data_27870 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27870 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for I-domain of Human Integrin alpha M (CD11b) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-04-04 _Entry.Accession_date 2019-04-04 _Entry.Last_release_date 2019-04-05 _Entry.Original_release_date 2019-04-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Wei Feng . . . . 27870 2 Xu Wang . . . . 27870 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Arizona State University' . 27870 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27870 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 480 27870 '15N chemical shifts' 165 27870 '1H chemical shifts' 165 27870 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 . . 2024-01-09 . original BMRB . 27870 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27870 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33427449 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Characterization of the Interaction between the alphaMI-Domain of the Integrin Mac-1 (alphaMbeta2) and the Cytokine Pleiotrophin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 60 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 182 _Citation.Page_last 193 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Wei Feng W. . . . 27870 1 2 Hoa Nguyen H. . . . 27870 1 3 Di Shen D. . . . 27870 1 4 Hanqing Deng H. . . . 27870 1 5 Zhoumai Jiang Z. . . . 27870 1 6 Nataly Podolnikova N. . . . 27870 1 7 Tatiana Ugarova T. . . . 27870 1 8 Xu Wang X. . . . 27870 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Integrin 27870 1 Mac-1 27870 1 PF4 27870 1 Pleiotrophin 27870 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27870 _Assembly.ID 1 _Assembly.Name aMID-assembly _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 aMID 1 $aMID A . yes native no no . . . 27870 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'adhesion receptor' 27870 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_aMID _Entity.Sf_category entity _Entity.Sf_framecode aMID _Entity.Entry_ID 27870 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name aMID _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 ; EDSDIAFLIDGSGSIIPHDF RRMKEFVSTVMEQLKKSKTL FSLMQYSEEFRIHFTFKEFQ NNPNPRSLVKPITQLLGRTH TATGIRKVVRELFNITNGAR KNAFKILVVITDGEKFGDPL GYEDVIPEADREGVIRYVIG VGDAFRSEKSRQELNTIASK PPRDHVFQVNNFEALKTIQN QLREKIFAIEGTQT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Numbering starts at 138.' _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 194 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'I-domain of integrin alpha M (residues 131 to 324).' _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 . yes UNP p11215 . 'Human integrain alpha-M' . . . . . . . . . . . . . . 27870 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'adhesion receptor' 27870 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 1 131 GLU . 27870 1 2 132 ASP . 27870 1 3 133 SER . 27870 1 4 134 ASP . 27870 1 5 135 ILE . 27870 1 6 136 ALA . 27870 1 7 137 PHE . 27870 1 8 138 LEU . 27870 1 9 139 ILE . 27870 1 10 140 ASP . 27870 1 11 141 GLY . 27870 1 12 142 SER . 27870 1 13 143 GLY . 27870 1 14 144 SER . 27870 1 15 145 ILE . 27870 1 16 146 ILE . 27870 1 17 147 PRO . 27870 1 18 148 HIS . 27870 1 19 149 ASP . 27870 1 20 150 PHE . 27870 1 21 151 ARG . 27870 1 22 152 ARG . 27870 1 23 153 MET . 27870 1 24 154 LYS . 27870 1 25 155 GLU . 27870 1 26 156 PHE . 27870 1 27 157 VAL . 27870 1 28 158 SER . 27870 1 29 159 THR . 27870 1 30 160 VAL . 27870 1 31 161 MET . 27870 1 32 162 GLU . 27870 1 33 163 GLN . 27870 1 34 164 LEU . 27870 1 35 165 LYS . 27870 1 36 166 LYS . 27870 1 37 167 SER . 27870 1 38 168 LYS . 27870 1 39 169 THR . 27870 1 40 170 LEU . 27870 1 41 171 PHE . 27870 1 42 172 SER . 27870 1 43 173 LEU . 27870 1 44 174 MET . 27870 1 45 175 GLN . 27870 1 46 176 TYR . 27870 1 47 177 SER . 27870 1 48 178 GLU . 27870 1 49 179 GLU . 27870 1 50 180 PHE . 27870 1 51 181 ARG . 27870 1 52 182 ILE . 27870 1 53 183 HIS . 27870 1 54 184 PHE . 27870 1 55 185 THR . 27870 1 56 186 PHE . 27870 1 57 187 LYS . 27870 1 58 188 GLU . 27870 1 59 189 PHE . 27870 1 60 190 GLN . 27870 1 61 191 ASN . 27870 1 62 192 ASN . 27870 1 63 193 PRO . 27870 1 64 194 ASN . 27870 1 65 195 PRO . 27870 1 66 196 ARG . 27870 1 67 197 SER . 27870 1 68 198 LEU . 27870 1 69 199 VAL . 27870 1 70 200 LYS . 27870 1 71 201 PRO . 27870 1 72 202 ILE . 27870 1 73 203 THR . 27870 1 74 204 GLN . 27870 1 75 205 LEU . 27870 1 76 206 LEU . 27870 1 77 207 GLY . 27870 1 78 208 ARG . 27870 1 79 209 THR . 27870 1 80 210 HIS . 27870 1 81 211 THR . 27870 1 82 212 ALA . 27870 1 83 213 THR . 27870 1 84 214 GLY . 27870 1 85 215 ILE . 27870 1 86 216 ARG . 27870 1 87 217 LYS . 27870 1 88 218 VAL . 27870 1 89 219 VAL . 27870 1 90 220 ARG . 27870 1 91 221 GLU . 27870 1 92 222 LEU . 27870 1 93 223 PHE . 27870 1 94 224 ASN . 27870 1 95 225 ILE . 27870 1 96 226 THR . 27870 1 97 227 ASN . 27870 1 98 228 GLY . 27870 1 99 229 ALA . 27870 1 100 230 ARG . 27870 1 101 231 LYS . 27870 1 102 232 ASN . 27870 1 103 233 ALA . 27870 1 104 234 PHE . 27870 1 105 235 LYS . 27870 1 106 236 ILE . 27870 1 107 237 LEU . 27870 1 108 238 VAL . 27870 1 109 239 VAL . 27870 1 110 240 ILE . 27870 1 111 241 THR . 27870 1 112 242 ASP . 27870 1 113 243 GLY . 27870 1 114 244 GLU . 27870 1 115 245 LYS . 27870 1 116 246 PHE . 27870 1 117 247 GLY . 27870 1 118 248 ASP . 27870 1 119 249 PRO . 27870 1 120 250 LEU . 27870 1 121 251 GLY . 27870 1 122 252 TYR . 27870 1 123 253 GLU . 27870 1 124 254 ASP . 27870 1 125 255 VAL . 27870 1 126 256 ILE . 27870 1 127 257 PRO . 27870 1 128 258 GLU . 27870 1 129 259 ALA . 27870 1 130 260 ASP . 27870 1 131 261 ARG . 27870 1 132 262 GLU . 27870 1 133 263 GLY . 27870 1 134 264 VAL . 27870 1 135 265 ILE . 27870 1 136 266 ARG . 27870 1 137 267 TYR . 27870 1 138 268 VAL . 27870 1 139 269 ILE . 27870 1 140 270 GLY . 27870 1 141 271 VAL . 27870 1 142 272 GLY . 27870 1 143 273 ASP . 27870 1 144 274 ALA . 27870 1 145 275 PHE . 27870 1 146 276 ARG . 27870 1 147 277 SER . 27870 1 148 278 GLU . 27870 1 149 279 LYS . 27870 1 150 280 SER . 27870 1 151 281 ARG . 27870 1 152 282 GLN . 27870 1 153 283 GLU . 27870 1 154 284 LEU . 27870 1 155 285 ASN . 27870 1 156 286 THR . 27870 1 157 287 ILE . 27870 1 158 288 ALA . 27870 1 159 289 SER . 27870 1 160 290 LYS . 27870 1 161 291 PRO . 27870 1 162 292 PRO . 27870 1 163 293 ARG . 27870 1 164 294 ASP . 27870 1 165 295 HIS . 27870 1 166 296 VAL . 27870 1 167 297 PHE . 27870 1 168 298 GLN . 27870 1 169 299 VAL . 27870 1 170 300 ASN . 27870 1 171 301 ASN . 27870 1 172 302 PHE . 27870 1 173 303 GLU . 