467 . . . . . . . . 21 GLU C . 50679 1 89 . 1 . 1 21 21 GLU CA C 13 54.44 . . . . . . . . 21 GLU CA . 50679 1 90 . 1 . 1 21 21 GLU CB C 13 31.554 . . . . . . . . 21 GLU CB . 50679 1 91 . 1 . 1 21 21 GLU N N 15 121.993 . . . . . . . . 21 GLU N . 50679 1 92 . 1 . 1 22 22 ASP H H 1 9.716 . . . . . . . . 22 ASP H . 50679 1 93 . 1 . 1 22 22 ASP C C 13 176.936 . . . . . . . . 22 ASP C . 50679 1 94 . 1 . 1 22 22 ASP CA C 13 53.163 . . . . . . . . 22 ASP CA . 50679 1 95 . 1 . 1 22 22 ASP CB C 13 40.575 . . . . . . . . 22 ASP CB . 50679 1 96 . 1 . 1 22 22 ASP N N 15 125.546 . . . . . . . . 22 ASP N . 50679 1 97 . 1 . 1 23 23 LYS H H 1 9.989 . . . . . . . . 23 LYS H . 50679 1 98 . 1 . 1 23 23 LYS C C 13 178.663 . . . . . . . . 23 LYS C . 50679 1 99 . 1 . 1 23 23 LYS CA C 13 59.267 . . . . . . . . 23 LYS CA . 50679 1 100 . 1 . 1 23 23 LYS CB C 13 32.808 . . . . . . . . 23 LYS CB . 50679 1 101 . 1 . 1 23 23 LYS N N 15 117.687 . . . . . . . . 23 LYS N . 50679 1 102 . 1 . 1 24 24 THR H H 1 8.156 . . . . . . . . 24 THR H . 50679 1 103 . 1 . 1 24 24 THR C C 13 175.906 . . . . . . . . 24 THR C . 50679 1 104 . 1 . 1 24 24 THR CA C 13 60.798 . . . . . . . . 24 THR CA . 50679 1 105 . 1 . 1 24 24 THR CB C 13 70.09 . . . . . . . . 24 THR CB . 50679 1 106 . 1 . 1 24 24 THR N N 15 104.753 . . . . . . . . 24 THR N . 50679 1 107 . 1 . 1 25 25 GLU H H 1 8.072 . . . . . . . . 25 GLU H . 50679 1 108 . 1 . 1 25 25 GLU C C 13 178.072 . . . . . . . . 25 GLU C . 50679 1 109 . 1 . 1 25 25 GLU CA C 13 59.781 . . . . . . . . 25 GLU CA . 50679 1 110 . 1 . 1 25 25 GLU CB C 13 29.193 . . . . . . . . 25 GLU CB . 50679 1 111 . 1 . 1 25 25 GLU N N 15 123.621 . . . . . . . . 25 GLU N . 50679 1 112 . 1 . 1 26 26 ARG H H 1 8.911 . . . . . . . . 26 ARG H . 50679 1 113 . 1 . 1 26 26 ARG C C 13 177.527 . . . . . . . . 26 ARG C . 50679 1 114 . 1 . 1 26 26 ARG CA C 13 58.672 . . . . . . . . 26 ARG CA . 50679 1 115 . 1 . 1 26 26 ARG CB C 13 27.936 . . . . . . . . 26 ARG CB . 50679 1 116 . 1 . 1 26 26 ARG N N 15 122.634 . . . . . . . . 26 ARG N . 50679 1 117 . 1 . 1 27 27 GLU H H 1 7.569 . . . . . . . . 27 GLU H . 50679 1 118 . 1 . 1 27 27 GLU C C 13 179.905 . . . . . . . . 27 GLU C . 50679 1 119 . 1 . 1 27 27 GLU CA C 13 58.083 . . . . . . . . 27 GLU CA . 50679 1 120 . 1 . 1 27 27 GLU CB C 13 28.436 . . . . . . . . 27 GLU CB . 50679 1 121 . 1 . 1 27 27 GLU N N 15 118.943 . . . . . . . . 27 GLU N . 50679 1 122 . 1 . 1 28 28 LEU H H 1 7.077 . . . . . . . . 28 LEU H . 50679 1 123 . 1 . 1 28 28 LEU C C 13 178.544 . . . . . . . . 28 LEU C . 50679 1 124 . 1 . 1 28 28 LEU CA C 13 57.456 . . . . . . . . 28 LEU CA . 50679 1 125 . 1 . 1 28 28 LEU CB C 13 38.531 . . . . . . . . 28 LEU CB . 50679 1 126 . 1 . 1 28 28 LEU N N 15 117.942 . . . . . . . . 28 LEU N . 50679 1 127 . 1 . 1 29 29 LEU H H 1 7.184 . . . . . . . . 29 LEU H . 50679 1 128 . 1 . 1 29 29 LEU C C 13 180.225 . . . . . . . . 29 LEU C . 50679 1 129 . 1 . 1 29 29 LEU CA C 13 57.074 . . . . . . . . 29 LEU CA . 50679 1 130 . 1 . 1 29 29 LEU CB C 13 40.112 . . . . . . . . 29 LEU CB . 50679 1 131 . 1 . 1 29 29 LEU N N 15 120.334 . . . . . . . . 29 LEU N . 50679 1 132 . 1 . 1 30 30 GLU H H 1 8.367 . . . . . . . . 30 GLU H . 50679 1 133 . 1 . 1 30 30 GLU C C 13 177.816 . . . . . . . . 30 GLU C . 50679 1 134 . 1 . 1 30 30 GLU CA C 13 57.739 . . . . . . . . 30 GLU CA . 50679 1 135 . 1 . 1 30 30 GLU CB C 13 28.621 . . . . . . . . 30 GLU CB . 50679 1 136 . 1 . 1 30 30 GLU N N 15 116.97 . . . . . . . . 30 GLU N . 50679 1 137 . 1 . 1 31 31 SER H H 1 7.197 . . . . . . . . 31 SER H . 50679 1 138 . 1 . 1 31 31 SER C C 13 174.115 . . . . . . . . 31 SER C . 50679 1 139 . 1 . 1 31 31 SER CA C 13 59.693 . . . . . . . . 31 SER CA . 50679 1 140 . 1 . 1 31 31 SER CB C 13 63.025 . . . . . . . . 31 SER CB . 50679 1 141 . 1 . 1 31 31 SER N N 15 115.24 . . . . . . . . 31 SER N . 50679 1 142 . 1 . 1 32 32 TYR H H 1 6.579 . . . . . . . . 32 TYR H . 50679 1 143 . 1 . 1 32 32 TYR C C 13 176.306 . . . . . . . . 32 TYR C . 50679 1 144 . 1 . 1 32 32 TYR CA C 13 53.319 . . . . . . . . 32 TYR CA . 50679 1 145 . 1 . 1 32 32 TYR CB C 13 34.592 . . . . . . . . 32 TYR CB . 50679 1 146 . 1 . 1 32 32 TYR N N 15 121.508 . . . . . . . . 32 TYR N . 50679 1 147 . 1 . 1 33 33 ILE H H 1 7.148 . . . . . . . . 33 ILE H . 50679 1 148 . 1 . 1 33 33 ILE C C 13 176.221 . . . . . . . . 33 ILE C . 50679 1 149 . 1 . 1 33 33 ILE CA C 13 60.969 . . . . . . . . 33 ILE CA . 50679 1 150 . 1 . 1 33 33 ILE CB C 13 38.255 . . . . . . . . 33 ILE CB . 50679 1 151 . 1 . 1 33 33 ILE N N 15 119.25 . . . . . . . . 33 ILE N . 50679 1 152 . 1 . 1 34 34 ASP H H 1 8.288 . . . . . . . . 34 ASP H . 50679 1 153 . 1 . 1 34 34 ASP C C 13 176.834 . . . . . . . . 34 ASP C . 50679 1 154 . 1 . 1 34 34 ASP CA C 13 54.213 . . . . . . . . 34 ASP CA . 50679 1 155 . 1 . 1 34 34 ASP CB C 13 40.839 . . . . . . . . 34 ASP CB . 50679 1 156 . 1 . 1 34 34 ASP N N 15 124.409 . . . . . . . . 34 ASP N . 50679 1 157 . 1 . 1 35 35 GLY H H 1 8.348 . . . . . . . . 35 GLY H . 50679 1 158 . 1 . 1 35 35 GLY C C 13 173.745 . . . . . . . . 35 GLY C . 50679 1 159 . 1 . 1 35 35 GLY CA C 13 45.401 . . . . . . . . 35 GLY CA . 50679 1 160 . 1 . 1 35 35 GLY N N 15 110.739 . . . . . . . . 35 GLY N . 50679 1 161 . 1 . 1 36 36 ARG H H 1 7.767 . . . . . . . . 36 ARG H . 50679 1 162 . 1 . 1 36 36 ARG C C 13 181.285 . . . . . . . . 36 ARG C . 50679 1 163 . 1 . 1 36 36 ARG CA C 13 57.122 . . . . . . . . 36 ARG CA . 50679 1 164 . 1 . 1 36 36 ARG N N 15 126.129 . . . . . . . . 36 ARG N . 50679 1 165 . 1 . 1 38 38 VAL C C 13 175.489 . . . . . . . . 38 VAL C . 50679 1 166 . 1 . 1 38 38 VAL CA C 13 60.103 . . . . . . . . 38 VAL CA . 50679 1 167 . 1 . 1 38 38 VAL CB C 13 33.101 . . . . . . . . 38 VAL CB . 50679 1 168 . 1 . 1 39 39 GLU H H 1 9.261 . . . . . . . . 39 GLU H . 50679 1 169 . 1 . 1 39 39 GLU C C 13 175.009 . . . . . . . . 39 GLU C . 50679 1 170 . 1 . 1 39 39 GLU CA C 13 56.998 . . . . . . . . 39 GLU CA . 50679 1 171 . 1 . 1 39 39 GLU N N 15 120.805 . . . . . . . . 39 GLU N . 50679 1 172 . 1 . 1 40 40 GLY H H 1 7.873 . . . . . . . . 40 GLY H . 50679 1 173 . 1 . 1 40 40 GLY C C 13 172.888 . . . . . . . . 40 GLY C . 50679 1 174 . 1 . 1 40 40 GLY CA C 13 43.843 . . . . . . . . 40 GLY CA . 50679 1 175 . 1 . 1 40 40 GLY N N 15 106.449 . . . . . . . . 40 GLY N . 50679 1 176 . 1 . 1 41 41 SER H H 1 8.407 . . . . . . . . 41 SER H . 50679 1 177 . 1 . 1 41 41 SER C C 13 172.985 . . . . . . . . 41 SER C . 50679 1 178 . 1 . 1 41 41 SER CA C 13 56.143 . . . . . . . . 41 SER CA . 50679 1 179 . 1 . 1 41 41 SER CB C 13 65.836 . . . . . . . . 41 SER CB . 50679 1 180 . 1 . 1 41 41 SER N N 15 112.845 . . . . . . . . 41 SER N . 50679 1 181 . 1 . 1 42 42 ASP H H 1 8.368 . . . . . . . . 42 ASP H . 50679 1 182 . 1 . 1 42 42 ASP C C 13 176.957 . . . . . . . . 42 ASP C . 50679 1 183 . 1 . 1 42 42 ASP CA C 13 54.449 . . . . . . . . 42 ASP CA . 50679 1 184 . 1 . 1 42 42 ASP CB C 13 39.632 . . . . . . . . 42 ASP CB . 50679 1 185 . 1 . 1 42 42 ASP N N 15 120.794 . . . . . . . . 42 ASP N . 50679 1 186 . 1 . 1 43 43 ALA H H 1 8.914 . . . . . . . . 43 ALA H . 50679 1 187 . 1 . 1 43 43 ALA C C 13 177.617 . . . . . . . . 43 ALA C . 50679 1 188 . 1 . 1 43 43 ALA CA C 13 51.207 . . . . . . . . 43 ALA CA . 50679 1 189 . 1 . 1 43 43 ALA CB C 13 18.527 . . . . . . . . 43 ALA CB . 50679 1 190 . 1 . 1 43 43 ALA N N 15 125.975 . . . . . . . . 43 ALA N . 50679 1 191 . 1 . 1 44 44 GLU H H 1 7.308 . . . . . . . . 44 GLU H . 50679 1 192 . 1 . 1 44 44 GLU C C 13 176.792 . . . . . . . . 44 GLU C . 50679 1 193 . 1 . 1 44 44 GLU CA C 13 55.773 . . . . . . . . 44 GLU CA . 50679 1 194 . 1 . 1 44 44 GLU CB C 13 31.913 . . . . . . . . 44 GLU CB . 50679 1 195 . 1 . 1 44 44 GLU N N 15 121.473 . . . . . . . . 44 GLU N . 50679 1 196 . 1 . 1 45 45 ILE H H 1 8.578 . . . . . . . . 45 ILE H . 50679 1 197 . 1 . 1 45 45 ILE C C 13 177.542 . . . . . . . . 45 ILE C . 50679 1 198 . 1 . 1 45 45 ILE CA C 13 62.421 . . . . . . . . 45 ILE CA . 50679 1 199 . 1 . 1 45 45 ILE CB C 13 36.059 . . . . . . . . 45 ILE CB . 50679 1 200 . 1 . 1 45 45 ILE N N 15 124.905 . . . . . . . . 45 ILE N . 50679 1 201 . 1 . 1 46 46 GLY H H 1 9.012 . . . . . . . . 46 GLY H . 50679 1 202 . 1 . 1 46 46 GLY C C 13 175.441 . . . . . . . . 46 GLY C . 50679 1 203 . 1 . 1 46 46 GLY CA C 13 45.181 . . . . . . . . 46 GLY CA . 50679 1 204 . 1 . 1 46 46 GLY N N 15 113.305 . . . . . . . . 46 GLY N . 50679 1 205 . 1 . 1 47 47 MET H H 1 7.583 . . . . . . . . 47 MET H . 50679 1 206 . 1 . 1 47 47 MET C C 13 175.807 . . . . . . . . 47 MET C . 50679 1 207 . 1 . 1 47 47 MET CA C 13 56.375 . . . . . . . . 47 MET CA . 50679 1 208 . 1 . 1 47 47 MET N N 15 117.242 . . . . . . . . 47 MET N . 50679 1 209 . 1 . 1 48 48 SER H H 1 8.954 . . . . . . . . 48 SER H . 50679 1 210 . 1 . 1 48 48 SER N N 15 114.417 . . . . . . . . 48 SER N . 50679 1 211 . 1 . 1 49 49 PRO C C 13 174.415 . . . . . . . . 49 PRO C . 50679 1 212 . 1 . 1 49 49 PRO CA C 13 65.151 . . . . . . . . 49 PRO CA . 50679 1 213 . 1 . 1 49 49 PRO CB C 13 29.301 . . . . . . . . 49 PRO CB . 50679 1 214 . 1 . 