data_50676 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50676 _Entry.Title ; PPACK-Thrombin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-12-21 _Entry.Accession_date 2020-12-21 _Entry.Last_release_date 2020-12-21 _Entry.Original_release_date 2020-12-21 _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 bound to the active site inhibitor, PPACK' _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 50676 2 Marco Tonelli . . . 0000-0002-7700-5745 50676 3 Elizabeth Komives . . . 0000-0001-5264-3866 50676 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' . 50676 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50676 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 750 50676 '15N chemical shifts' 244 50676 '1H chemical shifts' 244 50676 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 . 50676 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50678 'thrombin-thrombomodulin complex' 50676 BMRB 50679 'human thrombin' 50676 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50676 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 22828334 _Citation.DOI 10.1016/j.bpj.2012.05.047 _Citation.Full_citation . _Citation.Title ; The dynamic structure of thrombin in solution. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 103 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1542-0086 _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 79 _Citation.Page_last 88 _Citation.Year 2012 _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 Brian Fuglestad B. . . . 50676 1 2 Paul Gasper P. M. . . 50676 1 3 Marco Tonelli M. . . . 50676 1 4 'J Andrew' McCammon J. A. . . 50676 1 5 Phineus Markwick P. R. . . 50676 1 6 Elizabeth Komives E. A. . . 50676 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50676 _Assembly.ID 1 _Assembly.Name PPACK-thrombin _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _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 ; The system contains ligand: D-Phe-Pro-Arg-chloromethylketone; Formula: C21H33Cl3N6O3; Formula_weight: 523.88. ; _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 PPACK-thrombin 1 $entity_1 . . yes native no no . . . 50676 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50676 _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 . _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 . . . . . . . . . . . . . . 50676 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'blood clotting' 50676 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 . 50676 1 2 . PHE . 50676 1 3 . GLY . 50676 1 4 . SER . 50676 1 5 . GLY . 50676 1 6 . GLU . 50676 1 7 . ALA . 50676 1 8 . ASP . 50676 1 9 . CYS . 50676 1 10 . GLY . 50676 1 11 . LEU . 50676 1 12 . ARG . 50676 1 13 . PRO . 50676 1 14 . LEU . 50676 1 15 . PHE . 50676 1 16 . GLU . 50676 1 17 . LYS . 50676 1 18 . LYS . 50676 1 19 . SER . 50676 1 20 . LEU . 50676 1 21 . GLU . 50676 1 22 . ASP . 50676 1 23 . LYS . 50676 1 24 . THR . 50676 1 25 . GLU . 50676 1 26 . ARG . 50676 1 27 . GLU . 50676 1 28 . LEU . 50676 1 29 . LEU . 50676 1 30 . GLU . 50676 1 31 . SER . 50676 1 32 . TYR . 50676 1 33 . ILE . 50676 1 34 . ASP . 50676 1 35 . GLY . 50676 1 36 . ARG . 50676 1 37 . ILE . 50676 1 38 . VAL . 50676 1 39 . GLU . 50676 1 40 . GLY . 50676 1 41 . SER . 50676 1 42 . ASP . 50676 1 43 . ALA . 50676 1 44 . GLU . 50676 1 45 . ILE . 50676 1 46 . GLY . 50676 1 47 . MET . 50676 1 48 . SER . 50676 1 49 . PRO . 50676 1 50 . TRP . 50676 1 51 . GLN . 50676 1 52 . VAL . 50676 1 53 . MET . 50676 1 54 . LEU . 50676 1 55 . PHE . 50676 1 56 . ARG . 50676 1 57 . LYS . 50676 1 58 . SER . 50676 1 59 . PRO . 50676 1 60 . GLN . 50676 1 61 . GLU . 50676 1 62 . LEU . 50676 1 63 . LEU . 50676 1 64 . CYS . 50676 1 65 . GLY . 50676 1 66 . ALA . 50676 1 67 . SER . 50676 1 68 . LEU . 50676 1 69 . ILE . 50676 1 70 . SER . 50676 1 71 . ASP . 50676 1 72 . ARG . 50676 1 73 . TRP . 50676 1 74 . VAL . 50676 1 75 . LEU . 50676 1 76 . THR . 50676 1 77 . ALA . 50676 1 78 . ALA . 50676 1 79 . HIS . 50676 1 80 . CYS . 50676 1 81 . LEU . 50676 1 82 . LEU . 50676 1 83 . TYR . 50676 1 84 . PRO . 50676 1 85 . PRO . 50676 1 86 . TRP . 50676 1 87 . ASP . 50676 1 88 . LYS . 50676 1 89 . ASN . 50676 1 90 . PHE . 50676 1 91 . THR . 50676 1 92 . GLU . 50676 1 93 . ASN . 50676 1 94 . ASP . 50676 1 95 . LEU . 50676 1 96 . LEU . 50676 1 97 . VAL . 50676 1 98 . ARG . 50676 1 99 . ILE . 50676 1 100 . GLY . 50676 1 101 . LYS . 50676 1 102 . HIS . 50676 1 103 . SER . 50676 1 104 . ARG . 50676 1 105 . THR . 50676 1 106 . ARG . 50676 1 107 . TYR . 50676 1 108 . GLU . 50676 1 109 . ARG . 50676 1 110 . ASN . 50676 1 111 . ILE . 50676 1 112 . GLU . 50676 1 113 . LYS . 50676 1 114 . ILE . 50676 1 115 . SER . 50676 1 116 . MET . 50676 1 117 . LEU . 50676 1 118 . GLU . 50676 1 119 . LYS . 50676 1 120 . ILE . 50676 1 121 . TYR . 50676 1 122 . ILE . 50676 1 123 . HIS . 50676 1 124 . PRO . 50676 1 125 . ARG . 50676 1 126 . TYR . 50676 1 127 . ASN . 50676 1 128 . TRP . 50676 1 129 . ARG . 50676 1 130 . GLU . 50676 1 131 . ASN . 50676 1 132 . LEU . 50676 1 133 . ASP . 50676 1 134 . ARG . 50676 1 135 . ASP . 50676 1 136 . ILE . 50676 1 137 . ALA . 50676 1 138 . LEU . 50676 1 139 . MET . 50676 1 140 . LYS . 50676 1 141 . LEU . 50676 1 142 . LYS . 50676 1 143 . LYS . 50676 1 144 . PRO . 50676 1 145 . VAL . 50676 1 146 . ALA . 50676 1 147 . PHE . 50676 1 148 . SER . 50676 1 149 . ASP . 50676 1 150 . TYR . 50676 1 151 . ILE . 50676 1 152 . HIS . 50676 1 153 . PRO . 50676 1 154 . VAL . 50676 1 155 . CYS . 50676 1 156 . LEU . 50676 1 157 . PRO . 50676 1 158 . ASP . 50676 1 159 . ARG . 50676 1 160 . GLU . 50676 1 161 . THR . 50676 1 162 . ALA . 50676 1 163 . ALA . 50676 1 164 . SER . 50676 1 165 . LEU . 50676 1 166 . LEU . 50676 1 167 . GLN . 50676 1 168 . ALA . 50676 1 169 . GLY . 50676 1 170 . TYR . 50676 1 171 . LYS . 50676 1 172 . GLY . 50676 1 173 . ARG . 50676 1 174 . VAL . 50676 1 175 . THR . 50676 1 176 . GLY . 50676 1 177 . TRP . 50676 1 178 . GLY . 50676 1 179 . ASN . 50676 1 180 . LEU . 50676 1 181 . LYS . 50676 1 182 . GLU . 50676 1 183 . THR . 50676 1 184 . TRP . 50676 1 185 . THR . 50676 1 186 . ALA . 50676 1 187 . ASN . 50676 1 188 . VAL . 50676 1 189 . GLY . 50676 1 190 . LYS . 50676 1 191 . GLY . 50676 1 192 . GLN . 50676 1 193 . PRO . 50676 1 194 . SER . 50676 1 195 . VAL . 50676 1 196 . LEU . 50676 1 197 . GLN . 50676 1 198 . VAL . 50676 1 199 . VAL . 50676 1 200 . ASN . 50676 1 201 . LEU . 50676 1 202 . PRO . 50676 1 203 . ILE . 50676 1 204 . VAL . 50676 1 205 . GLU . 50676 1 206 . ARG . 50676 1 207 . PRO . 50676 1 208 . VAL . 50676 1 209 . CYS . 50676 1 210 . LYS . 50676 1 211 . ASP . 50676 1 212 . SER . 50676 1 213 . THR . 50676 1 214 . ARG . 50676 1 215 . ILE . 50676 1 216 . ARG . 50676 1 217 . ILE . 50676 1 218 . THR . 50676 1 219 . ASP . 50676 1 220 . ASN . 50676 1 221 . MET . 50676 1 222 . PHE . 50676 1 223 . CYS . 50676 1 224 . ALA . 50676 1 225 . GLY . 50676 1 226 . TYR . 50676 1 227 . LYS . 50676 1 228 . PRO . 50676 1 229 . ASP . 50676 1 230 . GLU . 50676 1 231 . GLY . 50676 1 232 . LYS . 50676 1 233 . ARG . 50676 1 234 . GLY . 50676 1 235 . ASP . 50676 1 236 . ALA . 50676 1 237 . CYS . 50676 1 238 . GLU . 50676 1 239 . GLY . 50676 1 240 . ASP . 50676 1 241 . SER . 50676 1 242 . GLY . 50676 1 243 . GLY . 50676 1 244 . PRO . 50676 1 245 . PHE . 50676 1 246 . VAL . 50676 1 247 . MET . 50676 1 248 . LYS . 50676 1 249 . SER . 50676 1 250 . PRO . 50676 1 251 . PHE . 50676 1 252 . ASN . 50676 1 253 . ASN . 50676 1 254 . ARG . 50676 1 255 . TRP . 50676 1 256 . TYR . 50676 1 257 . GLN . 50676 1 258 . MET . 50676 1 259 . GLY . 50676 1 260 . ILE . 50676 1 261 . VAL . 50676 1 262 . SER . 50676 1 263 . TRP . 50676 1 264 . GLY . 50676 1 265 . GLU . 50676 1 266 . GLY . 50676 1 267 . CYS . 50676 1 268 . ASP . 50676 1 269 . ARG . 50676 1 270 . ASP . 50676 1 271 . GLY . 50676 1 272 . LYS . 50676 1 273 . TYR . 50676 1 274 . GLY . 50676 1 275 . PHE . 50676 1 276 . TYR . 50676 1 277 . THR . 50676 1 278 . HIS . 50676 1 279 . VAL . 50676 1 280 . PHE . 50676 1 281 . ARG . 50676 1 282 . LEU . 50676 1 283 . LYS . 50676 1 284 . LYS . 50676 1 285 . TRP . 50676 1 286 . ILE . 50676 1 287 . GLN . 50676 1 288 . LYS . 50676 1 289 . VAL . 50676 1 290 . ILE . 50676 1 291 . ASP . 50676 1 292 . GLN . 50676 1 293 . PHE . 50676 1 294 . GLY . 50676 1 295 . GLU . 50676 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 50676 1 . PHE 2 2 50676 1 . GLY 3 3 50676 1 . SER 4 4 50676 1 . GLY 5 5 50676 1 . GLU 6 6 50676 1 . ALA 7 7 50676 1 . ASP 8 8 50676 1 . CYS 9 9 50676 1 . GLY 10 10 50676 1 . LEU 11 11 50676 1 . ARG 12 12 50676 1 . PRO 13 13 50676 1 . LEU 14 14 50676 1 . PHE 15 15 50676 1 . GLU 16 16 50676 1 . LYS 17 17 50676 1 . LYS 18 18 50676 1 . SER 19 19 50676 1 . LEU 20 20 50676 1 . GLU 21 21 50676 1 . ASP 22 22 50676 1 . LYS 23 23 50676 1 . THR 24 24 50676 1 . GLU 25 25 50676 1 . ARG 26 26 50676 1 . GLU 27 27 50676 1 . LEU 28 28 50676 1 . LEU 29 29 50676 1 . GLU 30 30 50676 1 . SER 31 31 50676 1 . TYR 32 32 50676 1 . ILE 33 33 50676 1 . ASP 34 34 50676 1 . GLY 35 35 50676 1 . ARG 36 36 50676 1 . ILE 37 37 50676 1 . VAL 38 38 50676 1 . GLU 39 39 50676 1 . GLY 40 40 50676 1 . SER 41 41 50676 1 . ASP 42 42 50676 1 . ALA 43 43 50676 1 . GLU 44 44 50676 1 . ILE 45 45 50676 1 . GLY 46 46 50676 1 . MET 47 47 50676 1 . SER 48 48 50676 1 . PRO 49 49 50676 1 . TRP 50 50 50676 1 . GLN 51 51 50676 1 . VAL 52 52 50676 1 . MET 53 53 50676 1 . LEU 54 54 50676 1 . PHE 55 55 50676 1 . ARG 56 56 50676 1 . LYS 57 57 50676 1 . SER 58 58 50676 1 . PRO 59 59 50676 1 . GLN 60 60 50676 1 . GLU 61 61 50676 1 . LEU 62 62 50676 1 . LEU 63 63 50676 1 . CYS 64 64 50676 1 . GLY 65 65 50676 1 . ALA 66 66 50676 1 . SER 67 67 50676 1 . LEU 68 68 50676 1 . ILE 69 69 50676 1 . SER 70 70 50676 1 . ASP 71 71 50676 1 . ARG 72 72 50676 1 . TRP 73 73 50676 1 . VAL 74 74 50676 1 . LEU 75 75 50676 1 . THR 76 76 50676 1 . ALA 77 77 50676 1 . ALA 78 78 50676 1 . HIS 79 79 50676 1 . CYS 80 80 50676 1 . LEU 81 81 50676 1 . LEU 82 82 50676 1 . TYR 83 83 50676 1 . PRO 84 84 50676 1 . PRO 85 85 50676 1 . TRP 86 86 50676 1 . ASP 87 87 50676 1 . LYS 88 88 50676 1 . ASN 89 89 50676 1 . PHE 90 90 50676 1 . THR 91 91 50676 1 . GLU 92 92 50676 1 . ASN 93 93 50676 1 . ASP 94 94 50676 1 . LEU 95 95 50676 1 . LEU 96 96 50676 1 . VAL 97 97 50676 1 . ARG 98 98 50676 1 . ILE 99 99 50676 1 . GLY 100 100 50676 1 . LYS 101 101 50676 1 . HIS 102 102 50676 1 . SER 103 103 50676 1 . ARG 104 104 50676 1 . THR 105 105 50676 1 . ARG 106 106 50676 1 . TYR 107 107 50676 1 . GLU 108 108 50676 1 . ARG 109 109 50676 1 . ASN 110 110 50676 1 . ILE 111 111 50676 1 . GLU 112 112 50676 1 . LYS 113 113 50676 1 . ILE 114 114 50676 1 . SER 115 115 50676 1 . MET 116 116 50676 1 . LEU 117 117 50676 1 . GLU 118 118 50676 1 . LYS 119 119 50676 1 . ILE 120 120 50676 1 . TYR 121 121 50676 1 . ILE 122 122 50676 1 . HIS 123 123 50676 1 . PRO 124 124 50676 1 . ARG 125 125 50676 1 . TYR 126 126 50676 1 . ASN 127 127 50676 1 . TRP 128 128 50676 1 . ARG 129 129 50676 1 . GLU 130 130 50676 1 . ASN 131 131 50676 1 . LEU 132 132 50676 1 . ASP 133 133 50676 1 . ARG 134 134 50676 1 . ASP 135 135 50676 1 . ILE 136 136 50676 1 . ALA 137 137 50676 1 . LEU 138 138 50676 1 . MET 139 139 50676 1 . LYS 140 140 50676 1 . LEU 141 141 50676 1 . LYS 142 142 50676 1 . LYS 143 143 50676 1 . PRO 144 144 50676 1 . VAL 145 145 50676 1 . ALA 146 146 50676 1 . PHE 147 147 50676 1 . SER 148 148 50676 1 . ASP 149 149 50676 1 . TYR 150 150 50676 1 . ILE 151 151 50676 1 . HIS 152 152 50676 1 . PRO 153 153 50676 1 . VAL 154 154 50676 1 . CYS 155 155 50676 1 . LEU 156 156 50676 1 . PRO 157 157 50676 1 . ASP 158 158 50676 1 . ARG 159 159 50676 1 . GLU 160 160 50676 1 . THR 161 161 50676 1 . ALA 162 162 50676 1 . ALA 163 163 50676 1 . SER 164 164 50676 1 . LEU 165 165 50676 1 . LEU 166 166 50676 1 . GLN 167 167 50676 1 . ALA 168 168 50676 1 . GLY 169 169 50676 1 . TYR 170 170 50676 1 . LYS 171 171 50676 1 . GLY 172 172 50676 1 . ARG 173 173 50676 1 . VAL 174 174 50676 1 . THR 175 175 50676 1 . GLY 176 176 50676 1 . TRP 177 177 50676 1 . GLY 178 178 50676 1 . ASN 179 179 50676 1 . LEU 180 180 50676 1 . LYS 181 181 50676 1 . GLU 182 182 50676 1 . THR 183 183 50676 1 . TRP 184 184 50676 1 . THR 185 185 50676 1 . ALA 186 186 50676 1 . ASN 187 187 50676 1 . VAL 188 188 50676 1 . GLY 189 189 50676 1 . LYS 190 190 50676 1 . GLY 191 191 50676 1 . GLN 192 192 50676 1 . PRO 193 193 50676 1 . SER 194 194 50676 1 . VAL 195 195 50676 1 . LEU 196 196 50676 1 . GLN 197 197 50676 1 . VAL 198 198 50676 1 . VAL 199 199 50676 1 . ASN 200 200 50676 1 . LEU 201 201 50676 1 . PRO 202 202 50676 1 . ILE 203 203 50676 1 . VAL 204 204 50676 1 . GLU 205 205 50676 1 . ARG 206 206 50676 1 . PRO 207 207 50676 1 . VAL 208 208 50676 1 . CYS 209 209 50676 1 . LYS 210 210 50676 1 . ASP 211 211 50676 1 . SER 212 212 50676 1 . THR 213 213 50676 1 . ARG 214 214 50676 1 . ILE 215 215 50676 1 . ARG 216 216 50676 1 . ILE 217 217 50676 1 . THR 218 218 50676 1 . ASP 219 219 50676 1 . ASN 220 220 50676 1 . MET 221 221 50676 1 . PHE 222 222 50676 1 . CYS 223 223 50676 1 . ALA 224 224 50676 1 . GLY 225 225 50676 1 . TYR 226 226 50676 1 . LYS 227 227 50676 1 . PRO 228 228 50676 1 . ASP 229 229 50676 1 . GLU 230 230 50676 1 . GLY 231 231 50676 1 . LYS 232 232 50676 1 . ARG 233 233 50676 1 . GLY 234 234 50676 1 . ASP 235 235 50676 1 . ALA 236 236 50676 1 . CYS 237 237 50676 1 . GLU 238 238 50676 1 . GLY 239 239 50676 1 . ASP 240 240 50676 1 . SER 241 241 50676 1 . GLY 242 242 50676 1 . GLY 243 243 50676 1 . PRO 244 244 50676 1 . PHE 245 245 50676 1 . VAL 246 246 50676 1 . MET 247 247 50676 1 . LYS 248 248 50676 1 . SER 249 249 50676 1 . PRO 250 250 50676 1 . PHE 251 251 50676 1 . ASN 252 252 50676 1 . ASN 253 253 50676 1 . ARG 254 254 50676 1 . TRP 255 255 50676 1 . TYR 256 256 50676 1 . GLN 257 257 50676 1 . MET 258 258 50676 1 . GLY 259 259 50676 1 . ILE 260 260 50676 1 . VAL 261 261 50676 1 . SER 262 262 50676 1 . TRP 263 263 50676 1 . GLY 264 264 50676 1 . GLU 265 265 50676 1 . GLY 266 266 50676 1 . CYS 267 267 50676 1 . ASP 268 268 50676 1 . ARG 269 269 50676 1 . ASP 270 270 50676 1 . GLY 271 271 50676 1 . LYS 272 272 50676 1 . TYR 273 273 50676 1 . GLY 274 274 50676 1 . PHE 275 275 50676 1 . TYR 276 276 50676 1 . THR 277 277 50676 1 . HIS 278 278 50676 1 . VAL 279 279 50676 1 . PHE 280 280 50676 1 . ARG 281 281 50676 1 . LEU 282 282 50676 1 . LYS 283 283 50676 1 . LYS 284 284 50676 1 . TRP 285 285 50676 1 . ILE 286 286 50676 1 . GLN 287 287 50676 1 . LYS 288 288 50676 1 . VAL 289 289 50676 1 . ILE 290 290 50676 1 . ASP 291 291 50676 1 . GLN 292 292 50676 1 . PHE 293 293 50676 1 . GLY 294 294 50676 1 . GLU 295 295 50676 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 50676 _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 . . . . . . . . . . . . . 