27870 1 174 304 ALA . 27870 1 175 305 LEU . 27870 1 176 306 LYS . 27870 1 177 307 THR . 27870 1 178 308 ILE . 27870 1 179 309 GLN . 27870 1 180 310 ASN . 27870 1 181 311 GLN . 27870 1 182 312 LEU . 27870 1 183 313 ARG . 27870 1 184 314 GLU . 27870 1 185 315 LYS . 27870 1 186 316 ILE . 27870 1 187 317 PHE . 27870 1 188 318 ALA . 27870 1 189 319 ILE . 27870 1 190 320 GLU . 27870 1 191 321 GLY . 27870 1 192 322 THR . 27870 1 193 323 GLN . 27870 1 194 324 THR . 27870 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 . GLU 1 1 27870 1 . ASP 2 2 27870 1 . SER 3 3 27870 1 . ASP 4 4 27870 1 . ILE 5 5 27870 1 . ALA 6 6 27870 1 . PHE 7 7 27870 1 . LEU 8 8 27870 1 . ILE 9 9 27870 1 . ASP 10 10 27870 1 . GLY 11 11 27870 1 . SER 12 12 27870 1 . GLY 13 13 27870 1 . SER 14 14 27870 1 . ILE 15 15 27870 1 . ILE 16 16 27870 1 . PRO 17 17 27870 1 . HIS 18 18 27870 1 . ASP 19 19 27870 1 . PHE 20 20 27870 1 . ARG 21 21 27870 1 . ARG 22 22 27870 1 . MET 23 23 27870 1 . LYS 24 24 27870 1 . GLU 25 25 27870 1 . PHE 26 26 27870 1 . VAL 27 27 27870 1 . SER 28 28 27870 1 . THR 29 29 27870 1 . VAL 30 30 27870 1 . MET 31 31 27870 1 . GLU 32 32 27870 1 . GLN 33 33 27870 1 . LEU 34 34 27870 1 . LYS 35 35 27870 1 . LYS 36 36 27870 1 . SER 37 37 27870 1 . LYS 38 38 27870 1 . THR 39 39 27870 1 . LEU 40 40 27870 1 . PHE 41 41 27870 1 . SER 42 42 27870 1 . LEU 43 43 27870 1 . MET 44 44 27870 1 . GLN 45 45 27870 1 . TYR 46 46 27870 1 . SER 47 47 27870 1 . GLU 48 48 27870 1 . GLU 49 49 27870 1 . PHE 50 50 27870 1 . ARG 51 51 27870 1 . ILE 52 52 27870 1 . HIS 53 53 27870 1 . PHE 54 54 27870 1 . THR 55 55 27870 1 . PHE 56 56 27870 1 . LYS 57 57 27870 1 . GLU 58 58 27870 1 . PHE 59 59 27870 1 . GLN 60 60 27870 1 . ASN 61 61 27870 1 . ASN 62 62 27870 1 . PRO 63 63 27870 1 . ASN 64 64 27870 1 . PRO 65 65 27870 1 . ARG 66 66 27870 1 . SER 67 67 27870 1 . LEU 68 68 27870 1 . VAL 69 69 27870 1 . LYS 70 70 27870 1 . PRO 71 71 27870 1 . ILE 72 72 27870 1 . THR 73 73 27870 1 . GLN 74 74 27870 1 . LEU 75 75 27870 1 . LEU 76 76 27870 1 . GLY 77 77 27870 1 . ARG 78 78 27870 1 . THR 79 79 27870 1 . HIS 80 80 27870 1 . THR 81 81 27870 1 . ALA 82 82 27870 1 . THR 83 83 27870 1 . GLY 84 84 27870 1 . ILE 85 85 27870 1 . ARG 86 86 27870 1 . LYS 87 87 27870 1 . VAL 88 88 27870 1 . VAL 89 89 27870 1 . ARG 90 90 27870 1 . GLU 91 91 27870 1 . LEU 92 92 27870 1 . PHE 93 93 27870 1 . ASN 94 94 27870 1 . ILE 95 95 27870 1 . THR 96 96 27870 1 . ASN 97 97 27870 1 . GLY 98 98 27870 1 . ALA 99 99 27870 1 . ARG 100 100 27870 1 . LYS 101 101 27870 1 . ASN 102 102 27870 1 . ALA 103 103 27870 1 . PHE 104 104 27870 1 . LYS 105 105 27870 1 . ILE 106 106 27870 1 . LEU 107 107 27870 1 . VAL 108 108 27870 1 . VAL 109 109 27870 1 . ILE 110 110 27870 1 . THR 111 111 27870 1 . ASP 112 112 27870 1 . GLY 113 113 27870 1 . GLU 114 114 27870 1 . LYS 115 115 27870 1 . PHE 116 116 27870 1 . GLY 117 117 27870 1 . ASP 118 118 27870 1 . PRO 119 119 27870 1 . LEU 120 120 27870 1 . GLY 121 121 27870 1 . TYR 122 122 27870 1 . GLU 123 123 27870 1 . ASP 124 124 27870 1 . VAL 125 125 27870 1 . ILE 126 126 27870 1 . PRO 127 127 27870 1 . GLU 128 128 27870 1 . ALA 129 129 27870 1 . ASP 130 130 27870 1 . ARG 131 131 27870 1 . GLU 132 132 27870 1 . GLY 133 133 27870 1 . VAL 134 134 27870 1 . ILE 135 135 27870 1 . ARG 136 136 27870 1 . TYR 137 137 27870 1 . VAL 138 138 27870 1 . ILE 139 139 27870 1 . GLY 140 140 27870 1 . VAL 141 141 27870 1 . GLY 142 142 27870 1 . ASP 143 143 27870 1 . ALA 144 144 27870 1 . PHE 145 145 27870 1 . ARG 146 146 27870 1 . SER 147 147 27870 1 . GLU 148 148 27870 1 . LYS 149 149 27870 1 . SER 150 150 27870 1 . ARG 151 151 27870 1 . GLN 152 152 27870 1 . GLU 153 153 27870 1 . LEU 154 154 27870 1 . ASN 155 155 27870 1 . THR 156 156 27870 1 . ILE 157 157 27870 1 . ALA 158 158 27870 1 . SER 159 159 27870 1 . LYS 160 160 27870 1 . PRO 161 161 27870 1 . PRO 162 162 27870 1 . ARG 163 163 27870 1 . ASP 164 164 27870 1 . HIS 165 165 27870 1 . VAL 166 166 27870 1 . PHE 167 167 27870 1 . GLN 168 168 27870 1 . VAL 169 169 27870 1 . ASN 170 170 27870 1 . ASN 171 171 27870 1 . PHE 172 172 27870 1 . GLU 173 173 27870 1 . ALA 174 174 27870 1 . LEU 175 175 27870 1 . LYS 176 176 27870 1 . THR 177 177 27870 1 . ILE 178 178 27870 1 . GLN 179 179 27870 1 . ASN 180 180 27870 1 . GLN 181 181 27870 1 . LEU 182 182 27870 1 . ARG 183 183 27870 1 . GLU 184 184 27870 1 . LYS 185 185 27870 1 . ILE 186 186 27870 1 . PHE 187 187 27870 1 . ALA 188 188 27870 1 . ILE 189 189 27870 1 . GLU 190 190 27870 1 . GLY 191 191 27870 1 . THR 192 192 27870 1 . GLN 193 193 27870 1 . THR 194 194 27870 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27870 _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 $aMID . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27870 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27870 _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 $aMID . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 BL21(DE3) . . . . pHUE . . . 27870 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27870 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 aMID '[U-100% 13C; U-100% 15N]' . . 1 $aMID . . 0.4 . . mM 0.05 . . . 27870 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM 1 . . . 27870 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 27870 1 4 D2O 'natural abundance' . . . . . . 10 . . v/v 1 . . . 27870 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 27870 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.12 0.005 M 27870 1 pH 7 0.1 pH 27870 1 pressure 1 . atm 27870 1 temperature 298 0.1 K 27870 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27870 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27870 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27870 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27870 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27870 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 27870 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27870 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27870 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 27870 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27870 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'with Prodigy probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27870 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'with Prodigy probe' . . 