1 50 50 TRP H H 1 5.894 . . . . . . . . 50 TRP H . 50679 1 215 . 1 . 1 50 50 TRP C C 13 177.258 . . . . . . . . 50 TRP C . 50679 1 216 . 1 . 1 50 50 TRP CA C 13 53.967 . . . . . . . . 50 TRP CA . 50679 1 217 . 1 . 1 50 50 TRP N N 15 118.465 . . . . . . . . 50 TRP N . 50679 1 218 . 1 . 1 57 57 LYS C C 13 177.063 . . . . . . . . 57 LYS C . 50679 1 219 . 1 . 1 57 57 LYS CA C 13 59.33 . . . . . . . . 57 LYS CA . 50679 1 220 . 1 . 1 57 57 LYS CB C 13 32.71 . . . . . . . . 57 LYS CB . 50679 1 221 . 1 . 1 58 58 SER H H 1 7.872 . . . . . . . . 58 SER H . 50679 1 222 . 1 . 1 58 58 SER C C 13 172.836 . . . . . . . . 58 SER C . 50679 1 223 . 1 . 1 58 58 SER CA C 13 54.588 . . . . . . . . 58 SER CA . 50679 1 224 . 1 . 1 58 58 SER N N 15 111.392 . . . . . . . . 58 SER N . 50679 1 225 . 1 . 1 63 63 LEU C C 13 177.666 . . . . . . . . 63 LEU C . 50679 1 226 . 1 . 1 63 63 LEU CA C 13 54.963 . . . . . . . . 63 LEU CA . 50679 1 227 . 1 . 1 63 63 LEU CB C 13 43.47 . . . . . . . . 63 LEU CB . 50679 1 228 . 1 . 1 64 64 CYS H H 1 7.723 . . . . . . . . 64 CYS H . 50679 1 229 . 1 . 1 64 64 CYS C C 13 174.03 . . . . . . . . 64 CYS C . 50679 1 230 . 1 . 1 64 64 CYS CA C 13 55.955 . . . . . . . . 64 CYS CA . 50679 1 231 . 1 . 1 64 64 CYS N N 15 117.032 . . . . . . . . 64 CYS N . 50679 1 232 . 1 . 1 65 65 GLY H H 1 9.026 . . . . . . . . 65 GLY H . 50679 1 233 . 1 . 1 65 65 GLY C C 13 170.555 . . . . . . . . 65 GLY C . 50679 1 234 . 1 . 1 65 65 GLY CA C 13 43.384 . . . . . . . . 65 GLY CA . 50679 1 235 . 1 . 1 65 65 GLY N N 15 106.468 . . . . . . . . 65 GLY N . 50679 1 236 . 1 . 1 66 66 ALA H H 1 7.875 . . . . . . . . 66 ALA H . 50679 1 237 . 1 . 1 66 66 ALA C C 13 175.432 . . . . . . . . 66 ALA C . 50679 1 238 . 1 . 1 66 66 ALA CA C 13 50.891 . . . . . . . . 66 ALA CA . 50679 1 239 . 1 . 1 66 66 ALA N N 15 115.964 . . . . . . . . 66 ALA N . 50679 1 240 . 1 . 1 67 67 SER H H 1 9.529 . . . . . . . . 67 SER H . 50679 1 241 . 1 . 1 67 67 SER C C 13 172.594 . . . . . . . . 67 SER C . 50679 1 242 . 1 . 1 67 67 SER CA C 13 55.795 . . . . . . . . 67 SER CA . 50679 1 243 . 1 . 1 67 67 SER CB C 13 65.654 . . . . . . . . 67 SER CB . 50679 1 244 . 1 . 1 67 67 SER N N 15 114.415 . . . . . . . . 67 SER N . 50679 1 245 . 1 . 1 68 68 LEU H H 1 9.449 . . . . . . . . 68 LEU H . 50679 1 246 . 1 . 1 68 68 LEU C C 13 175.722 . . . . . . . . 68 LEU C . 50679 1 247 . 1 . 1 68 68 LEU CA C 13 54.489 . . . . . . . . 68 LEU CA . 50679 1 248 . 1 . 1 68 68 LEU CB C 13 44.234 . . . . . . . . 68 LEU CB . 50679 1 249 . 1 . 1 68 68 LEU N N 15 126.397 . . . . . . . . 68 LEU N . 50679 1 250 . 1 . 1 69 69 ILE H H 1 8.179 . . . . . . . . 69 ILE H . 50679 1 251 . 1 . 1 69 69 ILE C C 13 175.227 . . . . . . . . 69 ILE C . 50679 1 252 . 1 . 1 69 69 ILE CA C 13 60.903 . . . . . . . . 69 ILE CA . 50679 1 253 . 1 . 1 69 69 ILE CB C 13 38.736 . . . . . . . . 69 ILE CB . 50679 1 254 . 1 . 1 69 69 ILE N N 15 117.905 . . . . . . . . 69 ILE N . 50679 1 255 . 1 . 1 70 70 SER H H 1 8.413 . . . . . . . . 70 SER H . 50679 1 256 . 1 . 1 70 70 SER C C 13 171.854 . . . . . . . . 70 SER C . 50679 1 257 . 1 . 1 70 70 SER CA C 13 57.238 . . . . . . . . 70 SER CA . 50679 1 258 . 1 . 1 70 70 SER CB C 13 63.491 . . . . . . . . 70 SER CB . 50679 1 259 . 1 . 1 70 70 SER N N 15 116.717 . . . . . . . . 70 SER N . 50679 1 260 . 1 . 1 71 71 ASP H H 1 8.877 . . . . . . . . 71 ASP H . 50679 1 261 . 1 . 1 71 71 ASP C C 13 176.1 . . . . . . . . 71 ASP C . 50679 1 262 . 1 . 1 71 71 ASP CA C 13 55.444 . . . . . . . . 71 ASP CA . 50679 1 263 . 1 . 1 71 71 ASP CB C 13 39.257 . . . . . . . . 71 ASP CB . 50679 1 264 . 1 . 1 71 71 ASP N N 15 116.058 . . . . . . . . 71 ASP N . 50679 1 265 . 1 . 1 72 72 ARG H H 1 7.844 . . . . . . . . 72 ARG H . 50679 1 266 . 1 . 1 72 72 ARG C C 13 173.648 . . . . . . . . 72 ARG C . 50679 1 267 . 1 . 1 72 72 ARG CA C 13 53.782 . . . . . . . . 72 ARG CA . 50679 1 268 . 1 . 1 72 72 ARG CB C 13 32.093 . . . . . . . . 72 ARG CB . 50679 1 269 . 1 . 1 72 72 ARG N N 15 114.121 . . . . . . . . 72 ARG N . 50679 1 270 . 1 . 1 73 73 TRP H H 1 7.154 . . . . . . . . 73 TRP H . 50679 1 271 . 1 . 1 73 73 TRP C C 13 174.402 . . . . . . . . 73 TRP C . 50679 1 272 . 1 . 1 73 73 TRP CA C 13 56.434 . . . . . . . . 73 TRP CA . 50679 1 273 . 1 . 1 73 73 TRP CB C 13 32.321 . . . . . . . . 73 TRP CB . 50679 1 274 . 1 . 1 73 73 TRP N N 15 118.819 . . . . . . . . 73 TRP N . 50679 1 275 . 1 . 1 74 74 VAL H H 1 9.116 . . . . . . . . 74 VAL H . 50679 1 276 . 1 . 1 74 74 VAL C C 13 173.913 . . . . . . . . 74 VAL C . 50679 1 277 . 1 . 1 74 74 VAL CA C 13 59.115 . . . . . . . . 74 VAL CA . 50679 1 278 . 1 . 1 74 74 VAL CB C 13 34.998 . . . . . . . . 74 VAL CB . 50679 1 279 . 1 . 1 74 74 VAL N N 15 121.805 . . . . . . . . 74 VAL N . 50679 1 280 . 1 . 1 75 75 LEU H H 1 9.584 . . . . . . . . 75 LEU H . 50679 1 281 . 1 . 1 75 75 LEU C C 13 176.432 . . . . . . . . 75 LEU C . 50679 1 282 . 1 . 1 75 75 LEU CA C 13 53.43 . . . . . . . . 75 LEU CA . 50679 1 283 . 1 . 1 75 75 LEU CB C 13 45.507 . . . . . . . . 75 LEU CB . 50679 1 284 . 1 . 1 75 75 LEU N N 15 129.864 . . . . . . . . 75 LEU N . 50679 1 285 . 1 . 1 76 76 THR H H 1 9.02 . . . . . . . . 76 THR H . 50679 1 286 . 1 . 1 76 76 THR C C 13 172.915 . . . . . . . . 76 THR C . 50679 1 287 . 1 . 1 76 76 THR CA C 13 59.812 . . . . . . . . 76 THR CA . 50679 1 288 . 1 . 1 76 76 THR CB C 13 69.68 . . . . . . . . 76 THR CB . 50679 1 289 . 1 . 1 76 76 THR N N 15 121.433 . . . . . . . . 76 THR N . 50679 1 290 . 1 . 1 77 77 ALA H H 1 8.111 . . . . . . . . 77 ALA H . 50679 1 291 . 1 . 1 77 77 ALA C C 13 177.709 . . . . . . . . 77 ALA C . 50679 1 292 . 1 . 1 77 77 ALA CA C 13 50.467 . . . . . . . . 77 ALA CA . 50679 1 293 . 1 . 1 77 77 ALA CB C 13 18.422 . . . . . . . . 77 ALA CB . 50679 1 294 . 1 . 1 77 77 ALA N N 15 122.779 . . . . . . . . 77 ALA N . 50679 1 295 . 1 . 1 78 78 ALA H H 1 6.57 . . . . . . . . 78 ALA H . 50679 1 296 . 1 . 1 78 78 ALA C C 13 180.644 . . . . . . . . 78 ALA C . 50679 1 297 . 1 . 1 78 78 ALA CA C 13 55.546 . . . . . . . . 78 ALA CA . 50679 1 298 . 1 . 1 78 78 ALA CB C 13 15.675 . . . . . . . . 78 ALA CB . 50679 1 299 . 1 . 1 78 78 ALA N N 15 127.768 . . . . . . . . 78 ALA N . 50679 1 300 . 1 . 1 79 79 HIS H H 1 10.452 . . . . . . . . 79 HIS H . 50679 1 301 . 1 . 1 79 79 HIS C C 13 175.415 . . . . . . . . 79 HIS C . 50679 1 302 . 1 . 1 79 79 HIS CA C 13 58.31 . . . . . . . . 79 HIS CA . 50679 1 303 . 1 . 1 79 79 HIS CB C 13 26.619 . . . . . . . . 79 HIS CB . 50679 1 304 . 1 . 1 79 79 HIS N N 15 117.721 . . . . . . . . 79 HIS N . 50679 1 305 . 1 . 1 80 80 CYS H H 1 6.659 . . . . . . . . 80 CYS H . 50679 1 306 . 1 . 1 80 80 CYS C C 13 173.476 . . . . . . . . 80 CYS C . 50679 1 307 . 1 . 1 80 80 CYS CA C 13 59.994 . . . . . . . . 80 CYS CA . 50679 1 308 . 1 . 1 80 80 CYS CB C 13 44.748 . . . . . . . . 80 CYS CB . 50679 1 309 . 1 . 1 80 80 CYS N N 15 115.901 . . . . . . . . 80 CYS N . 50679 1 310 . 1 . 1 81 81 LEU H H 1 7.413 . . . . . . . . 81 LEU H . 50679 1 311 . 1 . 1 81 81 LEU C C 13 175.001 . . . . . . . . 81 LEU C . 50679 1 312 . 1 . 1 81 81 LEU CA C 13 54.836 . . . . . . . . 81 LEU CA . 50679 1 313 . 1 . 1 81 81 LEU CB C 13 42.588 . . . . . . . . 81 LEU CB . 50679 1 314 . 1 . 1 81 81 LEU N N 15 116.465 . . . . . . . . 81 LEU N . 50679 1 315 . 1 . 1 82 82 LEU H H 1 8.104 . . . . . . . . 82 LEU H . 50679 1 316 . 1 . 1 82 82 LEU C C 13 174.41 . . . . . . . . 82 LEU C . 50679 1 317 . 1 . 1 82 82 LEU CA C 13 53.359 . . . . . . . . 82 LEU CA . 50679 1 318 . 1 . 1 82 82 LEU CB C 13 42.98 . . . . . . . . 82 LEU CB . 50679 1 319 . 1 . 1 82 82 LEU N N 15 120.283 . . . . . . . . 82 LEU N . 50679 1 320 . 1 . 1 83 83 TYR H H 1 9.252 . . . . . . . . 83 TYR H . 50679 1 321 . 1 . 1 83 83 TYR C C 13 171.55 . . . . . . . . 83 TYR C . 50679 1 322 . 1 . 1 83 83 TYR CA C 13 57.253 . . . . . . . . 83 TYR CA . 50679 1 323 . 1 . 1 83 83 TYR N N 15 125.467 . . . . . . . . 83 TYR N . 50679 1 324 . 1 . 1 85 85 PRO C C 13 176.866 . . . . . . . . 85 PRO C . 50679 1 325 . 1 . 1 85 85 PRO CA C 13 65.415 . . . . . . . . 85 PRO CA . 50679 1 326 . 1 . 1 85 85 PRO CB C 13 30.108 . . . . . . . . 85 PRO CB . 50679 1 327 . 1 . 1 86 86 TRP H H 1 7.066 . . . . . . . . 86 TRP H . 50679 1 328 . 1 . 1 86 86 TRP C C 13 174.997 . . . . . . . . 86 TRP C . 50679 1 329 . 1 . 1 86 86 TRP CA C 13 52.999 . . . . . . . . 86 TRP CA . 50679 1 330 . 1 . 1 86 86 TRP CB C 13 29.588 . . . . . . . . 86 TRP CB . 50679 1 331 . 1 . 1 86 86 TRP N N 15 113.92 . . . . . . . . 86 TRP N . 50679 1 332 . 1 . 1 87 87 ASP H H 1 8.492 . . . . . . . . 87 ASP H . 50679 1 333 . 1 . 1 87 87 ASP C C 13 174.114 . . . . . . . . 87 ASP C . 50679 1 334 . 1 . 1 87 87 ASP CA C 13 54.948 . . . . . . . . 87 ASP CA . 50679 1 335 . 1 . 1 87 87 ASP CB C 13 38.986 . . . . . . . . 87 ASP CB . 50679 1 336 . 1 . 1 87 87 ASP N N 15 118.854 . . . . . . . . 87 ASP N . 50679 1 337 . 1 . 1 88 88 LYS H H 1 6.737 . . . . . . . . 88 LYS H . 50679 1 338 . 1 . 1 88 88 LYS C C 13 175.487 . . . . . . . . 88 LYS C . 50679 1 339 . 1 . 1 88 88 LYS CA C 13 54.47 . . . . . . . . 