50676 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 50676 _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 . . . 50676 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50676 _Sample.ID 1 _Sample.Name PPACK-thrombin _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 . . . . 50676 1 2 D-Phe-Pro-Arg-chloromethylketone 'natural abundance' . . . . . . 0.12 . . M . . . . 50676 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 50676 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 50676 _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 50676 1 pH 6.5 . pH 50676 1 pressure 1 . atm 50676 1 temperature 298 . K 50676 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50676 _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' . 50676 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 50676 _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 50676 _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 50676 _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 . . . . . . . . . . . . . . . . . 50676 1 2 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50676 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50676 1 4 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50676 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50676 1 6 '3D HN(CA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50676 1 7 '3D 15N-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50676 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 50676 _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 . . . . . . 50676 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1 . . . . . 50676 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect . . . . . . 50676 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 50676 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name PPACK-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' . . . 50676 1 2 '3D HN(CA)CO' . . . 50676 1 3 '3D HN(CO)CA' . . . 50676 1 4 '3D HN(COCA)CB' . . . 50676 1 5 '3D HNCA' . . . 50676 1 6 '3D HN(CA)CB' . . . 50676 1 7 '3D 15N-separated NOESY' . . . 50676 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 . . 50676 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 13 176.378 . . . . . . . . 2 PHE C . 50676 1 2 . 1 . 1 2 2 PHE CA C 13 59.038 . . . . . . . . 2 PHE CA . 50676 1 3 . 1 . 1 2 2 PHE CB C 13 38.863 . . . . . . . . 2 PHE CB . 50676 1 4 . 1 . 1 3 3 GLY H H 1 8.568 . . . . . . . . 3 GLY H . 50676 1 5 . 1 . 1 3 3 GLY C C 13 174.584 . . . . . . . . 3 GLY C . 50676 1 6 . 1 . 1 3 3 GLY CA C 13 44.749 . . . . . . . . 3 GLY CA . 50676 1 7 . 1 . 1 3 3 GLY N N 15 110.919 . . . . . . . . 3 GLY N . 50676 1 8 . 1 . 1 4 4 SER H H 1 8.272 . . . . . . . . 4 SER H . 50676 1 9 . 1 . 1 4 4 SER C C 13 175.087 . . . . . . . . 4 SER C . 50676 1 10 . 1 . 1 4 4 SER CA C 13 58.559 . . . . . . . . 4 SER CA . 50676 1 11 . 1 . 1 4 4 SER CB C 13 63.314 . . . . . . . . 4 SER CB . 50676 1 12 . 1 . 1 4 4 SER N N 15 117.42 . . . . . . . . 4 SER N . 50676 1 13 . 1 . 1 5 5 GLY H H 1 8.389 . . . . . . . . 5 GLY H . 50676 1 14 . 1 . 1 5 5 GLY C C 13 174.315 . . . . . . . . 5 GLY C . 50676 1 15 . 1 . 1 5 5 GLY CA C 13 45.026 . . . . . . . . 5 GLY CA . 50676 1 16 . 1 . 1 5 5 GLY N N 15 110.788 . . . . . . . . 5 GLY N . 50676 1 17 . 1 . 1 6 6 GLU H H 1 8.273 . . . . . . . . 6 GLU H . 50676 1 18 . 1 . 1 6 6 GLU C C 13 177.717 . . . . . . . . 6 GLU C . 50676 1 19 . 1 . 1 6 6 GLU CA C 13 57.134 . . . . . . . . 6 GLU CA . 50676 1 20 . 1 . 1 6 6 GLU CB C 13 29.197 . . . . . . . . 6 GLU CB . 50676 1 21 . 1 . 1 6 6 GLU N N 15 120.882 . . . . . . . . 6 GLU N . 50676 1 22 . 1 . 1 7 7 ALA H H 1 8.37 . . . . . . . . 7 ALA H . 50676 1 23 . 1 . 1 7 7 ALA C C 13 178.185 . . . . . . . . 7 ALA C . 50676 1 24 . 1 . 1 7 7 ALA CA C 13 53.528 . . . . . . . . 7 ALA CA . 50676 1 25 . 1 . 1 7 7 ALA CB C 13 17.832 . . . . . . . . 7 ALA CB . 50676 1 26 . 1 . 1 7 7 ALA N N 15 123.922 . . . . . . . . 7 ALA N . 50676 1 27 . 1 . 1 8 8 ASP H H 1 8.24 . . . . . . . . 8 ASP H . 50676 1 28 . 1 . 1 8 8 ASP C C 13 176.525 . . . . . . . . 8 ASP C . 50676 1 29 . 1 . 1 8 8 ASP CA C 13 52.856 . . . . . . . . 8 ASP CA . 50676 1 30 . 1 . 1 8 8 ASP CB C 13 40.43 . . . . . . . . 8 ASP CB . 50676 1 31 . 1 . 1 8 8 ASP N N 15 118.148 . . . . . . . . 8 ASP N . 50676 1 32 . 1 . 1 9 9 CYS H H 1 7.726 . . . . . . . . 9 CYS H . 50676 1 33 . 1 . 1 9 9 CYS C C 13 175.089 . . . . . . . . 9 CYS C . 50676 1 34 . 1 . 1 9 9 CYS CA C 13 54.947 . . . . . . . . 9 CYS CA . 50676 1 35 . 1 . 1 9 9 CYS CB C 13 41.997 . . . . . . . . 9 CYS CB . 50676 1 36 . 1 . 1 9 9 CYS N N 15 118.266 . . . . . . . . 9 CYS N . 50676 1 37 . 1 . 1 10 10 GLY H H 1 9.168 . . . . . . . . 10 GLY H . 50676 1 38 . 1 . 1 10 10 GLY C C 13 172.386 . . . . . . . . 10 GLY C . 50676 1 39 . 1 . 1 10 10 GLY CA C 13 47.74 . . . . . . . . 10 GLY CA . 50676 1 40 . 1 . 1 10 10 GLY N N 15 104.591 . . . . . . . . 10 GLY N . 50676 1 41 . 1 . 1 11 11 LEU H H 1 7.206 . . . . . . . . 11 LEU H . 50676 1 42 . 1 . 1 11 11 LEU C C 13 175.026 . . . . . . . . 11 LEU C . 50676 1 43 . 1 . 1 11 11 LEU CA C 13 52.465 . . . . . . . . 11 LEU CA . 50676 1 44 . 1 . 1 11 11 LEU CB C 13 42.335 . . . . . . . . 11 LEU CB . 50676 1 45 . 1 . 1 11 11 LEU N N 15 120 . . . . . . . . 11 LEU N . 50676 1 46 . 1 . 1 12 12 ARG H H 1 8.701 . . . . . . . . 12 ARG H . 50676 1 47 . 1 . 1 12 12 ARG C C 13 176.527 . . . . . . . . 12 ARG C . 50676 1 48 . 1 . 1 12 12 ARG CA C 13 54.287 . . . . . . . . 12 ARG CA . 50676 1 49 . 1 . 1 12 12 ARG CB C 13 26.775 . . . . . . . . 12 ARG CB . 50676 1 50 . 1 . 1 12 12 ARG N N 15 120.714 . . . . . . . . 12 ARG N . 50676 1 51 . 1 . 1 13 13 PRO C C 13 176.992 . . . . . . . . 13 PRO C . 50676 1 52 . 1 . 1 13 13 PRO CA C 13 64.813 . . . . . . . . 13 PRO CA . 50676 1 53 . 1 . 1 13 13 PRO CB C 13 33.065 . . . . . . . . 13 PRO CB . 50676 1 54 . 1 . 1 14 14 LEU H H 1 7.76 . . . . . . . . 14 LEU H . 50676 1 55 . 1 . 1 14 14 LEU C C 13 174.505 . . . . . . . . 14 LEU C . 50676 1 56 . 1 . 1 14 14 LEU CA C 13 53.883 . . . . . . . . 14 LEU CA . 50676 1 57 . 1 . 1 14 14 LEU CB C 13 39.92 . . . . . . . . 14 LEU CB . 50676 1 58 . 1 . 1 14 14 LEU N N 15 109.639 . . . . . . . . 14 LEU N . 50676 1 59 . 1 . 1 15 15 PHE H H 1 7.062 . . . . . . . . 15 PHE H . 50676 1 60 . 1 . 1 15 15 PHE C C 13 176.574 . . . . . . . . 15 PHE C . 50676 1 61 . 1 . 1 15 15 PHE CA C 13 58.672 . . . . . . . . 15 PHE CA . 50676 1 62 . 1 . 1 15 15 PHE CB C 13 39.484 . . . . . . . . 15 PHE CB . 50676 1 63 . 1 . 1 15 15 PHE N N 15 113.579 . . . . . . . . 15 PHE N . 50676 1 64 . 1 . 1 16 16 GLU H H 1 8.992 . . . . . . . . 16 GLU H . 50676 1 65 . 1 . 1 16 16 GLU C C 13 180.279 . . . . . . . . 16 GLU C . 50676 1 66 . 1 . 1 16 16 GLU CA C 13 62.877 . . . . . . . . 16 GLU CA . 50676 1 67 . 1 . 1 16 16 GLU CB C 13 28.375 . . . . . . . . 16 GLU CB . 50676 1 68 . 1 . 1 16 16 GLU N N 15 125.819 . . . . . . . . 16 GLU N . 50676 1 69 . 1 . 1 17 17 LYS H H 1 7.75 . . . . . . . . 17 LYS H . 50676 1 70 . 1 . 1 17 17 LYS C C 13 176.642 . . . . . . . . 17 LYS C . 50676 1 71 . 1 . 1 17 17 LYS CA C 13 58.362 . . . . . . . . 17 LYS CA . 50676 1 72 . 1 . 1 17 17 LYS CB C 13 30.443 . . . . . . . . 17 LYS CB . 50676 1 73 . 1 . 1 17 17 LYS N N 15 113.697 . . . . . . . . 17 LYS N . 50676 1 74 . 1 . 1 18 18 LYS H H 1 7.193 . . . . . . . . 18 LYS H . 50676 1 75 . 1 . 1 18 18 LYS C C 13 174.732 . . . . . . . . 18 LYS C . 50676 1 76 . 1 . 1 18 18 LYS CA C 13 54.71 . . . . . . . . 18 LYS CA . 50676 1 77 . 1 . 1 18 18 LYS CB C 13 32.583 . . . . . . . . 18 LYS CB . 50676 1 78 . 1 . 1 18 18 LYS N N 15 116.891 . . . . . . . . 18 LYS N . 50676 1 79 . 1 . 1 19 19 SER H H 1 7.663 . . . . . . . . 19 SER H . 50676 1 80 . 1 . 1 19 19 SER C C 13 173.11 . . . . . . . . 19 SER C . 50676 1 81 . 1 . 1 19 19 SER CA C 13 58.744 . . . . . . . . 19 SER CA . 50676 1 82 . 1 . 1 19 19 SER CB C 13 60.95 . . . . . . . . 19 SER CB . 50676 1 83 . 1 . 1 19 19 SER N N 15 112.417 . . . . . . . . 19 SER N . 50676 1 84 . 1 . 1 20 20 LEU H H 1 7.837 . . . . . . . . 20 LEU H . 50676 1 85 . 1 . 1 20 20 LEU C C 13 176.393 . . . . . . . . 20 LEU C . 50676 1 86 . 1 . 1 20 20 LEU CA C 13 52.735 . . . . . . . . 20 LEU CA . 50676 1 87 . 1 . 1 20 20 LEU CB C 13 43.844 . . . . . . . . 20 LEU CB . 50676 1 88 . 1 . 1 20 20 LEU N N 15 120.38 . . . . . . . . 20 LEU N . 50676 1 89 . 1 . 1 21 21 GLU H H 1 8.423 . . . . . . . . 21 GLU H . 50676 1 90 . 1 . 1 21 21 GLU C C 13 177.431 . . . . . . . . 21 GLU C . 50676 1 91 . 1 . 1 21 21 GLU CA C 13 54.39 . . . . . . . . 21 GLU CA . 50676 1 92 . 1 . 1 21 21 GLU CB C 13 31.411 . . . . . . . . 21 GLU CB . 50676 1 93 . 1 . 1 21 21 GLU N N 15 121.932 . . . . . . . . 21 GLU N . 50676 1 94 . 1 . 1 22 22 ASP H H 1 9.7 . . . . . . . . 22 ASP H . 50676 1 95 . 1 . 1 22 22 ASP C C 13 176.821 . . . . . . . . 22 ASP C . 50676 1 96 . 1 . 1 22 22 ASP CA C 13 53.085 . . . . . . . . 22 ASP CA . 50676 1 97 . 1 . 1 22 22 ASP CB C 13 40.203 . . . . . . . . 22 ASP CB . 50676 1 98 . 1 . 1 22 22 ASP N N 15 125.442 . . . . . . . . 22 ASP N . 50676 1 99 . 1 . 1 23 23 LYS H H 1 10.046 . . . . . . . . 23 LYS H . 50676 1 100 . 1 . 1 23 23 LYS C C 13 178.651 . . . . . . . . 23 LYS C . 50676 1 101 . 1 . 1 23 23 LYS CA C 13 59.159 . . . . . . . . 23 LYS CA . 50676 1 102 . 1 . 1 23 23 LYS CB C 13 32.605 . . . . . . . . 23 LYS CB . 50676 1 103 . 1 . 1 23 23 LYS N N 15 117.466 . . . . . . . . 23 LYS N . 50676 1 104 . 1 . 1 24 24 THR H H 1 8.104 . . . . . . . . 24 THR H . 50676 1 105 . 1 . 1 24 24 THR C C 13 175.833 . . . . . . . . 24 THR C . 50676 1 106 . 1 . 1 24 24 THR CA C 13 60.627 . . . . . . . . 24 THR CA . 50676 1 107 . 1 . 1 24 24 THR CB C 13 69.602 . . . . . . . . 24 THR CB . 50676 1 108 . 1 . 1 24 24 THR N N 15 104.328 . . . . . . . . 24 THR N . 50676 1 109 . 1 . 1 25 25 GLU H H 1 8.079 . . . . . . . . 25 GLU H . 50676 1 110 . 1 . 1 25 25 GLU C C 13 178.028 . . . . . . . . 25 GLU C . 50676 1 111 . 1 . 1 25 25 GLU CA C 13 59.693 . . . . . . . . 25 GLU CA . 50676 1 112 . 1 . 1 25 25 GLU CB C 13 28.927 . . . . . . . . 25 GLU CB . 50676 1 113 . 1 . 1 25 25 GLU N N 15 123.272 . . . . . . . . 25 GLU N . 50676 1 114 . 1 . 1 26 26 ARG H H 1 8.908 . . . . . . . . 26 ARG H . 50676 1 115 . 1 . 1 26 26 ARG C C 13 177.504 . . . . . . . . 26 ARG C . 50676 1 116 . 1 . 1 26 26 ARG CA C 13 58.635 . . . . . . . . 26 ARG CA . 50676 1 117 . 1 . 1 26 26 ARG CB C 13 27.749 . . . . . . . . 26 ARG CB . 50676 1 118 . 1 . 1 26 26 ARG N N 15 122.793 . . . . . . . . 26 ARG N . 50676 1 119 . 1 . 1 27 27 GLU H H 1 7.552 . . . . . . . . 27 GLU H . 50676 1 120 . 1 . 1 27 27 GLU C C 13 179.847 . . . . . . . . 27 GLU C . 50676 1 121 . 1 . 1 27 27 GLU CA C 13 57.983 . . . . . . . . 27 GLU CA . 50676 1 122 . 1 . 1 27 27 GLU CB C 13 28.293 . . . . . . . . 27 GLU CB . 50676 1 123 . 1 . 1 27 27 GLU N N 15 118.76 . . . . . . . . 27 GLU N . 50676 1 124 . 1 . 1 28 28 LEU H H 1 7.092 . . . . . . . . 28 LEU H . 50676 1 125 . 1 . 1 28 28 LEU C C 13 178.555 . . . . . . . . 28 LEU C . 50676 1 126 . 1 . 1 28 28 LEU CA C 13 57.375 . . . . . . . . 28 LEU CA . 50676 1 127 . 1 . 1 28 28 LEU CB C 13 38.261 . . . . . . . . 28 LEU CB . 50676 1 128 . 1 . 1 28 28 LEU N N 15 117.954 . . . . . . . . 28 LEU N . 50676 1 129 . 1 . 1 29 29 LEU H H 1 7.166 . . . . . . . . 29 LEU H . 50676 1 130 . 1 . 1 29 29 LEU C C 13 180.078 . . . . . . . . 29 LEU C . 50676 1 131 . 1 . 1 29 29 LEU CA C 13 56.97 . . . . . . . . 29 LEU CA . 50676 1 132 . 1 . 1 29 29 LEU CB C 13 40.054 . . . . . . . . 29 LEU CB . 50676 1 133 . 1 . 1 29 29 LEU N N 15 120.39 . . . . . . . . 29 LEU N . 50676 1 134 . 1 . 1 30 30 GLU H H 1 8.358 . . . . . . . . 30 GLU H . 50676 1 135 . 1 . 1 30 30 GLU C C 13 177.821 . . . . . . . . 30 GLU C . 50676 1 136 . 1 . 1 30 30 GLU CA C 13 57.723 . . . . . . . . 30 GLU CA . 50676 1 137 . 1 . 1 30 30 GLU CB C 13 28.339 . . . . . . . . 30 GLU CB . 50676 1 138 . 1 . 1 30 30 GLU N N 15 116.857 . . . . . . . . 30 GLU N . 50676 1 139 . 1 . 1 31 31 SER H H 1 7.189 . . . . . . . . 31 SER H . 50676 1 140 . 1 . 1 31 31 SER C C 13 174.079 . . . . . . . . 31 SER C . 50676 1 141 . 1 . 1 31 31 SER CA C 13 59.675 . . . . . . . . 31 SER CA . 50676 1 142 . 1 . 1 31 31 SER CB C 13 63 . . . . . . . . 31 SER CB . 50676 1 143 . 1 . 1 31 31 SER N N 15 115.1 . . . . . . . . 31 SER N . 50676 1 144 . 1 . 1 32 32 TYR H H 1 6.589 . . . . . . . . 32 TYR H . 50676 1 145 . 1 . 1 32 32 TYR C C 13 176.238 . . . . . . . . 