27870 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27870 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27870 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27870 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27870 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27870 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27870 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27870 1 7 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27870 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27870 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.00 na indirect 0.251449530 . . . . . 27870 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27870 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27870 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27870 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27870 1 2 '3D HNCO' . . . 27870 1 3 '3D HNCA' . . . 27870 1 4 '3D HNCACB' . . . 27870 1 5 '3D CBCA(CO)NH' . . . 27870 1 6 '3D HN(CO)CA' . . . 27870 1 7 '3D C(CO)NH' . . . 27870 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLU C C 13 175.230 0.4 . 1 . . . . . 131 GLU C . 27870 1 2 . 1 . 1 1 1 GLU CA C 13 56.000 0.4 . 1 . . . . . 131 GLU CA . 27870 1 3 . 1 . 1 1 1 GLU CB C 13 31.820 0.4 . 1 . . . . . 131 GLU CB . 27870 1 4 . 1 . 1 2 2 ASP H H 1 8.392 0.03 . 1 . . . . . 132 ASP H . 27870 1 5 . 1 . 1 2 2 ASP C C 13 174.550 0.4 . 1 . . . . . 132 ASP C . 27870 1 6 . 1 . 1 2 2 ASP CA C 13 54.890 0.4 . 1 . . . . . 132 ASP CA . 27870 1 7 . 1 . 1 2 2 ASP CB C 13 41.480 0.4 . 1 . . . . . 132 ASP CB . 27870 1 8 . 1 . 1 2 2 ASP N N 15 120.409 0.4 . 1 . . . . . 132 ASP N . 27870 1 9 . 1 . 1 3 3 SER H H 1 7.640 0.03 . 1 . . . . . 133 SER H . 27870 1 10 . 1 . 1 3 3 SER C C 13 170.910 0.4 . 1 . . . . . 133 SER C . 27870 1 11 . 1 . 1 3 3 SER CA C 13 58.700 0.4 . 1 . . . . . 133 SER CA . 27870 1 12 . 1 . 1 3 3 SER CB C 13 65.800 0.4 . 1 . . . . . 133 SER CB . 27870 1 13 . 1 . 1 3 3 SER N N 15 113.492 0.4 . 1 . . . . . 133 SER N . 27870 1 14 . 1 . 1 4 4 ASP H H 1 9.123 0.03 . 1 . . . . . 134 ASP H . 27870 1 15 . 1 . 1 4 4 ASP C C 13 176.960 0.4 . 1 . . . . . 134 ASP C . 27870 1 16 . 1 . 1 4 4 ASP CA C 13 52.930 0.4 . 1 . . . . . 134 ASP CA . 27870 1 17 . 1 . 1 4 4 ASP N N 15 130.163 0.4 . 1 . . . . . 134 ASP N . 27870 1 18 . 1 . 1 5 5 ILE H H 1 7.851 0.03 . 1 . . . . . 135 ILE H . 27870 1 19 . 1 . 1 5 5 ILE C C 13 174.030 0.4 . 1 . . . . . 135 ILE C . 27870 1 20 . 1 . 1 5 5 ILE CA C 13 60.200 0.4 . 1 . . . . . 135 ILE CA . 27870 1 21 . 1 . 1 5 5 ILE N N 15 120.082 0.4 . 1 . . . . . 135 ILE N . 27870 1 22 . 1 . 1 6 6 ALA H H 1 9.916 0.03 . 1 . . . . . 136 ALA H . 27870 1 23 . 1 . 1 6 6 ALA CA C 13 48.750 0.4 . 1 . . . . . 136 ALA CA . 27870 1 24 . 1 . 1 6 6 ALA CB C 13 22.870 0.4 . 1 . . . . . 136 ALA CB . 27870 1 25 . 1 . 1 6 6 ALA N N 15 129.225 0.4 . 1 . . . . . 136 ALA N . 27870 1 26 . 1 . 1 7 7 PHE H H 1 8.592 0.03 . 1 . . . . . 137 PHE H . 27870 1 27 . 1 . 1 7 7 PHE C C 13 173.430 0.4 . 1 . . . . . 137 PHE C . 27870 1 28 . 1 . 1 7 7 PHE CA C 13 55.790 0.4 . 1 . . . . . 137 PHE CA . 27870 1 29 . 1 . 1 7 7 PHE CB C 13 42.800 0.4 . 1 . . . . . 137 PHE CB . 27870 1 30 . 1 . 1 7 7 PHE N N 15 119.072 0.4 . 1 . . . . . 137 PHE N . 27870 1 31 . 1 . 1 8 8 LEU H H 1 9.224 0.03 . 1 . . . . . 138 LEU H . 27870 1 32 . 1 . 1 8 8 LEU C C 13 175.020 0.4 . 1 . . . . . 138 LEU C . 27870 1 33 . 1 . 1 8 8 LEU CA C 13 52.930 0.4 . 1 . . . . . 138 LEU CA . 27870 1 34 . 1 . 1 8 8 LEU N N 15 125.701 0.4 . 1 . . . . . 138 LEU N . 27870 1 35 . 1 . 1 9 9 ILE H H 1 9.053 0.03 . 1 . . . . . 139 ILE H . 27870 1 36 . 1 . 1 9 9 ILE C C 13 173.170 0.4 . 1 . . . . . 139 ILE C . 27870 1 37 . 1 . 1 9 9 ILE CA C 13 58.590 0.4 . 1 . . . . . 139 ILE CA . 27870 1 38 . 1 . 1 9 9 ILE N N 15 117.513 0.4 . 1 . . . . . 139 ILE N . 27870 1 39 . 1 . 1 10 10 ASP H H 1 7.896 0.03 . 1 . . . . . 140 ASP H . 27870 1 40 . 1 . 1 10 10 ASP C C 13 173.120 0.4 . 1 . . . . . 140 ASP C . 27870 1 41 . 1 . 1 10 10 ASP CA C 13 53.600 0.4 . 1 . . . . . 140 ASP CA . 27870 1 42 . 1 . 1 10 10 ASP CB C 13 41.400 0.4 . 1 . . . . . 140 ASP CB . 27870 1 43 . 1 . 1 10 10 ASP N N 15 128.143 0.4 . 1 . . . . . 140 ASP N . 27870 1 44 . 1 . 1 11 11 GLY H H 1 8.836 0.03 . 1 . . . . . 141 GLY H . 27870 1 45 . 1 . 1 11 11 GLY CA C 13 43.910 0.4 . 1 . . . . . 141 GLY CA . 27870 1 46 . 1 . 1 11 11 GLY N N 15 111.570 0.4 . 1 . . . . . 141 GLY N . 27870 1 47 . 1 . 1 12 12 SER C C 13 175.300 0.4 . 1 . . . . . 142 SER C . 27870 1 48 . 1 . 1 12 12 SER CA C 13 58.500 0.4 . 1 . . . . . 142 SER CA . 27870 1 49 . 1 . 1 13 13 GLY H H 1 9.108 0.03 . 1 . . . . . 143 GLY H . 27870 1 50 . 1 . 1 13 13 GLY C C 13 173.960 0.4 . 1 . . . . . 143 GLY C . 27870 1 51 . 1 . 1 13 13 GLY CA C 13 45.900 0.4 . 1 . . . . . 143 GLY CA . 27870 1 52 . 1 . 1 13 13 GLY N N 15 104.942 0.4 . 1 . . . . . 143 GLY N . 27870 1 53 . 1 . 1 14 14 SER H H 1 7.583 0.03 . 1 . . . . . 144 SER H . 27870 1 54 . 1 . 1 14 14 SER C C 13 174.180 0.4 . 1 . . . . . 144 SER C . 27870 1 55 . 1 . 1 14 14 SER CA C 13 59.150 0.4 . 1 . . . . . 144 SER CA . 27870 1 56 . 1 . 1 14 14 SER CB C 13 61.660 0.4 . 1 . . . . . 144 SER CB . 27870 1 57 . 1 . 1 14 14 SER N N 15 113.813 0.4 . 1 . . . . . 144 SER N . 27870 1 58 . 1 . 1 15 15 ILE H H 1 7.324 0.03 . 1 . . . . . 145 ILE H . 27870 1 59 . 1 . 1 15 15 ILE C C 13 176.540 0.4 . 1 . . . . . 145 ILE C . 27870 1 60 . 1 . 1 15 15 ILE CA C 13 60.660 0.4 . 1 . . . . . 145 ILE CA . 27870 1 61 . 1 . 1 15 15 ILE CB C 13 38.000 0.4 . 1 . . . . . 145 ILE CB . 27870 1 62 . 1 . 1 15 15 ILE N N 15 124.648 0.4 . 1 . . . . . 145 ILE N . 27870 1 63 . 1 . 1 16 16 ILE H H 1 8.960 0.03 . 1 . . . . . 146 ILE H . 27870 1 64 . 1 . 1 16 16 ILE CA C 13 60.650 0.4 . 1 . . . . . 146 ILE CA . 27870 1 65 . 1 . 1 16 16 ILE CB C 13 35.340 0.4 . 1 . . . . . 146 ILE CB . 27870 1 66 . 1 . 1 16 16 ILE N N 15 125.210 0.4 . 1 . . . . . 146 ILE N . 27870 1 67 . 1 . 1 17 17 PRO C C 13 179.970 0.4 . 1 . . . . . 147 PRO C . 27870 1 68 . 1 . 1 17 17 PRO CA C 13 66.700 0.4 . 1 . . . . . 147 PRO CA . 27870 1 69 . 1 . 1 17 17 PRO CB C 13 34.400 0.4 . 1 . . . . . 147 PRO CB . 27870 1 70 . 1 . 1 18 18 HIS H H 1 8.743 0.03 . 1 . . . . . 148 HIS H . 27870 1 71 . 1 . 1 18 18 HIS C C 13 178.150 0.4 . 1 . . . . . 148 HIS C . 27870 1 72 . 1 . 1 18 18 HIS CA C 13 58.800 0.4 . 1 . . . . . 148 HIS CA . 27870 1 73 . 1 . 1 18 18 HIS CB C 13 30.700 0.4 . 1 . . . . . 148 HIS CB . 27870 1 74 . 1 . 1 18 18 HIS N N 15 115.692 0.4 . 1 . . . . . 148 HIS N . 27870 1 75 . 1 . 1 19 19 ASP H H 1 7.216 0.03 . 1 . . . . . 149 ASP H . 27870 1 76 . 1 . 1 19 19 ASP C C 13 177.000 0.4 . 1 . . . . . 149 ASP C . 27870 1 77 . 1 . 1 19 19 ASP CA C 13 56.360 0.4 . 1 . . . . . 149 ASP CA . 27870 1 78 . 1 . 1 19 19 ASP CB C 13 39.940 0.4 . 1 . . . . . 149 ASP CB . 27870 1 79 . 1 . 1 19 19 ASP N N 15 120.372 0.4 . 1 . . . . . 149 ASP N . 