88 LYS CA . 50679 1 340 . 1 . 1 88 88 LYS N N 15 116.714 . . . . . . . . 88 LYS N . 50679 1 341 . 1 . 1 89 89 ASN H H 1 8.156 . . . . . . . . 89 ASN H . 50679 1 342 . 1 . 1 89 89 ASN C C 13 173.499 . . . . . . . . 89 ASN C . 50679 1 343 . 1 . 1 89 89 ASN CA C 13 52.313 . . . . . . . . 89 ASN CA . 50679 1 344 . 1 . 1 89 89 ASN CB C 13 37.22 . . . . . . . . 89 ASN CB . 50679 1 345 . 1 . 1 89 89 ASN N N 15 128.464 . . . . . . . . 89 ASN N . 50679 1 346 . 1 . 1 90 90 PHE H H 1 8.436 . . . . . . . . 90 PHE H . 50679 1 347 . 1 . 1 90 90 PHE C C 13 175.745 . . . . . . . . 90 PHE C . 50679 1 348 . 1 . 1 90 90 PHE CA C 13 57.528 . . . . . . . . 90 PHE CA . 50679 1 349 . 1 . 1 90 90 PHE CB C 13 40.733 . . . . . . . . 90 PHE CB . 50679 1 350 . 1 . 1 90 90 PHE N N 15 122.002 . . . . . . . . 90 PHE N . 50679 1 351 . 1 . 1 91 91 THR H H 1 9.186 . . . . . . . . 91 THR H . 50679 1 352 . 1 . 1 91 91 THR C C 13 175.773 . . . . . . . . 91 THR C . 50679 1 353 . 1 . 1 91 91 THR CA C 13 59.511 . . . . . . . . 91 THR CA . 50679 1 354 . 1 . 1 91 91 THR CB C 13 71.773 . . . . . . . . 91 THR CB . 50679 1 355 . 1 . 1 91 91 THR N N 15 111.535 . . . . . . . . 91 THR N . 50679 1 356 . 1 . 1 92 92 GLU H H 1 10.045 . . . . . . . . 92 GLU H . 50679 1 357 . 1 . 1 92 92 GLU C C 13 177.093 . . . . . . . . 92 GLU C . 50679 1 358 . 1 . 1 92 92 GLU CA C 13 60.166 . . . . . . . . 92 GLU CA . 50679 1 359 . 1 . 1 92 92 GLU CB C 13 27.048 . . . . . . . . 92 GLU CB . 50679 1 360 . 1 . 1 92 92 GLU N N 15 118.849 . . . . . . . . 92 GLU N . 50679 1 361 . 1 . 1 93 93 ASN H H 1 8.027 . . . . . . . . 93 ASN H . 50679 1 362 . 1 . 1 93 93 ASN C C 13 175.777 . . . . . . . . 93 ASN C . 50679 1 363 . 1 . 1 93 93 ASN CA C 13 54.158 . . . . . . . . 93 ASN CA . 50679 1 364 . 1 . 1 93 93 ASN CB C 13 38.552 . . . . . . . . 93 ASN CB . 50679 1 365 . 1 . 1 93 93 ASN N N 15 115.369 . . . . . . . . 93 ASN N . 50679 1 366 . 1 . 1 94 94 ASP H H 1 7.825 . . . . . . . . 94 ASP H . 50679 1 367 . 1 . 1 94 94 ASP C C 13 176.164 . . . . . . . . 94 ASP C . 50679 1 368 . 1 . 1 94 94 ASP CA C 13 55.382 . . . . . . . . 94 ASP CA . 50679 1 369 . 1 . 1 94 94 ASP CB C 13 43.833 . . . . . . . . 94 ASP CB . 50679 1 370 . 1 . 1 94 94 ASP N N 15 116.375 . . . . . . . . 94 ASP N . 50679 1 371 . 1 . 1 95 95 LEU H H 1 6.727 . . . . . . . . 95 LEU H . 50679 1 372 . 1 . 1 95 95 LEU C C 13 174.172 . . . . . . . . 95 LEU C . 50679 1 373 . 1 . 1 95 95 LEU CA C 13 53.686 . . . . . . . . 95 LEU CA . 50679 1 374 . 1 . 1 95 95 LEU CB C 13 46.887 . . . . . . . . 95 LEU CB . 50679 1 375 . 1 . 1 95 95 LEU N N 15 118.597 . . . . . . . . 95 LEU N . 50679 1 376 . 1 . 1 96 96 LEU H H 1 8.888 . . . . . . . . 96 LEU H . 50679 1 377 . 1 . 1 96 96 LEU C C 13 175.23 . . . . . . . . 96 LEU C . 50679 1 378 . 1 . 1 96 96 LEU CA C 13 54.353 . . . . . . . . 96 LEU CA . 50679 1 379 . 1 . 1 96 96 LEU CB C 13 44.944 . . . . . . . . 96 LEU CB . 50679 1 380 . 1 . 1 96 96 LEU N N 15 117.272 . . . . . . . . 96 LEU N . 50679 1 381 . 1 . 1 97 97 VAL H H 1 8.492 . . . . . . . . 97 VAL H . 50679 1 382 . 1 . 1 97 97 VAL C C 13 174.761 . . . . . . . . 97 VAL C . 50679 1 383 . 1 . 1 97 97 VAL CA C 13 58.082 . . . . . . . . 97 VAL CA . 50679 1 384 . 1 . 1 97 97 VAL N N 15 112.484 . . . . . . . . 97 VAL N . 50679 1 385 . 1 . 1 113 113 LYS C C 13 175.06 . . . . . . . . 113 LYS C . 50679 1 386 . 1 . 1 113 113 LYS CA C 13 53.35 . . . . . . . . 113 LYS CA . 50679 1 387 . 1 . 1 113 113 LYS CB C 13 34.984 . . . . . . . . 113 LYS CB . 50679 1 388 . 1 . 1 114 114 ILE H H 1 8.467 . . . . . . . . 114 ILE H . 50679 1 389 . 1 . 1 114 114 ILE C C 13 176.174 . . . . . . . . 114 ILE C . 50679 1 390 . 1 . 1 114 114 ILE CA C 13 59.75 . . . . . . . . 114 ILE CA . 50679 1 391 . 1 . 1 114 114 ILE CB C 13 38.98 . . . . . . . . 114 ILE CB . 50679 1 392 . 1 . 1 114 114 ILE N N 15 123.873 . . . . . . . . 114 ILE N . 50679 1 393 . 1 . 1 115 115 SER H H 1 8.813 . . . . . . . . 115 SER H . 50679 1 394 . 1 . 1 115 115 SER C C 13 172.899 . . . . . . . . 115 SER C . 50679 1 395 . 1 . 1 115 115 SER CA C 13 57.678 . . . . . . . . 115 SER CA . 50679 1 396 . 1 . 1 115 115 SER CB C 13 65.068 . . . . . . . . 115 SER CB . 50679 1 397 . 1 . 1 115 115 SER N N 15 120.813 . . . . . . . . 115 SER N . 50679 1 398 . 1 . 1 116 116 MET H H 1 8.722 . . . . . . . . 116 MET H . 50679 1 399 . 1 . 1 116 116 MET C C 13 176.512 . . . . . . . . 116 MET C . 50679 1 400 . 1 . 1 116 116 MET CA C 13 53.493 . . . . . . . . 116 MET CA . 50679 1 401 . 1 . 1 116 116 MET CB C 13 32.836 . . . . . . . . 116 MET CB . 50679 1 402 . 1 . 1 116 116 MET N N 15 123.206 . . . . . . . . 116 MET N . 50679 1 403 . 1 . 1 117 117 LEU H H 1 9.438 . . . . . . . . 117 LEU H . 50679 1 404 . 1 . 1 117 117 LEU C C 13 175.173 . . . . . . . . 117 LEU C . 50679 1 405 . 1 . 1 117 117 LEU CA C 13 53.518 . . . . . . . . 117 LEU CA . 50679 1 406 . 1 . 1 117 117 LEU CB C 13 42.024 . . . . . . . . 117 LEU CB . 50679 1 407 . 1 . 1 117 117 LEU N N 15 122.017 . . . . . . . . 117 LEU N . 50679 1 408 . 1 . 1 118 118 GLU H H 1 9.216 . . . . . . . . 118 GLU H . 50679 1 409 . 1 . 1 118 118 GLU C C 13 175.09 . . . . . . . . 118 GLU C . 50679 1 410 . 1 . 1 118 118 GLU CA C 13 56.477 . . . . . . . . 118 GLU CA . 50679 1 411 . 1 . 1 118 118 GLU CB C 13 31.372 . . . . . . . . 118 GLU CB . 50679 1 412 . 1 . 1 118 118 GLU N N 15 122.311 . . . . . . . . 118 GLU N . 50679 1 413 . 1 . 1 119 119 LYS H H 1 7.049 . . . . . . . . 119 LYS H . 50679 1 414 . 1 . 1 119 119 LYS C C 13 173.833 . . . . . . . . 119 LYS C . 50679 1 415 . 1 . 1 119 119 LYS CA C 13 54.443 . . . . . . . . 119 LYS CA . 50679 1 416 . 1 . 1 119 119 LYS CB C 13 36.145 . . . . . . . . 119 LYS CB . 50679 1 417 . 1 . 1 119 119 LYS N N 15 114.329 . . . . . . . . 119 LYS N . 50679 1 418 . 1 . 1 120 120 ILE H H 1 8.07 . . . . . . . . 120 ILE H . 50679 1 419 . 1 . 1 120 120 ILE C C 13 173.896 . . . . . . . . 120 ILE C . 50679 1 420 . 1 . 1 120 120 ILE CA C 13 59.89 . . . . . . . . 120 ILE CA . 50679 1 421 . 1 . 1 120 120 ILE CB C 13 40.251 . . . . . . . . 120 ILE CB . 50679 1 422 . 1 . 1 120 120 ILE N N 15 121.787 . . . . . . . . 120 ILE N . 50679 1 423 . 1 . 1 121 121 TYR H H 1 9.398 . . . . . . . . 121 TYR H . 50679 1 424 . 1 . 1 121 121 TYR C C 13 174.426 . . . . . . . . 121 TYR C . 50679 1 425 . 1 . 1 121 121 TYR CA C 13 57.036 . . . . . . . . 121 TYR CA . 50679 1 426 . 1 . 1 121 121 TYR CB C 13 40.119 . . . . . . . . 121 TYR CB . 50679 1 427 . 1 . 1 121 121 TYR N N 15 124.407 . . . . . . . . 121 TYR N . 50679 1 428 . 1 . 1 122 122 ILE H H 1 8.954 . . . . . . . . 122 ILE H . 50679 1 429 . 1 . 1 122 122 ILE C C 13 176.036 . . . . . . . . 122 ILE C . 50679 1 430 . 1 . 1 122 122 ILE CA C 13 59.789 . . . . . . . . 122 ILE CA . 50679 1 431 . 1 . 1 122 122 ILE CB C 13 38.65 . . . . . . . . 122 ILE CB . 50679 1 432 . 1 . 1 122 122 ILE N N 15 125.487 . . . . . . . . 122 ILE N . 50679 1 433 . 1 . 1 123 123 HIS H H 1 6.844 . . . . . . . . 123 HIS H . 50679 1 434 . 1 . 1 123 123 HIS C C 13 175.664 . . . . . . . . 123 HIS C . 50679 1 435 . 1 . 1 123 123 HIS CA C 13 57.264 . . . . . . . . 123 HIS CA . 50679 1 436 . 1 . 1 123 123 HIS N N 15 129.973 . . . . . . . . 123 HIS N . 50679 1 437 . 1 . 1 124 124 PRO C C 13 178.478 . . . . . . . . 124 PRO C . 50679 1 438 . 1 . 1 124 124 PRO CA C 13 64.055 . . . . . . . . 124 PRO CA . 50679 1 439 . 1 . 1 124 124 PRO CB C 13 31.676 . . . . . . . . 124 PRO CB . 50679 1 440 . 1 . 1 125 125 ARG H H 1 11.134 . . . . . . . . 125 ARG H . 50679 1 441 . 1 . 1 125 125 ARG C C 13 176.116 . . . . . . . . 125 ARG C . 50679 1 442 . 1 . 1 125 125 ARG CA C 13 53.755 . . . . . . . . 125 ARG CA . 50679 1 443 . 1 . 1 125 125 ARG CB C 13 29.058 . . . . . . . . 125 ARG CB . 50679 1 444 . 1 . 1 125 125 ARG N N 15 121.057 . . . . . . . . 125 ARG N . 50679 1 445 . 1 . 1 126 126 TYR H H 1 7.594 . . . . . . . . 126 TYR H . 50679 1 446 . 1 . 1 126 126 TYR C C 13 175.197 . . . . . . . . 126 TYR C . 50679 1 447 . 1 . 1 126 126 TYR CA C 13 57.053 . . . . . . . . 126 TYR CA . 50679 1 448 . 1 . 1 126 126 TYR N N 15 124.428 . . . . . . . . 126 TYR N . 50679 1 449 . 1 . 1 127 127 ASN H H 1 8.845 . . . . . . . . 127 ASN H . 50679 1 450 . 1 . 1 127 127 ASN C C 13 173.722 . . . . . . . . 127 ASN C . 50679 1 451 . 1 . 1 127 127 ASN CA C 13 50.288 . . . . . . . . 127 ASN CA . 50679 1 452 . 1 . 1 127 127 ASN CB C 13 38.624 . . . . . . . . 127 ASN CB . 50679 1 453 . 1 . 1 127 127 ASN N N 15 131.423 . . . . . . . . 127 ASN N . 50679 1 454 . 1 . 1 128 128 TRP H H 1 6.381 . . . . . . . . 128 TRP H . 50679 1 455 . 1 . 1 128 128 TRP C C 13 176.303 . . . . . . . . 128 TRP C . 50679 1 456 . 1 . 1 128 128 TRP CA C 13 56.043 . . . . . . . . 128 TRP CA . 50679 1 457 . 1 . 1 128 128 TRP N N 15 119.577 . . . . . . . . 128 TRP N . 50679 1 458 . 1 . 1 129 129 ARG H H 1 6.783 . . . . . . . . 129 ARG H . 50679 1 459 . 1 . 1 129 129 ARG C C 13 176.788 . . . . . . . . 129 ARG C . 50679 1 460 . 1 . 1 129 129 ARG CA C 13 58.111 . . . . . . . . 129 ARG CA . 50679 1 461 . 1 . 1 129 129 ARG N N 15 121.479 . . . . . . . . 129 ARG N . 50679 1 462 . 