32 TYR C . 50676 1 146 . 1 . 1 32 32 TYR CA C 13 53.504 . . . . . . . . 32 TYR CA . 50676 1 147 . 1 . 1 32 32 TYR CB C 13 34.642 . . . . . . . . 32 TYR CB . 50676 1 148 . 1 . 1 32 32 TYR N N 15 121.282 . . . . . . . . 32 TYR N . 50676 1 149 . 1 . 1 33 33 ILE H H 1 7.158 . . . . . . . . 33 ILE H . 50676 1 150 . 1 . 1 33 33 ILE C C 13 176.155 . . . . . . . . 33 ILE C . 50676 1 151 . 1 . 1 33 33 ILE CA C 13 60.877 . . . . . . . . 33 ILE CA . 50676 1 152 . 1 . 1 33 33 ILE CB C 13 38.208 . . . . . . . . 33 ILE CB . 50676 1 153 . 1 . 1 33 33 ILE N N 15 119.035 . . . . . . . . 33 ILE N . 50676 1 154 . 1 . 1 34 34 ASP H H 1 8.283 . . . . . . . . 34 ASP H . 50676 1 155 . 1 . 1 34 34 ASP C C 13 176.8 . . . . . . . . 34 ASP C . 50676 1 156 . 1 . 1 34 34 ASP CA C 13 54.172 . . . . . . . . 34 ASP CA . 50676 1 157 . 1 . 1 34 34 ASP CB C 13 40.781 . . . . . . . . 34 ASP CB . 50676 1 158 . 1 . 1 34 34 ASP N N 15 124.327 . . . . . . . . 34 ASP N . 50676 1 159 . 1 . 1 35 35 GLY H H 1 8.352 . . . . . . . . 35 GLY H . 50676 1 160 . 1 . 1 35 35 GLY C C 13 173.506 . . . . . . . . 35 GLY C . 50676 1 161 . 1 . 1 35 35 GLY CA C 13 45.322 . . . . . . . . 35 GLY CA . 50676 1 162 . 1 . 1 35 35 GLY N N 15 110.703 . . . . . . . . 35 GLY N . 50676 1 163 . 1 . 1 36 36 ARG H H 1 7.764 . . . . . . . . 36 ARG H . 50676 1 164 . 1 . 1 36 36 ARG C C 13 181.252 . . . . . . . . 36 ARG C . 50676 1 165 . 1 . 1 36 36 ARG CA C 13 57.19 . . . . . . . . 36 ARG CA . 50676 1 166 . 1 . 1 36 36 ARG CB C 13 30.202 . . . . . . . . 36 ARG CB . 50676 1 167 . 1 . 1 36 36 ARG N N 15 126.052 . . . . . . . . 36 ARG N . 50676 1 168 . 1 . 1 37 37 ILE C C 13 171.593 . . . . . . . . 37 ILE C . 50676 1 169 . 1 . 1 37 37 ILE CA C 13 56.593 . . . . . . . . 37 ILE CA . 50676 1 170 . 1 . 1 37 37 ILE CB C 13 36.345 . . . . . . . . 37 ILE CB . 50676 1 171 . 1 . 1 38 38 VAL H H 1 9.047 . . . . . . . . 38 VAL H . 50676 1 172 . 1 . 1 38 38 VAL C C 13 174.966 . . . . . . . . 38 VAL C . 50676 1 173 . 1 . 1 38 38 VAL CA C 13 60.064 . . . . . . . . 38 VAL CA . 50676 1 174 . 1 . 1 38 38 VAL CB C 13 32.969 . . . . . . . . 38 VAL CB . 50676 1 175 . 1 . 1 38 38 VAL N N 15 130.546 . . . . . . . . 38 VAL N . 50676 1 176 . 1 . 1 39 39 GLU H H 1 9.264 . . . . . . . . 39 GLU H . 50676 1 177 . 1 . 1 39 39 GLU C C 13 175.472 . . . . . . . . 39 GLU C . 50676 1 178 . 1 . 1 39 39 GLU CA C 13 57.119 . . . . . . . . 39 GLU CA . 50676 1 179 . 1 . 1 39 39 GLU CB C 13 25.217 . . . . . . . . 39 GLU CB . 50676 1 180 . 1 . 1 39 39 GLU N N 15 120.569 . . . . . . . . 39 GLU N . 50676 1 181 . 1 . 1 40 40 GLY H H 1 7.922 . . . . . . . . 40 GLY H . 50676 1 182 . 1 . 1 40 40 GLY C C 13 172.899 . . . . . . . . 40 GLY C . 50676 1 183 . 1 . 1 40 40 GLY CA C 13 43.749 . . . . . . . . 40 GLY CA . 50676 1 184 . 1 . 1 40 40 GLY N N 15 106.218 . . . . . . . . 40 GLY N . 50676 1 185 . 1 . 1 41 41 SER H H 1 8.459 . . . . . . . . 41 SER H . 50676 1 186 . 1 . 1 41 41 SER C C 13 172.919 . . . . . . . . 41 SER C . 50676 1 187 . 1 . 1 41 41 SER CA C 13 56.038 . . . . . . . . 41 SER CA . 50676 1 188 . 1 . 1 41 41 SER CB C 13 65.928 . . . . . . . . 41 SER CB . 50676 1 189 . 1 . 1 41 41 SER N N 15 112.877 . . . . . . . . 41 SER N . 50676 1 190 . 1 . 1 42 42 ASP H H 1 8.406 . . . . . . . . 42 ASP H . 50676 1 191 . 1 . 1 42 42 ASP C C 13 177.021 . . . . . . . . 42 ASP C . 50676 1 192 . 1 . 1 42 42 ASP CA C 13 54.353 . . . . . . . . 42 ASP CA . 50676 1 193 . 1 . 1 42 42 ASP CB C 13 39.512 . . . . . . . . 42 ASP CB . 50676 1 194 . 1 . 1 42 42 ASP N N 15 121.132 . . . . . . . . 42 ASP N . 50676 1 195 . 1 . 1 43 43 ALA H H 1 8.841 . . . . . . . . 43 ALA H . 50676 1 196 . 1 . 1 43 43 ALA C C 13 177.611 . . . . . . . . 43 ALA C . 50676 1 197 . 1 . 1 43 43 ALA CA C 13 51.311 . . . . . . . . 43 ALA CA . 50676 1 198 . 1 . 1 43 43 ALA CB C 13 18.22 . . . . . . . . 43 ALA CB . 50676 1 199 . 1 . 1 43 43 ALA N N 15 125.802 . . . . . . . . 43 ALA N . 50676 1 200 . 1 . 1 44 44 GLU H H 1 7.251 . . . . . . . . 44 GLU H . 50676 1 201 . 1 . 1 44 44 GLU C C 13 176.898 . . . . . . . . 44 GLU C . 50676 1 202 . 1 . 1 44 44 GLU CA C 13 55.659 . . . . . . . . 44 GLU CA . 50676 1 203 . 1 . 1 44 44 GLU CB C 13 31.474 . . . . . . . . 44 GLU CB . 50676 1 204 . 1 . 1 44 44 GLU N N 15 121.093 . . . . . . . . 44 GLU N . 50676 1 205 . 1 . 1 45 45 ILE H H 1 8.628 . . . . . . . . 45 ILE H . 50676 1 206 . 1 . 1 45 45 ILE C C 13 177.618 . . . . . . . . 45 ILE C . 50676 1 207 . 1 . 1 45 45 ILE CA C 13 61.992 . . . . . . . . 45 ILE CA . 50676 1 208 . 1 . 1 45 45 ILE CB C 13 35.358 . . . . . . . . 45 ILE CB . 50676 1 209 . 1 . 1 45 45 ILE N N 15 125.272 . . . . . . . . 45 ILE N . 50676 1 210 . 1 . 1 46 46 GLY H H 1 9.105 . . . . . . . . 46 GLY H . 50676 1 211 . 1 . 1 46 46 GLY C C 13 175.347 . . . . . . . . 46 GLY C . 50676 1 212 . 1 . 1 46 46 GLY CA C 13 45.126 . . . . . . . . 46 GLY CA . 50676 1 213 . 1 . 1 46 46 GLY N N 15 113.444 . . . . . . . . 46 GLY N . 50676 1 214 . 1 . 1 47 47 MET H H 1 7.577 . . . . . . . . 47 MET H . 50676 1 215 . 1 . 1 47 47 MET C C 13 175.777 . . . . . . . . 47 MET C . 50676 1 216 . 1 . 1 47 47 MET CA C 13 56.509 . . . . . . . . 47 MET CA . 50676 1 217 . 1 . 1 47 47 MET CB C 13 33.561 . . . . . . . . 47 MET CB . 50676 1 218 . 1 . 1 47 47 MET N N 15 117.32 . . . . . . . . 47 MET N . 50676 1 219 . 1 . 1 48 48 SER H H 1 8.882 . . . . . . . . 48 SER H . 50676 1 220 . 1 . 1 48 48 SER N N 15 114.749 . . . . . . . . 48 SER N . 50676 1 221 . 1 . 1 49 49 PRO C C 13 174.223 . . . . . . . . 49 PRO C . 50676 1 222 . 1 . 1 49 49 PRO CA C 13 65.108 . . . . . . . . 49 PRO CA . 50676 1 223 . 1 . 1 49 49 PRO CB C 13 29.275 . . . . . . . . 49 PRO CB . 50676 1 224 . 1 . 1 50 50 TRP H H 1 5.844 . . . . . . . . 50 TRP H . 50676 1 225 . 1 . 1 50 50 TRP C C 13 177.409 . . . . . . . . 50 TRP C . 50676 1 226 . 1 . 1 50 50 TRP CA C 13 53.802 . . . . . . . . 50 TRP CA . 50676 1 227 . 1 . 1 50 50 TRP CB C 13 27.375 . . . . . . . . 50 TRP CB . 50676 1 228 . 1 . 1 50 50 TRP N N 15 118.1 . . . . . . . . 50 TRP N . 50676 1 229 . 1 . 1 51 51 GLN H H 1 8.185 . . . . . . . . 51 GLN H . 50676 1 230 . 1 . 1 51 51 GLN C C 13 176.662 . . . . . . . . 51 GLN C . 50676 1 231 . 1 . 1 51 51 GLN CA C 13 57.843 . . . . . . . . 51 GLN CA . 50676 1 232 . 1 . 1 51 51 GLN N N 15 125.49 . . . . . . . . 51 GLN N . 50676 1 233 . 1 . 1 57 57 LYS C C 13 176.733 . . . . . . . . 57 LYS C . 50676 1 234 . 1 . 1 57 57 LYS CA C 13 59.397 . . . . . . . . 57 LYS CA . 50676 1 235 . 1 . 1 57 57 LYS CB C 13 32.732 . . . . . . . . 57 LYS CB . 50676 1 236 . 1 . 1 58 58 SER H H 1 7.907 . . . . . . . . 58 SER H . 50676 1 237 . 1 . 1 58 58 SER C C 13 172.836 . . . . . . . . 58 SER C . 50676 1 238 . 1 . 1 58 58 SER CA C 13 54.638 . . . . . . . . 58 SER CA . 50676 1 239 . 1 . 1 58 58 SER CB C 13 64.052 . . . . . . . . 58 SER CB . 50676 1 240 . 1 . 1 58 58 SER N N 15 110.989 . . . . . . . . 58 SER N . 50676 1 241 . 1 . 1 63 63 LEU C C 13 177.147 . . . . . . . . 63 LEU C . 50676 1 242 . 1 . 1 63 63 LEU CA C 13 55.106 . . . . . . . . 63 LEU CA . 50676 1 243 . 1 . 1 63 63 LEU CB C 13 43.439 . . . . . . . . 63 LEU CB . 50676 1 244 . 1 . 1 64 64 CYS H H 1 7.668 . . . . . . . . 64 CYS H . 50676 1 245 . 1 . 1 64 64 CYS C C 13 174.27 . . . . . . . . 64 CYS C . 50676 1 246 . 1 . 1 64 64 CYS CA C 13 55.734 . . . . . . . . 64 CYS CA . 50676 1 247 . 1 . 1 64 64 CYS CB C 13 54.377 . . . . . . . . 64 CYS CB . 50676 1 248 . 1 . 1 64 64 CYS N N 15 116.014 . . . . . . . . 64 CYS N . 50676 1 249 . 1 . 1 65 65 GLY H H 1 8.796 . . . . . . . . 65 GLY H . 50676 1 250 . 1 . 1 65 65 GLY C C 13 170.959 . . . . . . . . 65 GLY C . 50676 1 251 . 1 . 1 65 65 GLY CA C 13 43.341 . . . . . . . . 65 GLY CA . 50676 1 252 . 1 . 1 65 65 GLY N N 15 106.659 . . . . . . . . 65 GLY N . 50676 1 253 . 1 . 1 66 66 ALA H H 1 7.921 . . . . . . . . 66 ALA H . 50676 1 254 . 1 . 1 66 66 ALA C C 13 175.518 . . . . . . . . 66 ALA C . 50676 1 255 . 1 . 1 66 66 ALA CA C 13 50.85 . . . . . . . . 66 ALA CA . 50676 1 256 . 1 . 1 66 66 ALA CB C 13 19.54 . . . . . . . . 66 ALA CB . 50676 1 257 . 1 . 1 66 66 ALA N N 15 117.194 . . . . . . . . 66 ALA N . 50676 1 258 . 1 . 1 67 67 SER H H 1 9.716 . . . . . . . . 67 SER H . 50676 1 259 . 1 . 1 67 67 SER C C 13 172.404 . . . . . . . . 67 SER C . 50676 1 260 . 1 . 1 67 67 SER CA C 13 55.551 . . . . . . . . 67 SER CA . 50676 1 261 . 1 . 1 67 67 SER CB C 13 65.835 . . . . . . . . 67 SER CB . 50676 1 262 . 1 . 1 67 67 SER N N 15 114.427 . . . . . . . . 67 SER N . 50676 1 263 . 1 . 1 68 68 LEU H H 1 9.404 . . . . . . . . 68 LEU H . 50676 1 264 . 1 . 1 68 68 LEU C C 13 175.616 . . . . . . . . 68 LEU C . 50676 1 265 . 1 . 1 68 68 LEU CA C 13 54.453 . . . . . . . . 68 LEU CA . 50676 1 266 . 1 . 1 68 68 LEU CB C 13 43.948 . . . . . . . . 68 LEU CB . 50676 1 267 . 1 . 1 68 68 LEU N N 15 126.543 . . . . . . . . 68 LEU N . 50676 1 268 . 1 . 1 69 69 ILE H H 1 8.137 . . . . . . . . 69 ILE H . 50676 1 269 . 1 . 1 69 69 ILE C C 13 175.066 . . . . . . . . 69 ILE C . 50676 1 270 . 1 . 1 69 69 ILE CA C 13 60.917 . . . . . . . . 69 ILE CA . 50676 1 271 . 1 . 1 69 69 ILE CB C 13 38.501 . . . . . . . . 69 ILE CB . 50676 1 272 . 1 . 1 69 69 ILE N N 15 118.097 . . . . . . . . 69 ILE N . 50676 1 273 . 1 . 1 70 70 SER H H 1 8.408 . . . . . . . . 70 SER H . 50676 1 274 . 1 . 1 70 70 SER C C 13 171.782 . . . . . . . . 70 SER C . 50676 1 275 . 1 . 1 70 70 SER CA C 13 57.142 . . . . . . . . 70 SER CA . 50676 1 276 . 1 . 1 70 70 SER CB C 13 63.678 . . . . . . . . 70 SER CB . 50676 1 277 . 1 . 1 70 70 SER N N 15 116.618 . . . . . . . . 70 SER N . 50676 1 278 . 1 . 1 71 71 ASP H H 1 8.854 . . . . . . . . 71 ASP H . 50676 1 279 . 1 . 1 71 71 ASP C C 13 176.046 . . . . . . . . 71 ASP C . 50676 1 280 . 1 . 1 71 71 ASP CA C 13 55.326 . . . . . . . . 71 ASP CA . 50676 1 281 . 1 . 1 71 71 ASP CB C 13 39.228 . . . . . . . . 71 ASP CB . 50676 1 282 . 1 . 1 71 71 ASP N N 15 115.608 . . . . . . . . 71 ASP N . 50676 1 283 . 1 . 1 72 72 ARG H H 1 7.89 . . . . . . . . 72 ARG H . 50676 1 284 . 1 . 1 72 72 ARG C C 13 173.529 . . . . . . . . 72 ARG C . 50676 1 285 . 1 . 1 72 72 ARG CA C 13 53.89 . . . . . . . . 72 ARG CA . 50676 1 286 . 1 . 1 72 72 ARG CB C 13 32.019 . . . . . . . . 72 ARG CB . 50676 1 287 . 1 . 1 72 72 ARG N N 15 114.116 . . . . . . . . 72 ARG N . 50676 1 288 . 1 . 1 73 73 TRP H H 1 7.199 . . . . . . . . 73 TRP H . 50676 1 289 . 1 . 1 73 73 TRP C C 13 174.459 . . . . . . . . 73 TRP C . 50676 1 290 . 1 . 1 73 73 TRP CA C 13 56.413 . . . . . . . . 73 TRP CA . 50676 1 291 . 1 . 1 73 73 TRP CB C 13 32.09 . . . . . . . . 73 TRP CB . 50676 1 292 . 1 . 1 73 73 TRP N N 15 118.873 . . . . . . . . 73 TRP N . 50676 1 293 . 1 . 1 74 74 VAL H H 1 9.096 . . . . . . . . 74 VAL H . 50676 1 294 . 1 . 1 74 74 VAL C C 13 173.9 . . . . . . . . 74 VAL C . 50676 1 295 . 1 . 1 74 74 VAL CA C 13 59.043 . . . . . . . . 74 VAL CA . 50676 1 296 . 1 . 1 74 74 VAL CB C 13 35.026 . . . . . . . . 74 VAL CB . 50676 1 297 . 1 . 1 74 74 VAL N N 15 121.153 . . . . . . . . 74 VAL N . 50676 1 298 . 1 . 1 75 75 LEU H H 1 9.539 . . . . . . . . 75 LEU H . 50676 1 299 . 1 . 1 75 75 LEU C C 13 176.334 . . . . . . . . 75 LEU C . 50676 1 300 . 1 . 1 75 75 LEU CA C 13 53.242 . . . . . . . . 75 LEU CA . 50676 1 301 . 1 . 1 75 75 LEU CB C 13 45.292 . . . . . . . . 75 LEU CB . 50676 1 302 . 1 . 1 75 75 LEU N N 15 129.755 . . . . . . . . 75 LEU N . 50676 1 303 . 1 . 1 76 76 THR H H 1 9.113 . . . . . . . . 76 THR H . 50676 1 304 . 1 . 1 76 76 THR C C 13 172.818 . . . . . . . . 76 THR C . 50676 1 305 . 1 . 1 76 76 THR CA C 13 60.318 . . . . . . . . 76 THR CA . 50676 1 306 . 1 . 1 76 76 THR CB C 13 69.614 . . . . . . . . 76 THR CB . 50676 1 307 . 1 . 1 76 76 THR N N 15 120.149 . . . . . . . . 76 THR N . 50676 1 308 . 1 . 1 77 77 ALA H H 1 8.008 . . . . . . . . 77 ALA H . 50676 1 309 . 1 . 1 77 77 ALA C C 13 177.042 . . . . . . . . 77 ALA C . 50676 1 310 . 1 . 1 77 77 ALA CA C 13 50.06 . . . . . . . . 77 ALA CA . 50676 1 311 . 1 . 1 77 77 ALA CB C 13 18.161 . . . . . . . . 77 ALA CB . 50676 1 312 . 1 . 1 77 77 ALA N N 15 123.03 . . . . . . . . 77 ALA N . 50676 1 313 . 1 . 1 78 78 ALA H H 1 6.412 . . . . . . . . 78 ALA H . 50676 1 314 . 1 . 1 78 78 ALA C C 13 180.413 . . . . . . . . 78 ALA C . 50676 1 315 . 1 . 1 78 78 ALA CA C 13 55.51 . . . . . . . . 78 ALA CA . 50676 1 316 . 1 . 1 78 78 ALA CB C 13 15.521 . . . . . . . . 78 ALA CB . 50676 1 317 . 1 . 1 78 78 ALA N N 15 127.519 . . . . . . . . 78 ALA N . 50676 1 318 . 1 . 1 79 79 HIS H H 1 10.392 . . . . . . . . 79 HIS H . 50676 1 319 . 1 . 1 79 79 HIS C C 13 174.389 . . . . . . . . 79 HIS C . 50676 1 320 . 1 . 1 79 79 HIS CA C 13 58.055 . . . . . . . . 79 HIS CA . 50676 1 321 . 1 . 1 79 79 HIS CB C 13 26.297 . . . . . . . . 79 HIS CB . 50676 1 322 . 1 . 1 79 79 HIS N N 15 116.126 . . . . . . . . 79 HIS N . 50676 1 323 . 1 . 1 80 80 CYS H H 1 6.803 . . . . . . . . 80 CYS H . 50676 1 324 . 1 . 1 80 80 CYS C C 13 173.127 . . . . . . . . 80 CYS C . 50676 1 325 . 1 . 1 80 80 CYS CA C 13 59.285 . . . . . . . . 80 CYS CA . 50676 1 326 . 1 . 1 80 80 CYS CB C 13 44.253 . . . . . . . . 80 CYS CB . 50676 1 327 . 1 . 1 80 80 CYS N N 15 116.582 . . . . . . . . 80 CYS N . 50676 1 328 . 1 . 1 81 81 LEU H H 1 7.38 . . . . . . . . 81 LEU H . 50676 1 329 . 1 . 1 81 81 LEU C C 13 174.625 . . . . . . . . 81 LEU C . 50676 1 330 . 1 . 1 81 81 LEU CA C 13 54.847 . . . . . . . . 81 LEU CA . 50676 1 331 . 1 . 1 81 81 LEU CB C 13 42.119 . . . . . . . . 81 LEU CB . 50676 1 332 . 1 . 1 81 81 LEU N N 15 116.743 . . . . . . . . 81 LEU N . 50676 1 333 . 1 . 1 82 82 LEU H H 1 8.093 . . . . . . . . 82 LEU H . 50676 1 334 . 1 . 