27870 1 80 . 1 . 1 20 20 PHE H H 1 8.173 0.03 . 1 . . . . . 150 PHE H . 27870 1 81 . 1 . 1 20 20 PHE C C 13 177.690 0.4 . 1 . . . . . 150 PHE C . 27870 1 82 . 1 . 1 20 20 PHE CA C 13 62.270 0.4 . 1 . . . . . 150 PHE CA . 27870 1 83 . 1 . 1 20 20 PHE CB C 13 38.330 0.4 . 1 . . . . . 150 PHE CB . 27870 1 84 . 1 . 1 20 20 PHE N N 15 123.944 0.4 . 1 . . . . . 150 PHE N . 27870 1 85 . 1 . 1 21 21 ARG H H 1 7.886 0.03 . 1 . . . . . 151 ARG H . 27870 1 86 . 1 . 1 21 21 ARG C C 13 179.000 0.4 . 1 . . . . . 151 ARG C . 27870 1 87 . 1 . 1 21 21 ARG CA C 13 60.030 0.4 . 1 . . . . . 151 ARG CA . 27870 1 88 . 1 . 1 21 21 ARG N N 15 117.219 0.4 . 1 . . . . . 151 ARG N . 27870 1 89 . 1 . 1 22 22 ARG H H 1 7.674 0.03 . 1 . . . . . 152 ARG H . 27870 1 90 . 1 . 1 22 22 ARG C C 13 179.750 0.4 . 1 . . . . . 152 ARG C . 27870 1 91 . 1 . 1 22 22 ARG CA C 13 59.010 0.4 . 1 . . . . . 152 ARG CA . 27870 1 92 . 1 . 1 22 22 ARG CB C 13 29.800 0.4 . 1 . . . . . 152 ARG CB . 27870 1 93 . 1 . 1 22 22 ARG N N 15 119.633 0.4 . 1 . . . . . 152 ARG N . 27870 1 94 . 1 . 1 23 23 MET H H 1 8.394 0.03 . 1 . . . . . 153 MET H . 27870 1 95 . 1 . 1 23 23 MET C C 13 177.400 0.4 . 1 . . . . . 153 MET C . 27870 1 96 . 1 . 1 23 23 MET CA C 13 59.700 0.4 . 1 . . . . . 153 MET CA . 27870 1 97 . 1 . 1 23 23 MET N N 15 122.057 0.4 . 1 . . . . . 153 MET N . 27870 1 98 . 1 . 1 24 24 LYS H H 1 7.943 0.03 . 1 . . . . . 154 LYS H . 27870 1 99 . 1 . 1 24 24 LYS C C 13 178.290 0.4 . 1 . . . . . 154 LYS C . 27870 1 100 . 1 . 1 24 24 LYS CA C 13 60.700 0.4 . 1 . . . . . 154 LYS CA . 27870 1 101 . 1 . 1 24 24 LYS CB C 13 30.980 0.4 . 1 . . . . . 154 LYS CB . 27870 1 102 . 1 . 1 24 24 LYS N N 15 119.059 0.4 . 1 . . . . . 154 LYS N . 27870 1 103 . 1 . 1 25 25 GLU H H 1 7.971 0.03 . 1 . . . . . 155 GLU H . 27870 1 104 . 1 . 1 25 25 GLU C C 13 178.600 0.4 . 1 . . . . . 155 GLU C . 27870 1 105 . 1 . 1 25 25 GLU CA C 13 58.700 0.4 . 1 . . . . . 155 GLU CA . 27870 1 106 . 1 . 1 25 25 GLU CB C 13 28.890 0.4 . 1 . . . . . 155 GLU CB . 27870 1 107 . 1 . 1 25 25 GLU N N 15 119.580 0.4 . 1 . . . . . 155 GLU N . 27870 1 108 . 1 . 1 26 26 PHE H H 1 8.032 0.03 . 1 . . . . . 156 PHE H . 27870 1 109 . 1 . 1 26 26 PHE C C 13 175.900 0.4 . 1 . . . . . 156 PHE C . 27870 1 110 . 1 . 1 26 26 PHE CA C 13 60.650 0.4 . 1 . . . . . 156 PHE CA . 27870 1 111 . 1 . 1 26 26 PHE CB C 13 38.900 0.4 . 1 . . . . . 156 PHE CB . 27870 1 112 . 1 . 1 26 26 PHE N N 15 121.526 0.4 . 1 . . . . . 156 PHE N . 27870 1 113 . 1 . 1 27 27 VAL H H 1 8.390 0.03 . 1 . . . . . 157 VAL H . 27870 1 114 . 1 . 1 27 27 VAL C C 13 176.940 0.4 . 1 . . . . . 157 VAL C . 27870 1 115 . 1 . 1 27 27 VAL CA C 13 66.230 0.4 . 1 . . . . . 157 VAL CA . 27870 1 116 . 1 . 1 27 27 VAL CB C 13 30.800 0.4 . 1 . . . . . 157 VAL CB . 27870 1 117 . 1 . 1 27 27 VAL N N 15 117.507 0.4 . 1 . . . . . 157 VAL N . 27870 1 118 . 1 . 1 28 28 SER H H 1 7.909 0.03 . 1 . . . . . 158 SER H . 27870 1 119 . 1 . 1 28 28 SER C C 13 175.140 0.4 . 1 . . . . . 158 SER C . 27870 1 120 . 1 . 1 28 28 SER CA C 13 62.510 0.4 . 1 . . . . . 158 SER CA . 27870 1 121 . 1 . 1 28 28 SER N N 15 113.317 0.4 . 1 . . . . . 158 SER N . 27870 1 122 . 1 . 1 29 29 THR H H 1 7.777 0.03 . 1 . . . . . 159 THR H . 27870 1 123 . 1 . 1 29 29 THR CA C 13 66.100 0.4 . 1 . . . . . 159 THR CA . 27870 1 124 . 1 . 1 29 29 THR CB C 13 68.300 0.4 . 1 . . . . . 159 THR CB . 27870 1 125 . 1 . 1 29 29 THR N N 15 117.183 0.4 . 1 . . . . . 159 THR N . 27870 1 126 . 1 . 1 30 30 VAL H H 1 8.437 0.03 . 1 . . . . . 160 VAL H . 27870 1 127 . 1 . 1 30 30 VAL C C 13 177.780 0.4 . 1 . . . . . 160 VAL C . 27870 1 128 . 1 . 1 30 30 VAL CA C 13 65.800 0.4 . 1 . . . . . 160 VAL CA . 27870 1 129 . 1 . 1 30 30 VAL CB C 13 30.450 0.4 . 1 . . . . . 160 VAL CB . 27870 1 130 . 1 . 1 30 30 VAL N N 15 121.575 0.4 . 1 . . . . . 160 VAL N . 27870 1 131 . 1 . 1 31 31 MET H H 1 7.851 0.03 . 1 . . . . . 161 MET H . 27870 1 132 . 1 . 1 31 31 MET C C 13 177.690 0.4 . 1 . . . . . 161 MET C . 27870 1 133 . 1 . 1 31 31 MET CA C 13 59.820 0.4 . 1 . . . . . 161 MET CA . 27870 1 134 . 1 . 1 31 31 MET CB C 13 32.480 0.4 . 1 . . . . . 161 MET CB . 27870 1 135 . 1 . 1 31 31 MET N N 15 118.083 0.4 . 1 . . . . . 161 MET N . 27870 1 136 . 1 . 1 32 32 GLU H H 1 7.454 0.03 . 1 . . . . . 162 GLU H . 27870 1 137 . 1 . 1 32 32 GLU C C 13 179.580 0.4 . 1 . . . . . 162 GLU C . 27870 1 138 . 1 . 1 32 32 GLU CA C 13 59.350 0.4 . 1 . . . . . 162 GLU CA . 27870 1 139 . 1 . 1 32 32 GLU CB C 13 29.120 0.4 . 1 . . . . . 162 GLU CB . 27870 1 140 . 1 . 1 32 32 GLU N N 15 115.588 0.4 . 1 . . . . . 162 GLU N . 27870 1 141 . 1 . 1 33 33 GLN H H 1 7.950 0.03 . 1 . . . . . 163 GLN H . 27870 1 142 . 1 . 1 33 33 GLN C C 13 178.150 0.4 . 1 . . . . . 163 GLN C . 27870 1 143 . 1 . 1 33 33 GLN CA C 13 57.710 0.4 . 1 . . . . . 163 GLN CA . 27870 1 144 . 1 . 1 33 33 GLN N N 15 116.847 0.4 . 1 . . . . . 163 GLN N . 27870 1 145 . 1 . 1 34 34 LEU H H 1 8.194 0.03 . 1 . . . . . 164 LEU H . 27870 1 146 . 1 . 1 34 34 LEU C C 13 176.570 0.4 . 1 . . . . . 164 LEU C . 27870 1 147 . 1 . 1 34 34 LEU CA C 13 54.740 0.4 . 1 . . . . . 164 LEU CA . 27870 1 148 . 1 . 1 34 34 LEU CB C 13 43.800 0.4 . 1 . . . . . 164 LEU CB . 27870 1 149 . 1 . 1 34 34 LEU N N 15 118.246 0.4 . 1 . . . . . 164 LEU N . 27870 1 150 . 1 . 1 35 35 LYS H H 1 7.429 0.03 . 1 . . . . . 165 LYS H . 27870 1 151 . 1 . 1 35 35 LYS C C 13 175.740 0.4 . 1 . . . . . 165 LYS C . 27870 1 152 . 1 . 1 35 35 LYS CA C 13 59.000 0.4 . 1 . . . . . 165 LYS CA . 27870 1 153 . 1 . 1 35 35 LYS CB C 13 32.080 0.4 . 1 . . . . . 165 LYS CB . 27870 1 154 . 1 . 1 35 35 LYS N N 15 119.535 0.4 . 1 . . . . . 165 LYS N . 27870 1 155 . 1 . 1 36 36 LYS H H 1 7.929 0.03 . 1 . . . . . 166 LYS H . 27870 1 156 . 1 . 1 36 36 LYS CA C 13 55.150 0.4 . 1 . . . . . 166 LYS CA . 27870 1 157 . 1 . 1 36 36 LYS N N 15 126.526 0.4 . 1 . . . . . 166 LYS N . 27870 1 158 . 1 . 1 37 37 SER CA C 13 61.500 0.4 . 1 . . . . . 167 SER CA . 27870 1 159 . 1 . 1 38 38 LYS H H 1 8.305 0.03 . 1 . . . . . 168 LYS H . 27870 1 160 . 1 . 1 38 38 LYS C C 13 176.550 0.4 . 1 . . . . . 168 LYS C . 27870 1 161 . 1 . 1 38 38 LYS CA C 13 55.400 0.4 . 1 . . . . . 168 LYS CA . 27870 1 162 . 1 . 1 38 38 LYS CB C 13 31.150 0.4 . 1 . . . . . 168 LYS CB . 27870 1 163 . 1 . 1 38 38 LYS N N 15 117.427 0.4 . 1 . . . . . 168 LYS N . 27870 1 164 . 1 . 1 39 39 THR H H 1 7.707 0.03 . 1 . . . . . 169 THR H . 27870 1 165 . 1 . 1 39 39 THR C C 13 173.740 0.4 . 1 . . . . . 169 THR C . 27870 1 166 . 1 . 1 39 39 THR CA C 13 62.970 0.4 . 1 . . . . . 169 THR CA . 27870 1 167 . 1 . 1 39 39 THR CB C 13 69.420 0.4 . 1 . . . . . 169 THR CB . 27870 1 168 . 1 . 