1 . 1 132 132 LEU C C 13 176.169 . . . . . . . . 132 LEU C . 50679 1 463 . 1 . 1 132 132 LEU CB C 13 38.595 . . . . . . . . 132 LEU CB . 50679 1 464 . 1 . 1 133 133 ASP H H 1 7.331 . . . . . . . . 133 ASP H . 50679 1 465 . 1 . 1 133 133 ASP C C 13 176.183 . . . . . . . . 133 ASP C . 50679 1 466 . 1 . 1 133 133 ASP CA C 13 54.823 . . . . . . . . 133 ASP CA . 50679 1 467 . 1 . 1 133 133 ASP CB C 13 42.173 . . . . . . . . 133 ASP CB . 50679 1 468 . 1 . 1 133 133 ASP N N 15 117.633 . . . . . . . . 133 ASP N . 50679 1 469 . 1 . 1 134 134 ARG H H 1 8.42 . . . . . . . . 134 ARG H . 50679 1 470 . 1 . 1 134 134 ARG C C 13 173.828 . . . . . . . . 134 ARG C . 50679 1 471 . 1 . 1 134 134 ARG CA C 13 57.286 . . . . . . . . 134 ARG CA . 50679 1 472 . 1 . 1 134 134 ARG CB C 13 24.667 . . . . . . . . 134 ARG CB . 50679 1 473 . 1 . 1 134 134 ARG N N 15 119.646 . . . . . . . . 134 ARG N . 50679 1 474 . 1 . 1 135 135 ASP H H 1 7.046 . . . . . . . . 135 ASP H . 50679 1 475 . 1 . 1 135 135 ASP C C 13 175.068 . . . . . . . . 135 ASP C . 50679 1 476 . 1 . 1 135 135 ASP CA C 13 53.007 . . . . . . . . 135 ASP CA . 50679 1 477 . 1 . 1 135 135 ASP CB C 13 37.613 . . . . . . . . 135 ASP CB . 50679 1 478 . 1 . 1 135 135 ASP N N 15 114.596 . . . . . . . . 135 ASP N . 50679 1 479 . 1 . 1 136 136 ILE H H 1 8.12 . . . . . . . . 136 ILE H . 50679 1 480 . 1 . 1 136 136 ILE C C 13 169.745 . . . . . . . . 136 ILE C . 50679 1 481 . 1 . 1 136 136 ILE CA C 13 60.339 . . . . . . . . 136 ILE CA . 50679 1 482 . 1 . 1 136 136 ILE CB C 13 41.546 . . . . . . . . 136 ILE CB . 50679 1 483 . 1 . 1 136 136 ILE N N 15 125.878 . . . . . . . . 136 ILE N . 50679 1 484 . 1 . 1 137 137 ALA H H 1 8.383 . . . . . . . . 137 ALA H . 50679 1 485 . 1 . 1 137 137 ALA C C 13 174.664 . . . . . . . . 137 ALA C . 50679 1 486 . 1 . 1 137 137 ALA CA C 13 50.427 . . . . . . . . 137 ALA CA . 50679 1 487 . 1 . 1 137 137 ALA CB C 13 23.523 . . . . . . . . 137 ALA CB . 50679 1 488 . 1 . 1 137 137 ALA N N 15 127.431 . . . . . . . . 137 ALA N . 50679 1 489 . 1 . 1 138 138 LEU H H 1 9.433 . . . . . . . . 138 LEU H . 50679 1 490 . 1 . 1 138 138 LEU C C 13 176.313 . . . . . . . . 138 LEU C . 50679 1 491 . 1 . 1 138 138 LEU CA C 13 52.504 . . . . . . . . 138 LEU CA . 50679 1 492 . 1 . 1 138 138 LEU CB C 13 47.239 . . . . . . . . 138 LEU CB . 50679 1 493 . 1 . 1 138 138 LEU N N 15 120.762 . . . . . . . . 138 LEU N . 50679 1 494 . 1 . 1 139 139 MET H H 1 9.645 . . . . . . . . 139 MET H . 50679 1 495 . 1 . 1 139 139 MET C C 13 172.866 . . . . . . . . 139 MET C . 50679 1 496 . 1 . 1 139 139 MET CA C 13 53.733 . . . . . . . . 139 MET CA . 50679 1 497 . 1 . 1 139 139 MET CB C 13 34.937 . . . . . . . . 139 MET CB . 50679 1 498 . 1 . 1 139 139 MET N N 15 118.316 . . . . . . . . 139 MET N . 50679 1 499 . 1 . 1 140 140 LYS H H 1 8.676 . . . . . . . . 140 LYS H . 50679 1 500 . 1 . 1 140 140 LYS C C 13 176.573 . . . . . . . . 140 LYS C . 50679 1 501 . 1 . 1 140 140 LYS CA C 13 53.446 . . . . . . . . 140 LYS CA . 50679 1 502 . 1 . 1 140 140 LYS CB C 13 34.132 . . . . . . . . 140 LYS CB . 50679 1 503 . 1 . 1 140 140 LYS N N 15 126.277 . . . . . . . . 140 LYS N . 50679 1 504 . 1 . 1 141 141 LEU H H 1 8.745 . . . . . . . . 141 LEU H . 50679 1 505 . 1 . 1 141 141 LEU C C 13 177.081 . . . . . . . . 141 LEU C . 50679 1 506 . 1 . 1 141 141 LEU CA C 13 54.514 . . . . . . . . 141 LEU CA . 50679 1 507 . 1 . 1 141 141 LEU CB C 13 41.364 . . . . . . . . 141 LEU CB . 50679 1 508 . 1 . 1 141 141 LEU N N 15 127.92 . . . . . . . . 141 LEU N . 50679 1 509 . 1 . 1 142 142 LYS H H 1 8.056 . . . . . . . . 142 LYS H . 50679 1 510 . 1 . 1 142 142 LYS C C 13 175.583 . . . . . . . . 142 LYS C . 50679 1 511 . 1 . 1 142 142 LYS CA C 13 58.721 . . . . . . . . 142 LYS CA . 50679 1 512 . 1 . 1 142 142 LYS CB C 13 32.343 . . . . . . . . 142 LYS CB . 50679 1 513 . 1 . 1 142 142 LYS N N 15 120.814 . . . . . . . . 142 LYS N . 50679 1 514 . 1 . 1 143 143 LYS H H 1 7.348 . . . . . . . . 143 LYS H . 50679 1 515 . 1 . 1 143 143 LYS C C 13 172.7 . . . . . . . . 143 LYS C . 50679 1 516 . 1 . 1 143 143 LYS CA C 13 52.157 . . . . . . . . 143 LYS CA . 50679 1 517 . 1 . 1 143 143 LYS N N 15 115.377 . . . . . . . . 143 LYS N . 50679 1 518 . 1 . 1 144 144 PRO C C 13 176.661 . . . . . . . . 144 PRO C . 50679 1 519 . 1 . 1 144 144 PRO CA C 13 61.804 . . . . . . . . 144 PRO CA . 50679 1 520 . 1 . 1 144 144 PRO CB C 13 31.274 . . . . . . . . 144 PRO CB . 50679 1 521 . 1 . 1 145 145 VAL H H 1 8.773 . . . . . . . . 145 VAL H . 50679 1 522 . 1 . 1 145 145 VAL C C 13 173.774 . . . . . . . . 145 VAL C . 50679 1 523 . 1 . 1 145 145 VAL CA C 13 59.256 . . . . . . . . 145 VAL CA . 50679 1 524 . 1 . 1 145 145 VAL CB C 13 32.947 . . . . . . . . 145 VAL CB . 50679 1 525 . 1 . 1 145 145 VAL N N 15 122.013 . . . . . . . . 145 VAL N . 50679 1 526 . 1 . 1 146 146 ALA H H 1 7.933 . . . . . . . . 146 ALA H . 50679 1 527 . 1 . 1 146 146 ALA C C 13 177.412 . . . . . . . . 146 ALA C . 50679 1 528 . 1 . 1 146 146 ALA CA C 13 50.592 . . . . . . . . 146 ALA CA . 50679 1 529 . 1 . 1 146 146 ALA CB C 13 18.354 . . . . . . . . 146 ALA CB . 50679 1 530 . 1 . 1 146 146 ALA N N 15 127.4 . . . . . . . . 146 ALA N . 50679 1 531 . 1 . 1 147 147 PHE H H 1 7.901 . . . . . . . . 147 PHE H . 50679 1 532 . 1 . 1 147 147 PHE C C 13 176.143 . . . . . . . . 147 PHE C . 50679 1 533 . 1 . 1 147 147 PHE CA C 13 54.188 . . . . . . . . 147 PHE CA . 50679 1 534 . 1 . 1 147 147 PHE CB C 13 37.106 . . . . . . . . 147 PHE CB . 50679 1 535 . 1 . 1 147 147 PHE N N 15 122.326 . . . . . . . . 147 PHE N . 50679 1 536 . 1 . 1 148 148 SER H H 1 9.806 . . . . . . . . 148 SER H . 50679 1 537 . 1 . 1 148 148 SER C C 13 175.006 . . . . . . . . 148 SER C . 50679 1 538 . 1 . 1 148 148 SER CA C 13 56.843 . . . . . . . . 148 SER CA . 50679 1 539 . 1 . 1 148 148 SER CB C 13 66.557 . . . . . . . . 148 SER CB . 50679 1 540 . 1 . 1 148 148 SER N N 15 118.768 . . . . . . . . 148 SER N . 50679 1 541 . 1 . 1 149 149 ASP H H 1 8.65 . . . . . . . . 149 ASP H . 50679 1 542 . 1 . 1 149 149 ASP C C 13 174.07 . . . . . . . . 149 ASP C . 50679 1 543 . 1 . 1 149 149 ASP CA C 13 56.255 . . . . . . . . 149 ASP CA . 50679 1 544 . 1 . 1 149 149 ASP CB C 13 39.061 . . . . . . . . 149 ASP CB . 50679 1 545 . 1 . 1 149 149 ASP N N 15 119.118 . . . . . . . . 149 ASP N . 50679 1 546 . 1 . 1 150 150 TYR H H 1 7.768 . . . . . . . . 150 TYR H . 50679 1 547 . 1 . 1 150 150 TYR C C 13 174.52 . . . . . . . . 150 TYR C . 50679 1 548 . 1 . 1 150 150 TYR CA C 13 55.914 . . . . . . . . 150 TYR CA . 50679 1 549 . 1 . 1 150 150 TYR CB C 13 40.242 . . . . . . . . 150 TYR CB . 50679 1 550 . 1 . 1 150 150 TYR N N 15 113.171 . . . . . . . . 150 TYR N . 50679 1 551 . 1 . 1 151 151 ILE H H 1 6.97 . . . . . . . . 151 ILE H . 50679 1 552 . 1 . 1 151 151 ILE C C 13 173.767 . . . . . . . . 151 ILE C . 50679 1 553 . 1 . 1 151 151 ILE CA C 13 60.809 . . . . . . . . 151 ILE CA . 50679 1 554 . 1 . 1 151 151 ILE CB C 13 40.01 . . . . . . . . 151 ILE CB . 50679 1 555 . 1 . 1 151 151 ILE N N 15 119.06 . . . . . . . . 151 ILE N . 50679 1 556 . 1 . 1 152 152 HIS H H 1 7.518 . . . . . . . . 152 HIS H . 50679 1 557 . 1 . 1 152 152 HIS C C 13 172.534 . . . . . . . . 152 HIS C . 50679 1 558 . 1 . 1 152 152 HIS CA C 13 54.607 . . . . . . . . 152 HIS CA . 50679 1 559 . 1 . 1 152 152 HIS N N 15 126.172 . . . . . . . . 152 HIS N . 50679 1 560 . 1 . 1 153 153 PRO C C 13 176.109 . . . . . . . . 153 PRO C . 50679 1 561 . 1 . 1 153 153 PRO CA C 13 62.367 . . . . . . . . 153 PRO CA . 50679 1 562 . 1 . 1 153 153 PRO CB C 13 31.657 . . . . . . . . 153 PRO CB . 50679 1 563 . 1 . 1 154 154 VAL H H 1 8.048 . . . . . . . . 154 VAL H . 50679 1 564 . 1 . 1 154 154 VAL C C 13 173.152 . . . . . . . . 154 VAL C . 50679 1 565 . 1 . 1 154 154 VAL CA C 13 59.722 . . . . . . . . 154 VAL CA . 50679 1 566 . 1 . 1 154 154 VAL CB C 13 32.382 . . . . . . . . 154 VAL CB . 50679 1 567 . 1 . 1 154 154 VAL N N 15 122.875 . . . . . . . . 154 VAL N . 50679 1 568 . 1 . 1 155 155 CYS H H 1 6.761 . . . . . . . . 155 CYS H . 50679 1 569 . 1 . 1 155 155 CYS C C 13 174.888 . . . . . . . . 155 CYS C . 50679 1 570 . 1 . 1 155 155 CYS CA C 13 53.497 . . . . . . . . 155 CYS CA . 50679 1 571 . 1 . 1 155 155 CYS CB C 13 41.191 . . . . . . . . 155 CYS CB . 50679 1 572 . 1 . 1 155 155 CYS N N 15 119.903 . . . . . . . . 155 CYS N . 50679 1 573 . 1 . 1 156 156 LEU H H 1 9.223 . . . . . . . . 156 LEU H . 50679 1 574 . 1 . 1 156 156 LEU C C 13 175.466 . . . . . . . . 156 LEU C . 50679 1 575 . 1 . 1 156 156 LEU CA C 13 51.306 . . . . . . . . 156 LEU CA . 50679 1 576 . 1 . 1 156 156 LEU N N 15 121.882 . . . . . . . . 156 LEU N . 50679 1 577 . 1 . 1 157 157 PRO C C 13 175.183 . . . . . . . . 157 PRO C . 50679 1 578 . 1 . 1 157 157 PRO CA C 13 63.015 . . . . . . . . 157 PRO CA . 50679 1 579 . 1 . 1 157 157 PRO CB C 13 31.435 . . . . . . . . 157 PRO CB . 50679 1 580 . 1 . 1 158 158 ASP H H 1 7.031 . . . . . . . . 158 ASP H . 50679 1 581 . 1 . 1 158 158 ASP C C 13 175.075 . . . . . . . . 158 ASP C . 50679 1 582 . 1 . 1 158 158 ASP CA C 13 51.216 . . . . . . . . 