1 82 82 LEU C C 13 174.686 . . . . . . . . 82 LEU C . 50676 1 335 . 1 . 1 82 82 LEU CA C 13 53.223 . . . . . . . . 82 LEU CA . 50676 1 336 . 1 . 1 82 82 LEU CB C 13 43.04 . . . . . . . . 82 LEU CB . 50676 1 337 . 1 . 1 82 82 LEU N N 15 119.512 . . . . . . . . 82 LEU N . 50676 1 338 . 1 . 1 83 83 TYR H H 1 9.202 . . . . . . . . 83 TYR H . 50676 1 339 . 1 . 1 83 83 TYR C C 13 171.284 . . . . . . . . 83 TYR C . 50676 1 340 . 1 . 1 83 83 TYR CA C 13 57.876 . . . . . . . . 83 TYR CA . 50676 1 341 . 1 . 1 83 83 TYR CB C 13 36.639 . . . . . . . . 83 TYR CB . 50676 1 342 . 1 . 1 83 83 TYR N N 15 125.674 . . . . . . . . 83 TYR N . 50676 1 343 . 1 . 1 85 85 PRO CA C 13 176.857 . . . . . . . . 85 PRO CA . 50676 1 344 . 1 . 1 85 85 PRO CB C 13 65.314 . . . . . . . . 85 PRO CB . 50676 1 345 . 1 . 1 85 85 PRO N N 15 29.221 . . . . . . . . 85 PRO N . 50676 1 346 . 1 . 1 86 86 TRP H H 1 7.062 . . . . . . . . 86 TRP H . 50676 1 347 . 1 . 1 86 86 TRP C C 13 174.835 . . . . . . . . 86 TRP C . 50676 1 348 . 1 . 1 86 86 TRP CA C 13 52.582 . . . . . . . . 86 TRP CA . 50676 1 349 . 1 . 1 86 86 TRP CB C 13 30.128 . . . . . . . . 86 TRP CB . 50676 1 350 . 1 . 1 86 86 TRP N N 15 113.579 . . . . . . . . 86 TRP N . 50676 1 351 . 1 . 1 87 87 ASP H H 1 8.569 . . . . . . . . 87 ASP H . 50676 1 352 . 1 . 1 87 87 ASP C C 13 174.218 . . . . . . . . 87 ASP C . 50676 1 353 . 1 . 1 87 87 ASP CA C 13 54.837 . . . . . . . . 87 ASP CA . 50676 1 354 . 1 . 1 87 87 ASP CB C 13 38.858 . . . . . . . . 87 ASP CB . 50676 1 355 . 1 . 1 87 87 ASP N N 15 119.156 . . . . . . . . 87 ASP N . 50676 1 356 . 1 . 1 88 88 LYS H H 1 6.656 . . . . . . . . 88 LYS H . 50676 1 357 . 1 . 1 88 88 LYS C C 13 175.574 . . . . . . . . 88 LYS C . 50676 1 358 . 1 . 1 88 88 LYS CA C 13 53.673 . . . . . . . . 88 LYS CA . 50676 1 359 . 1 . 1 88 88 LYS CB C 13 31.384 . . . . . . . . 88 LYS CB . 50676 1 360 . 1 . 1 88 88 LYS N N 15 115.801 . . . . . . . . 88 LYS N . 50676 1 361 . 1 . 1 89 89 ASN H H 1 8.178 . . . . . . . . 89 ASN H . 50676 1 362 . 1 . 1 89 89 ASN C C 13 173.291 . . . . . . . . 89 ASN C . 50676 1 363 . 1 . 1 89 89 ASN CA C 13 52.35 . . . . . . . . 89 ASN CA . 50676 1 364 . 1 . 1 89 89 ASN CB C 13 37.097 . . . . . . . . 89 ASN CB . 50676 1 365 . 1 . 1 89 89 ASN N N 15 127.44 . . . . . . . . 89 ASN N . 50676 1 366 . 1 . 1 90 90 PHE H H 1 8.635 . . . . . . . . 90 PHE H . 50676 1 367 . 1 . 1 90 90 PHE C C 13 175.526 . . . . . . . . 90 PHE C . 50676 1 368 . 1 . 1 90 90 PHE CA C 13 57.382 . . . . . . . . 90 PHE CA . 50676 1 369 . 1 . 1 90 90 PHE CB C 13 40.917 . . . . . . . . 90 PHE CB . 50676 1 370 . 1 . 1 90 90 PHE N N 15 122.409 . . . . . . . . 90 PHE N . 50676 1 371 . 1 . 1 91 91 THR H H 1 9.171 . . . . . . . . 91 THR H . 50676 1 372 . 1 . 1 91 91 THR C C 13 175.724 . . . . . . . . 91 THR C . 50676 1 373 . 1 . 1 91 91 THR CA C 13 59.439 . . . . . . . . 91 THR CA . 50676 1 374 . 1 . 1 91 91 THR CB C 13 71.434 . . . . . . . . 91 THR CB . 50676 1 375 . 1 . 1 91 91 THR N N 15 111.327 . . . . . . . . 91 THR N . 50676 1 376 . 1 . 1 92 92 GLU H H 1 10.018 . . . . . . . . 92 GLU H . 50676 1 377 . 1 . 1 92 92 GLU C C 13 177.041 . . . . . . . . 92 GLU C . 50676 1 378 . 1 . 1 92 92 GLU CA C 13 60.326 . . . . . . . . 92 GLU CA . 50676 1 379 . 1 . 1 92 92 GLU CB C 13 26.98 . . . . . . . . 92 GLU CB . 50676 1 380 . 1 . 1 92 92 GLU N N 15 118.768 . . . . . . . . 92 GLU N . 50676 1 381 . 1 . 1 93 93 ASN H H 1 8.063 . . . . . . . . 93 ASN H . 50676 1 382 . 1 . 1 93 93 ASN C C 13 175.89 . . . . . . . . 93 ASN C . 50676 1 383 . 1 . 1 93 93 ASN CA C 13 54.048 . . . . . . . . 93 ASN CA . 50676 1 384 . 1 . 1 93 93 ASN CB C 13 38.331 . . . . . . . . 93 ASN CB . 50676 1 385 . 1 . 1 93 93 ASN N N 15 114.912 . . . . . . . . 93 ASN N . 50676 1 386 . 1 . 1 94 94 ASP H H 1 7.836 . . . . . . . . 94 ASP H . 50676 1 387 . 1 . 1 94 94 ASP C C 13 176.322 . . . . . . . . 94 ASP C . 50676 1 388 . 1 . 1 94 94 ASP CA C 13 55.451 . . . . . . . . 94 ASP CA . 50676 1 389 . 1 . 1 94 94 ASP CB C 13 43.579 . . . . . . . . 94 ASP CB . 50676 1 390 . 1 . 1 94 94 ASP N N 15 116.254 . . . . . . . . 94 ASP N . 50676 1 391 . 1 . 1 95 95 LEU H H 1 6.837 . . . . . . . . 95 LEU H . 50676 1 392 . 1 . 1 95 95 LEU C C 13 173.846 . . . . . . . . 95 LEU C . 50676 1 393 . 1 . 1 95 95 LEU CA C 13 53.632 . . . . . . . . 95 LEU CA . 50676 1 394 . 1 . 1 95 95 LEU CB C 13 46.43 . . . . . . . . 95 LEU CB . 50676 1 395 . 1 . 1 95 95 LEU N N 15 118.105 . . . . . . . . 95 LEU N . 50676 1 396 . 1 . 1 96 96 LEU H H 1 8.944 . . . . . . . . 96 LEU H . 50676 1 397 . 1 . 1 96 96 LEU C C 13 175.28 . . . . . . . . 96 LEU C . 50676 1 398 . 1 . 1 96 96 LEU CA C 13 54.097 . . . . . . . . 96 LEU CA . 50676 1 399 . 1 . 1 96 96 LEU CB C 13 44.609 . . . . . . . . 96 LEU CB . 50676 1 400 . 1 . 1 96 96 LEU N N 15 116.745 . . . . . . . . 96 LEU N . 50676 1 401 . 1 . 1 97 97 VAL H H 1 8.494 . . . . . . . . 97 VAL H . 50676 1 402 . 1 . 1 97 97 VAL C C 13 174.669 . . . . . . . . 97 VAL C . 50676 1 403 . 1 . 1 97 97 VAL CA C 13 58.408 . . . . . . . . 97 VAL CA . 50676 1 404 . 1 . 1 97 97 VAL N N 15 112.473 . . . . . . . . 97 VAL N . 50676 1 405 . 1 . 1 112 112 GLU C C 13 175.461 . . . . . . . . 112 GLU C . 50676 1 406 . 1 . 1 112 112 GLU CA C 13 54.859 . . . . . . . . 112 GLU CA . 50676 1 407 . 1 . 1 112 112 GLU CB C 13 32.453 . . . . . . . . 112 GLU CB . 50676 1 408 . 1 . 1 113 113 LYS H H 1 9.016 . . . . . . . . 113 LYS H . 50676 1 409 . 1 . 1 113 113 LYS C C 13 174.974 . . . . . . . . 113 LYS C . 50676 1 410 . 1 . 1 113 113 LYS CA C 13 53.338 . . . . . . . . 113 LYS CA . 50676 1 411 . 1 . 1 113 113 LYS CB C 13 34.913 . . . . . . . . 113 LYS CB . 50676 1 412 . 1 . 1 113 113 LYS N N 15 121.548 . . . . . . . . 113 LYS N . 50676 1 413 . 1 . 1 114 114 ILE H H 1 8.528 . . . . . . . . 114 ILE H . 50676 1 414 . 1 . 1 114 114 ILE C C 13 176.029 . . . . . . . . 114 ILE C . 50676 1 415 . 1 . 1 114 114 ILE CA C 13 59.425 . . . . . . . . 114 ILE CA . 50676 1 416 . 1 . 1 114 114 ILE CB C 13 38.705 . . . . . . . . 114 ILE CB . 50676 1 417 . 1 . 1 114 114 ILE N N 15 123.667 . . . . . . . . 114 ILE N . 50676 1 418 . 1 . 1 115 115 SER H H 1 8.751 . . . . . . . . 115 SER H . 50676 1 419 . 1 . 1 115 115 SER C C 13 173.024 . . . . . . . . 115 SER C . 50676 1 420 . 1 . 1 115 115 SER CA C 13 57.623 . . . . . . . . 115 SER CA . 50676 1 421 . 1 . 1 115 115 SER CB C 13 65.27 . . . . . . . . 115 SER CB . 50676 1 422 . 1 . 1 115 115 SER N N 15 120.627 . . . . . . . . 115 SER N . 50676 1 423 . 1 . 1 116 116 MET H H 1 8.786 . . . . . . . . 116 MET H . 50676 1 424 . 1 . 1 116 116 MET C C 13 176.401 . . . . . . . . 116 MET C . 50676 1 425 . 1 . 1 116 116 MET CA C 13 53.514 . . . . . . . . 116 MET CA . 50676 1 426 . 1 . 1 116 116 MET CB C 13 32.557 . . . . . . . . 116 MET CB . 50676 1 427 . 1 . 1 116 116 MET N N 15 123.349 . . . . . . . . 116 MET N . 50676 1 428 . 1 . 1 117 117 LEU H H 1 9.396 . . . . . . . . 117 LEU H . 50676 1 429 . 1 . 1 117 117 LEU C C 13 175.172 . . . . . . . . 117 LEU C . 50676 1 430 . 1 . 1 117 117 LEU CA C 13 53.49 . . . . . . . . 117 LEU CA . 50676 1 431 . 1 . 1 117 117 LEU CB C 13 41.905 . . . . . . . . 117 LEU CB . 50676 1 432 . 1 . 1 117 117 LEU N N 15 121.822 . . . . . . . . 117 LEU N . 50676 1 433 . 1 . 1 118 118 GLU H H 1 9.189 . . . . . . . . 118 GLU H . 50676 1 434 . 1 . 1 118 118 GLU C C 13 175.45 . . . . . . . . 118 GLU C . 50676 1 435 . 1 . 1 118 118 GLU CA C 13 56.486 . . . . . . . . 118 GLU CA . 50676 1 436 . 1 . 1 118 118 GLU CB C 13 31.12 . . . . . . . . 118 GLU CB . 50676 1 437 . 1 . 1 118 118 GLU N N 15 122.567 . . . . . . . . 118 GLU N . 50676 1 438 . 1 . 1 119 119 LYS H H 1 7.038 . . . . . . . . 119 LYS H . 50676 1 439 . 1 . 1 119 119 LYS C C 13 173.882 . . . . . . . . 119 LYS C . 50676 1 440 . 1 . 1 119 119 LYS CA C 13 54.461 . . . . . . . . 119 LYS CA . 50676 1 441 . 1 . 1 119 119 LYS CB C 13 35.943 . . . . . . . . 119 LYS CB . 50676 1 442 . 1 . 1 119 119 LYS N N 15 114.208 . . . . . . . . 119 LYS N . 50676 1 443 . 1 . 1 120 120 ILE C C 13 173.872 . . . . . . . . 120 ILE C . 50676 1 444 . 1 . 1 120 120 ILE CA C 13 59.919 . . . . . . . . 120 ILE CA . 50676 1 445 . 1 . 1 120 120 ILE CB C 13 40.119 . . . . . . . . 120 ILE CB . 50676 1 446 . 1 . 1 121 121 TYR H H 1 9.351 . . . . . . . . 121 TYR H . 50676 1 447 . 1 . 1 121 121 TYR C C 13 174.551 . . . . . . . . 121 TYR C . 50676 1 448 . 1 . 1 121 121 TYR CA C 13 56.93 . . . . . . . . 121 TYR CA . 50676 1 449 . 1 . 1 121 121 TYR CB C 13 39.719 . . . . . . . . 121 TYR CB . 50676 1 450 . 1 . 1 121 121 TYR N N 15 124.109 . . . . . . . . 121 TYR N . 50676 1 451 . 1 . 1 122 122 ILE H H 1 9.027 . . . . . . . . 122 ILE H . 50676 1 452 . 1 . 1 122 122 ILE C C 13 176.122 . . . . . . . . 122 ILE C . 50676 1 453 . 1 . 1 122 122 ILE CA C 13 59.92 . . . . . . . . 122 ILE CA . 50676 1 454 . 1 . 1 122 122 ILE CB C 13 38.383 . . . . . . . . 122 ILE CB . 50676 1 455 . 1 . 1 122 122 ILE N N 15 125.777 . . . . . . . . 122 ILE N . 50676 1 456 . 1 . 1 123 123 HIS H H 1 6.838 . . . . . . . . 123 HIS H . 50676 1 457 . 1 . 1 123 123 HIS C C 13 175.552 . . . . . . . . 123 HIS C . 50676 1 458 . 1 . 1 123 123 HIS CA C 13 57.416 . . . . . . . . 123 HIS CA . 50676 1 459 . 1 . 1 123 123 HIS CB C 13 30.133 . . . . . . . . 123 HIS CB . 50676 1 460 . 1 . 1 123 123 HIS N N 15 129.911 . . . . . . . . 123 HIS N . 50676 1 461 . 1 . 1 124 124 PRO C C 13 178.437 . . . . . . . . 124 PRO C . 50676 1 462 . 1 . 1 124 124 PRO CA C 13 64.059 . . . . . . . . 124 PRO CA . 50676 1 463 . 1 . 1 124 124 PRO CB C 13 31.52 . . . . . . . . 124 PRO CB . 50676 1 464 . 1 . 1 125 125 ARG H H 1 11.186 . . . . . . . . 125 ARG H . 50676 1 465 . 1 . 1 125 125 ARG C C 13 176.03 . . . . . . . . 125 ARG C . 50676 1 466 . 1 . 1 125 125 ARG CA C 13 53.637 . . . . . . . . 125 ARG CA . 50676 1 467 . 1 . 1 125 125 ARG CB C 13 28.831 . . . . . . . . 125 ARG CB . 50676 1 468 . 1 . 1 125 125 ARG N N 15 121.103 . . . . . . . . 125 ARG N . 50676 1 469 . 1 . 1 126 126 TYR H H 1 7.53 . . . . . . . . 126 TYR H . 50676 1 470 . 1 . 1 126 126 TYR C C 13 175.068 . . . . . . . . 126 TYR C . 50676 1 471 . 1 . 1 126 126 TYR CA C 13 56.369 . . . . . . . . 126 TYR CA . 50676 1 472 . 1 . 1 126 126 TYR CB C 13 38.066 . . . . . . . . 126 TYR CB . 50676 1 473 . 1 . 1 126 126 TYR N N 15 124.325 . . . . . . . . 126 TYR N . 50676 1 474 . 1 . 1 127 127 ASN H H 1 8.754 . . . . . . . . 127 ASN H . 50676 1 475 . 1 . 1 127 127 ASN C C 13 174.172 . . . . . . . . 127 ASN C . 50676 1 476 . 1 . 1 127 127 ASN CA C 13 49.874 . . . . . . . . 127 ASN CA . 50676 1 477 . 1 . 1 127 127 ASN CB C 13 38.159 . . . . . . . . 127 ASN CB . 50676 1 478 . 1 . 1 127 127 ASN N N 15 131.898 . . . . . . . . 127 ASN N . 50676 1 479 . 1 . 1 128 128 TRP H H 1 6.383 . . . . . . . . 128 TRP H . 50676 1 480 . 1 . 1 128 128 TRP C C 13 176.066 . . . . . . . . 128 TRP C . 50676 1 481 . 1 . 1 128 128 TRP CA C 13 55.579 . . . . . . . . 128 TRP CA . 50676 1 482 . 1 . 1 128 128 TRP CB C 13 27.306 . . . . . . . . 128 TRP CB . 50676 1 483 . 1 . 1 128 128 TRP N N 15 118.956 . . . . . . . . 128 TRP N . 50676 1 484 . 1 . 1 129 129 ARG H H 1 6.881 . . . . . . . . 129 ARG H . 50676 1 485 . 1 . 1 129 129 ARG C C 13 176.545 . . . . . . . . 129 ARG C . 50676 1 486 . 1 . 1 129 129 ARG CA C 13 58.14 . . . . . . . . 129 ARG CA . 50676 1 487 . 1 . 1 129 129 ARG CB C 13 29.548 . . . . . . . . 129 ARG CB . 50676 1 488 . 1 . 1 129 129 ARG N N 15 120.71 . . . . . . . . 129 ARG N . 50676 1 489 . 1 . 1 130 130 GLU H H 1 7.147 . . . . . . . . 130 GLU H . 50676 1 490 . 1 . 1 130 130 GLU C C 13 176.462 . . . . . . . . 130 GLU C . 50676 1 491 . 1 . 1 130 130 GLU CA C 13 56.571 . . . . . . . . 130 GLU CA . 50676 1 492 . 1 . 1 130 130 GLU CB C 13 30.828 . . . . . . . . 130 GLU CB . 50676 1 493 . 1 . 1 130 130 GLU N N 15 115.832 . . . . . . . . 130 GLU N . 50676 1 494 . 1 . 1 131 131 ASN H H 1 7.203 . . . . . . . . 131 ASN H . 50676 1 495 . 1 . 1 131 131 ASN C C 13 171.463 . . . . . . . . 131 ASN C . 50676 1 496 . 1 . 1 131 131 ASN CA C 13 51.894 . . . . . . . . 131 ASN CA . 50676 1 497 . 1 . 1 131 131 ASN CB C 13 38.257 . . . . . . . . 131 ASN CB . 50676 1 498 . 1 . 1 131 131 ASN N N 15 113.263 . . . . . . . . 131 ASN N . 50676 1 499 . 1 . 1 132 132 LEU H H 1 7.702 . . . . . . . . 132 LEU H . 50676 1 500 . 1 . 1 132 132 LEU C C 13 176.865 . . . . . . . . 132 LEU C . 50676 1 501 . 1 . 1 132 132 LEU CA C 13 55.116 . . . . . . . . 132 LEU CA . 50676 1 502 . 1 . 1 132 132 LEU CB C 13 38.686 . . . . . . . . 132 LEU CB . 50676 1 503 . 1 . 1 132 132 LEU N N 15 110.635 . . . . . . . . 132 LEU N . 50676 1 504 . 1 . 1 133 133 ASP H H 1 7.131 . . . . . . . . 133 ASP H . 50676 1 505 . 1 . 1 133 133 ASP C C 13 176.311 . . . . . . . . 133 ASP C . 50676 1 506 . 1 . 1 133 133 ASP CA C 13 55.449 . . . . . . . . 133 ASP CA . 50676 1 507 . 1 . 1 133 133 ASP CB C 13 41.385 . . . . . . . . 133 ASP CB . 50676 1 508 . 1 . 1 133 133 ASP N N 15 116.829 . . . . . . . . 133 ASP N . 50676 1 509 . 1 . 1 134 134 ARG H H 1 8.716 . . . . . . . . 134 ARG H . 50676 1 510 . 1 . 1 134 134 ARG C C 13 174 . . . . . . . . 134 ARG C . 50676 1 511 . 1 . 1 134 134 ARG CA C 13 57.052 . . . . . . . . 134 ARG CA . 50676 1 512 . 1 . 1 134 134 ARG CB C 13 24.634 . . . . . . . . 134 ARG CB . 50676 1 513 . 1 . 1 134 134 ARG N N 15 119.132 . . . . . . . . 134 ARG N . 50676 1 514 . 1 . 1 135 135 ASP H H 1 6.849 . . . . . . . . 135 ASP H . 50676 1 515 . 1 . 1 135 135 ASP C C 13 175.025 . . . . . . . . 135 ASP C . 50676 1 516 . 1 . 1 135 135 ASP CA C 13 52.754 . . . . . . . . 135 ASP CA . 50676 1 517 . 1 . 1 135 135 ASP CB C 13 36.9 . . . . . . . . 135 ASP CB . 50676 1 518 . 