1 39 39 THR N N 15 119.028 0.4 . 1 . . . . . 169 THR N . 27870 1 169 . 1 . 1 40 40 LEU H H 1 8.181 0.03 . 1 . . . . . 170 LEU H . 27870 1 170 . 1 . 1 40 40 LEU C C 13 173.590 0.4 . 1 . . . . . 170 LEU C . 27870 1 171 . 1 . 1 40 40 LEU CA C 13 53.190 0.4 . 1 . . . . . 170 LEU CA . 27870 1 172 . 1 . 1 40 40 LEU CB C 13 46.100 0.4 . 1 . . . . . 170 LEU CB . 27870 1 173 . 1 . 1 40 40 LEU N N 15 124.323 0.4 . 1 . . . . . 170 LEU N . 27870 1 174 . 1 . 1 41 41 PHE H H 1 5.462 0.03 . 1 . . . . . 171 PHE H . 27870 1 175 . 1 . 1 41 41 PHE C C 13 173.530 0.4 . 1 . . . . . 171 PHE C . 27870 1 176 . 1 . 1 41 41 PHE CA C 13 55.230 0.4 . 1 . . . . . 171 PHE CA . 27870 1 177 . 1 . 1 41 41 PHE CB C 13 44.800 0.4 . 1 . . . . . 171 PHE CB . 27870 1 178 . 1 . 1 41 41 PHE N N 15 115.437 0.4 . 1 . . . . . 171 PHE N . 27870 1 179 . 1 . 1 42 42 SER H H 1 7.927 0.03 . 1 . . . . . 172 SER H . 27870 1 180 . 1 . 1 42 42 SER C C 13 172.280 0.4 . 1 . . . . . 172 SER C . 27870 1 181 . 1 . 1 42 42 SER CA C 13 55.740 0.4 . 1 . . . . . 172 SER CA . 27870 1 182 . 1 . 1 42 42 SER CB C 13 64.100 0.4 . 1 . . . . . 172 SER CB . 27870 1 183 . 1 . 1 42 42 SER N N 15 109.174 0.4 . 1 . . . . . 172 SER N . 27870 1 184 . 1 . 1 43 43 LEU H H 1 7.061 0.03 . 1 . . . . . 173 LEU H . 27870 1 185 . 1 . 1 43 43 LEU C C 13 173.560 0.4 . 1 . . . . . 173 LEU C . 27870 1 186 . 1 . 1 43 43 LEU CA C 13 54.050 0.4 . 1 . . . . . 173 LEU CA . 27870 1 187 . 1 . 1 43 43 LEU N N 15 122.961 0.4 . 1 . . . . . 173 LEU N . 27870 1 188 . 1 . 1 44 44 MET H H 1 9.286 0.03 . 1 . . . . . 174 MET H . 27870 1 189 . 1 . 1 44 44 MET C C 13 173.460 0.4 . 1 . . . . . 174 MET C . 27870 1 190 . 1 . 1 44 44 MET CA C 13 53.100 0.4 . 1 . . . . . 174 MET CA . 27870 1 191 . 1 . 1 44 44 MET CB C 13 36.800 0.4 . 1 . . . . . 174 MET CB . 27870 1 192 . 1 . 1 44 44 MET N N 15 128.727 0.4 . 1 . . . . . 174 MET N . 27870 1 193 . 1 . 1 45 45 GLN H H 1 7.071 0.03 . 1 . . . . . 175 GLN H . 27870 1 194 . 1 . 1 45 45 GLN CA C 13 53.420 0.4 . 1 . . . . . 175 GLN CA . 27870 1 195 . 1 . 1 45 45 GLN CB C 13 32.500 0.4 . 1 . . . . . 175 GLN CB . 27870 1 196 . 1 . 1 45 45 GLN N N 15 120.185 0.4 . 1 . . . . . 175 GLN N . 27870 1 197 . 1 . 1 46 46 TYR C C 13 171.800 0.4 . 1 . . . . . 176 TYR C . 27870 1 198 . 1 . 1 46 46 TYR CA C 13 54.400 0.4 . 1 . . . . . 176 TYR CA . 27870 1 199 . 1 . 1 46 46 TYR CB C 13 43.500 0.4 . 1 . . . . . 176 TYR CB . 27870 1 200 . 1 . 1 47 47 SER H H 1 7.973 0.03 . 1 . . . . . 177 SER H . 27870 1 201 . 1 . 1 47 47 SER CA C 13 58.050 0.4 . 1 . . . . . 177 SER CA . 27870 1 202 . 1 . 1 47 47 SER CB C 13 62.100 0.4 . 1 . . . . . 177 SER CB . 27870 1 203 . 1 . 1 47 47 SER N N 15 116.103 0.4 . 1 . . . . . 177 SER N . 27870 1 204 . 1 . 1 49 49 GLU C C 13 178.010 0.4 . 1 . . . . . 179 GLU C . 27870 1 205 . 1 . 1 49 49 GLU CA C 13 55.520 0.4 . 1 . . . . . 179 GLU CA . 27870 1 206 . 1 . 1 49 49 GLU CB C 13 28.000 0.4 . 1 . . . . . 179 GLU CB . 27870 1 207 . 1 . 1 50 50 PHE H H 1 9.008 0.03 . 1 . . . . . 180 PHE H . 27870 1 208 . 1 . 1 50 50 PHE CA C 13 57.950 0.4 . 1 . . . . . 180 PHE CA . 27870 1 209 . 1 . 1 50 50 PHE CB C 13 43.200 0.4 . 1 . . . . . 180 PHE CB . 27870 1 210 . 1 . 1 50 50 PHE N N 15 129.431 0.4 . 1 . . . . . 180 PHE N . 27870 1 211 . 1 . 1 51 51 ARG C C 13 174.150 0.4 . 1 . . . . . 181 ARG C . 27870 1 212 . 1 . 1 51 51 ARG CA C 13 53.860 0.4 . 1 . . . . . 181 ARG CA . 27870 1 213 . 1 . 1 52 52 ILE H H 1 9.101 0.03 . 1 . . . . . 182 ILE H . 27870 1 214 . 1 . 1 52 52 ILE C C 13 175.750 0.4 . 1 . . . . . 182 ILE C . 27870 1 215 . 1 . 1 52 52 ILE CA C 13 61.960 0.4 . 1 . . . . . 182 ILE CA . 27870 1 216 . 1 . 1 52 52 ILE N N 15 127.814 0.4 . 1 . . . . . 182 ILE N . 27870 1 217 . 1 . 1 53 53 HIS H H 1 8.411 0.03 . 1 . . . . . 183 HIS H . 27870 1 218 . 1 . 1 53 53 HIS C C 13 176.410 0.4 . 1 . . . . . 183 HIS C . 27870 1 219 . 1 . 1 53 53 HIS CA C 13 58.810 0.4 . 1 . . . . . 183 HIS CA . 27870 1 220 . 1 . 1 53 53 HIS CB C 13 28.840 0.4 . 1 . . . . . 183 HIS CB . 27870 1 221 . 1 . 1 53 53 HIS N N 15 129.452 0.4 . 1 . . . . . 183 HIS N . 27870 1 222 . 1 . 1 54 54 PHE H H 1 7.021 0.03 . 1 . . . . . 184 PHE H . 27870 1 223 . 1 . 1 54 54 PHE C C 13 175.240 0.4 . 1 . . . . . 184 PHE C . 27870 1 224 . 1 . 1 54 54 PHE CA C 13 55.930 0.4 . 1 . . . . . 184 PHE CA . 27870 1 225 . 1 . 1 54 54 PHE CB C 13 38.940 0.4 . 1 . . . . . 184 PHE CB . 27870 1 226 . 1 . 1 54 54 PHE N N 15 109.533 0.4 . 1 . . . . . 184 PHE N . 27870 1 227 . 1 . 1 55 55 THR H H 1 9.097 0.03 . 1 . . . . . 185 THR H . 27870 1 228 . 1 . 1 55 55 THR CA C 13 59.470 0.4 . 1 . . . . . 185 THR CA . 27870 1 229 . 1 . 1 55 55 THR CB C 13 71.670 0.4 . 1 . . . . . 185 THR CB . 27870 1 230 . 1 . 1 55 55 THR N N 15 115.404 0.4 . 1 . . . . . 185 THR N . 27870 1 231 . 1 . 1 56 56 PHE C C 13 177.720 0.4 . 1 . . . . . 186 PHE C . 27870 1 232 . 1 . 1 56 56 PHE CA C 13 61.100 0.4 . 1 . . . . . 186 PHE CA . 27870 1 233 . 1 . 1 56 56 PHE CB C 13 37.800 0.4 . 1 . . . . . 186 PHE CB . 27870 1 234 . 1 . 1 57 57 LYS H H 1 7.967 0.03 . 1 . . . . . 187 LYS H . 27870 1 235 . 1 . 1 57 57 LYS C C 13 178.400 0.4 . 1 . . . . . 187 LYS C . 27870 1 236 . 1 . 1 57 57 LYS CA C 13 58.310 0.4 . 1 . . . . . 187 LYS CA . 27870 1 237 . 1 . 1 57 57 LYS N N 15 117.964 0.4 . 1 . . . . . 187 LYS N . 27870 1 238 . 1 . 1 58 58 GLU H H 1 8.002 0.03 . 1 . . . . . 188 GLU H . 27870 1 239 . 1 . 1 58 58 GLU C C 13 180.030 0.4 . 1 . . . . . 188 GLU C . 27870 1 240 . 1 . 1 58 58 GLU CA C 13 59.000 0.4 . 1 . . . . . 188 GLU CA . 27870 1 241 . 1 . 1 58 58 GLU CB C 13 29.700 0.4 . 1 . . . . . 188 GLU CB . 27870 1 242 . 1 . 1 58 58 GLU N N 15 120.396 0.4 . 1 . . . . . 188 GLU N . 27870 1 243 . 1 . 1 59 59 PHE H H 1 8.855 0.03 . 1 . . . . . 189 PHE H . 27870 1 244 . 1 . 1 59 59 PHE C C 13 176.240 0.4 . 1 . . . . . 189 PHE C . 27870 1 245 . 1 . 1 59 59 PHE CA C 13 61.470 0.4 . 1 . . . . . 189 PHE CA . 27870 1 246 . 1 . 1 59 59 PHE CB C 13 40.160 0.4 . 1 . . . . . 189 PHE CB . 27870 1 247 . 1 . 1 59 59 PHE N N 15 121.128 0.4 . 1 . . . . . 189 PHE N . 27870 1 248 . 1 . 1 60 60 GLN H H 1 8.525 0.03 . 1 . . . . . 190 GLN H . 27870 1 249 . 1 . 1 60 60 GLN C C 13 177.970 0.4 . 1 . . . . . 190 GLN C . 27870 1 250 . 1 . 1 60 60 GLN CA C 13 58.780 0.4 . 1 . . . . . 190 GLN CA . 27870 1 251 . 1 . 1 60 60 GLN CB C 13 28.360 0.4 . 1 . . . . . 190 GLN CB . 27870 1 252 . 1 . 1 60 60 GLN N N 15 117.339 0.4 . 1 . . . . . 190 GLN N . 27870 1 253 . 1 . 1 61 61 ASN H H 1 7.406 0.03 . 1 . . . . . 191 ASN H . 27870 1 254 . 1 . 1 61 61 ASN C C 13 174.890 0.4 . 1 . . . . . 191 ASN C . 27870 1 255 . 1 . 1 61 61 ASN CA C 13 54.030 0.4 . 1 . . . . . 191 ASN CA . 27870 1 256 . 