158 ASP CA . 50679 1 583 . 1 . 1 158 158 ASP CB C 13 42.019 . . . . . . . . 158 ASP CB . 50679 1 584 . 1 . 1 158 158 ASP N N 15 117.989 . . . . . . . . 158 ASP N . 50679 1 585 . 1 . 1 159 159 ARG H H 1 8.548 . . . . . . . . 159 ARG H . 50679 1 586 . 1 . 1 159 159 ARG C C 13 178.292 . . . . . . . . 159 ARG C . 50679 1 587 . 1 . 1 159 159 ARG CA C 13 59.322 . . . . . . . . 159 ARG CA . 50679 1 588 . 1 . 1 159 159 ARG CB C 13 29.273 . . . . . . . . 159 ARG CB . 50679 1 589 . 1 . 1 159 159 ARG N N 15 120.709 . . . . . . . . 159 ARG N . 50679 1 590 . 1 . 1 160 160 GLU H H 1 8.421 . . . . . . . . 160 GLU H . 50679 1 591 . 1 . 1 160 160 GLU C C 13 179.254 . . . . . . . . 160 GLU C . 50679 1 592 . 1 . 1 160 160 GLU CA C 13 59.025 . . . . . . . . 160 GLU CA . 50679 1 593 . 1 . 1 160 160 GLU CB C 13 28.15 . . . . . . . . 160 GLU CB . 50679 1 594 . 1 . 1 160 160 GLU N N 15 119.235 . . . . . . . . 160 GLU N . 50679 1 595 . 1 . 1 161 161 THR H H 1 7.88 . . . . . . . . 161 THR H . 50679 1 596 . 1 . 1 161 161 THR C C 13 175.854 . . . . . . . . 161 THR C . 50679 1 597 . 1 . 1 161 161 THR CA C 13 66.69 . . . . . . . . 161 THR CA . 50679 1 598 . 1 . 1 161 161 THR N N 15 119.243 . . . . . . . . 161 THR N . 50679 1 599 . 1 . 1 162 162 ALA H H 1 7.774 . . . . . . . . 162 ALA H . 50679 1 600 . 1 . 1 162 162 ALA C C 13 178.64 . . . . . . . . 162 ALA C . 50679 1 601 . 1 . 1 162 162 ALA CA C 13 54.894 . . . . . . . . 162 ALA CA . 50679 1 602 . 1 . 1 162 162 ALA CB C 13 16.843 . . . . . . . . 162 ALA CB . 50679 1 603 . 1 . 1 162 162 ALA N N 15 121.649 . . . . . . . . 162 ALA N . 50679 1 604 . 1 . 1 163 163 ALA H H 1 7.799 . . . . . . . . 163 ALA H . 50679 1 605 . 1 . 1 163 163 ALA C C 13 179.985 . . . . . . . . 163 ALA C . 50679 1 606 . 1 . 1 163 163 ALA CA C 13 53.961 . . . . . . . . 163 ALA CA . 50679 1 607 . 1 . 1 163 163 ALA CB C 13 17.483 . . . . . . . . 163 ALA CB . 50679 1 608 . 1 . 1 163 163 ALA N N 15 118.704 . . . . . . . . 163 ALA N . 50679 1 609 . 1 . 1 164 164 SER H H 1 7.587 . . . . . . . . 164 SER H . 50679 1 610 . 1 . 1 164 164 SER C C 13 175.522 . . . . . . . . 164 SER C . 50679 1 611 . 1 . 1 164 164 SER CA C 13 60.811 . . . . . . . . 164 SER CA . 50679 1 612 . 1 . 1 164 164 SER CB C 13 63.853 . . . . . . . . 164 SER CB . 50679 1 613 . 1 . 1 164 164 SER N N 15 110.916 . . . . . . . . 164 SER N . 50679 1 614 . 1 . 1 165 165 LEU H H 1 7.583 . . . . . . . . 165 LEU H . 50679 1 615 . 1 . 1 165 165 LEU C C 13 176.423 . . . . . . . . 165 LEU C . 50679 1 616 . 1 . 1 165 165 LEU CA C 13 55.098 . . . . . . . . 165 LEU CA . 50679 1 617 . 1 . 1 165 165 LEU CB C 13 41.296 . . . . . . . . 165 LEU CB . 50679 1 618 . 1 . 1 165 165 LEU N N 15 116.292 . . . . . . . . 165 LEU N . 50679 1 619 . 1 . 1 166 166 LEU H H 1 7.139 . . . . . . . . 166 LEU H . 50679 1 620 . 1 . 1 166 166 LEU C C 13 175.699 . . . . . . . . 166 LEU C . 50679 1 621 . 1 . 1 166 166 LEU CA C 13 52.764 . . . . . . . . 166 LEU CA . 50679 1 622 . 1 . 1 166 166 LEU CB C 13 37.991 . . . . . . . . 166 LEU CB . 50679 1 623 . 1 . 1 166 166 LEU N N 15 118.726 . . . . . . . . 166 LEU N . 50679 1 624 . 1 . 1 167 167 GLN H H 1 7.271 . . . . . . . . 167 GLN H . 50679 1 625 . 1 . 1 167 167 GLN C C 13 174.029 . . . . . . . . 167 GLN C . 50679 1 626 . 1 . 1 167 167 GLN CA C 13 52.741 . . . . . . . . 167 GLN CA . 50679 1 627 . 1 . 1 167 167 GLN CB C 13 30.185 . . . . . . . . 167 GLN CB . 50679 1 628 . 1 . 1 167 167 GLN N N 15 122.967 . . . . . . . . 167 GLN N . 50679 1 629 . 1 . 1 168 168 ALA H H 1 8.215 . . . . . . . . 168 ALA H . 50679 1 630 . 1 . 1 168 168 ALA C C 13 177.95 . . . . . . . . 168 ALA C . 50679 1 631 . 1 . 1 168 168 ALA CA C 13 52.994 . . . . . . . . 168 ALA CA . 50679 1 632 . 1 . 1 168 168 ALA CB C 13 17.363 . . . . . . . . 168 ALA CB . 50679 1 633 . 1 . 1 168 168 ALA N N 15 123.236 . . . . . . . . 168 ALA N . 50679 1 634 . 1 . 1 169 169 GLY H H 1 9.003 . . . . . . . . 169 GLY H . 50679 1 635 . 1 . 1 169 169 GLY C C 13 174.182 . . . . . . . . 169 GLY C . 50679 1 636 . 1 . 1 169 169 GLY CA C 13 44.798 . . . . . . . . 169 GLY CA . 50679 1 637 . 1 . 1 169 169 GLY N N 15 111.357 . . . . . . . . 169 GLY N . 50679 1 638 . 1 . 1 170 170 TYR H H 1 8.091 . . . . . . . . 170 TYR H . 50679 1 639 . 1 . 1 170 170 TYR C C 13 176.274 . . . . . . . . 170 TYR C . 50679 1 640 . 1 . 1 170 170 TYR CA C 13 55.877 . . . . . . . . 170 TYR CA . 50679 1 641 . 1 . 1 170 170 TYR CB C 13 36.043 . . . . . . . . 170 TYR CB . 50679 1 642 . 1 . 1 170 170 TYR N N 15 124.118 . . . . . . . . 170 TYR N . 50679 1 643 . 1 . 1 171 171 LYS H H 1 8.956 . . . . . . . . 171 LYS H . 50679 1 644 . 1 . 1 171 171 LYS C C 13 175.41 . . . . . . . . 171 LYS C . 50679 1 645 . 1 . 1 171 171 LYS CA C 13 55.625 . . . . . . . . 171 LYS CA . 50679 1 646 . 1 . 1 171 171 LYS N N 15 119.792 . . . . . . . . 171 LYS N . 50679 1 647 . 1 . 1 172 172 GLY H H 1 8.444 . . . . . . . . 172 GLY H . 50679 1 648 . 1 . 1 172 172 GLY C C 13 170.704 . . . . . . . . 172 GLY C . 50679 1 649 . 1 . 1 172 172 GLY CA C 13 43.554 . . . . . . . . 172 GLY CA . 50679 1 650 . 1 . 1 172 172 GLY N N 15 107.598 . . . . . . . . 172 GLY N . 50679 1 651 . 1 . 1 173 173 ARG H H 1 8.617 . . . . . . . . 173 ARG H . 50679 1 652 . 1 . 1 173 173 ARG C C 13 174.657 . . . . . . . . 173 ARG C . 50679 1 653 . 1 . 1 173 173 ARG CA C 13 54.084 . . . . . . . . 173 ARG CA . 50679 1 654 . 1 . 1 173 173 ARG N N 15 120.073 . . . . . . . . 173 ARG N . 50679 1 655 . 1 . 1 174 174 VAL H H 1 9.311 . . . . . . . . 174 VAL H . 50679 1 656 . 1 . 1 174 174 VAL C C 13 173.768 . . . . . . . . 174 VAL C . 50679 1 657 . 1 . 1 174 174 VAL N N 15 129.157 . . . . . . . . 174 VAL N . 50679 1 658 . 1 . 1 186 186 ALA C C 13 177.629 . . . . . . . . 186 ALA C . 50679 1 659 . 1 . 1 186 186 ALA CA C 13 52.738 . . . . . . . . 186 ALA CA . 50679 1 660 . 1 . 1 187 187 ASN H H 1 8.259 . . . . . . . . 187 ASN H . 50679 1 661 . 1 . 1 187 187 ASN C C 13 175.104 . . . . . . . . 187 ASN C . 50679 1 662 . 1 . 1 187 187 ASN CA C 13 53.759 . . . . . . . . 187 ASN CA . 50679 1 663 . 1 . 1 187 187 ASN CB C 13 38.078 . . . . . . . . 187 ASN CB . 50679 1 664 . 1 . 1 187 187 ASN N N 15 116.03 . . . . . . . . 187 ASN N . 50679 1 665 . 1 . 1 188 188 VAL H H 1 7.719 . . . . . . . . 188 VAL H . 50679 1 666 . 1 . 1 188 188 VAL C C 13 176.67 . . . . . . . . 188 VAL C . 50679 1 667 . 1 . 1 188 188 VAL CA C 13 62.142 . . . . . . . . 188 VAL CA . 50679 1 668 . 1 . 1 188 188 VAL CB C 13 32.308 . . . . . . . . 188 VAL CB . 50679 1 669 . 1 . 1 188 188 VAL N N 15 119.085 . . . . . . . . 188 VAL N . 50679 1 670 . 1 . 1 189 189 GLY H H 1 8.341 . . . . . . . . 189 GLY H . 50679 1 671 . 1 . 1 189 189 GLY C C 13 173.757 . . . . . . . . 189 GLY C . 50679 1 672 . 1 . 1 189 189 GLY CA C 13 44.771 . . . . . . . . 189 GLY CA . 50679 1 673 . 1 . 1 189 189 GLY N N 15 112.163 . . . . . . . . 189 GLY N . 50679 1 674 . 1 . 1 190 190 LYS H H 1 7.963 . . . . . . . . 190 LYS H . 50679 1 675 . 1 . 1 190 190 LYS C C 13 176.186 . . . . . . . . 190 LYS C . 50679 1 676 . 1 . 1 190 190 LYS CA C 13 55.375 . . . . . . . . 190 LYS CA . 50679 1 677 . 1 . 1 190 190 LYS N N 15 119.865 . . . . . . . . 190 LYS N . 50679 1 678 . 1 . 1 191 191 GLY H H 1 7.914 . . . . . . . . 191 GLY H . 50679 1 679 . 1 . 1 191 191 GLY C C 13 173.002 . . . . . . . . 191 GLY C . 50679 1 680 . 1 . 1 191 191 GLY N N 15 108.733 . . . . . . . . 191 GLY N . 50679 1 681 . 1 . 1 197 197 GLN C C 13 175.478 . . . . . . . . 197 GLN C . 50679 1 682 . 1 . 1 197 197 GLN CA C 13 52.333 . . . . . . . . 197 GLN CA . 50679 1 683 . 1 . 1 197 197 GLN CB C 13 33.386 . . . . . . . . 197 GLN CB . 50679 1 684 . 1 . 1 198 198 VAL H H 1 8.892 . . . . . . . . 198 VAL H . 50679 1 685 . 1 . 1 198 198 VAL CA C 13 58.584 . . . . . . . . 198 VAL CA . 50679 1 686 . 1 . 1 198 198 VAL N N 15 118.563 . . . . . . . . 198 VAL N . 50679 1 687 . 1 . 1 199 199 VAL H H 1 8.791 . . . . . . . . 199 VAL H . 50679 1 688 . 1 . 1 199 199 VAL C C 13 170.624 . . . . . . . . 199 VAL C . 50679 1 689 . 1 . 1 199 199 VAL CA C 13 60.624 . . . . . . . . 199 VAL CA . 50679 1 690 . 1 . 1 199 199 VAL N N 15 126.147 . . . . . . . . 199 VAL N . 50679 1 691 . 1 . 1 200 200 ASN H H 1 8.546 . . . . . . . . 200 ASN H . 50679 1 692 . 1 . 1 200 200 ASN C C 13 175.308 . . . . . . . . 200 ASN C . 50679 1 693 . 1 . 1 200 200 ASN CA C 13 50.998 . . . . . . . . 200 ASN CA . 50679 1 694 . 1 . 1 200 200 ASN CB C 13 39.222 . . . . . . . . 200 ASN CB . 50679 1 695 . 1 . 1 200 200 ASN N N 15 126.159 . . . . . . . . 200 ASN N . 50679 1 696 . 1 . 1 201 201 LEU H H 1 8.966 . . . . . . . . 201 LEU H . 50679 1 697 . 1 . 1 201 201 LEU C C 13 173.776 . . . . . . . . 201 LEU C . 50679 1 698 . 1 . 1 201 201 LEU CA C 13 50.999 . . . . . . . . 201 LEU CA . 50679 1 699 . 1 . 1 201 201 LEU N N 15 121.895 . . . . . . . . 201 LEU N . 50679 1 700 . 1 . 1 202 202 PRO C C 13 175.829 . . . . . . . . 202 PRO C . 50679 1 701 . 1 . 1 202 202 PRO CA C 13 60.819 . . . . . . . . 202 PRO CA . 50679 1 702 . 1 . 1 202 202 PRO CB C 13 30.887 . . . . . . . . 202 PRO CB . 50679 1 703 . 1 . 