1 . 1 135 135 ASP N N 15 114.369 . . . . . . . . 135 ASP N . 50676 1 519 . 1 . 1 136 136 ILE H H 1 8.294 . . . . . . . . 136 ILE H . 50676 1 520 . 1 . 1 136 136 ILE C C 13 169.531 . . . . . . . . 136 ILE C . 50676 1 521 . 1 . 1 136 136 ILE CA C 13 60.265 . . . . . . . . 136 ILE CA . 50676 1 522 . 1 . 1 136 136 ILE CB C 13 41.362 . . . . . . . . 136 ILE CB . 50676 1 523 . 1 . 1 136 136 ILE N N 15 126.766 . . . . . . . . 136 ILE N . 50676 1 524 . 1 . 1 137 137 ALA H H 1 8.254 . . . . . . . . 137 ALA H . 50676 1 525 . 1 . 1 137 137 ALA C C 13 174.572 . . . . . . . . 137 ALA C . 50676 1 526 . 1 . 1 137 137 ALA CA C 13 50.362 . . . . . . . . 137 ALA CA . 50676 1 527 . 1 . 1 137 137 ALA CB C 13 23.268 . . . . . . . . 137 ALA CB . 50676 1 528 . 1 . 1 137 137 ALA N N 15 127.218 . . . . . . . . 137 ALA N . 50676 1 529 . 1 . 1 138 138 LEU H H 1 9.471 . . . . . . . . 138 LEU H . 50676 1 530 . 1 . 1 138 138 LEU C C 13 176.217 . . . . . . . . 138 LEU C . 50676 1 531 . 1 . 1 138 138 LEU CA C 13 52.583 . . . . . . . . 138 LEU CA . 50676 1 532 . 1 . 1 138 138 LEU CB C 13 47.019 . . . . . . . . 138 LEU CB . 50676 1 533 . 1 . 1 138 138 LEU N N 15 121.436 . . . . . . . . 138 LEU N . 50676 1 534 . 1 . 1 139 139 MET H H 1 9.607 . . . . . . . . 139 MET H . 50676 1 535 . 1 . 1 139 139 MET C C 13 172.689 . . . . . . . . 139 MET C . 50676 1 536 . 1 . 1 139 139 MET CA C 13 53.71 . . . . . . . . 139 MET CA . 50676 1 537 . 1 . 1 139 139 MET CB C 13 34.814 . . . . . . . . 139 MET CB . 50676 1 538 . 1 . 1 139 139 MET N N 15 118.144 . . . . . . . . 139 MET N . 50676 1 539 . 1 . 1 140 140 LYS H H 1 8.635 . . . . . . . . 140 LYS H . 50676 1 540 . 1 . 1 140 140 LYS C C 13 176.443 . . . . . . . . 140 LYS C . 50676 1 541 . 1 . 1 140 140 LYS CA C 13 53.423 . . . . . . . . 140 LYS CA . 50676 1 542 . 1 . 1 140 140 LYS CB C 13 33.883 . . . . . . . . 140 LYS CB . 50676 1 543 . 1 . 1 140 140 LYS N N 15 126.237 . . . . . . . . 140 LYS N . 50676 1 544 . 1 . 1 141 141 LEU H H 1 8.73 . . . . . . . . 141 LEU H . 50676 1 545 . 1 . 1 141 141 LEU C C 13 177.053 . . . . . . . . 141 LEU C . 50676 1 546 . 1 . 1 141 141 LEU CA C 13 54.411 . . . . . . . . 141 LEU CA . 50676 1 547 . 1 . 1 141 141 LEU CB C 13 41.034 . . . . . . . . 141 LEU CB . 50676 1 548 . 1 . 1 141 141 LEU N N 15 127.86 . . . . . . . . 141 LEU N . 50676 1 549 . 1 . 1 142 142 LYS H H 1 8.056 . . . . . . . . 142 LYS H . 50676 1 550 . 1 . 1 142 142 LYS C C 13 175.574 . . . . . . . . 142 LYS C . 50676 1 551 . 1 . 1 142 142 LYS CA C 13 58.691 . . . . . . . . 142 LYS CA . 50676 1 552 . 1 . 1 142 142 LYS CB C 13 32.084 . . . . . . . . 142 LYS CB . 50676 1 553 . 1 . 1 142 142 LYS N N 15 120.739 . . . . . . . . 142 LYS N . 50676 1 554 . 1 . 1 143 143 LYS H H 1 7.344 . . . . . . . . 143 LYS H . 50676 1 555 . 1 . 1 143 143 LYS C C 13 172.645 . . . . . . . . 143 LYS C . 50676 1 556 . 1 . 1 143 143 LYS CA C 13 52.188 . . . . . . . . 143 LYS CA . 50676 1 557 . 1 . 1 143 143 LYS CB C 13 33.551 . . . . . . . . 143 LYS CB . 50676 1 558 . 1 . 1 143 143 LYS N N 15 115.398 . . . . . . . . 143 LYS N . 50676 1 559 . 1 . 1 144 144 PRO C C 13 176.55 . . . . . . . . 144 PRO C . 50676 1 560 . 1 . 1 144 144 PRO CA C 13 61.748 . . . . . . . . 144 PRO CA . 50676 1 561 . 1 . 1 144 144 PRO CB C 13 31.169 . . . . . . . . 144 PRO CB . 50676 1 562 . 1 . 1 145 145 VAL H H 1 8.782 . . . . . . . . 145 VAL H . 50676 1 563 . 1 . 1 145 145 VAL C C 13 173.682 . . . . . . . . 145 VAL C . 50676 1 564 . 1 . 1 145 145 VAL CA C 13 59.2 . . . . . . . . 145 VAL CA . 50676 1 565 . 1 . 1 145 145 VAL CB C 13 32.865 . . . . . . . . 145 VAL CB . 50676 1 566 . 1 . 1 145 145 VAL N N 15 122.352 . . . . . . . . 145 VAL N . 50676 1 567 . 1 . 1 146 146 ALA H H 1 7.92 . . . . . . . . 146 ALA H . 50676 1 568 . 1 . 1 146 146 ALA C C 13 177.356 . . . . . . . . 146 ALA C . 50676 1 569 . 1 . 1 146 146 ALA CA C 13 50.511 . . . . . . . . 146 ALA CA . 50676 1 570 . 1 . 1 146 146 ALA CB C 13 18.246 . . . . . . . . 146 ALA CB . 50676 1 571 . 1 . 1 146 146 ALA N N 15 127.521 . . . . . . . . 146 ALA N . 50676 1 572 . 1 . 1 147 147 PHE H H 1 7.885 . . . . . . . . 147 PHE H . 50676 1 573 . 1 . 1 147 147 PHE C C 13 176.021 . . . . . . . . 147 PHE C . 50676 1 574 . 1 . 1 147 147 PHE CA C 13 54.108 . . . . . . . . 147 PHE CA . 50676 1 575 . 1 . 1 147 147 PHE CB C 13 37.02 . . . . . . . . 147 PHE CB . 50676 1 576 . 1 . 1 147 147 PHE N N 15 122.24 . . . . . . . . 147 PHE N . 50676 1 577 . 1 . 1 148 148 SER H H 1 9.777 . . . . . . . . 148 SER H . 50676 1 578 . 1 . 1 148 148 SER C C 13 174.985 . . . . . . . . 148 SER C . 50676 1 579 . 1 . 1 148 148 SER CA C 13 56.815 . . . . . . . . 148 SER CA . 50676 1 580 . 1 . 1 148 148 SER CB C 13 66.409 . . . . . . . . 148 SER CB . 50676 1 581 . 1 . 1 148 148 SER N N 15 118.63 . . . . . . . . 148 SER N . 50676 1 582 . 1 . 1 149 149 ASP H H 1 8.66 . . . . . . . . 149 ASP H . 50676 1 583 . 1 . 1 149 149 ASP C C 13 174.051 . . . . . . . . 149 ASP C . 50676 1 584 . 1 . 1 149 149 ASP CA C 13 56.191 . . . . . . . . 149 ASP CA . 50676 1 585 . 1 . 1 149 149 ASP CB C 13 38.902 . . . . . . . . 149 ASP CB . 50676 1 586 . 1 . 1 149 149 ASP N N 15 119.066 . . . . . . . . 149 ASP N . 50676 1 587 . 1 . 1 150 150 TYR H H 1 7.749 . . . . . . . . 150 TYR H . 50676 1 588 . 1 . 1 150 150 TYR C C 13 174.469 . . . . . . . . 150 TYR C . 50676 1 589 . 1 . 1 150 150 TYR CA C 13 55.978 . . . . . . . . 150 TYR CA . 50676 1 590 . 1 . 1 150 150 TYR CB C 13 40.158 . . . . . . . . 150 TYR CB . 50676 1 591 . 1 . 1 150 150 TYR N N 15 113.097 . . . . . . . . 150 TYR N . 50676 1 592 . 1 . 1 151 151 ILE H H 1 6.964 . . . . . . . . 151 ILE H . 50676 1 593 . 1 . 1 151 151 ILE C C 13 173.664 . . . . . . . . 151 ILE C . 50676 1 594 . 1 . 1 151 151 ILE CA C 13 60.771 . . . . . . . . 151 ILE CA . 50676 1 595 . 1 . 1 151 151 ILE CB C 13 39.991 . . . . . . . . 151 ILE CB . 50676 1 596 . 1 . 1 151 151 ILE N N 15 119.01 . . . . . . . . 151 ILE N . 50676 1 597 . 1 . 1 152 152 HIS H H 1 7.513 . . . . . . . . 152 HIS H . 50676 1 598 . 1 . 1 152 152 HIS C C 13 172.526 . . . . . . . . 152 HIS C . 50676 1 599 . 1 . 1 152 152 HIS CB C 13 34.49 . . . . . . . . 152 HIS CB . 50676 1 600 . 1 . 1 152 152 HIS N N 15 126.075 . . . . . . . . 152 HIS N . 50676 1 601 . 1 . 1 153 153 PRO C C 13 176.09 . . . . . . . . 153 PRO C . 50676 1 602 . 1 . 1 153 153 PRO CA C 13 62.274 . . . . . . . . 153 PRO CA . 50676 1 603 . 1 . 1 153 153 PRO CB C 13 31.424 . . . . . . . . 153 PRO CB . 50676 1 604 . 1 . 1 154 154 VAL H H 1 8.073 . . . . . . . . 154 VAL H . 50676 1 605 . 1 . 1 154 154 VAL C C 13 173.039 . . . . . . . . 154 VAL C . 50676 1 606 . 1 . 1 154 154 VAL CA C 13 59.73 . . . . . . . . 154 VAL CA . 50676 1 607 . 1 . 1 154 154 VAL CB C 13 32.204 . . . . . . . . 154 VAL CB . 50676 1 608 . 1 . 1 154 154 VAL N N 15 122.729 . . . . . . . . 154 VAL N . 50676 1 609 . 1 . 1 155 155 CYS H H 1 6.753 . . . . . . . . 155 CYS H . 50676 1 610 . 1 . 1 155 155 CYS C C 13 174.915 . . . . . . . . 155 CYS C . 50676 1 611 . 1 . 1 155 155 CYS CA C 13 53.499 . . . . . . . . 155 CYS CA . 50676 1 612 . 1 . 1 155 155 CYS CB C 13 40.956 . . . . . . . . 155 CYS CB . 50676 1 613 . 1 . 1 155 155 CYS N N 15 119.963 . . . . . . . . 155 CYS N . 50676 1 614 . 1 . 1 156 156 LEU H H 1 9.266 . . . . . . . . 156 LEU H . 50676 1 615 . 1 . 1 156 156 LEU C C 13 175.055 . . . . . . . . 156 LEU C . 50676 1 616 . 1 . 1 156 156 LEU CA C 13 51.378 . . . . . . . . 156 LEU CA . 50676 1 617 . 1 . 1 156 156 LEU CB C 13 40.5111 . . . . . . . . 156 LEU CB . 50676 1 618 . 1 . 1 156 156 LEU N N 15 122.108 . . . . . . . . 156 LEU N . 50676 1 619 . 1 . 1 158 158 ASP H H 1 7.101 . . . . . . . . 158 ASP H . 50676 1 620 . 1 . 1 158 158 ASP C C 13 174.972 . . . . . . . . 158 ASP C . 50676 1 621 . 1 . 1 158 158 ASP CA C 13 51.198 . . . . . . . . 158 ASP CA . 50676 1 622 . 1 . 1 158 158 ASP CB C 13 41.895 . . . . . . . . 158 ASP CB . 50676 1 623 . 1 . 1 158 158 ASP N N 15 118.053 . . . . . . . . 158 ASP N . 50676 1 624 . 1 . 1 159 159 ARG H H 1 8.595 . . . . . . . . 159 ARG H . 50676 1 625 . 1 . 1 159 159 ARG C C 13 178.191 . . . . . . . . 159 ARG C . 50676 1 626 . 1 . 1 159 159 ARG CA C 13 59.32 . . . . . . . . 159 ARG CA . 50676 1 627 . 1 . 1 159 159 ARG CB C 13 29.039 . . . . . . . . 159 ARG CB . 50676 1 628 . 1 . 1 159 159 ARG N N 15 120.522 . . . . . . . . 159 ARG N . 50676 1 629 . 1 . 1 160 160 GLU H H 1 8.403 . . . . . . . . 160 GLU H . 50676 1 630 . 1 . 1 160 160 GLU C C 13 179.229 . . . . . . . . 160 GLU C . 50676 1 631 . 1 . 1 160 160 GLU CA C 13 58.955 . . . . . . . . 160 GLU CA . 50676 1 632 . 1 . 1 160 160 GLU CB C 13 28.016 . . . . . . . . 160 GLU CB . 50676 1 633 . 1 . 1 160 160 GLU N N 15 119.249 . . . . . . . . 160 GLU N . 50676 1 634 . 1 . 1 161 161 THR H H 1 7.907 . . . . . . . . 161 THR H . 50676 1 635 . 1 . 1 161 161 THR C C 13 175.877 . . . . . . . . 161 THR C . 50676 1 636 . 1 . 1 161 161 THR CA C 13 66.6 . . . . . . . . 161 THR CA . 50676 1 637 . 1 . 1 161 161 THR CB C 13 67.169 . . . . . . . . 161 THR CB . 50676 1 638 . 1 . 1 161 161 THR N N 15 119.275 . . . . . . . . 161 THR N . 50676 1 639 . 1 . 1 162 162 ALA H H 1 7.824 . . . . . . . . 162 ALA H . 50676 1 640 . 1 . 1 162 162 ALA C C 13 178.556 . . . . . . . . 162 ALA C . 50676 1 641 . 1 . 1 162 162 ALA CA C 13 54.865 . . . . . . . . 162 ALA CA . 50676 1 642 . 1 . 1 162 162 ALA CB C 13 16.504 . . . . . . . . 162 ALA CB . 50676 1 643 . 1 . 1 162 162 ALA N N 15 121.685 . . . . . . . . 162 ALA N . 50676 1 644 . 1 . 1 163 163 ALA H H 1 7.78 . . . . . . . . 163 ALA H . 50676 1 645 . 1 . 1 163 163 ALA C C 13 179.932 . . . . . . . . 163 ALA C . 50676 1 646 . 1 . 1 163 163 ALA CA C 13 53.909 . . . . . . . . 163 ALA CA . 50676 1 647 . 1 . 1 163 163 ALA CB C 13 17.446 . . . . . . . . 163 ALA CB . 50676 1 648 . 1 . 1 163 163 ALA N N 15 118.513 . . . . . . . . 163 ALA N . 50676 1 649 . 1 . 1 164 164 SER H H 1 7.584 . . . . . . . . 164 SER H . 50676 1 650 . 1 . 1 164 164 SER C C 13 175.466 . . . . . . . . 164 SER C . 50676 1 651 . 1 . 1 164 164 SER CA C 13 60.778 . . . . . . . . 164 SER CA . 50676 1 652 . 1 . 1 164 164 SER CB C 13 63.392 . . . . . . . . 164 SER CB . 50676 1 653 . 1 . 1 164 164 SER N N 15 110.891 . . . . . . . . 164 SER N . 50676 1 654 . 1 . 1 165 165 LEU H H 1 7.573 . . . . . . . . 165 LEU H . 50676 1 655 . 1 . 1 165 165 LEU C C 13 176.412 . . . . . . . . 165 LEU C . 50676 1 656 . 1 . 1 165 165 LEU CA C 13 55.043 . . . . . . . . 165 LEU CA . 50676 1 657 . 1 . 1 165 165 LEU CB C 13 41.349 . . . . . . . . 165 LEU CB . 50676 1 658 . 1 . 1 165 165 LEU N N 15 116.245 . . . . . . . . 165 LEU N . 50676 1 659 . 1 . 1 166 166 LEU H H 1 7.234 . . . . . . . . 166 LEU H . 50676 1 660 . 1 . 1 166 166 LEU C C 13 175.63 . . . . . . . . 166 LEU C . 50676 1 661 . 1 . 1 166 166 LEU CA C 13 52.775 . . . . . . . . 166 LEU CA . 50676 1 662 . 1 . 1 166 166 LEU CB C 13 37.785 . . . . . . . . 166 LEU CB . 50676 1 663 . 1 . 1 166 166 LEU N N 15 118.846 . . . . . . . . 166 LEU N . 50676 1 664 . 1 . 1 167 167 GLN H H 1 7.296 . . . . . . . . 167 GLN H . 50676 1 665 . 1 . 1 167 167 GLN C C 13 174.028 . . . . . . . . 167 GLN C . 50676 1 666 . 1 . 1 167 167 GLN CA C 13 52.708 . . . . . . . . 167 GLN CA . 50676 1 667 . 1 . 1 167 167 GLN CB C 13 30.001 . . . . . . . . 167 GLN CB . 50676 1 668 . 1 . 1 167 167 GLN N N 15 122.927 . . . . . . . . 167 GLN N . 50676 1 669 . 1 . 1 168 168 ALA H H 1 8.219 . . . . . . . . 168 ALA H . 50676 1 670 . 1 . 1 168 168 ALA C C 13 177.827 . . . . . . . . 168 ALA C . 50676 1 671 . 1 . 1 168 168 ALA CA C 13 52.833 . . . . . . . . 168 ALA CA . 50676 1 672 . 1 . 1 168 168 ALA CB C 13 17.166 . . . . . . . . 168 ALA CB . 50676 1 673 . 1 . 1 168 168 ALA N N 15 123.244 . . . . . . . . 168 ALA N . 50676 1 674 . 1 . 1 169 169 GLY H H 1 8.93 . . . . . . . . 169 GLY H . 50676 1 675 . 1 . 1 169 169 GLY C C 13 174.135 . . . . . . . . 169 GLY C . 50676 1 676 . 1 . 1 169 169 GLY CA C 13 44.699 . . . . . . . . 169 GLY CA . 50676 1 677 . 1 . 1 169 169 GLY N N 15 111.249 . . . . . . . . 169 GLY N . 50676 1 678 . 1 . 1 170 170 TYR H H 1 8.059 . . . . . . . . 170 TYR H . 50676 1 679 . 1 . 1 170 170 TYR C C 13 176.238 . . . . . . . . 170 TYR C . 50676 1 680 . 1 . 1 170 170 TYR CA C 13 55.665 . . . . . . . . 170 TYR CA . 50676 1 681 . 1 . 1 170 170 TYR CB C 13 35.884 . . . . . . . . 170 TYR CB . 50676 1 682 . 1 . 1 170 170 TYR N N 15 123.771 . . . . . . . . 170 TYR N . 50676 1 683 . 1 . 1 171 171 LYS H H 1 8.953 . . . . . . . . 171 LYS H . 50676 1 684 . 1 . 1 171 171 LYS C C 13 175.359 . . . . . . . . 171 LYS C . 50676 1 685 . 1 . 1 171 171 LYS CA C 13 55.547 . . . . . . . . 171 LYS CA . 50676 1 686 . 1 . 1 171 171 LYS CB C 13 35.678 . . . . . . . . 171 LYS CB . 50676 1 687 . 1 . 1 171 171 LYS N N 15 119.682 . . . . . . . . 171 LYS N . 50676 1 688 . 1 . 1 172 172 GLY H H 1 8.406 . . . . . . . . 172 GLY H . 50676 1 689 . 1 . 1 172 172 GLY C C 13 170.57 . . . . . . . . 172 GLY C . 50676 1 690 . 1 . 1 172 172 GLY CA C 13 43.496 . . . . . . . . 172 GLY CA . 50676 1 691 . 1 . 1 172 172 GLY N N 15 107.352 . . . . . . . . 172 GLY N . 50676 1 692 . 1 . 1 173 173 ARG H H 1 8.603 . . . . . . . . 173 ARG H . 50676 1 693 . 1 . 1 173 173 ARG C C 13 174.509 . . . . . . . . 173 ARG C . 50676 1 694 . 1 . 1 173 173 ARG CA C 13 53.837 . . . . . . . . 173 ARG CA . 50676 1 695 . 1 . 1 173 173 ARG CB C 13 34.125 . . . . . . . . 173 ARG CB . 50676 1 696 . 1 . 1 173 173 ARG N N 15 120.019 . . . . . . . . 173 ARG N . 50676 1 697 . 1 . 1 174 174 VAL H H 1 9.349 . . . . . . . . 174 VAL H . 50676 1 698 . 1 . 1 174 174 VAL C C 13 173.747 . . . . . . . . 174 VAL C . 50676 1 699 . 1 . 