1 . 1 61 61 ASN CB C 13 39.150 0.4 . 1 . . . . . 191 ASN CB . 27870 1 257 . 1 . 1 61 61 ASN N N 15 113.200 0.4 . 1 . . . . . 191 ASN N . 27870 1 258 . 1 . 1 62 62 ASN H H 1 7.441 0.03 . 1 . . . . . 192 ASN H . 27870 1 259 . 1 . 1 62 62 ASN C C 13 171.720 0.4 . 1 . . . . . 192 ASN C . 27870 1 260 . 1 . 1 62 62 ASN CA C 13 50.680 0.4 . 1 . . . . . 192 ASN CA . 27870 1 261 . 1 . 1 62 62 ASN CB C 13 37.850 0.4 . 1 . . . . . 192 ASN CB . 27870 1 262 . 1 . 1 62 62 ASN N N 15 116.656 0.4 . 1 . . . . . 192 ASN N . 27870 1 263 . 1 . 1 63 63 PRO C C 13 176.200 0.4 . 1 . . . . . 193 PRO C . 27870 1 264 . 1 . 1 63 63 PRO CA C 13 62.760 0.4 . 1 . . . . . 193 PRO CA . 27870 1 265 . 1 . 1 64 64 ASN H H 1 8.526 0.03 . 1 . . . . . 194 ASN H . 27870 1 266 . 1 . 1 64 64 ASN CA C 13 49.830 0.4 . 1 . . . . . 194 ASN CA . 27870 1 267 . 1 . 1 64 64 ASN N N 15 122.695 0.4 . 1 . . . . . 194 ASN N . 27870 1 268 . 1 . 1 65 65 PRO C C 13 176.870 0.4 . 1 . . . . . 195 PRO C . 27870 1 269 . 1 . 1 65 65 PRO CA C 13 65.600 0.4 . 1 . . . . . 195 PRO CA . 27870 1 270 . 1 . 1 65 65 PRO CB C 13 32.870 0.4 . 1 . . . . . 195 PRO CB . 27870 1 271 . 1 . 1 66 66 ARG H H 1 8.641 0.03 . 1 . . . . . 196 ARG H . 27870 1 272 . 1 . 1 66 66 ARG C C 13 179.040 0.4 . 1 . . . . . 196 ARG C . 27870 1 273 . 1 . 1 66 66 ARG CA C 13 59.780 0.4 . 1 . . . . . 196 ARG CA . 27870 1 274 . 1 . 1 66 66 ARG CB C 13 29.500 0.4 . 1 . . . . . 196 ARG CB . 27870 1 275 . 1 . 1 66 66 ARG N N 15 115.031 0.4 . 1 . . . . . 196 ARG N . 27870 1 276 . 1 . 1 67 67 SER H H 1 7.385 0.03 . 1 . . . . . 197 SER H . 27870 1 277 . 1 . 1 67 67 SER C C 13 176.390 0.4 . 1 . . . . . 197 SER C . 27870 1 278 . 1 . 1 67 67 SER CA C 13 60.480 0.4 . 1 . . . . . 197 SER CA . 27870 1 279 . 1 . 1 67 67 SER CB C 13 62.540 0.4 . 1 . . . . . 197 SER CB . 27870 1 280 . 1 . 1 67 67 SER N N 15 113.331 0.4 . 1 . . . . . 197 SER N . 27870 1 281 . 1 . 1 68 68 LEU H H 1 7.378 0.03 . 1 . . . . . 198 LEU H . 27870 1 282 . 1 . 1 68 68 LEU C C 13 178.210 0.4 . 1 . . . . . 198 LEU C . 27870 1 283 . 1 . 1 68 68 LEU CA C 13 56.090 0.4 . 1 . . . . . 198 LEU CA . 27870 1 284 . 1 . 1 68 68 LEU CB C 13 42.870 0.4 . 1 . . . . . 198 LEU CB . 27870 1 285 . 1 . 1 68 68 LEU N N 15 119.925 0.4 . 1 . . . . . 198 LEU N . 27870 1 286 . 1 . 1 69 69 VAL H H 1 7.757 0.03 . 1 . . . . . 199 VAL H . 27870 1 287 . 1 . 1 69 69 VAL CA C 13 63.200 0.4 . 1 . . . . . 199 VAL CA . 27870 1 288 . 1 . 1 69 69 VAL N N 15 115.545 0.4 . 1 . . . . . 199 VAL N . 27870 1 289 . 1 . 1 71 71 PRO C C 13 177.660 0.4 . 1 . . . . . 201 PRO C . 27870 1 290 . 1 . 1 71 71 PRO CA C 13 64.140 0.4 . 1 . . . . . 201 PRO CA . 27870 1 291 . 1 . 1 71 71 PRO CB C 13 31.350 0.4 . 1 . . . . . 201 PRO CB . 27870 1 292 . 1 . 1 72 72 ILE H H 1 7.365 0.03 . 1 . . . . . 202 ILE H . 27870 1 293 . 1 . 1 72 72 ILE CA C 13 63.900 0.4 . 1 . . . . . 202 ILE CA . 27870 1 294 . 1 . 1 72 72 ILE CB C 13 37.000 0.4 . 1 . . . . . 202 ILE CB . 27870 1 295 . 1 . 1 72 72 ILE N N 15 115.932 0.4 . 1 . . . . . 202 ILE N . 27870 1 296 . 1 . 1 73 73 THR H H 1 8.183 0.03 . 1 . . . . . 203 THR H . 27870 1 297 . 1 . 1 73 73 THR C C 13 173.880 0.4 . 1 . . . . . 203 THR C . 27870 1 298 . 1 . 1 73 73 THR CA C 13 59.400 0.4 . 1 . . . . . 203 THR CA . 27870 1 299 . 1 . 1 73 73 THR CB C 13 70.520 0.4 . 1 . . . . . 203 THR CB . 27870 1 300 . 1 . 1 73 73 THR N N 15 118.595 0.4 . 1 . . . . . 203 THR N . 27870 1 301 . 1 . 1 74 74 GLN H H 1 8.419 0.03 . 1 . . . . . 204 GLN H . 27870 1 302 . 1 . 1 74 74 GLN CA C 13 55.500 0.4 . 1 . . . . . 204 GLN CA . 27870 1 303 . 1 . 1 74 74 GLN CB C 13 28.000 0.4 . 1 . . . . . 204 GLN CB . 27870 1 304 . 1 . 1 74 74 GLN N N 15 125.890 0.4 . 1 . . . . . 204 GLN N . 27870 1 305 . 1 . 1 75 75 LEU C C 13 179.610 0.4 . 1 . . . . . 205 LEU C . 27870 1 306 . 1 . 1 75 75 LEU CA C 13 58.060 0.4 . 1 . . . . . 205 LEU CA . 27870 1 307 . 1 . 1 76 76 LEU H H 1 7.689 0.03 . 1 . . . . . 206 LEU H . 27870 1 308 . 1 . 1 76 76 LEU C C 13 175.080 0.4 . 1 . . . . . 206 LEU C . 27870 1 309 . 1 . 1 76 76 LEU CA C 13 57.040 0.4 . 1 . . . . . 206 LEU CA . 27870 1 310 . 1 . 1 76 76 LEU CB C 13 39.020 0.4 . 1 . . . . . 206 LEU CB . 27870 1 311 . 1 . 1 76 76 LEU N N 15 109.515 0.4 . 1 . . . . . 206 LEU N . 27870 1 312 . 1 . 1 77 77 GLY H H 1 7.979 0.03 . 1 . . . . . 207 GLY H . 27870 1 313 . 1 . 1 77 77 GLY C C 13 174.940 0.4 . 1 . . . . . 207 GLY C . 27870 1 314 . 1 . 1 77 77 GLY CA C 13 43.800 0.4 . 1 . . . . . 207 GLY CA . 27870 1 315 . 1 . 1 77 77 GLY N N 15 104.683 0.4 . 1 . . . . . 207 GLY N . 27870 1 316 . 1 . 1 78 78 ARG H H 1 8.800 0.03 . 1 . . . . . 208 ARG H . 27870 1 317 . 1 . 1 78 78 ARG CA C 13 55.550 0.4 . 1 . . . . . 208 ARG CA . 27870 1 318 . 1 . 1 78 78 ARG CB C 13 29.600 0.4 . 1 . . . . . 208 ARG CB . 27870 1 319 . 1 . 1 78 78 ARG N N 15 119.563 0.4 . 1 . . . . . 208 ARG N . 27870 1 320 . 1 . 1 79 79 THR C C 13 171.510 0.4 . 1 . . . . . 209 THR C . 27870 1 321 . 1 . 1 79 79 THR CA C 13 60.940 0.4 . 1 . . . . . 209 THR CA . 27870 1 322 . 1 . 1 80 80 HIS H H 1 8.231 0.03 . 1 . . . . . 210 HIS H . 27870 1 323 . 1 . 1 80 80 HIS CA C 13 53.970 0.4 . 1 . . . . . 210 HIS CA . 27870 1 324 . 1 . 1 80 80 HIS CB C 13 31.300 0.4 . 1 . . . . . 210 HIS CB . 27870 1 325 . 1 . 1 80 80 HIS N N 15 118.711 0.4 . 1 . . . . . 210 HIS N . 27870 1 326 . 1 . 1 82 82 ALA C C 13 179.390 0.4 . 1 . . . . . 212 ALA C . 27870 1 327 . 1 . 1 82 82 ALA CA C 13 55.970 0.4 . 1 . . . . . 212 ALA CA . 27870 1 328 . 1 . 1 82 82 ALA CB C 13 16.400 0.4 . 1 . . . . . 212 ALA CB . 27870 1 329 . 1 . 1 83 83 THR H H 1 10.492 0.03 . 1 . . . . . 213 THR H . 27870 1 330 . 1 . 1 83 83 THR C C 13 176.600 0.4 . 1 . . . . . 213 THR C . 27870 1 331 . 1 . 1 83 83 THR CA C 13 68.000 0.4 . 1 . . . . . 213 THR CA . 27870 1 332 . 1 . 1 83 83 THR N N 15 120.308 0.4 . 1 . . . . . 213 THR N . 27870 1 333 . 1 . 1 84 84 GLY H H 1 8.259 0.03 . 1 . . . . . 214 GLY H . 27870 1 334 . 1 . 1 84 84 GLY CA C 13 47.480 0.4 . 1 . . . . . 214 GLY CA . 27870 1 335 . 1 . 1 84 84 GLY N N 15 107.456 0.4 . 1 . . . . . 214 GLY N . 27870 1 336 . 1 . 1 85 85 ILE H H 1 7.991 0.03 . 1 . . . . . 215 ILE H . 27870 1 337 . 1 . 1 85 85 ILE C C 13 176.970 0.4 . 1 . . . . . 215 ILE C . 27870 1 338 . 1 . 1 85 85 ILE CA C 13 65.730 0.4 . 1 . . . . . 215 ILE CA . 27870 1 339 . 1 . 1 85 85 ILE N N 15 121.533 0.4 . 1 . . . . . 215 ILE N . 27870 1 340 . 1 . 1 86 86 ARG H H 1 7.863 0.03 . 1 . . . . . 216 ARG H . 27870 1 341 . 1 . 1 86 86 ARG CA C 13 59.480 0.4 . 1 . . . . . 216 ARG CA . 27870 1 342 . 1 . 1 86 86 ARG N N 15 120.173 0.4 . 1 . . . . . 216 ARG N . 27870 1 343 . 1 . 1 87 87 LYS C C 13 179.610 0.4 . 1 . . . . . 217 LYS C . 