1 203 203 ILE H H 1 8.645 . . . . . . . . 203 ILE H . 50679 1 704 . 1 . 1 203 203 ILE C C 13 176.765 . . . . . . . . 203 ILE C . 50679 1 705 . 1 . 1 203 203 ILE CA C 13 62.238 . . . . . . . . 203 ILE CA . 50679 1 706 . 1 . 1 203 203 ILE CB C 13 36.62 . . . . . . . . 203 ILE CB . 50679 1 707 . 1 . 1 203 203 ILE N N 15 122.525 . . . . . . . . 203 ILE N . 50679 1 708 . 1 . 1 204 204 VAL H H 1 8.015 . . . . . . . . 204 VAL H . 50679 1 709 . 1 . 1 204 204 VAL C C 13 174.247 . . . . . . . . 204 VAL C . 50679 1 710 . 1 . 1 204 204 VAL CA C 13 61.647 . . . . . . . . 204 VAL CA . 50679 1 711 . 1 . 1 204 204 VAL CB C 13 32.97 . . . . . . . . 204 VAL CB . 50679 1 712 . 1 . 1 204 204 VAL N N 15 133.978 . . . . . . . . 204 VAL N . 50679 1 713 . 1 . 1 205 205 GLU H H 1 9.531 . . . . . . . . 205 GLU H . 50679 1 714 . 1 . 1 205 205 GLU C C 13 177.43 . . . . . . . . 205 GLU C . 50679 1 715 . 1 . 1 205 205 GLU CA C 13 56.967 . . . . . . . . 205 GLU CA . 50679 1 716 . 1 . 1 205 205 GLU CB C 13 29.177 . . . . . . . . 205 GLU CB . 50679 1 717 . 1 . 1 205 205 GLU N N 15 126.394 . . . . . . . . 205 GLU N . 50679 1 718 . 1 . 1 206 206 ARG H H 1 8.876 . . . . . . . . 206 ARG H . 50679 1 719 . 1 . 1 206 206 ARG C C 13 175.071 . . . . . . . . 206 ARG C . 50679 1 720 . 1 . 1 206 206 ARG CA C 13 61.675 . . . . . . . . 206 ARG CA . 50679 1 721 . 1 . 1 206 206 ARG N N 15 124.592 . . . . . . . . 206 ARG N . 50679 1 722 . 1 . 1 207 207 PRO C C 13 178.79 . . . . . . . . 207 PRO C . 50679 1 723 . 1 . 1 207 207 PRO CA C 13 65.733 . . . . . . . . 207 PRO CA . 50679 1 724 . 1 . 1 207 207 PRO CB C 13 30.622 . . . . . . . . 207 PRO CB . 50679 1 725 . 1 . 1 208 208 VAL H H 1 6.692 . . . . . . . . 208 VAL H . 50679 1 726 . 1 . 1 208 208 VAL C C 13 179.424 . . . . . . . . 208 VAL C . 50679 1 727 . 1 . 1 208 208 VAL CA C 13 64.902 . . . . . . . . 208 VAL CA . 50679 1 728 . 1 . 1 208 208 VAL CB C 13 30.281 . . . . . . . . 208 VAL CB . 50679 1 729 . 1 . 1 208 208 VAL N N 15 117.471 . . . . . . . . 208 VAL N . 50679 1 730 . 1 . 1 209 209 CYS H H 1 7.676 . . . . . . . . 209 CYS H . 50679 1 731 . 1 . 1 209 209 CYS C C 13 178.779 . . . . . . . . 209 CYS C . 50679 1 732 . 1 . 1 209 209 CYS CA C 13 56.8 . . . . . . . . 209 CYS CA . 50679 1 733 . 1 . 1 209 209 CYS CB C 13 37.983 . . . . . . . . 209 CYS CB . 50679 1 734 . 1 . 1 209 209 CYS N N 15 118.694 . . . . . . . . 209 CYS N . 50679 1 735 . 1 . 1 210 210 LYS H H 1 8.624 . . . . . . . . 210 LYS H . 50679 1 736 . 1 . 1 210 210 LYS C C 13 177.849 . . . . . . . . 210 LYS C . 50679 1 737 . 1 . 1 210 210 LYS CA C 13 59.311 . . . . . . . . 210 LYS CA . 50679 1 738 . 1 . 1 210 210 LYS CB C 13 31.827 . . . . . . . . 210 LYS CB . 50679 1 739 . 1 . 1 210 210 LYS N N 15 121.239 . . . . . . . . 210 LYS N . 50679 1 740 . 1 . 1 211 211 ASP H H 1 7.747 . . . . . . . . 211 ASP H . 50679 1 741 . 1 . 1 211 211 ASP C C 13 177.314 . . . . . . . . 211 ASP C . 50679 1 742 . 1 . 1 211 211 ASP CA C 13 55.425 . . . . . . . . 211 ASP CA . 50679 1 743 . 1 . 1 211 211 ASP CB C 13 40.282 . . . . . . . . 211 ASP CB . 50679 1 744 . 1 . 1 211 211 ASP N N 15 116.312 . . . . . . . . 211 ASP N . 50679 1 745 . 1 . 1 212 212 SER H H 1 7.783 . . . . . . . . 212 SER H . 50679 1 746 . 1 . 1 212 212 SER C C 13 172.415 . . . . . . . . 212 SER C . 50679 1 747 . 1 . 1 212 212 SER CA C 13 59.959 . . . . . . . . 212 SER CA . 50679 1 748 . 1 . 1 212 212 SER CB C 13 64.561 . . . . . . . . 212 SER CB . 50679 1 749 . 1 . 1 212 212 SER N N 15 114.519 . . . . . . . . 212 SER N . 50679 1 750 . 1 . 1 213 213 THR H H 1 7.506 . . . . . . . . 213 THR H . 50679 1 751 . 1 . 1 213 213 THR C C 13 171.554 . . . . . . . . 213 THR C . 50679 1 752 . 1 . 1 213 213 THR CA C 13 59.508 . . . . . . . . 213 THR CA . 50679 1 753 . 1 . 1 213 213 THR CB C 13 69.167 . . . . . . . . 213 THR CB . 50679 1 754 . 1 . 1 213 213 THR N N 15 117.815 . . . . . . . . 213 THR N . 50679 1 755 . 1 . 1 214 214 ARG H H 1 8.691 . . . . . . . . 214 ARG H . 50679 1 756 . 1 . 1 214 214 ARG C C 13 177.93 . . . . . . . . 214 ARG C . 50679 1 757 . 1 . 1 214 214 ARG CA C 13 55.338 . . . . . . . . 214 ARG CA . 50679 1 758 . 1 . 1 214 214 ARG CB C 13 29.545 . . . . . . . . 214 ARG CB . 50679 1 759 . 1 . 1 214 214 ARG N N 15 124.065 . . . . . . . . 214 ARG N . 50679 1 760 . 1 . 1 215 215 ILE H H 1 8.245 . . . . . . . . 215 ILE H . 50679 1 761 . 1 . 1 215 215 ILE C C 13 174.894 . . . . . . . . 215 ILE C . 50679 1 762 . 1 . 1 215 215 ILE CA C 13 60.358 . . . . . . . . 215 ILE CA . 50679 1 763 . 1 . 1 215 215 ILE CB C 13 35.98 . . . . . . . . 215 ILE CB . 50679 1 764 . 1 . 1 215 215 ILE N N 15 126.28 . . . . . . . . 215 ILE N . 50679 1 765 . 1 . 1 216 216 ARG H H 1 8.163 . . . . . . . . 216 ARG H . 50679 1 766 . 1 . 1 216 216 ARG C C 13 174.888 . . . . . . . . 216 ARG C . 50679 1 767 . 1 . 1 216 216 ARG CA C 13 55.892 . . . . . . . . 216 ARG CA . 50679 1 768 . 1 . 1 216 216 ARG CB C 13 29.161 . . . . . . . . 216 ARG CB . 50679 1 769 . 1 . 1 216 216 ARG N N 15 127.027 . . . . . . . . 216 ARG N . 50679 1 770 . 1 . 1 217 217 ILE H H 1 7.875 . . . . . . . . 217 ILE H . 50679 1 771 . 1 . 1 217 217 ILE C C 13 176.499 . . . . . . . . 217 ILE C . 50679 1 772 . 1 . 1 217 217 ILE CA C 13 59.368 . . . . . . . . 217 ILE CA . 50679 1 773 . 1 . 1 217 217 ILE N N 15 123.999 . . . . . . . . 217 ILE N . 50679 1 774 . 1 . 1 218 218 THR C C 13 175.472 . . . . . . . . 218 THR C . 50679 1 775 . 1 . 1 218 218 THR CA C 13 58.916 . . . . . . . . 218 THR CA . 50679 1 776 . 1 . 1 219 219 ASP H H 1 8.808 . . . . . . . . 219 ASP H . 50679 1 777 . 1 . 1 219 219 ASP C C 13 176.145 . . . . . . . . 219 ASP C . 50679 1 778 . 1 . 1 219 219 ASP CA C 13 55.376 . . . . . . . . 219 ASP CA . 50679 1 779 . 1 . 1 219 219 ASP CB C 13 39.68 . . . . . . . . 219 ASP CB . 50679 1 780 . 1 . 1 219 219 ASP N N 15 117.929 . . . . . . . . 219 ASP N . 50679 1 781 . 1 . 1 220 220 ASN H H 1 8.018 . . . . . . . . 220 ASN H . 50679 1 782 . 1 . 1 220 220 ASN C C 13 174.612 . . . . . . . . 220 ASN C . 50679 1 783 . 1 . 1 220 220 ASN CA C 13 53.545 . . . . . . . . 220 ASN CA . 50679 1 784 . 1 . 1 220 220 ASN CB C 13 37.599 . . . . . . . . 220 ASN CB . 50679 1 785 . 1 . 1 220 220 ASN N N 15 112.553 . . . . . . . . 220 ASN N . 50679 1 786 . 1 . 1 221 221 MET H H 1 8.139 . . . . . . . . 221 MET H . 50679 1 787 . 1 . 1 221 221 MET C C 13 174.403 . . . . . . . . 221 MET C . 50679 1 788 . 1 . 1 221 221 MET CA C 13 54.249 . . . . . . . . 221 MET CA . 50679 1 789 . 1 . 1 221 221 MET CB C 13 36.162 . . . . . . . . 221 MET CB . 50679 1 790 . 1 . 1 221 221 MET N N 15 123.513 . . . . . . . . 221 MET N . 50679 1 791 . 1 . 1 222 222 PHE H H 1 8.993 . . . . . . . . 222 PHE H . 50679 1 792 . 1 . 1 222 222 PHE C C 13 171.685 . . . . . . . . 222 PHE C . 50679 1 793 . 1 . 1 222 222 PHE CA C 13 56.326 . . . . . . . . 222 PHE CA . 50679 1 794 . 1 . 1 222 222 PHE CB C 13 40.582 . . . . . . . . 222 PHE CB . 50679 1 795 . 1 . 1 222 222 PHE N N 15 118.058 . . . . . . . . 222 PHE N . 50679 1 796 . 1 . 1 223 223 CYS H H 1 8.801 . . . . . . . . 223 CYS H . 50679 1 797 . 1 . 1 223 223 CYS C C 13 172.135 . . . . . . . . 223 CYS C . 50679 1 798 . 1 . 1 223 223 CYS CA C 13 54.826 . . . . . . . . 223 CYS CA . 50679 1 799 . 1 . 1 223 223 CYS CB C 13 41.972 . . . . . . . . 223 CYS CB . 50679 1 800 . 1 . 1 223 223 CYS N N 15 120.665 . . . . . . . . 223 CYS N . 50679 1 801 . 1 . 1 224 224 ALA H H 1 8.636 . . . . . . . . 224 ALA H . 50679 1 802 . 1 . 1 224 224 ALA C C 13 175.821 . . . . . . . . 224 ALA C . 50679 1 803 . 1 . 1 224 224 ALA CA C 13 51.016 . . . . . . . . 224 ALA CA . 50679 1 804 . 1 . 1 224 224 ALA CB C 13 23.01 . . . . . . . . 224 ALA CB . 50679 1 805 . 1 . 1 224 224 ALA N N 15 121.783 . . . . . . . . 224 ALA N . 50679 1 806 . 1 . 1 225 225 GLY H H 1 8.604 . . . . . . . . 225 GLY H . 50679 1 807 . 1 . 1 225 225 GLY C C 13 171.301 . . . . . . . . 225 GLY C . 50679 1 808 . 1 . 1 225 225 GLY CA C 13 43.962 . . . . . . . . 225 GLY CA . 50679 1 809 . 1 . 1 225 225 GLY N N 15 107.842 . . . . . . . . 225 GLY N . 50679 1 810 . 1 . 1 226 226 TYR H H 1 9.274 . . . . . . . . 226 TYR H . 50679 1 811 . 1 . 1 226 226 TYR C C 13 177.387 . . . . . . . . 226 TYR C . 50679 1 812 . 1 . 1 226 226 TYR CA C 13 59.314 . . . . . . . . 226 TYR CA . 50679 1 813 . 1 . 1 226 226 TYR N N 15 118.441 . . . . . . . . 226 TYR N . 50679 1 814 . 1 . 1 227 227 LYS H H 1 9.998 . . . . . . . . 227 LYS H . 50679 1 815 . 1 . 1 227 227 LYS C C 13 177.982 . . . . . . . . 227 LYS C . 50679 1 816 . 1 . 1 227 227 LYS CA C 13 54.717 . . . . . . . . 227 LYS CA . 50679 1 817 . 1 . 1 227 227 LYS N N 15 124.253 . . . . . . . . 227 LYS N . 50679 1 818 . 1 . 1 228 228 PRO C C 13 176.648 . . . . . . . . 228 PRO C . 50679 1 819 . 1 . 1 228 228 PRO CA C 13 65.138 . . . . . . . . 228 PRO CA . 50679 1 820 . 1 . 1 228 228 PRO CB C 13 31.286 . . . . . . . . 228 PRO CB . 50679 1 821 . 1 . 1 229 229 ASP H H 1 8.378 . . . . . . . . 229 ASP H . 50679 1 822 . 1 . 1 229 229 ASP C C 13 177.141 . . . . . . . . 229 ASP C . 50679 1 823 . 1 . 1 229 229 ASP CA C 13 53.913 . . . . . . . . 