1 174 174 VAL CA C 13 60.468 . . . . . . . . 174 VAL CA . 50676 1 700 . 1 . 1 174 174 VAL CB C 13 33.907 . . . . . . . . 174 VAL CB . 50676 1 701 . 1 . 1 174 174 VAL N N 15 128.746 . . . . . . . . 174 VAL N . 50676 1 702 . 1 . 1 175 175 THR H H 1 6.722 . . . . . . . . 175 THR H . 50676 1 703 . 1 . 1 175 175 THR C C 13 175.42 . . . . . . . . 175 THR C . 50676 1 704 . 1 . 1 175 175 THR CA C 13 56.288 . . . . . . . . 175 THR CA . 50676 1 705 . 1 . 1 175 175 THR CB C 13 71.04 . . . . . . . . 175 THR CB . 50676 1 706 . 1 . 1 175 175 THR N N 15 111.599 . . . . . . . . 175 THR N . 50676 1 707 . 1 . 1 176 176 GLY H H 1 8.037 . . . . . . . . 176 GLY H . 50676 1 708 . 1 . 1 176 176 GLY N N 15 106.661 . . . . . . . . 176 GLY N . 50676 1 709 . 1 . 1 177 177 TRP C C 13 173.425 . . . . . . . . 177 TRP C . 50676 1 710 . 1 . 1 178 178 GLY H H 1 8.642 . . . . . . . . 178 GLY H . 50676 1 711 . 1 . 1 178 178 GLY C C 13 172.416 . . . . . . . . 178 GLY C . 50676 1 712 . 1 . 1 178 178 GLY CA C 13 43.286 . . . . . . . . 178 GLY CA . 50676 1 713 . 1 . 1 178 178 GLY N N 15 108.21 . . . . . . . . 178 GLY N . 50676 1 714 . 1 . 1 179 179 ASN H H 1 8.199 . . . . . . . . 179 ASN H . 50676 1 715 . 1 . 1 179 179 ASN C C 13 176.398 . . . . . . . . 179 ASN C . 50676 1 716 . 1 . 1 179 179 ASN CA C 13 53.599 . . . . . . . . 179 ASN CA . 50676 1 717 . 1 . 1 179 179 ASN CB C 13 38.26 . . . . . . . . 179 ASN CB . 50676 1 718 . 1 . 1 179 179 ASN N N 15 116.084 . . . . . . . . 179 ASN N . 50676 1 719 . 1 . 1 180 180 LEU H H 1 8.273 . . . . . . . . 180 LEU H . 50676 1 720 . 1 . 1 180 180 LEU C C 13 176.32 . . . . . . . . 180 LEU C . 50676 1 721 . 1 . 1 180 180 LEU CA C 13 54.516 . . . . . . . . 180 LEU CA . 50676 1 722 . 1 . 1 180 180 LEU CB C 13 43.073 . . . . . . . . 180 LEU CB . 50676 1 723 . 1 . 1 180 180 LEU N N 15 120.217 . . . . . . . . 180 LEU N . 50676 1 724 . 1 . 1 181 181 LYS H H 1 7.464 . . . . . . . . 181 LYS H . 50676 1 725 . 1 . 1 181 181 LYS C C 13 175.358 . . . . . . . . 181 LYS C . 50676 1 726 . 1 . 1 181 181 LYS CA C 13 53.529 . . . . . . . . 181 LYS CA . 50676 1 727 . 1 . 1 181 181 LYS CB C 13 36.482 . . . . . . . . 181 LYS CB . 50676 1 728 . 1 . 1 181 181 LYS N N 15 113.577 . . . . . . . . 181 LYS N . 50676 1 729 . 1 . 1 182 182 GLU H H 1 9.073 . . . . . . . . 182 GLU H . 50676 1 730 . 1 . 1 182 182 GLU C C 13 176.513 . . . . . . . . 182 GLU C . 50676 1 731 . 1 . 1 182 182 GLU CA C 13 58.758 . . . . . . . . 182 GLU CA . 50676 1 732 . 1 . 1 182 182 GLU CB C 13 29.566 . . . . . . . . 182 GLU CB . 50676 1 733 . 1 . 1 182 182 GLU N N 15 121.421 . . . . . . . . 182 GLU N . 50676 1 734 . 1 . 1 183 183 THR H H 1 7.85 . . . . . . . . 183 THR H . 50676 1 735 . 1 . 1 183 183 THR C C 13 173.061 . . . . . . . . 183 THR C . 50676 1 736 . 1 . 1 183 183 THR CA C 13 60.618 . . . . . . . . 183 THR CA . 50676 1 737 . 1 . 1 183 183 THR CB C 13 69.94 . . . . . . . . 183 THR CB . 50676 1 738 . 1 . 1 183 183 THR N N 15 112.105 . . . . . . . . 183 THR N . 50676 1 739 . 1 . 1 184 184 TRP H H 1 8.277 . . . . . . . . 184 TRP H . 50676 1 740 . 1 . 1 184 184 TRP C C 13 173.881 . . . . . . . . 184 TRP C . 50676 1 741 . 1 . 1 184 184 TRP CA C 13 61.913 . . . . . . . . 184 TRP CA . 50676 1 742 . 1 . 1 184 184 TRP CB C 13 28.944 . . . . . . . . 184 TRP CB . 50676 1 743 . 1 . 1 184 184 TRP N N 15 124.713 . . . . . . . . 184 TRP N . 50676 1 744 . 1 . 1 185 185 THR H H 1 8.665 . . . . . . . . 185 THR H . 50676 1 745 . 1 . 1 185 185 THR C C 13 174.143 . . . . . . . . 185 THR C . 50676 1 746 . 1 . 1 185 185 THR CA C 13 60.853 . . . . . . . . 185 THR CA . 50676 1 747 . 1 . 1 185 185 THR CB C 13 69.392 . . . . . . . . 185 THR CB . 50676 1 748 . 1 . 1 185 185 THR N N 15 116.807 . . . . . . . . 185 THR N . 50676 1 749 . 1 . 1 186 186 ALA H H 1 7.749 . . . . . . . . 186 ALA H . 50676 1 750 . 1 . 1 186 186 ALA C C 13 177.543 . . . . . . . . 186 ALA C . 50676 1 751 . 1 . 1 186 186 ALA CA C 13 52.651 . . . . . . . . 186 ALA CA . 50676 1 752 . 1 . 1 186 186 ALA CB C 13 18.085 . . . . . . . . 186 ALA CB . 50676 1 753 . 1 . 1 186 186 ALA N N 15 125.384 . . . . . . . . 186 ALA N . 50676 1 754 . 1 . 1 187 187 ASN H H 1 8.243 . . . . . . . . 187 ASN H . 50676 1 755 . 1 . 1 187 187 ASN C C 13 175.097 . . . . . . . . 187 ASN C . 50676 1 756 . 1 . 1 187 187 ASN CA C 13 53.59 . . . . . . . . 187 ASN CA . 50676 1 757 . 1 . 1 187 187 ASN CB C 13 37.847 . . . . . . . . 187 ASN CB . 50676 1 758 . 1 . 1 187 187 ASN N N 15 116.121 . . . . . . . . 187 ASN N . 50676 1 759 . 1 . 1 188 188 VAL H H 1 7.767 . . . . . . . . 188 VAL H . 50676 1 760 . 1 . 1 188 188 VAL C C 13 176.685 . . . . . . . . 188 VAL C . 50676 1 761 . 1 . 1 188 188 VAL CA C 13 62.157 . . . . . . . . 188 VAL CA . 50676 1 762 . 1 . 1 188 188 VAL CB C 13 32.024 . . . . . . . . 188 VAL CB . 50676 1 763 . 1 . 1 188 188 VAL N N 15 119.319 . . . . . . . . 188 VAL N . 50676 1 764 . 1 . 1 189 189 GLY H H 1 8.371 . . . . . . . . 189 GLY H . 50676 1 765 . 1 . 1 189 189 GLY C C 13 173.825 . . . . . . . . 189 GLY C . 50676 1 766 . 1 . 1 189 189 GLY CA C 13 44.78 . . . . . . . . 189 GLY CA . 50676 1 767 . 1 . 1 189 189 GLY N N 15 112.158 . . . . . . . . 189 GLY N . 50676 1 768 . 1 . 1 190 190 LYS H H 1 7.95 . . . . . . . . 190 LYS H . 50676 1 769 . 1 . 1 190 190 LYS C C 13 176.199 . . . . . . . . 190 LYS C . 50676 1 770 . 1 . 1 190 190 LYS CA C 13 55.329 . . . . . . . . 190 LYS CA . 50676 1 771 . 1 . 1 190 190 LYS CB C 13 32.166 . . . . . . . . 190 LYS CB . 50676 1 772 . 1 . 1 190 190 LYS N N 15 119.684 . . . . . . . . 190 LYS N . 50676 1 773 . 1 . 1 191 191 GLY H H 1 7.916 . . . . . . . . 191 GLY H . 50676 1 774 . 1 . 1 191 191 GLY C C 13 172.943 . . . . . . . . 191 GLY C . 50676 1 775 . 1 . 1 191 191 GLY CA C 13 44.825 . . . . . . . . 191 GLY CA . 50676 1 776 . 1 . 1 191 191 GLY N N 15 108.354 . . . . . . . . 191 GLY N . 50676 1 777 . 1 . 1 192 192 GLN H H 1 7.467 . . . . . . . . 192 GLN H . 50676 1 778 . 1 . 1 192 192 GLN C C 13 173.758 . . . . . . . . 192 GLN C . 50676 1 779 . 1 . 1 192 192 GLN CA C 13 52.429 . . . . . . . . 192 GLN CA . 50676 1 780 . 1 . 1 192 192 GLN CB C 13 28.772 . . . . . . . . 192 GLN CB . 50676 1 781 . 1 . 1 192 192 GLN N N 15 119.003 . . . . . . . . 192 GLN N . 50676 1 782 . 1 . 1 197 197 GLN C C 13 175.376 . . . . . . . . 197 GLN C . 50676 1 783 . 1 . 1 197 197 GLN CA C 13 52.217 . . . . . . . . 197 GLN CA . 50676 1 784 . 1 . 1 197 197 GLN CB C 13 33.131 . . . . . . . . 197 GLN CB . 50676 1 785 . 1 . 1 198 198 VAL H H 1 8.953 . . . . . . . . 198 VAL H . 50676 1 786 . 1 . 1 198 198 VAL C C 13 173.296 . . . . . . . . 198 VAL C . 50676 1 787 . 1 . 1 198 198 VAL CA C 13 58.524 . . . . . . . . 198 VAL CA . 50676 1 788 . 1 . 1 198 198 VAL CB C 13 35.225 . . . . . . . . 198 VAL CB . 50676 1 789 . 1 . 1 198 198 VAL N N 15 118.944 . . . . . . . . 198 VAL N . 50676 1 790 . 1 . 1 199 199 VAL H H 1 8.758 . . . . . . . . 199 VAL H . 50676 1 791 . 1 . 1 199 199 VAL C C 13 170.611 . . . . . . . . 199 VAL C . 50676 1 792 . 1 . 1 199 199 VAL CA C 13 60.291 . . . . . . . . 199 VAL CA . 50676 1 793 . 1 . 1 199 199 VAL CB C 13 34.942 . . . . . . . . 199 VAL CB . 50676 1 794 . 1 . 1 199 199 VAL N N 15 126.134 . . . . . . . . 199 VAL N . 50676 1 795 . 1 . 1 200 200 ASN H H 1 8.641 . . . . . . . . 200 ASN H . 50676 1 796 . 1 . 1 200 200 ASN C C 13 175.394 . . . . . . . . 200 ASN C . 50676 1 797 . 1 . 1 200 200 ASN CA C 13 50.874 . . . . . . . . 200 ASN CA . 50676 1 798 . 1 . 1 200 200 ASN CB C 13 39.006 . . . . . . . . 200 ASN CB . 50676 1 799 . 1 . 1 200 200 ASN N N 15 126.611 . . . . . . . . 200 ASN N . 50676 1 800 . 1 . 1 201 201 LEU H H 1 8.95 . . . . . . . . 201 LEU H . 50676 1 801 . 1 . 1 201 201 LEU C C 13 173.752 . . . . . . . . 201 LEU C . 50676 1 802 . 1 . 1 201 201 LEU CA C 13 51.034 . . . . . . . . 201 LEU CA . 50676 1 803 . 1 . 1 201 201 LEU CB C 13 46.602 . . . . . . . . 201 LEU CB . 50676 1 804 . 1 . 1 201 201 LEU N N 15 121.161 . . . . . . . . 201 LEU N . 50676 1 805 . 1 . 1 202 202 PRO C C 13 175.897 . . . . . . . . 202 PRO C . 50676 1 806 . 1 . 1 202 202 PRO CA C 13 60.784 . . . . . . . . 202 PRO CA . 50676 1 807 . 1 . 1 202 202 PRO CB C 13 30.763 . . . . . . . . 202 PRO CB . 50676 1 808 . 1 . 1 203 203 ILE H H 1 8.632 . . . . . . . . 203 ILE H . 50676 1 809 . 1 . 1 203 203 ILE C C 13 176.601 . . . . . . . . 203 ILE C . 50676 1 810 . 1 . 1 203 203 ILE CA C 13 62.177 . . . . . . . . 203 ILE CA . 50676 1 811 . 1 . 1 203 203 ILE CB C 13 36.528 . . . . . . . . 203 ILE CB . 50676 1 812 . 1 . 1 203 203 ILE N N 15 122.409 . . . . . . . . 203 ILE N . 50676 1 813 . 1 . 1 204 204 VAL H H 1 7.907 . . . . . . . . 204 VAL H . 50676 1 814 . 1 . 1 204 204 VAL C C 13 174.036 . . . . . . . . 204 VAL C . 50676 1 815 . 1 . 1 204 204 VAL CA C 13 61.607 . . . . . . . . 204 VAL CA . 50676 1 816 . 1 . 1 204 204 VAL CB C 13 32.763 . . . . . . . . 204 VAL CB . 50676 1 817 . 1 . 1 204 204 VAL N N 15 133.626 . . . . . . . . 204 VAL N . 50676 1 818 . 1 . 1 205 205 GLU H H 1 9.586 . . . . . . . . 205 GLU H . 50676 1 819 . 1 . 1 205 205 GLU C C 13 177.348 . . . . . . . . 205 GLU C . 50676 1 820 . 1 . 1 205 205 GLU CA C 13 56.841 . . . . . . . . 205 GLU CA . 50676 1 821 . 1 . 1 205 205 GLU CB C 13 28.952 . . . . . . . . 205 GLU CB . 50676 1 822 . 1 . 1 205 205 GLU N N 15 126.368 . . . . . . . . 205 GLU N . 50676 1 823 . 1 . 1 206 206 ARG H H 1 8.856 . . . . . . . . 206 ARG H . 50676 1 824 . 1 . 1 206 206 ARG C C 13 174.911 . . . . . . . . 206 ARG C . 50676 1 825 . 1 . 1 206 206 ARG CA C 13 61.659 . . . . . . . . 206 ARG CA . 50676 1 826 . 1 . 1 206 206 ARG CB C 13 26.9 . . . . . . . . 206 ARG CB . 50676 1 827 . 1 . 1 206 206 ARG N N 15 124.431 . . . . . . . . 206 ARG N . 50676 1 828 . 1 . 1 207 207 PRO C C 13 178.686 . . . . . . . . 207 PRO C . 50676 1 829 . 1 . 1 207 207 PRO CA C 13 65.692 . . . . . . . . 207 PRO CA . 50676 1 830 . 1 . 1 207 207 PRO CB C 13 30.447 . . . . . . . . 207 PRO CB . 50676 1 831 . 1 . 1 208 208 VAL H H 1 6.678 . . . . . . . . 208 VAL H . 50676 1 832 . 1 . 1 208 208 VAL C C 13 179.427 . . . . . . . . 208 VAL C . 50676 1 833 . 1 . 1 208 208 VAL CA C 13 64.82 . . . . . . . . 208 VAL CA . 50676 1 834 . 1 . 1 208 208 VAL CB C 13 30.106 . . . . . . . . 208 VAL CB . 50676 1 835 . 1 . 1 208 208 VAL N N 15 117.436 . . . . . . . . 208 VAL N . 50676 1 836 . 1 . 1 209 209 CYS H H 1 7.684 . . . . . . . . 209 CYS H . 50676 1 837 . 1 . 1 209 209 CYS C C 13 178.737 . . . . . . . . 209 CYS C . 50676 1 838 . 1 . 1 209 209 CYS CA C 13 56.64 . . . . . . . . 209 CYS CA . 50676 1 839 . 1 . 1 209 209 CYS CB C 13 37.754 . . . . . . . . 209 CYS CB . 50676 1 840 . 1 . 1 209 209 CYS N N 15 118.529 . . . . . . . . 209 CYS N . 50676 1 841 . 1 . 1 210 210 LYS H H 1 8.689 . . . . . . . . 210 LYS H . 50676 1 842 . 1 . 1 210 210 LYS C C 13 177.731 . . . . . . . . 210 LYS C . 50676 1 843 . 1 . 1 210 210 LYS CA C 13 59.298 . . . . . . . . 210 LYS CA . 50676 1 844 . 1 . 1 210 210 LYS CB C 13 31.834 . . . . . . . . 210 LYS CB . 50676 1 845 . 1 . 1 210 210 LYS N N 15 121.721 . . . . . . . . 210 LYS N . 50676 1 846 . 1 . 1 211 211 ASP H H 1 7.757 . . . . . . . . 211 ASP H . 50676 1 847 . 1 . 1 211 211 ASP C C 13 177.283 . . . . . . . . 211 ASP C . 50676 1 848 . 1 . 1 211 211 ASP CA C 13 55.417 . . . . . . . . 211 ASP CA . 50676 1 849 . 1 . 1 211 211 ASP CB C 13 40.079 . . . . . . . . 211 ASP CB . 50676 1 850 . 1 . 1 211 211 ASP N N 15 116.054 . . . . . . . . 211 ASP N . 50676 1 851 . 1 . 1 212 212 SER H H 1 7.783 . . . . . . . . 212 SER H . 50676 1 852 . 1 . 1 212 212 SER C C 13 172.477 . . . . . . . . 212 SER C . 50676 1 853 . 1 . 1 212 212 SER CA C 13 59.862 . . . . . . . . 212 SER CA . 50676 1 854 . 1 . 1 212 212 SER CB C 13 64.519 . . . . . . . . 212 SER CB . 50676 1 855 . 1 . 1 212 212 SER N N 15 114.12 . . . . . . . . 212 SER N . 50676 1 856 . 1 . 1 213 213 THR H H 1 7.527 . . . . . . . . 213 THR H . 50676 1 857 . 1 . 1 213 213 THR C C 13 171.241 . . . . . . . . 213 THR C . 50676 1 858 . 1 . 1 213 213 THR CA C 13 59.623 . . . . . . . . 213 THR CA . 50676 1 859 . 1 . 1 213 213 THR CB C 13 69.005 . . . . . . . . 213 THR CB . 50676 1 860 . 1 . 1 213 213 THR N N 15 118.167 . . . . . . . . 213 THR N . 50676 1 861 . 1 . 1 214 214 ARG H H 1 8.764 . . . . . . . . 214 ARG H . 50676 1 862 . 1 . 1 214 214 ARG C C 13 178.059 . . . . . . . . 214 ARG C . 50676 1 863 . 1 . 1 214 214 ARG CA C 13 55.025 . . . . . . . . 214 ARG CA . 50676 1 864 . 1 . 1 214 214 ARG CB C 13 29.354 . . . . . . . . 214 ARG CB . 50676 1 865 . 1 . 1 214 214 ARG N N 15 123.992 . . . . . . . . 214 ARG N . 50676 1 866 . 1 . 1 215 215 ILE H H 1 8.118 . . . . . . . . 215 ILE H . 50676 1 867 . 1 . 1 215 215 ILE C C 13 174.753 . . . . . . . . 215 ILE C . 50676 1 868 . 1 . 1 215 215 ILE CA C 13 61.335 . . . . . . . . 215 ILE CA . 50676 1 869 . 1 . 1 215 215 ILE CB C 13 35.593 . . . . . . . . 215 ILE CB . 50676 1 870 . 1 . 1 215 215 ILE N N 15 127.009 . . . . . . . . 215 ILE N . 50676 1 871 . 1 . 1 216 216 ARG H H 1 8.162 . . . . . . . . 216 ARG H . 50676 1 872 . 1 . 1 216 216 ARG C C 13 175.115 . . . . . . . . 216 ARG C . 50676 1 873 . 1 . 1 216 216 ARG CA C 13 56.019 . . . . . . . . 216 ARG CA . 50676 1 874 . 1 . 1 216 216 ARG CB C 13 29.435 . . . . . . . . 216 ARG CB . 50676 1 875 . 1 . 1 216 216 ARG N N 15 127.623 . . . . . . . . 216 ARG N . 50676 1 876 . 1 . 1 217 217 ILE H H 1 7.726 . . . . . . . . 217 ILE H . 50676 1 877 . 1 . 1 217 217 ILE C C 13 176.129 . . . . . . . . 217 ILE C . 50676 1 878 . 1 . 1 217 217 ILE CA C 13 59.629 . . . . . . . . 217 ILE CA . 50676 1 879 . 1 . 1 217 217 ILE CB C 13 38.534 . . . . . . . . 217 ILE CB . 50676 1 880 . 1 . 