27870 1 344 . 1 . 1 87 87 LYS CA C 13 59.000 0.4 . 1 . . . . . 217 LYS CA . 27870 1 345 . 1 . 1 88 88 VAL H H 1 8.450 0.03 . 1 . . . . . 218 VAL H . 27870 1 346 . 1 . 1 88 88 VAL CA C 13 66.860 0.4 . 1 . . . . . 218 VAL CA . 27870 1 347 . 1 . 1 88 88 VAL CB C 13 30.480 0.4 . 1 . . . . . 218 VAL CB . 27870 1 348 . 1 . 1 88 88 VAL N N 15 121.191 0.4 . 1 . . . . . 218 VAL N . 27870 1 349 . 1 . 1 92 92 LEU C C 13 176.780 0.4 . 1 . . . . . 222 LEU C . 27870 1 350 . 1 . 1 92 92 LEU CA C 13 60.600 0.4 . 1 . . . . . 222 LEU CA . 27870 1 351 . 1 . 1 92 92 LEU CB C 13 39.300 0.4 . 1 . . . . . 222 LEU CB . 27870 1 352 . 1 . 1 93 93 PHE H H 1 8.604 0.03 . 1 . . . . . 223 PHE H . 27870 1 353 . 1 . 1 93 93 PHE C C 13 173.550 0.4 . 1 . . . . . 223 PHE C . 27870 1 354 . 1 . 1 93 93 PHE CA C 13 58.650 0.4 . 1 . . . . . 223 PHE CA . 27870 1 355 . 1 . 1 93 93 PHE CB C 13 36.530 0.4 . 1 . . . . . 223 PHE CB . 27870 1 356 . 1 . 1 93 93 PHE N N 15 113.195 0.4 . 1 . . . . . 223 PHE N . 27870 1 357 . 1 . 1 94 94 ASN H H 1 7.087 0.03 . 1 . . . . . 224 ASN H . 27870 1 358 . 1 . 1 94 94 ASN C C 13 177.540 0.4 . 1 . . . . . 224 ASN C . 27870 1 359 . 1 . 1 94 94 ASN CA C 13 52.350 0.4 . 1 . . . . . 224 ASN CA . 27870 1 360 . 1 . 1 94 94 ASN CB C 13 40.500 0.4 . 1 . . . . . 224 ASN CB . 27870 1 361 . 1 . 1 94 94 ASN N N 15 118.036 0.4 . 1 . . . . . 224 ASN N . 27870 1 362 . 1 . 1 95 95 ILE H H 1 8.974 0.03 . 1 . . . . . 225 ILE H . 27870 1 363 . 1 . 1 95 95 ILE C C 13 179.370 0.4 . 1 . . . . . 225 ILE C . 27870 1 364 . 1 . 1 95 95 ILE CA C 13 63.730 0.4 . 1 . . . . . 225 ILE CA . 27870 1 365 . 1 . 1 95 95 ILE CB C 13 39.160 0.4 . 1 . . . . . 225 ILE CB . 27870 1 366 . 1 . 1 95 95 ILE N N 15 128.318 0.4 . 1 . . . . . 225 ILE N . 27870 1 367 . 1 . 1 96 96 THR H H 1 8.700 0.03 . 1 . . . . . 226 THR H . 27870 1 368 . 1 . 1 96 96 THR C C 13 175.500 0.4 . 1 . . . . . 226 THR C . 27870 1 369 . 1 . 1 96 96 THR CA C 13 64.950 0.4 . 1 . . . . . 226 THR CA . 27870 1 370 . 1 . 1 96 96 THR CB C 13 68.000 0.4 . 1 . . . . . 226 THR CB . 27870 1 371 . 1 . 1 96 96 THR N N 15 117.497 0.4 . 1 . . . . . 226 THR N . 27870 1 372 . 1 . 1 97 97 ASN H H 1 7.915 0.03 . 1 . . . . . 227 ASN H . 27870 1 373 . 1 . 1 97 97 ASN C C 13 175.750 0.4 . 1 . . . . . 227 ASN C . 27870 1 374 . 1 . 1 97 97 ASN CA C 13 52.400 0.4 . 1 . . . . . 227 ASN CA . 27870 1 375 . 1 . 1 97 97 ASN N N 15 117.807 0.4 . 1 . . . . . 227 ASN N . 27870 1 376 . 1 . 1 98 98 GLY H H 1 8.073 0.03 . 1 . . . . . 228 GLY H . 27870 1 377 . 1 . 1 98 98 GLY C C 13 172.920 0.4 . 1 . . . . . 228 GLY C . 27870 1 378 . 1 . 1 98 98 GLY CA C 13 45.580 0.4 . 1 . . . . . 228 GLY CA . 27870 1 379 . 1 . 1 98 98 GLY N N 15 106.530 0.4 . 1 . . . . . 228 GLY N . 27870 1 380 . 1 . 1 99 99 ALA H H 1 7.065 0.03 . 1 . . . . . 229 ALA H . 27870 1 381 . 1 . 1 99 99 ALA C C 13 177.280 0.4 . 1 . . . . . 229 ALA C . 27870 1 382 . 1 . 1 99 99 ALA CA C 13 51.730 0.4 . 1 . . . . . 229 ALA CA . 27870 1 383 . 1 . 1 99 99 ALA CB C 13 18.570 0.4 . 1 . . . . . 229 ALA CB . 27870 1 384 . 1 . 1 99 99 ALA N N 15 121.743 0.4 . 1 . . . . . 229 ALA N . 27870 1 385 . 1 . 1 100 100 ARG H H 1 10.440 0.03 . 1 . . . . . 230 ARG H . 27870 1 386 . 1 . 1 100 100 ARG C C 13 178.140 0.4 . 1 . . . . . 230 ARG C . 27870 1 387 . 1 . 1 100 100 ARG CA C 13 55.800 0.4 . 1 . . . . . 230 ARG CA . 27870 1 388 . 1 . 1 100 100 ARG CB C 13 30.900 0.4 . 1 . . . . . 230 ARG CB . 27870 1 389 . 1 . 1 100 100 ARG N N 15 125.236 0.4 . 1 . . . . . 230 ARG N . 27870 1 390 . 1 . 1 101 101 LYS H H 1 8.696 0.03 . 1 . . . . . 231 LYS H . 27870 1 391 . 1 . 1 101 101 LYS C C 13 177.310 0.4 . 1 . . . . . 231 LYS C . 27870 1 392 . 1 . 1 101 101 LYS CA C 13 58.270 0.4 . 1 . . . . . 231 LYS CA . 27870 1 393 . 1 . 1 101 101 LYS CB C 13 32.150 0.4 . 1 . . . . . 231 LYS CB . 27870 1 394 . 1 . 1 101 101 LYS N N 15 124.468 0.4 . 1 . . . . . 231 LYS N . 27870 1 395 . 1 . 1 102 102 ASN H H 1 8.578 0.03 . 1 . . . . . 232 ASN H . 27870 1 396 . 1 . 1 102 102 ASN C C 13 173.630 0.4 . 1 . . . . . 232 ASN C . 27870 1 397 . 1 . 1 102 102 ASN CA C 13 52.620 0.4 . 1 . . . . . 232 ASN CA . 27870 1 398 . 1 . 1 102 102 ASN CB C 13 37.900 0.4 . 1 . . . . . 232 ASN CB . 27870 1 399 . 1 . 1 102 102 ASN N N 15 115.017 0.4 . 1 . . . . . 232 ASN N . 27870 1 400 . 1 . 1 103 103 ALA H H 1 7.036 0.03 . 1 . . . . . 233 ALA H . 27870 1 401 . 1 . 1 103 103 ALA C C 13 178.970 0.4 . 1 . . . . . 233 ALA C . 27870 1 402 . 1 . 1 103 103 ALA CA C 13 51.100 0.4 . 1 . . . . . 233 ALA CA . 27870 1 403 . 1 . 1 103 103 ALA CB C 13 20.530 0.4 . 1 . . . . . 233 ALA CB . 27870 1 404 . 1 . 1 103 103 ALA N N 15 121.675 0.4 . 1 . . . . . 233 ALA N . 27870 1 405 . 1 . 1 104 104 PHE H H 1 8.762 0.03 . 1 . . . . . 234 PHE H . 27870 1 406 . 1 . 1 104 104 PHE CA C 13 59.450 0.4 . 1 . . . . . 234 PHE CA . 27870 1 407 . 1 . 1 104 104 PHE CB C 13 39.000 0.4 . 1 . . . . . 234 PHE CB . 27870 1 408 . 1 . 1 104 104 PHE N N 15 119.503 0.4 . 1 . . . . . 234 PHE N . 27870 1 409 . 1 . 1 105 105 LYS H H 1 8.739 0.03 . 1 . . . . . 235 LYS H . 27870 1 410 . 1 . 1 105 105 LYS C C 13 174.350 0.4 . 1 . . . . . 235 LYS C . 27870 1 411 . 1 . 1 105 105 LYS CA C 13 55.160 0.4 . 1 . . . . . 235 LYS CA . 27870 1 412 . 1 . 1 105 105 LYS N N 15 123.713 0.4 . 1 . . . . . 235 LYS N . 27870 1 413 . 1 . 1 106 106 ILE H H 1 8.754 0.03 . 1 . . . . . 236 ILE H . 27870 1 414 . 1 . 1 106 106 ILE C C 13 172.660 0.4 . 1 . . . . . 236 ILE C . 27870 1 415 . 1 . 1 106 106 ILE CA C 13 59.200 0.4 . 1 . . . . . 236 ILE CA . 27870 1 416 . 1 . 1 106 106 ILE N N 15 124.156 0.4 . 1 . . . . . 236 ILE N . 27870 1 417 . 1 . 1 107 107 LEU H H 1 9.680 0.03 . 1 . . . . . 237 LEU H . 27870 1 418 . 1 . 1 107 107 LEU C C 13 173.860 0.4 . 1 . . . . . 237 LEU C . 27870 1 419 . 1 . 1 107 107 LEU CA C 13 52.000 0.4 . 1 . . . . . 237 LEU CA . 27870 1 420 . 1 . 1 107 107 LEU N N 15 129.077 0.4 . 1 . . . . . 237 LEU N . 27870 1 421 . 1 . 1 108 108 VAL H H 1 9.079 0.03 . 1 . . . . . 238 VAL H . 27870 1 422 . 1 . 1 108 108 VAL C C 13 174.190 0.4 . 1 . . . . . 238 VAL C . 27870 1 423 . 1 . 1 108 108 VAL CA C 13 60.600 0.4 . 1 . . . . . 238 VAL CA . 27870 1 424 . 1 . 1 108 108 VAL N N 15 126.837 0.4 . 1 . . . . . 238 VAL N . 27870 1 425 . 1 . 1 109 109 VAL H H 1 9.032 0.03 . 1 . . . . . 239 VAL H . 27870 1 426 . 1 . 1 109 109 VAL C C 13 175.220 0.4 . 1 . . . . . 239 VAL C . 27870 1 427 . 1 . 1 109 109 VAL CA C 13 60.310 0.4 . 1 . . . . . 239 VAL CA . 27870 1 428 . 1 . 1 109 109 VAL N N 15 128.041 0.4 . 1 . . . . . 239 VAL N . 27870 1 429 . 1 . 1 110 110 ILE H H 1 8.806 0.03 . 1 . . . . . 240 ILE H . 27870 1 430 . 1 . 1 110 110 ILE C C 13 174.290 0.4 . 1 . . . . . 