229 ASP CA . 50679 1 824 . 1 . 1 229 229 ASP CB C 13 39.603 . . . . . . . . 229 ASP CB . 50679 1 825 . 1 . 1 229 229 ASP N N 15 113.748 . . . . . . . . 229 ASP N . 50679 1 826 . 1 . 1 230 230 GLU H H 1 7.665 . . . . . . . . 230 GLU H . 50679 1 827 . 1 . 1 230 230 GLU C C 13 177.845 . . . . . . . . 230 GLU C . 50679 1 828 . 1 . 1 230 230 GLU CA C 13 57.431 . . . . . . . . 230 GLU CA . 50679 1 829 . 1 . 1 230 230 GLU CB C 13 30.846 . . . . . . . . 230 GLU CB . 50679 1 830 . 1 . 1 230 230 GLU N N 15 118.157 . . . . . . . . 230 GLU N . 50679 1 831 . 1 . 1 231 231 GLY H H 1 8.119 . . . . . . . . 231 GLY H . 50679 1 832 . 1 . 1 231 231 GLY C C 13 173.352 . . . . . . . . 231 GLY C . 50679 1 833 . 1 . 1 231 231 GLY CA C 13 46.031 . . . . . . . . 231 GLY CA . 50679 1 834 . 1 . 1 231 231 GLY N N 15 107.679 . . . . . . . . 231 GLY N . 50679 1 835 . 1 . 1 232 232 LYS H H 1 6.676 . . . . . . . . 232 LYS H . 50679 1 836 . 1 . 1 232 232 LYS C C 13 173.075 . . . . . . . . 232 LYS C . 50679 1 837 . 1 . 1 232 232 LYS CA C 13 54.438 . . . . . . . . 232 LYS CA . 50679 1 838 . 1 . 1 232 232 LYS CB C 13 33.464 . . . . . . . . 232 LYS CB . 50679 1 839 . 1 . 1 232 232 LYS N N 15 119.508 . . . . . . . . 232 LYS N . 50679 1 840 . 1 . 1 233 233 ARG H H 1 7.955 . . . . . . . . 233 ARG H . 50679 1 841 . 1 . 1 233 233 ARG C C 13 174.17 . . . . . . . . 233 ARG C . 50679 1 842 . 1 . 1 233 233 ARG CA C 13 54.379 . . . . . . . . 233 ARG CA . 50679 1 843 . 1 . 1 233 233 ARG N N 15 118.607 . . . . . . . . 233 ARG N . 50679 1 844 . 1 . 1 242 242 GLY C C 13 174.086 . . . . . . . . 242 GLY C . 50679 1 845 . 1 . 1 242 242 GLY CA C 13 45.74 . . . . . . . . 242 GLY CA . 50679 1 846 . 1 . 1 243 243 GLY H H 1 7.722 . . . . . . . . 243 GLY H . 50679 1 847 . 1 . 1 243 243 GLY C C 13 170.486 . . . . . . . . 243 GLY C . 50679 1 848 . 1 . 1 243 243 GLY CA C 13 43.508 . . . . . . . . 243 GLY CA . 50679 1 849 . 1 . 1 243 243 GLY N N 15 103.011 . . . . . . . . 243 GLY N . 50679 1 850 . 1 . 1 244 244 PRO C C 13 174.333 . . . . . . . . 244 PRO C . 50679 1 851 . 1 . 1 244 244 PRO CA C 13 63.407 . . . . . . . . 244 PRO CA . 50679 1 852 . 1 . 1 244 244 PRO CB C 13 31.093 . . . . . . . . 244 PRO CB . 50679 1 853 . 1 . 1 245 245 PHE H H 1 7.792 . . . . . . . . 245 PHE H . 50679 1 854 . 1 . 1 245 245 PHE C C 13 177.275 . . . . . . . . 245 PHE C . 50679 1 855 . 1 . 1 245 245 PHE CA C 13 55.811 . . . . . . . . 245 PHE CA . 50679 1 856 . 1 . 1 245 245 PHE CB C 13 40.309 . . . . . . . . 245 PHE CB . 50679 1 857 . 1 . 1 245 245 PHE N N 15 122.496 . . . . . . . . 245 PHE N . 50679 1 858 . 1 . 1 246 246 VAL H H 1 9.337 . . . . . . . . 246 VAL H . 50679 1 859 . 1 . 1 246 246 VAL C C 13 174.039 . . . . . . . . 246 VAL C . 50679 1 860 . 1 . 1 246 246 VAL CA C 13 58.134 . . . . . . . . 246 VAL CA . 50679 1 861 . 1 . 1 246 246 VAL CB C 13 34.756 . . . . . . . . 246 VAL CB . 50679 1 862 . 1 . 1 246 246 VAL N N 15 121.661 . . . . . . . . 246 VAL N . 50679 1 863 . 1 . 1 247 247 MET H H 1 9.186 . . . . . . . . 247 MET H . 50679 1 864 . 1 . 1 247 247 MET C C 13 173.093 . . . . . . . . 247 MET C . 50679 1 865 . 1 . 1 247 247 MET CA C 13 55.001 . . . . . . . . 247 MET CA . 50679 1 866 . 1 . 1 247 247 MET CB C 13 38.871 . . . . . . . . 247 MET CB . 50679 1 867 . 1 . 1 247 247 MET N N 15 118.164 . . . . . . . . 247 MET N . 50679 1 868 . 1 . 1 248 248 LYS H H 1 6.673 . . . . . . . . 248 LYS H . 50679 1 869 . 1 . 1 248 248 LYS C C 13 174.95 . . . . . . . . 248 LYS C . 50679 1 870 . 1 . 1 248 248 LYS CA C 13 53.826 . . . . . . . . 248 LYS CA . 50679 1 871 . 1 . 1 248 248 LYS CB C 13 30.941 . . . . . . . . 248 LYS CB . 50679 1 872 . 1 . 1 248 248 LYS N N 15 122.998 . . . . . . . . 248 LYS N . 50679 1 873 . 1 . 1 249 249 SER H H 1 8.854 . . . . . . . . 249 SER H . 50679 1 874 . 1 . 1 249 249 SER C C 13 175.012 . . . . . . . . 249 SER C . 50679 1 875 . 1 . 1 249 249 SER CA C 13 54.306 . . . . . . . . 249 SER CA . 50679 1 876 . 1 . 1 249 249 SER N N 15 120.752 . . . . . . . . 249 SER N . 50679 1 877 . 1 . 1 250 250 PRO C C 13 176.204 . . . . . . . . 250 PRO C . 50679 1 878 . 1 . 1 250 250 PRO CA C 13 62.437 . . . . . . . . 250 PRO CA . 50679 1 879 . 1 . 1 250 250 PRO CB C 13 30.822 . . . . . . . . 250 PRO CB . 50679 1 880 . 1 . 1 251 251 PHE H H 1 7.619 . . . . . . . . 251 PHE H . 50679 1 881 . 1 . 1 251 251 PHE C C 13 176.885 . . . . . . . . 251 PHE C . 50679 1 882 . 1 . 1 251 251 PHE CA C 13 57.968 . . . . . . . . 251 PHE CA . 50679 1 883 . 1 . 1 251 251 PHE CB C 13 38.223 . . . . . . . . 251 PHE CB . 50679 1 884 . 1 . 1 251 251 PHE N N 15 118.774 . . . . . . . . 251 PHE N . 50679 1 885 . 1 . 1 252 252 ASN H H 1 7.161 . . . . . . . . 252 ASN H . 50679 1 886 . 1 . 1 252 252 ASN C C 13 175.106 . . . . . . . . 252 ASN C . 50679 1 887 . 1 . 1 252 252 ASN CA C 13 51.49 . . . . . . . . 252 ASN CA . 50679 1 888 . 1 . 1 252 252 ASN CB C 13 38.655 . . . . . . . . 252 ASN CB . 50679 1 889 . 1 . 1 252 252 ASN N N 15 113.393 . . . . . . . . 252 ASN N . 50679 1 890 . 1 . 1 253 253 ASN H H 1 7.745 . . . . . . . . 253 ASN H . 50679 1 891 . 1 . 1 253 253 ASN C C 13 171.765 . . . . . . . . 253 ASN C . 50679 1 892 . 1 . 1 253 253 ASN CA C 13 54.596 . . . . . . . . 253 ASN CA . 50679 1 893 . 1 . 1 253 253 ASN CB C 13 38.317 . . . . . . . . 253 ASN CB . 50679 1 894 . 1 . 1 253 253 ASN N N 15 114.281 . . . . . . . . 253 ASN N . 50679 1 895 . 1 . 1 254 254 ARG H H 1 7.341 . . . . . . . . 254 ARG H . 50679 1 896 . 1 . 1 254 254 ARG C C 13 176.486 . . . . . . . . 254 ARG C . 50679 1 897 . 1 . 1 254 254 ARG CA C 13 54.593 . . . . . . . . 254 ARG CA . 50679 1 898 . 1 . 1 254 254 ARG CB C 13 32.105 . . . . . . . . 254 ARG CB . 50679 1 899 . 1 . 1 254 254 ARG N N 15 112.739 . . . . . . . . 254 ARG N . 50679 1 900 . 1 . 1 255 255 TRP H H 1 8.652 . . . . . . . . 255 TRP H . 50679 1 901 . 1 . 1 255 255 TRP C C 13 174.782 . . . . . . . . 255 TRP C . 50679 1 902 . 1 . 1 255 255 TRP CA C 13 56.684 . . . . . . . . 255 TRP CA . 50679 1 903 . 1 . 1 255 255 TRP CB C 13 30.539 . . . . . . . . 255 TRP CB . 50679 1 904 . 1 . 1 255 255 TRP N N 15 120.724 . . . . . . . . 255 TRP N . 50679 1 905 . 1 . 1 256 256 TYR H H 1 8.981 . . . . . . . . 256 TYR H . 50679 1 906 . 1 . 1 256 256 TYR C C 13 175.836 . . . . . . . . 256 TYR C . 50679 1 907 . 1 . 1 256 256 TYR CA C 13 55.925 . . . . . . . . 256 TYR CA . 50679 1 908 . 1 . 1 256 256 TYR CB C 13 43.215 . . . . . . . . 256 TYR CB . 50679 1 909 . 1 . 1 256 256 TYR N N 15 118.29 . . . . . . . . 256 TYR N . 50679 1 910 . 1 . 1 257 257 GLN H H 1 8.949 . . . . . . . . 257 GLN H . 50679 1 911 . 1 . 1 257 257 GLN C C 13 172.755 . . . . . . . . 257 GLN C . 50679 1 912 . 1 . 1 257 257 GLN CA C 13 55.378 . . . . . . . . 257 GLN CA . 50679 1 913 . 1 . 1 257 257 GLN CB C 13 25.817 . . . . . . . . 257 GLN CB . 50679 1 914 . 1 . 1 257 257 GLN N N 15 121.874 . . . . . . . . 257 GLN N . 50679 1 915 . 1 . 1 258 258 MET H H 1 8.131 . . . . . . . . 258 MET H . 50679 1 916 . 1 . 1 258 258 MET C C 13 178.674 . . . . . . . . 258 MET C . 50679 1 917 . 1 . 1 258 258 MET CA C 13 53.215 . . . . . . . . 258 MET CA . 50679 1 918 . 1 . 1 258 258 MET CB C 13 31.365 . . . . . . . . 258 MET CB . 50679 1 919 . 1 . 1 258 258 MET N N 15 122.261 . . . . . . . . 258 MET N . 50679 1 920 . 1 . 1 259 259 GLY H H 1 8.925 . . . . . . . . 259 GLY H . 50679 1 921 . 1 . 1 259 259 GLY C C 13 173.098 . . . . . . . . 259 GLY C . 50679 1 922 . 1 . 1 259 259 GLY CA C 13 44.692 . . . . . . . . 259 GLY CA . 50679 1 923 . 1 . 1 259 259 GLY N N 15 104.504 . . . . . . . . 259 GLY N . 50679 1 924 . 1 . 1 260 260 ILE H H 1 7.712 . . . . . . . . 260 ILE H . 50679 1 925 . 1 . 1 260 260 ILE C C 13 175.704 . . . . . . . . 260 ILE C . 50679 1 926 . 1 . 1 260 260 ILE CA C 13 59.926 . . . . . . . . 260 ILE CA . 50679 1 927 . 1 . 1 260 260 ILE CB C 13 41.259 . . . . . . . . 260 ILE CB . 50679 1 928 . 1 . 1 260 260 ILE N N 15 123.18 . . . . . . . . 260 ILE N . 50679 1 929 . 1 . 1 261 261 VAL H H 1 9.125 . . . . . . . . 261 VAL H . 50679 1 930 . 1 . 1 261 261 VAL C C 13 175.613 . . . . . . . . 261 VAL C . 50679 1 931 . 1 . 1 261 261 VAL CA C 13 64.309 . . . . . . . . 261 VAL CA . 50679 1 932 . 1 . 1 261 261 VAL N N 15 127.343 . . . . . . . . 261 VAL N . 50679 1 933 . 1 . 1 262 262 SER H H 1 7.905 . . . . . . . . 262 SER H . 50679 1 934 . 1 . 1 262 262 SER CA C 13 59.524 . . . . . . . . 262 SER CA . 50679 1 935 . 1 . 1 262 262 SER N N 15 126.891 . . . . . . . . 262 SER N . 50679 1 936 . 1 . 1 264 264 GLY H H 1 8.08 . . . . . . . . 264 GLY H . 50679 1 937 . 1 . 1 264 264 GLY C C 13 172.939 . . . . . . . . 264 GLY C . 50679 1 938 . 1 . 1 264 264 GLY CA C 13 44.39 . . . . . . . . 264 GLY CA . 50679 1 939 . 1 . 1 264 264 GLY N N 15 105.666 . . . . . . . . 264 GLY N . 50679 1 940 . 1 . 1 265 265 GLU H H 1 9.268 . . . . . . . . 265 GLU H . 50679 1 941 . 1 . 1 265 265 GLU C C 13 175.49 . . . . . . . . 265 GLU C . 50679 1 942 . 1 . 1 265 265 GLU CA C 13 55.171 . . . . . . . . 265 GLU CA . 50679 1 943 . 1 . 1 265 265 GLU CB C 13 29.319 . . . . . . . . 265 GLU CB . 50679 1 944 . 1 . 