1 217 217 ILE N N 15 123.712 . . . . . . . . 217 ILE N . 50676 1 881 . 1 . 1 218 218 THR H H 1 7.22 . . . . . . . . 218 THR H . 50676 1 882 . 1 . 1 218 218 THR C C 13 175.396 . . . . . . . . 218 THR C . 50676 1 883 . 1 . 1 218 218 THR CA C 13 58.629 . . . . . . . . 218 THR CA . 50676 1 884 . 1 . 1 218 218 THR CB C 13 71.972 . . . . . . . . 218 THR CB . 50676 1 885 . 1 . 1 218 218 THR N N 15 110.735 . . . . . . . . 218 THR N . 50676 1 886 . 1 . 1 219 219 ASP H H 1 8.821 . . . . . . . . 219 ASP H . 50676 1 887 . 1 . 1 219 219 ASP C C 13 176.138 . . . . . . . . 219 ASP C . 50676 1 888 . 1 . 1 219 219 ASP CA C 13 55.208 . . . . . . . . 219 ASP CA . 50676 1 889 . 1 . 1 219 219 ASP CB C 13 39.542 . . . . . . . . 219 ASP CB . 50676 1 890 . 1 . 1 219 219 ASP N N 15 118.052 . . . . . . . . 219 ASP N . 50676 1 891 . 1 . 1 220 220 ASN H H 1 8.07 . . . . . . . . 220 ASN H . 50676 1 892 . 1 . 1 220 220 ASN C C 13 175.085 . . . . . . . . 220 ASN C . 50676 1 893 . 1 . 1 220 220 ASN CA C 13 53.539 . . . . . . . . 220 ASN CA . 50676 1 894 . 1 . 1 220 220 ASN CB C 13 37.427 . . . . . . . . 220 ASN CB . 50676 1 895 . 1 . 1 220 220 ASN N N 15 112.392 . . . . . . . . 220 ASN N . 50676 1 896 . 1 . 1 221 221 MET H H 1 8.23 . . . . . . . . 221 MET H . 50676 1 897 . 1 . 1 221 221 MET C C 13 174.254 . . . . . . . . 221 MET C . 50676 1 898 . 1 . 1 221 221 MET CA C 13 54.199 . . . . . . . . 221 MET CA . 50676 1 899 . 1 . 1 221 221 MET CB C 13 36.288 . . . . . . . . 221 MET CB . 50676 1 900 . 1 . 1 221 221 MET N N 15 124.257 . . . . . . . . 221 MET N . 50676 1 901 . 1 . 1 222 222 PHE H H 1 8.884 . . . . . . . . 222 PHE H . 50676 1 902 . 1 . 1 222 222 PHE C C 13 171.862 . . . . . . . . 222 PHE C . 50676 1 903 . 1 . 1 222 222 PHE CA C 13 56.356 . . . . . . . . 222 PHE CA . 50676 1 904 . 1 . 1 222 222 PHE CB C 13 40.411 . . . . . . . . 222 PHE CB . 50676 1 905 . 1 . 1 222 222 PHE N N 15 117.097 . . . . . . . . 222 PHE N . 50676 1 906 . 1 . 1 223 223 CYS H H 1 8.845 . . . . . . . . 223 CYS H . 50676 1 907 . 1 . 1 223 223 CYS C C 13 171.846 . . . . . . . . 223 CYS C . 50676 1 908 . 1 . 1 223 223 CYS CA C 13 54.785 . . . . . . . . 223 CYS CA . 50676 1 909 . 1 . 1 223 223 CYS CB C 13 41.327 . . . . . . . . 223 CYS CB . 50676 1 910 . 1 . 1 223 223 CYS N N 15 121.3 . . . . . . . . 223 CYS N . 50676 1 911 . 1 . 1 224 224 ALA H H 1 8.491 . . . . . . . . 224 ALA H . 50676 1 912 . 1 . 1 224 224 ALA C C 13 176.303 . . . . . . . . 224 ALA C . 50676 1 913 . 1 . 1 224 224 ALA CA C 13 50.934 . . . . . . . . 224 ALA CA . 50676 1 914 . 1 . 1 224 224 ALA CB C 13 23.219 . . . . . . . . 224 ALA CB . 50676 1 915 . 1 . 1 224 224 ALA N N 15 120.726 . . . . . . . . 224 ALA N . 50676 1 916 . 1 . 1 225 225 GLY H H 1 8.763 . . . . . . . . 225 GLY H . 50676 1 917 . 1 . 1 225 225 GLY C C 13 170.838 . . . . . . . . 225 GLY C . 50676 1 918 . 1 . 1 225 225 GLY CA C 13 43.943 . . . . . . . . 225 GLY CA . 50676 1 919 . 1 . 1 225 225 GLY N N 15 109.976 . . . . . . . . 225 GLY N . 50676 1 920 . 1 . 1 226 226 TYR H H 1 9.525 . . . . . . . . 226 TYR H . 50676 1 921 . 1 . 1 226 226 TYR C C 13 177.465 . . . . . . . . 226 TYR C . 50676 1 922 . 1 . 1 226 226 TYR CA C 13 59.295 . . . . . . . . 226 TYR CA . 50676 1 923 . 1 . 1 226 226 TYR CB C 13 38.499 . . . . . . . . 226 TYR CB . 50676 1 924 . 1 . 1 226 226 TYR N N 15 118.799 . . . . . . . . 226 TYR N . 50676 1 925 . 1 . 1 227 227 LYS H H 1 10.084 . . . . . . . . 227 LYS H . 50676 1 926 . 1 . 1 227 227 LYS C C 13 177.783 . . . . . . . . 227 LYS C . 50676 1 927 . 1 . 1 227 227 LYS CA C 13 54.726 . . . . . . . . 227 LYS CA . 50676 1 928 . 1 . 1 227 227 LYS CB C 13 30.893 . . . . . . . . 227 LYS CB . 50676 1 929 . 1 . 1 227 227 LYS N N 15 124.715 . . . . . . . . 227 LYS N . 50676 1 930 . 1 . 1 228 228 PRO C C 13 176.738 . . . . . . . . 228 PRO C . 50676 1 931 . 1 . 1 228 228 PRO CA C 13 65.152 . . . . . . . . 228 PRO CA . 50676 1 932 . 1 . 1 228 228 PRO CB C 13 31.075 . . . . . . . . 228 PRO CB . 50676 1 933 . 1 . 1 229 229 ASP H H 1 8.405 . . . . . . . . 229 ASP H . 50676 1 934 . 1 . 1 229 229 ASP C C 13 177.12 . . . . . . . . 229 ASP C . 50676 1 935 . 1 . 1 229 229 ASP CA C 13 53.941 . . . . . . . . 229 ASP CA . 50676 1 936 . 1 . 1 229 229 ASP CB C 13 39.454 . . . . . . . . 229 ASP CB . 50676 1 937 . 1 . 1 229 229 ASP N N 15 113.606 . . . . . . . . 229 ASP N . 50676 1 938 . 1 . 1 230 230 GLU H H 1 7.686 . . . . . . . . 230 GLU H . 50676 1 939 . 1 . 1 230 230 GLU C C 13 177.895 . . . . . . . . 230 GLU C . 50676 1 940 . 1 . 1 230 230 GLU CA C 13 57.385 . . . . . . . . 230 GLU CA . 50676 1 941 . 1 . 1 230 230 GLU CB C 13 30.687 . . . . . . . . 230 GLU CB . 50676 1 942 . 1 . 1 230 230 GLU N N 15 117.933 . . . . . . . . 230 GLU N . 50676 1 943 . 1 . 1 231 231 GLY H H 1 8.048 . . . . . . . . 231 GLY H . 50676 1 944 . 1 . 1 231 231 GLY C C 13 173.375 . . . . . . . . 231 GLY C . 50676 1 945 . 1 . 1 231 231 GLY CA C 13 46.068 . . . . . . . . 231 GLY CA . 50676 1 946 . 1 . 1 231 231 GLY N N 15 107.649 . . . . . . . . 231 GLY N . 50676 1 947 . 1 . 1 232 232 LYS H H 1 6.654 . . . . . . . . 232 LYS H . 50676 1 948 . 1 . 1 232 232 LYS C C 13 173.067 . . . . . . . . 232 LYS C . 50676 1 949 . 1 . 1 232 232 LYS CA C 13 54.468 . . . . . . . . 232 LYS CA . 50676 1 950 . 1 . 1 232 232 LYS CB C 13 33.301 . . . . . . . . 232 LYS CB . 50676 1 951 . 1 . 1 232 232 LYS N N 15 119.41 . . . . . . . . 232 LYS N . 50676 1 952 . 1 . 1 233 233 ARG H H 1 8.008 . . . . . . . . 233 ARG H . 50676 1 953 . 1 . 1 233 233 ARG C C 13 174.484 . . . . . . . . 233 ARG C . 50676 1 954 . 1 . 1 233 233 ARG CA C 13 54.229 . . . . . . . . 233 ARG CA . 50676 1 955 . 1 . 1 233 233 ARG CB C 13 31.793 . . . . . . . . 233 ARG CB . 50676 1 956 . 1 . 1 233 233 ARG N N 15 118.175 . . . . . . . . 233 ARG N . 50676 1 957 . 1 . 1 234 234 GLY H H 1 8.602 . . . . . . . . 234 GLY H . 50676 1 958 . 1 . 1 234 234 GLY C C 13 173.677 . . . . . . . . 234 GLY C . 50676 1 959 . 1 . 1 234 234 GLY CA C 13 44.131 . . . . . . . . 234 GLY CA . 50676 1 960 . 1 . 1 234 234 GLY N N 15 106.982 . . . . . . . . 234 GLY N . 50676 1 961 . 1 . 1 235 235 ASP H H 1 8.233 . . . . . . . . 235 ASP H . 50676 1 962 . 1 . 1 235 235 ASP C C 13 176.315 . . . . . . . . 235 ASP C . 50676 1 963 . 1 . 1 235 235 ASP CA C 13 52.584 . . . . . . . . 235 ASP CA . 50676 1 964 . 1 . 1 235 235 ASP CB C 13 43.783 . . . . . . . . 235 ASP CB . 50676 1 965 . 1 . 1 235 235 ASP N N 15 117.744 . . . . . . . . 235 ASP N . 50676 1 966 . 1 . 1 236 236 ALA H H 1 8.736 . . . . . . . . 236 ALA H . 50676 1 967 . 1 . 1 236 236 ALA C C 13 172.659 . . . . . . . . 236 ALA C . 50676 1 968 . 1 . 1 236 236 ALA CA C 13 51.707 . . . . . . . . 236 ALA CA . 50676 1 969 . 1 . 1 236 236 ALA CB C 13 20.37 . . . . . . . . 236 ALA CB . 50676 1 970 . 1 . 1 236 236 ALA N N 15 124.34 . . . . . . . . 236 ALA N . 50676 1 971 . 1 . 1 237 237 CYS H H 1 9.495 . . . . . . . . 237 CYS H . 50676 1 972 . 1 . 1 237 237 CYS C C 13 174.471 . . . . . . . . 237 CYS C . 50676 1 973 . 1 . 1 237 237 CYS CA C 13 50.232 . . . . . . . . 237 CYS CA . 50676 1 974 . 1 . 1 237 237 CYS CB C 13 36.541 . . . . . . . . 237 CYS CB . 50676 1 975 . 1 . 1 237 237 CYS N N 15 115.174 . . . . . . . . 237 CYS N . 50676 1 976 . 1 . 1 238 238 GLU H H 1 8.172 . . . . . . . . 238 GLU H . 50676 1 977 . 1 . 1 238 238 GLU C C 13 175.531 . . . . . . . . 238 GLU C . 50676 1 978 . 1 . 1 238 238 GLU CA C 13 60.709 . . . . . . . . 238 GLU CA . 50676 1 979 . 1 . 1 238 238 GLU CB C 13 27.685 . . . . . . . . 238 GLU CB . 50676 1 980 . 1 . 1 238 238 GLU N N 15 123.013 . . . . . . . . 238 GLU N . 50676 1 981 . 1 . 1 241 241 SER C C 13 170.784 . . . . . . . . 241 SER C . 50676 1 982 . 1 . 1 241 241 SER CA C 13 58.077 . . . . . . . . 241 SER CA . 50676 1 983 . 1 . 1 241 241 SER CB C 13 62.659 . . . . . . . . 241 SER CB . 50676 1 984 . 1 . 1 242 242 GLY H H 1 8.906 . . . . . . . . 242 GLY H . 50676 1 985 . 1 . 1 242 242 GLY C C 13 173.828 . . . . . . . . 242 GLY C . 50676 1 986 . 1 . 1 242 242 GLY CA C 13 45.689 . . . . . . . . 242 GLY CA . 50676 1 987 . 1 . 1 242 242 GLY N N 15 110.606 . . . . . . . . 242 GLY N . 50676 1 988 . 1 . 1 243 243 GLY H H 1 7.946 . . . . . . . . 243 GLY H . 50676 1 989 . 1 . 1 243 243 GLY CA C 13 43.591 . . . . . . . . 243 GLY CA . 50676 1 990 . 1 . 1 243 243 GLY N N 15 104.606 . . . . . . . . 243 GLY N . 50676 1 991 . 1 . 1 244 244 PRO C C 13 174.072 . . . . . . . . 244 PRO C . 50676 1 992 . 1 . 1 244 244 PRO CA C 13 62.84 . . . . . . . . 244 PRO CA . 50676 1 993 . 1 . 1 244 244 PRO CB C 13 30.594 . . . . . . . . 244 PRO CB . 50676 1 994 . 1 . 1 245 245 PHE H H 1 7.871 . . . . . . . . 245 PHE H . 50676 1 995 . 1 . 1 245 245 PHE C C 13 177.231 . . . . . . . . 245 PHE C . 50676 1 996 . 1 . 1 245 245 PHE CA C 13 55.571 . . . . . . . . 245 PHE CA . 50676 1 997 . 1 . 1 245 245 PHE CB C 13 39.764 . . . . . . . . 245 PHE CB . 50676 1 998 . 1 . 1 245 245 PHE N N 15 123.262 . . . . . . . . 245 PHE N . 50676 1 999 . 1 . 1 246 246 VAL H H 1 9.561 . . . . . . . . 246 VAL H . 50676 1 1000 . 1 . 1 246 246 VAL C C 13 173.906 . . . . . . . . 246 VAL C . 50676 1 1001 . 1 . 1 246 246 VAL CA C 13 58.227 . . . . . . . . 246 VAL CA . 50676 1 1002 . 1 . 1 246 246 VAL CB C 13 34.546 . . . . . . . . 246 VAL CB . 50676 1 1003 . 1 . 1 246 246 VAL N N 15 122.535 . . . . . . . . 246 VAL N . 50676 1 1004 . 1 . 1 247 247 MET H H 1 9.203 . . . . . . . . 247 MET H . 50676 1 1005 . 1 . 1 247 247 MET C C 13 173.128 . . . . . . . . 247 MET C . 50676 1 1006 . 1 . 1 247 247 MET CA C 13 54.921 . . . . . . . . 247 MET CA . 50676 1 1007 . 1 . 1 247 247 MET CB C 13 38.611 . . . . . . . . 247 MET CB . 50676 1 1008 . 1 . 1 247 247 MET N N 15 118.385 . . . . . . . . 247 MET N . 50676 1 1009 . 1 . 1 248 248 LYS H H 1 6.81 . . . . . . . . 248 LYS H . 50676 1 1010 . 1 . 1 248 248 LYS C C 13 174.944 . . . . . . . . 248 LYS C . 50676 1 1011 . 1 . 1 248 248 LYS CA C 13 53.845 . . . . . . . . 248 LYS CA . 50676 1 1012 . 1 . 1 248 248 LYS CB C 13 30.772 . . . . . . . . 248 LYS CB . 50676 1 1013 . 1 . 1 248 248 LYS N N 15 123.164 . . . . . . . . 248 LYS N . 50676 1 1014 . 1 . 1 249 249 SER H H 1 8.885 . . . . . . . . 249 SER H . 50676 1 1015 . 1 . 1 249 249 SER CA C 13 54.281 . . . . . . . . 249 SER CA . 50676 1 1016 . 1 . 1 249 249 SER CB C 13 64.357 . . . . . . . . 249 SER CB . 50676 1 1017 . 1 . 1 249 249 SER N N 15 121.126 . . . . . . . . 249 SER N . 50676 1 1018 . 1 . 1 250 250 PRO C C 13 176.017 . . . . . . . . 250 PRO C . 50676 1 1019 . 1 . 1 250 250 PRO CA C 13 62.359 . . . . . . . . 250 PRO CA . 50676 1 1020 . 1 . 1 250 250 PRO CB C 13 30.721 . . . . . . . . 250 PRO CB . 50676 1 1021 . 1 . 1 251 251 PHE H H 1 7.623 . . . . . . . . 251 PHE H . 50676 1 1022 . 1 . 1 251 251 PHE C C 13 176.813 . . . . . . . . 251 PHE C . 50676 1 1023 . 1 . 1 251 251 PHE CA C 13 57.936 . . . . . . . . 251 PHE CA . 50676 1 1024 . 1 . 1 251 251 PHE CB C 13 38.213 . . . . . . . . 251 PHE CB . 50676 1 1025 . 1 . 1 251 251 PHE N N 15 118.648 . . . . . . . . 251 PHE N . 50676 1 1026 . 1 . 1 252 252 ASN H H 1 7.149 . . . . . . . . 252 ASN H . 50676 1 1027 . 1 . 1 252 252 ASN C C 13 175.097 . . . . . . . . 252 ASN C . 50676 1 1028 . 1 . 1 252 252 ASN CA C 13 51.432 . . . . . . . . 252 ASN CA . 50676 1 1029 . 1 . 1 252 252 ASN CB C 13 38.499 . . . . . . . . 252 ASN CB . 50676 1 1030 . 1 . 1 252 252 ASN N N 15 113.24 . . . . . . . . 252 ASN N . 50676 1 1031 . 1 . 1 253 253 ASN H H 1 7.732 . . . . . . . . 253 ASN H . 50676 1 1032 . 1 . 1 253 253 ASN C C 13 171.741 . . . . . . . . 253 ASN C . 50676 1 1033 . 1 . 1 253 253 ASN CA C 13 54.551 . . . . . . . . 253 ASN CA . 50676 1 1034 . 1 . 1 253 253 ASN CB C 13 38.213 . . . . . . . . 253 ASN CB . 50676 1 1035 . 1 . 1 253 253 ASN N N 15 114.105 . . . . . . . . 253 ASN N . 50676 1 1036 . 1 . 1 254 254 ARG H H 1 7.362 . . . . . . . . 254 ARG H . 50676 1 1037 . 1 . 1 254 254 ARG C C 13 176.514 . . . . . . . . 254 ARG C . 50676 1 1038 . 1 . 1 254 254 ARG CA C 13 54.58 . . . . . . . . 254 ARG CA . 50676 1 1039 . 1 . 1 254 254 ARG CB C 13 31.93 . . . . . . . . 254 ARG CB . 50676 1 1040 . 1 . 1 254 254 ARG N N 15 112.707 . . . . . . . . 254 ARG N . 50676 1 1041 . 1 . 1 255 255 TRP H H 1 8.683 . . . . . . . . 255 TRP H . 50676 1 1042 . 1 . 1 255 255 TRP C C 13 174.726 . . . . . . . . 255 TRP C . 50676 1 1043 . 1 . 1 255 255 TRP CA C 13 56.585 . . . . . . . . 255 TRP CA . 50676 1 1044 . 1 . 1 255 255 TRP CB C 13 30.53 . . . . . . . . 255 TRP CB . 50676 1 1045 . 1 . 1 255 255 TRP N N 15 120.641 . . . . . . . . 255 TRP N . 50676 1 1046 . 1 . 1 256 256 TYR H H 1 8.987 . . . . . . . . 256 TYR H . 50676 1 1047 . 1 . 1 256 256 TYR C C 13 175.765 . . . . . . . . 256 TYR C . 50676 1 1048 . 1 . 1 256 256 TYR CA C 13 55.856 . . . . . . . . 256 TYR CA . 50676 1 1049 . 1 . 1 256 256 TYR CB C 13 42.892 . . . . . . . . 256 TYR CB . 50676 1 1050 . 1 . 1 256 256 TYR N N 15 118.334 . . . . . . . . 256 TYR N . 50676 1 1051 . 1 . 1 257 257 GLN H H 1 8.981 . . . . . . . . 257 GLN H . 50676 1 1052 . 1 . 1 257 257 GLN C C 13 172.677 . . . . . . . . 257 GLN C . 50676 1 1053 . 1 . 1 257 257 GLN CA C 13 55.341 . . . . . . . . 257 GLN CA . 50676 1 1054 . 1 . 1 257 257 GLN CB C 13 25.899 . . . . . . . . 257 GLN CB . 50676 1 1055 . 1 . 1 257 257 GLN N N 15 121.542 . . . . . . . . 257 GLN N . 50676 1 1056 . 1 . 1 258 258 MET H H 1 8.353 . . . . . . . . 258 MET H . 50676 1 1057 . 1 . 1 258 258 MET C C 13 178.909 . . . . . . . . 258 MET C . 50676 1 1058 . 1 . 1 258 258 MET CA C 13 53.246 . . . . . . . . 258 MET CA . 50676 1 1059 . 1 . 1 258 258 MET CB C 13 31.544 . . . . . . . . 258 MET CB . 50676 1 1060 . 1 . 