1 265 265 GLU N N 15 124.291 . . . . . . . . 265 GLU N . 50679 1 945 . 1 . 1 266 266 GLY H H 1 8.059 . . . . . . . . 266 GLY H . 50679 1 946 . 1 . 1 266 266 GLY C C 13 173.227 . . . . . . . . 266 GLY C . 50679 1 947 . 1 . 1 266 266 GLY CA C 13 43.434 . . . . . . . . 266 GLY CA . 50679 1 948 . 1 . 1 266 266 GLY N N 15 111.757 . . . . . . . . 266 GLY N . 50679 1 949 . 1 . 1 270 270 ASP H H 1 8.955 . . . . . . . . 270 ASP H . 50679 1 950 . 1 . 1 270 270 ASP C C 13 177.699 . . . . . . . . 270 ASP C . 50679 1 951 . 1 . 1 270 270 ASP CA C 13 55.218 . . . . . . . . 270 ASP CA . 50679 1 952 . 1 . 1 270 270 ASP CB C 13 39.534 . . . . . . . . 270 ASP CB . 50679 1 953 . 1 . 1 270 270 ASP N N 15 125.024 . . . . . . . . 270 ASP N . 50679 1 954 . 1 . 1 271 271 GLY H H 1 9.112 . . . . . . . . 271 GLY H . 50679 1 955 . 1 . 1 271 271 GLY C C 13 171.761 . . . . . . . . 271 GLY C . 50679 1 956 . 1 . 1 271 271 GLY CA C 13 44.966 . . . . . . . . 271 GLY CA . 50679 1 957 . 1 . 1 271 271 GLY N N 15 112.276 . . . . . . . . 271 GLY N . 50679 1 958 . 1 . 1 272 272 LYS H H 1 6.906 . . . . . . . . 272 LYS H . 50679 1 959 . 1 . 1 272 272 LYS C C 13 174.611 . . . . . . . . 272 LYS C . 50679 1 960 . 1 . 1 272 272 LYS CA C 13 51.309 . . . . . . . . 272 LYS CA . 50679 1 961 . 1 . 1 272 272 LYS N N 15 117.243 . . . . . . . . 272 LYS N . 50679 1 962 . 1 . 1 274 274 GLY C C 13 173.196 . . . . . . . . 274 GLY C . 50679 1 963 . 1 . 1 274 274 GLY CA C 13 45.479 . . . . . . . . 274 GLY CA . 50679 1 964 . 1 . 1 275 275 PHE H H 1 8.638 . . . . . . . . 275 PHE H . 50679 1 965 . 1 . 1 275 275 PHE C C 13 176.092 . . . . . . . . 275 PHE C . 50679 1 966 . 1 . 1 275 275 PHE CA C 13 57.076 . . . . . . . . 275 PHE CA . 50679 1 967 . 1 . 1 275 275 PHE CB C 13 39.65 . . . . . . . . 275 PHE CB . 50679 1 968 . 1 . 1 275 275 PHE N N 15 119.372 . . . . . . . . 275 PHE N . 50679 1 969 . 1 . 1 276 276 TYR H H 1 8.696 . . . . . . . . 276 TYR H . 50679 1 970 . 1 . 1 276 276 TYR C C 13 175.147 . . . . . . . . 276 TYR C . 50679 1 971 . 1 . 1 276 276 TYR CA C 13 55.467 . . . . . . . . 276 TYR CA . 50679 1 972 . 1 . 1 276 276 TYR CB C 13 40.731 . . . . . . . . 276 TYR CB . 50679 1 973 . 1 . 1 276 276 TYR N N 15 120.746 . . . . . . . . 276 TYR N . 50679 1 974 . 1 . 1 277 277 THR H H 1 9.16 . . . . . . . . 277 THR H . 50679 1 975 . 1 . 1 277 277 THR C C 13 173.947 . . . . . . . . 277 THR C . 50679 1 976 . 1 . 1 277 277 THR CA C 13 63.297 . . . . . . . . 277 THR CA . 50679 1 977 . 1 . 1 277 277 THR CB C 13 68.66 . . . . . . . . 277 THR CB . 50679 1 978 . 1 . 1 277 277 THR N N 15 120.162 . . . . . . . . 277 THR N . 50679 1 979 . 1 . 1 278 278 HIS H H 1 8.431 . . . . . . . . 278 HIS H . 50679 1 980 . 1 . 1 278 278 HIS C C 13 173.661 . . . . . . . . 278 HIS C . 50679 1 981 . 1 . 1 278 278 HIS CA C 13 55.351 . . . . . . . . 278 HIS CA . 50679 1 982 . 1 . 1 278 278 HIS CB C 13 31.126 . . . . . . . . 278 HIS CB . 50679 1 983 . 1 . 1 278 278 HIS N N 15 129.803 . . . . . . . . 278 HIS N . 50679 1 984 . 1 . 1 279 279 VAL H H 1 7.698 . . . . . . . . 279 VAL H . 50679 1 985 . 1 . 1 279 279 VAL C C 13 177.224 . . . . . . . . 279 VAL C . 50679 1 986 . 1 . 1 279 279 VAL CA C 13 67.72 . . . . . . . . 279 VAL CA . 50679 1 987 . 1 . 1 279 279 VAL CB C 13 31.23 . . . . . . . . 279 VAL CB . 50679 1 988 . 1 . 1 279 279 VAL N N 15 126.47 . . . . . . . . 279 VAL N . 50679 1 989 . 1 . 1 280 280 PHE H H 1 10.03 . . . . . . . . 280 PHE H . 50679 1 990 . 1 . 1 280 280 PHE C C 13 177.933 . . . . . . . . 280 PHE C . 50679 1 991 . 1 . 1 280 280 PHE CA C 13 62.251 . . . . . . . . 280 PHE CA . 50679 1 992 . 1 . 1 280 280 PHE N N 15 118.773 . . . . . . . . 280 PHE N . 50679 1 993 . 1 . 1 281 281 ARG H H 1 8.016 . . . . . . . . 281 ARG H . 50679 1 994 . 1 . 1 281 281 ARG C C 13 177.63 . . . . . . . . 281 ARG C . 50679 1 995 . 1 . 1 281 281 ARG CA C 13 58.249 . . . . . . . . 281 ARG CA . 50679 1 996 . 1 . 1 281 281 ARG N N 15 118.416 . . . . . . . . 281 ARG N . 50679 1 997 . 1 . 1 282 282 LEU H H 1 7.337 . . . . . . . . 282 LEU H . 50679 1 998 . 1 . 1 282 282 LEU C C 13 176.973 . . . . . . . . 282 LEU C . 50679 1 999 . 1 . 1 282 282 LEU CA C 13 53.222 . . . . . . . . 282 LEU CA . 50679 1 1000 . 1 . 1 282 282 LEU CB C 13 40.97 . . . . . . . . 282 LEU CB . 50679 1 1001 . 1 . 1 282 282 LEU N N 15 119.779 . . . . . . . . 282 LEU N . 50679 1 1002 . 1 . 1 283 283 LYS H H 1 7.551 . . . . . . . . 283 LYS H . 50679 1 1003 . 1 . 1 283 283 LYS C C 13 177.184 . . . . . . . . 283 LYS C . 50679 1 1004 . 1 . 1 283 283 LYS CA C 13 59.163 . . . . . . . . 283 LYS CA . 50679 1 1005 . 1 . 1 283 283 LYS CB C 13 32.378 . . . . . . . . 283 LYS CB . 50679 1 1006 . 1 . 1 283 283 LYS N N 15 122.867 . . . . . . . . 283 LYS N . 50679 1 1007 . 1 . 1 284 284 LYS H H 1 8.383 . . . . . . . . 284 LYS H . 50679 1 1008 . 1 . 1 284 284 LYS C C 13 179.326 . . . . . . . . 284 LYS C . 50679 1 1009 . 1 . 1 284 284 LYS CA C 13 59.166 . . . . . . . . 284 LYS CA . 50679 1 1010 . 1 . 1 284 284 LYS CB C 13 30.318 . . . . . . . . 284 LYS CB . 50679 1 1011 . 1 . 1 284 284 LYS N N 15 118.087 . . . . . . . . 284 LYS N . 50679 1 1012 . 1 . 1 285 285 TRP H H 1 7.504 . . . . . . . . 285 TRP H . 50679 1 1013 . 1 . 1 285 285 TRP C C 13 175.724 . . . . . . . . 285 TRP C . 50679 1 1014 . 1 . 1 285 285 TRP CA C 13 61.676 . . . . . . . . 285 TRP CA . 50679 1 1015 . 1 . 1 285 285 TRP CB C 13 27 . . . . . . . . 285 TRP CB . 50679 1 1016 . 1 . 1 285 285 TRP N N 15 120.949 . . . . . . . . 285 TRP N . 50679 1 1017 . 1 . 1 286 286 ILE H H 1 7.301 . . . . . . . . 286 ILE H . 50679 1 1018 . 1 . 1 286 286 ILE C C 13 176.86 . . . . . . . . 286 ILE C . 50679 1 1019 . 1 . 1 286 286 ILE CA C 13 64.074 . . . . . . . . 286 ILE CA . 50679 1 1020 . 1 . 1 286 286 ILE CB C 13 37.801 . . . . . . . . 286 ILE CB . 50679 1 1021 . 1 . 1 286 286 ILE N N 15 117.523 . . . . . . . . 286 ILE N . 50679 1 1022 . 1 . 1 287 287 GLN H H 1 8.127 . . . . . . . . 287 GLN H . 50679 1 1023 . 1 . 1 287 287 GLN C C 13 176.909 . . . . . . . . 287 GLN C . 50679 1 1024 . 1 . 1 287 287 GLN CA C 13 57.896 . . . . . . . . 287 GLN CA . 50679 1 1025 . 1 . 1 287 287 GLN N N 15 114.248 . . . . . . . . 287 GLN N . 50679 1 1026 . 1 . 1 288 288 LYS H H 1 7.338 . . . . . . . . 288 LYS H . 50679 1 1027 . 1 . 1 288 288 LYS C C 13 178.923 . . . . . . . . 288 LYS C . 50679 1 1028 . 1 . 1 288 288 LYS CA C 13 58.5 . . . . . . . . 288 LYS CA . 50679 1 1029 . 1 . 1 288 288 LYS CB C 13 31.19 . . . . . . . . 288 LYS CB . 50679 1 1030 . 1 . 1 288 288 LYS N N 15 119.459 . . . . . . . . 288 LYS N . 50679 1 1031 . 1 . 1 289 289 VAL H H 1 7.275 . . . . . . . . 289 VAL H . 50679 1 1032 . 1 . 1 289 289 VAL C C 13 177.606 . . . . . . . . 289 VAL C . 50679 1 1033 . 1 . 1 289 289 VAL CA C 13 65.58 . . . . . . . . 289 VAL CA . 50679 1 1034 . 1 . 1 289 289 VAL CB C 13 30.139 . . . . . . . . 289 VAL CB . 50679 1 1035 . 1 . 1 289 289 VAL N N 15 120.272 . . . . . . . . 289 VAL N . 50679 1 1036 . 1 . 1 290 290 ILE H H 1 7.146 . . . . . . . . 290 ILE H . 50679 1 1037 . 1 . 1 290 290 ILE C C 13 178.651 . . . . . . . . 290 ILE C . 50679 1 1038 . 1 . 1 290 290 ILE CA C 13 64.467 . . . . . . . . 290 ILE CA . 50679 1 1039 . 1 . 1 290 290 ILE CB C 13 36.473 . . . . . . . . 290 ILE CB . 50679 1 1040 . 1 . 1 290 290 ILE N N 15 118.056 . . . . . . . . 290 ILE N . 50679 1 1041 . 1 . 1 291 291 ASP H H 1 8.132 . . . . . . . . 291 ASP H . 50679 1 1042 . 1 . 1 291 291 ASP C C 13 178.052 . . . . . . . . 291 ASP C . 50679 1 1043 . 1 . 1 291 291 ASP CA C 13 56.016 . . . . . . . . 291 ASP CA . 50679 1 1044 . 1 . 1 291 291 ASP CB C 13 40.118 . . . . . . . . 291 ASP CB . 50679 1 1045 . 1 . 1 291 291 ASP N N 15 119.409 . . . . . . . . 291 ASP N . 50679 1 1046 . 1 . 1 292 292 GLN H H 1 7.6 . . . . . . . . 292 GLN H . 50679 1 1047 . 1 . 1 292 292 GLN C C 13 177.197 . . . . . . . . 292 GLN C . 50679 1 1048 . 1 . 1 292 292 GLN CA C 13 57.223 . . . . . . . . 292 GLN CA . 50679 1 1049 . 1 . 1 292 292 GLN CB C 13 28.228 . . . . . . . . 292 GLN CB . 50679 1 1050 . 1 . 1 292 292 GLN N N 15 118.039 . . . . . . . . 292 GLN N . 50679 1 1051 . 1 . 1 293 293 PHE H H 1 8.094 . . . . . . . . 293 PHE H . 50679 1 1052 . 1 . 1 293 293 PHE C C 13 176.554 . . . . . . . . 293 PHE C . 50679 1 1053 . 1 . 1 293 293 PHE CA C 13 57.652 . . . . . . . . 293 PHE CA . 50679 1 1054 . 1 . 1 293 293 PHE CB C 13 38.667 . . . . . . . . 293 PHE CB . 50679 1 1055 . 1 . 1 293 293 PHE N N 15 117.866 . . . . . . . . 293 PHE N . 50679 1 1056 . 1 . 1 294 294 GLY H H 1 8.022 . . . . . . . . 294 GLY H . 50679 1 1057 . 1 . 1 294 294 GLY C C 13 173.233 . . . . . . . . 294 GLY C . 50679 1 1058 . 1 . 1 294 294 GLY CA C 13 45.698 . . . . . . . . 294 GLY CA . 50679 1 1059 . 1 . 1 294 294 GLY N N 15 110.493 . . . . . . . . 294 GLY N . 50679 1 1060 . 1 . 1 295 295 GLU H H 1 7.931 . . . . . . . . 295 GLU H . 50679 1 1061 . 1 . 1 295 295 GLU C C 13 181.322 . . . . . . . . 295 GLU C . 50679 1 1062 . 1 . 1 295 295 GLU CA C 13 57.852 . . . . . . . . 295 GLU CA . 50679 1 1063 . 1 . 1 295 295 GLU N N 15 125.878 . . . . . . . . 295 GLU N . 50679 1 stop_ save_