1 258 258 MET N N 15 121.718 . . . . . . . . 258 MET N . 50676 1 1061 . 1 . 1 259 259 GLY H H 1 8.901 . . . . . . . . 259 GLY H . 50676 1 1062 . 1 . 1 259 259 GLY C C 13 173.458 . . . . . . . . 259 GLY C . 50676 1 1063 . 1 . 1 259 259 GLY CA C 13 44.81 . . . . . . . . 259 GLY CA . 50676 1 1064 . 1 . 1 259 259 GLY N N 15 104.667 . . . . . . . . 259 GLY N . 50676 1 1065 . 1 . 1 260 260 ILE H H 1 7.847 . . . . . . . . 260 ILE H . 50676 1 1066 . 1 . 1 260 260 ILE C C 13 176.315 . . . . . . . . 260 ILE C . 50676 1 1067 . 1 . 1 260 260 ILE CA C 13 59.962 . . . . . . . . 260 ILE CA . 50676 1 1068 . 1 . 1 260 260 ILE CB C 13 41.345 . . . . . . . . 260 ILE CB . 50676 1 1069 . 1 . 1 260 260 ILE N N 15 122.004 . . . . . . . . 260 ILE N . 50676 1 1070 . 1 . 1 261 261 VAL H H 1 9.274 . . . . . . . . 261 VAL H . 50676 1 1071 . 1 . 1 261 261 VAL C C 13 175.912 . . . . . . . . 261 VAL C . 50676 1 1072 . 1 . 1 261 261 VAL CA C 13 65.19 . . . . . . . . 261 VAL CA . 50676 1 1073 . 1 . 1 261 261 VAL CB C 13 31.169 . . . . . . . . 261 VAL CB . 50676 1 1074 . 1 . 1 261 261 VAL N N 15 127.086 . . . . . . . . 261 VAL N . 50676 1 1075 . 1 . 1 262 262 SER H H 1 9.274 . . . . . . . . 262 SER H . 50676 1 1076 . 1 . 1 262 262 SER C C 13 175.912 . . . . . . . . 262 SER C . 50676 1 1077 . 1 . 1 262 262 SER CA C 13 65.19 . . . . . . . . 262 SER CA . 50676 1 1078 . 1 . 1 262 262 SER CB C 13 31.169 . . . . . . . . 262 SER CB . 50676 1 1079 . 1 . 1 262 262 SER N N 15 127.086 . . . . . . . . 262 SER N . 50676 1 1080 . 1 . 1 263 263 TRP H H 1 7.915 . . . . . . . . 263 TRP H . 50676 1 1081 . 1 . 1 263 263 TRP HA H 1 172.573 . . . . . . . . 263 TRP HA . 50676 1 1082 . 1 . 1 263 263 TRP CA C 13 56.138 . . . . . . . . 263 TRP CA . 50676 1 1083 . 1 . 1 263 263 TRP CB C 13 32.126 . . . . . . . . 263 TRP CB . 50676 1 1084 . 1 . 1 263 263 TRP N N 15 114.453 . . . . . . . . 263 TRP N . 50676 1 1085 . 1 . 1 264 264 GLY H H 1 8.844 . . . . . . . . 264 GLY H . 50676 1 1086 . 1 . 1 264 264 GLY C C 13 171.139 . . . . . . . . 264 GLY C . 50676 1 1087 . 1 . 1 264 264 GLY CA C 13 44.777 . . . . . . . . 264 GLY CA . 50676 1 1088 . 1 . 1 264 264 GLY N N 15 107.194 . . . . . . . . 264 GLY N . 50676 1 1089 . 1 . 1 265 265 GLU H H 1 9.348 . . . . . . . . 265 GLU H . 50676 1 1090 . 1 . 1 265 265 GLU C C 13 175.587 . . . . . . . . 265 GLU C . 50676 1 1091 . 1 . 1 265 265 GLU CA C 13 55.924 . . . . . . . . 265 GLU CA . 50676 1 1092 . 1 . 1 265 265 GLU CB C 13 30.888 . . . . . . . . 265 GLU CB . 50676 1 1093 . 1 . 1 265 265 GLU N N 15 124.82 . . . . . . . . 265 GLU N . 50676 1 1094 . 1 . 1 266 266 GLY H H 1 8.637 . . . . . . . . 266 GLY H . 50676 1 1095 . 1 . 1 266 266 GLY C C 13 174.482 . . . . . . . . 266 GLY C . 50676 1 1096 . 1 . 1 266 266 GLY CA C 13 43.757 . . . . . . . . 266 GLY CA . 50676 1 1097 . 1 . 1 266 266 GLY N N 15 113.674 . . . . . . . . 266 GLY N . 50676 1 1098 . 1 . 1 267 267 CYS H H 1 9.106 . . . . . . . . 267 CYS H . 50676 1 1099 . 1 . 1 267 267 CYS C C 13 173.044 . . . . . . . . 267 CYS C . 50676 1 1100 . 1 . 1 267 267 CYS CA C 13 55.121 . . . . . . . . 267 CYS CA . 50676 1 1101 . 1 . 1 267 267 CYS CB C 13 45.632 . . . . . . . . 267 CYS CB . 50676 1 1102 . 1 . 1 267 267 CYS N N 15 117.693 . . . . . . . . 267 CYS N . 50676 1 1103 . 1 . 1 268 268 ASP H H 1 10.651 . . . . . . . . 268 ASP H . 50676 1 1104 . 1 . 1 268 268 ASP C C 13 175.355 . . . . . . . . 268 ASP C . 50676 1 1105 . 1 . 1 268 268 ASP CA C 13 54.96 . . . . . . . . 268 ASP CA . 50676 1 1106 . 1 . 1 268 268 ASP CB C 13 42.496 . . . . . . . . 268 ASP CB . 50676 1 1107 . 1 . 1 268 268 ASP N N 15 126.387 . . . . . . . . 268 ASP N . 50676 1 1108 . 1 . 1 269 269 ARG H H 1 8.293 . . . . . . . . 269 ARG H . 50676 1 1109 . 1 . 1 269 269 ARG C C 13 179.015 . . . . . . . . 269 ARG C . 50676 1 1110 . 1 . 1 269 269 ARG CA C 13 55.516 . . . . . . . . 269 ARG CA . 50676 1 1111 . 1 . 1 269 269 ARG CB C 13 30.069 . . . . . . . . 269 ARG CB . 50676 1 1112 . 1 . 1 269 269 ARG N N 15 117.077 . . . . . . . . 269 ARG N . 50676 1 1113 . 1 . 1 270 270 ASP H H 1 9.052 . . . . . . . . 270 ASP H . 50676 1 1114 . 1 . 1 270 270 ASP C C 13 177.594 . . . . . . . . 270 ASP C . 50676 1 1115 . 1 . 1 270 270 ASP CA C 13 55.124 . . . . . . . . 270 ASP CA . 50676 1 1116 . 1 . 1 270 270 ASP CB C 13 39.355 . . . . . . . . 270 ASP CB . 50676 1 1117 . 1 . 1 270 270 ASP N N 15 125.139 . . . . . . . . 270 ASP N . 50676 1 1118 . 1 . 1 271 271 GLY H H 1 9.06 . . . . . . . . 271 GLY H . 50676 1 1119 . 1 . 1 271 271 GLY C C 13 171.84 . . . . . . . . 271 GLY C . 50676 1 1120 . 1 . 1 271 271 GLY CA C 13 44.903 . . . . . . . . 271 GLY CA . 50676 1 1121 . 1 . 1 271 271 GLY N N 15 112.143 . . . . . . . . 271 GLY N . 50676 1 1122 . 1 . 1 272 272 LYS H H 1 6.951 . . . . . . . . 272 LYS H . 50676 1 1123 . 1 . 1 272 272 LYS C C 13 174.949 . . . . . . . . 272 LYS C . 50676 1 1124 . 1 . 1 272 272 LYS CA C 13 51.244 . . . . . . . . 272 LYS CA . 50676 1 1125 . 1 . 1 272 272 LYS CB C 13 32.973 . . . . . . . . 272 LYS CB . 50676 1 1126 . 1 . 1 272 272 LYS N N 15 116.787 . . . . . . . . 272 LYS N . 50676 1 1127 . 1 . 1 273 273 TYR H H 1 9.203 . . . . . . . . 273 TYR H . 50676 1 1128 . 1 . 1 273 273 TYR C C 13 175.236 . . . . . . . . 273 TYR C . 50676 1 1129 . 1 . 1 273 273 TYR CA C 13 57.022 . . . . . . . . 273 TYR CA . 50676 1 1130 . 1 . 1 273 273 TYR CB C 13 43.036 . . . . . . . . 273 TYR CB . 50676 1 1131 . 1 . 1 273 273 TYR N N 15 118.99 . . . . . . . . 273 TYR N . 50676 1 1132 . 1 . 1 274 274 GLY H H 1 7.612 . . . . . . . . 274 GLY H . 50676 1 1133 . 1 . 1 274 274 GLY C C 13 172.918 . . . . . . . . 274 GLY C . 50676 1 1134 . 1 . 1 274 274 GLY CA C 13 45.504 . . . . . . . . 274 GLY CA . 50676 1 1135 . 1 . 1 274 274 GLY N N 15 108.926 . . . . . . . . 274 GLY N . 50676 1 1136 . 1 . 1 275 275 PHE H H 1 8.548 . . . . . . . . 275 PHE H . 50676 1 1137 . 1 . 1 275 275 PHE C C 13 177.168 . . . . . . . . 275 PHE C . 50676 1 1138 . 1 . 1 275 275 PHE CA C 13 57.424 . . . . . . . . 275 PHE CA . 50676 1 1139 . 1 . 1 275 275 PHE CB C 13 39.458 . . . . . . . . 275 PHE CB . 50676 1 1140 . 1 . 1 275 275 PHE N N 15 118.588 . . . . . . . . 275 PHE N . 50676 1 1141 . 1 . 1 276 276 TYR H H 1 8.782 . . . . . . . . 276 TYR H . 50676 1 1142 . 1 . 1 276 276 TYR C C 13 174.384 . . . . . . . . 276 TYR C . 50676 1 1143 . 1 . 1 276 276 TYR CA C 13 55.685 . . . . . . . . 276 TYR CA . 50676 1 1144 . 1 . 1 276 276 TYR CB C 13 40.4 . . . . . . . . 276 TYR CB . 50676 1 1145 . 1 . 1 276 276 TYR N N 15 122.723 . . . . . . . . 276 TYR N . 50676 1 1146 . 1 . 1 277 277 THR H H 1 9.171 . . . . . . . . 277 THR H . 50676 1 1147 . 1 . 1 277 277 THR C C 13 173.678 . . . . . . . . 277 THR C . 50676 1 1148 . 1 . 1 277 277 THR CA C 13 63.258 . . . . . . . . 277 THR CA . 50676 1 1149 . 1 . 1 277 277 THR CB C 13 68.469 . . . . . . . . 277 THR CB . 50676 1 1150 . 1 . 1 277 277 THR N N 15 120.587 . . . . . . . . 277 THR N . 50676 1 1151 . 1 . 1 278 278 HIS H H 1 8.486 . . . . . . . . 278 HIS H . 50676 1 1152 . 1 . 1 278 278 HIS C C 13 173.682 . . . . . . . . 278 HIS C . 50676 1 1153 . 1 . 1 278 278 HIS CA C 13 55.579 . . . . . . . . 278 HIS CA . 50676 1 1154 . 1 . 1 278 278 HIS CB C 13 31.374 . . . . . . . . 278 HIS CB . 50676 1 1155 . 1 . 1 278 278 HIS N N 15 130.569 . . . . . . . . 278 HIS N . 50676 1 1156 . 1 . 1 279 279 VAL H H 1 7.745 . . . . . . . . 279 VAL H . 50676 1 1157 . 1 . 1 279 279 VAL C C 13 177.047 . . . . . . . . 279 VAL C . 50676 1 1158 . 1 . 1 279 279 VAL CA C 13 67.648 . . . . . . . . 279 VAL CA . 50676 1 1159 . 1 . 1 279 279 VAL CB C 13 30.86 . . . . . . . . 279 VAL CB . 50676 1 1160 . 1 . 1 279 279 VAL N N 15 126.07 . . . . . . . . 279 VAL N . 50676 1 1161 . 1 . 1 280 280 PHE H H 1 9.943 . . . . . . . . 280 PHE H . 50676 1 1162 . 1 . 1 280 280 PHE C C 13 178.069 . . . . . . . . 280 PHE C . 50676 1 1163 . 1 . 1 280 280 PHE CA C 13 62.281 . . . . . . . . 280 PHE CA . 50676 1 1164 . 1 . 1 280 280 PHE CB C 13 38.797 . . . . . . . . 280 PHE CB . 50676 1 1165 . 1 . 1 280 280 PHE N N 15 119 . . . . . . . . 280 PHE N . 50676 1 1166 . 1 . 1 281 281 ARG H H 1 8.224 . . . . . . . . 281 ARG H . 50676 1 1167 . 1 . 1 281 281 ARG C C 13 177.563 . . . . . . . . 281 ARG C . 50676 1 1168 . 1 . 1 281 281 ARG CA C 13 58.068 . . . . . . . . 281 ARG CA . 50676 1 1169 . 1 . 1 281 281 ARG CB C 13 28.185 . . . . . . . . 281 ARG CB . 50676 1 1170 . 1 . 1 281 281 ARG N N 15 118.927 . . . . . . . . 281 ARG N . 50676 1 1171 . 1 . 1 282 282 LEU H H 1 7.312 . . . . . . . . 282 LEU H . 50676 1 1172 . 1 . 1 282 282 LEU C C 13 176.962 . . . . . . . . 282 LEU C . 50676 1 1173 . 1 . 1 282 282 LEU CA C 13 53.118 . . . . . . . . 282 LEU CA . 50676 1 1174 . 1 . 1 282 282 LEU CB C 13 40.847 . . . . . . . . 282 LEU CB . 50676 1 1175 . 1 . 1 282 282 LEU N N 15 119.985 . . . . . . . . 282 LEU N . 50676 1 1176 . 1 . 1 283 283 LYS H H 1 7.579 . . . . . . . . 283 LYS H . 50676 1 1177 . 1 . 1 283 283 LYS C C 13 177.202 . . . . . . . . 283 LYS C . 50676 1 1178 . 1 . 1 283 283 LYS CA C 13 59.232 . . . . . . . . 283 LYS CA . 50676 1 1179 . 1 . 1 283 283 LYS CB C 13 32.127 . . . . . . . . 283 LYS CB . 50676 1 1180 . 1 . 1 283 283 LYS N N 15 123.174 . . . . . . . . 283 LYS N . 50676 1 1181 . 1 . 1 284 284 LYS H H 1 8.358 . . . . . . . . 284 LYS H . 50676 1 1182 . 1 . 1 284 284 LYS C C 13 179.228 . . . . . . . . 284 LYS C . 50676 1 1183 . 1 . 1 284 284 LYS CA C 13 59.119 . . . . . . . . 284 LYS CA . 50676 1 1184 . 1 . 1 284 284 LYS CB C 13 30.629 . . . . . . . . 284 LYS CB . 50676 1 1185 . 1 . 1 284 284 LYS N N 15 117.98 . . . . . . . . 284 LYS N . 50676 1 1186 . 1 . 1 285 285 TRP H H 1 7.55 . . . . . . . . 285 TRP H . 50676 1 1187 . 1 . 1 285 285 TRP C C 13 175.738 . . . . . . . . 285 TRP C . 50676 1 1188 . 1 . 1 285 285 TRP CA C 13 61.686 . . . . . . . . 285 TRP CA . 50676 1 1189 . 1 . 1 285 285 TRP CB C 13 26.973 . . . . . . . . 285 TRP CB . 50676 1 1190 . 1 . 1 285 285 TRP N N 15 121.278 . . . . . . . . 285 TRP N . 50676 1 1191 . 1 . 1 286 286 ILE H H 1 7.482 . . . . . . . . 286 ILE H . 50676 1 1192 . 1 . 1 286 286 ILE C C 13 176.78 . . . . . . . . 286 ILE C . 50676 1 1193 . 1 . 1 286 286 ILE CA C 13 64.071 . . . . . . . . 286 ILE CA . 50676 1 1194 . 1 . 1 286 286 ILE CB C 13 37.634 . . . . . . . . 286 ILE CB . 50676 1 1195 . 1 . 1 286 286 ILE N N 15 117.649 . . . . . . . . 286 ILE N . 50676 1 1196 . 1 . 1 287 287 GLN H H 1 8.186 . . . . . . . . 287 GLN H . 50676 1 1197 . 1 . 1 287 287 GLN C C 13 176.942 . . . . . . . . 287 GLN C . 50676 1 1198 . 1 . 1 287 287 GLN CA C 13 57.845 . . . . . . . . 287 GLN CA . 50676 1 1199 . 1 . 1 287 287 GLN CB C 13 28.197 . . . . . . . . 287 GLN CB . 50676 1 1200 . 1 . 1 287 287 GLN N N 15 114.349 . . . . . . . . 287 GLN N . 50676 1 1201 . 1 . 1 288 288 LYS H H 1 7.397 . . . . . . . . 288 LYS H . 50676 1 1202 . 1 . 1 288 288 LYS C C 13 178.896 . . . . . . . . 288 LYS C . 50676 1 1203 . 1 . 1 288 288 LYS CA C 13 58.287 . . . . . . . . 288 LYS CA . 50676 1 1204 . 1 . 1 288 288 LYS CB C 13 31.027 . . . . . . . . 288 LYS CB . 50676 1 1205 . 1 . 1 288 288 LYS N N 15 119.503 . . . . . . . . 288 LYS N . 50676 1 1206 . 1 . 1 289 289 VAL H H 1 7.302 . . . . . . . . 289 VAL H . 50676 1 1207 . 1 . 1 289 289 VAL CA C 13 65.602 . . . . . . . . 289 VAL CA . 50676 1 1208 . 1 . 1 289 289 VAL CB C 13 30.031 . . . . . . . . 289 VAL CB . 50676 1 1209 . 1 . 1 289 289 VAL N N 15 120.227 . . . . . . . . 289 VAL N . 50676 1 1210 . 1 . 1 290 290 ILE H H 1 7.088 . . . . . . . . 290 ILE H . 50676 1 1211 . 1 . 1 290 290 ILE C C 13 178.557 . . . . . . . . 290 ILE C . 50676 1 1212 . 1 . 1 290 290 ILE CA C 13 64.388 . . . . . . . . 290 ILE CA . 50676 1 1213 . 1 . 1 290 290 ILE CB C 13 36.328 . . . . . . . . 290 ILE CB . 50676 1 1214 . 1 . 1 290 290 ILE N N 15 118.082 . . . . . . . . 290 ILE N . 50676 1 1215 . 1 . 1 291 291 ASP H H 1 8.159 . . . . . . . . 291 ASP H . 50676 1 1216 . 1 . 1 291 291 ASP C C 13 178.019 . . . . . . . . 291 ASP C . 50676 1 1217 . 1 . 1 291 291 ASP CA C 13 55.93 . . . . . . . . 291 ASP CA . 50676 1 1218 . 1 . 1 291 291 ASP CB C 13 39.997 . . . . . . . . 291 ASP CB . 50676 1 1219 . 1 . 1 291 291 ASP N N 15 119.362 . . . . . . . . 291 ASP N . 50676 1 1220 . 1 . 1 292 292 GLN H H 1 7.595 . . . . . . . . 292 GLN H . 50676 1 1221 . 1 . 1 292 292 GLN C C 13 177.125 . . . . . . . . 292 GLN C . 50676 1 1222 . 1 . 1 292 292 GLN CA C 13 57.1 . . . . . . . . 292 GLN CA . 50676 1 1223 . 1 . 1 292 292 GLN CB C 13 28.103 . . . . . . . . 292 GLN CB . 50676 1 1224 . 1 . 1 292 292 GLN N N 15 117.917 . . . . . . . . 292 GLN N . 50676 1 1225 . 1 . 1 293 293 PHE H H 1 8.053 . . . . . . . . 293 PHE H . 50676 1 1226 . 1 . 1 293 293 PHE C C 13 176.535 . . . . . . . . 293 PHE C . 50676 1 1227 . 1 . 1 293 293 PHE CA C 13 57.686 . . . . . . . . 293 PHE CA . 50676 1 1228 . 1 . 1 293 293 PHE CB C 13 38.627 . . . . . . . . 293 PHE CB . 50676 1 1229 . 1 . 1 293 293 PHE N N 15 117.911 . . . . . . . . 293 PHE N . 50676 1 1230 . 1 . 1 294 294 GLY H H 1 8.033 . . . . . . . . 294 GLY H . 50676 1 1231 . 1 . 1 294 294 GLY C C 13 173.214 . . . . . . . . 294 GLY C . 50676 1 1232 . 1 . 1 294 294 GLY CA C 13 45.596 . . . . . . . . 294 GLY CA . 50676 1 1233 . 1 . 1 294 294 GLY N N 15 110.666 . . . . . . . . 294 GLY N . 50676 1 1234 . 1 . 1 295 295 GLU H H 1 7.936 . . . . . . . . 295 GLU H . 50676 1 1235 . 1 . 1 295 295 GLU C C 13 181.282 . . . . . . . . 295 GLU C . 50676 1 1236 . 1 . 1 295 295 GLU CA C 13 57.849 . . . . . . . . 295 GLU CA . 50676 1 1237 . 1 . 1 295 295 GLU CB C 13 30.199 . . . . . . . . 295 GLU CB . 50676 1 1238 . 1 . 1 295 295 GLU N N 15 125.928 . . . . . . . . 295 GLU N . 50676 1 stop_ save_