240 ILE C . 27870 1 431 . 1 . 1 110 110 ILE CA C 13 60.700 0.4 . 1 . . . . . 240 ILE CA . 27870 1 432 . 1 . 1 110 110 ILE CB C 13 39.300 0.4 . 1 . . . . . 240 ILE CB . 27870 1 433 . 1 . 1 110 110 ILE N N 15 126.029 0.4 . 1 . . . . . 240 ILE N . 27870 1 434 . 1 . 1 111 111 THR H H 1 8.630 0.03 . 1 . . . . . 241 THR H . 27870 1 435 . 1 . 1 111 111 THR C C 13 171.150 0.4 . 1 . . . . . 241 THR C . 27870 1 436 . 1 . 1 111 111 THR CA C 13 59.080 0.4 . 1 . . . . . 241 THR CA . 27870 1 437 . 1 . 1 111 111 THR N N 15 118.565 0.4 . 1 . . . . . 241 THR N . 27870 1 438 . 1 . 1 112 112 ASP H H 1 9.179 0.03 . 1 . . . . . 242 ASP H . 27870 1 439 . 1 . 1 112 112 ASP C C 13 176.020 0.4 . 1 . . . . . 242 ASP C . 27870 1 440 . 1 . 1 112 112 ASP CA C 13 52.020 0.4 . 1 . . . . . 242 ASP CA . 27870 1 441 . 1 . 1 112 112 ASP N N 15 126.657 0.4 . 1 . . . . . 242 ASP N . 27870 1 442 . 1 . 1 113 113 GLY H H 1 8.473 0.03 . 1 . . . . . 243 GLY H . 27870 1 443 . 1 . 1 113 113 GLY C C 13 171.100 0.4 . 1 . . . . . 243 GLY C . 27870 1 444 . 1 . 1 113 113 GLY CA C 13 45.690 0.4 . 1 . . . . . 243 GLY CA . 27870 1 445 . 1 . 1 113 113 GLY N N 15 109.015 0.4 . 1 . . . . . 243 GLY N . 27870 1 446 . 1 . 1 114 114 GLU H H 1 8.273 0.03 . 1 . . . . . 244 GLU H . 27870 1 447 . 1 . 1 114 114 GLU C C 13 176.760 0.4 . 1 . . . . . 244 GLU C . 27870 1 448 . 1 . 1 114 114 GLU CA C 13 55.270 0.4 . 1 . . . . . 244 GLU CA . 27870 1 449 . 1 . 1 114 114 GLU N N 15 117.880 0.4 . 1 . . . . . 244 GLU N . 27870 1 450 . 1 . 1 115 115 LYS H H 1 10.025 0.03 . 1 . . . . . 245 LYS H . 27870 1 451 . 1 . 1 115 115 LYS CA C 13 57.240 0.4 . 1 . . . . . 245 LYS CA . 27870 1 452 . 1 . 1 115 115 LYS N N 15 124.931 0.4 . 1 . . . . . 245 LYS N . 27870 1 453 . 1 . 1 116 116 PHE C C 13 173.960 0.4 . 1 . . . . . 246 PHE C . 27870 1 454 . 1 . 1 116 116 PHE CA C 13 57.650 0.4 . 1 . . . . . 246 PHE CA . 27870 1 455 . 1 . 1 116 116 PHE CB C 13 41.300 0.4 . 1 . . . . . 246 PHE CB . 27870 1 456 . 1 . 1 117 117 GLY H H 1 8.272 0.03 . 1 . . . . . 247 GLY H . 27870 1 457 . 1 . 1 117 117 GLY C C 13 172.680 0.4 . 1 . . . . . 247 GLY C . 27870 1 458 . 1 . 1 117 117 GLY CA C 13 44.410 0.4 . 1 . . . . . 247 GLY CA . 27870 1 459 . 1 . 1 117 117 GLY N N 15 113.571 0.4 . 1 . . . . . 247 GLY N . 27870 1 460 . 1 . 1 118 118 ASP H H 1 6.708 0.03 . 1 . . . . . 248 ASP H . 27870 1 461 . 1 . 1 118 118 ASP CA C 13 50.400 0.4 . 1 . . . . . 248 ASP CA . 27870 1 462 . 1 . 1 118 118 ASP N N 15 122.610 0.4 . 1 . . . . . 248 ASP N . 27870 1 463 . 1 . 1 119 119 PRO C C 13 176.950 0.4 . 1 . . . . . 249 PRO C . 27870 1 464 . 1 . 1 119 119 PRO CA C 13 63.440 0.4 . 1 . . . . . 249 PRO CA . 27870 1 465 . 1 . 1 119 119 PRO CB C 13 32.250 0.4 . 1 . . . . . 249 PRO CB . 27870 1 466 . 1 . 1 120 120 LEU H H 1 8.472 0.03 . 1 . . . . . 250 LEU H . 27870 1 467 . 1 . 1 120 120 LEU C C 13 176.430 0.4 . 1 . . . . . 250 LEU C . 27870 1 468 . 1 . 1 120 120 LEU CA C 13 52.850 0.4 . 1 . . . . . 250 LEU CA . 27870 1 469 . 1 . 1 120 120 LEU CB C 13 42.910 0.4 . 1 . . . . . 250 LEU CB . 27870 1 470 . 1 . 1 120 120 LEU N N 15 118.534 0.4 . 1 . . . . . 250 LEU N . 27870 1 471 . 1 . 1 121 121 GLY H H 1 8.939 0.03 . 1 . . . . . 251 GLY H . 27870 1 472 . 1 . 1 121 121 GLY C C 13 175.990 0.4 . 1 . . . . . 251 GLY C . 27870 1 473 . 1 . 1 121 121 GLY CA C 13 42.730 0.4 . 1 . . . . . 251 GLY CA . 27870 1 474 . 1 . 1 121 121 GLY N N 15 107.899 0.4 . 1 . . . . . 251 GLY N . 27870 1 475 . 1 . 1 122 122 TYR H H 1 8.863 0.03 . 1 . . . . . 252 TYR H . 27870 1 476 . 1 . 1 122 122 TYR C C 13 178.600 0.4 . 1 . . . . . 252 TYR C . 27870 1 477 . 1 . 1 122 122 TYR CA C 13 62.490 0.4 . 1 . . . . . 252 TYR CA . 27870 1 478 . 1 . 1 122 122 TYR CB C 13 36.900 0.4 . 1 . . . . . 252 TYR CB . 27870 1 479 . 1 . 1 122 122 TYR N N 15 121.153 0.4 . 1 . . . . . 252 TYR N . 27870 1 480 . 1 . 1 123 123 GLU H H 1 10.246 0.03 . 1 . . . . . 253 GLU H . 27870 1 481 . 1 . 1 123 123 GLU C C 13 176.460 0.4 . 1 . . . . . 253 GLU C . 27870 1 482 . 1 . 1 123 123 GLU CA C 13 58.470 0.4 . 1 . . . . . 253 GLU CA . 27870 1 483 . 1 . 1 123 123 GLU CB C 13 27.800 0.4 . 1 . . . . . 253 GLU CB . 27870 1 484 . 1 . 1 123 123 GLU N N 15 120.123 0.4 . 1 . . . . . 253 GLU N . 27870 1 485 . 1 . 1 124 124 ASP H H 1 7.276 0.03 . 1 . . . . . 254 ASP H . 27870 1 486 . 1 . 1 124 124 ASP C C 13 177.280 0.4 . 1 . . . . . 254 ASP C . 27870 1 487 . 1 . 1 124 124 ASP CA C 13 55.500 0.4 . 1 . . . . . 254 ASP CA . 27870 1 488 . 1 . 1 124 124 ASP CB C 13 42.600 0.4 . 1 . . . . . 254 ASP CB . 27870 1 489 . 1 . 1 124 124 ASP N N 15 115.338 0.4 . 1 . . . . . 254 ASP N . 27870 1 490 . 1 . 1 125 125 VAL H H 1 7.444 0.03 . 1 . . . . . 255 VAL H . 27870 1 491 . 1 . 1 125 125 VAL C C 13 175.880 0.4 . 1 . . . . . 255 VAL C . 27870 1 492 . 1 . 1 125 125 VAL CA C 13 61.900 0.4 . 1 . . . . . 255 VAL CA . 27870 1 493 . 1 . 1 125 125 VAL N N 15 112.198 0.4 . 1 . . . . . 255 VAL N . 27870 1 494 . 1 . 1 127 127 PRO C C 13 179.740 0.4 . 1 . . . . . 257 PRO C . 27870 1 495 . 1 . 1 127 127 PRO CA C 13 66.100 0.4 . 1 . . . . . 257 PRO CA . 27870 1 496 . 1 . 1 127 127 PRO CB C 13 30.120 0.4 . 1 . . . . . 257 PRO CB . 27870 1 497 . 1 . 1 128 128 GLU H H 1 7.323 0.03 . 1 . . . . . 258 GLU H . 27870 1 498 . 1 . 1 128 128 GLU C C 13 177.270 0.4 . 1 . . . . . 258 GLU C . 27870 1 499 . 1 . 1 128 128 GLU CA C 13 58.930 0.4 . 1 . . . . . 258 GLU CA . 27870 1 500 . 1 . 1 128 128 GLU CB C 13 29.680 0.4 . 1 . . . . . 258 GLU CB . 27870 1 501 . 1 . 1 128 128 GLU N N 15 117.583 0.4 . 1 . . . . . 258 GLU N . 27870 1 502 . 1 . 1 129 129 ALA H H 1 7.650 0.03 . 1 . . . . . 259 ALA H . 27870 1 503 . 1 . 1 129 129 ALA C C 13 178.980 0.4 . 1 . . . . . 259 ALA C . 27870 1 504 . 1 . 1 129 129 ALA CA C 13 54.990 0.4 . 1 . . . . . 259 ALA CA . 27870 1 505 . 1 . 1 129 129 ALA CB C 13 17.540 0.4 . 1 . . . . . 259 ALA CB . 27870 1 506 . 1 . 1 129 129 ALA N N 15 121.402 0.4 . 1 . . . . . 259 ALA N . 27870 1 507 . 1 . 1 130 130 ASP H H 1 8.603 0.03 . 1 . . . . . 260 ASP H . 27870 1 508 . 1 . 1 130 130 ASP C C 13 180.380 0.4 . 1 . . . . . 260 ASP C . 27870 1 509 . 1 . 1 130 130 ASP CA C 13 56.920 0.4 . 1 . . . . . 260 ASP CA . 27870 1 510 . 1 . 1 130 130 ASP CB C 13 39.500 0.4 . 1 . . . . . 260 ASP CB . 27870 1 511 . 1 . 1 130 130 ASP N N 15 117.196 0.4 . 1 . . . . . 260 ASP N . 27870 1 512 . 1 . 1 131 131 ARG H H 1 8.375 0.03 . 1 . . . . . 261 ARG H . 27870 1 513 . 1 . 1 131 131 ARG C C 13 174.820 0.4 . 1 . . . . . 261 ARG C . 27870 1 514 . 1 . 1 131 131 ARG CA C 13 59.120 0.4 . 1 . . . . . 261 ARG CA . 27870 1 515 . 1 . 1 131 131 ARG N N 15 123.475 0.4 . 1 . . . . . 261 ARG N . 27870 1 516 . 1 . 1 132 132 GLU H H 1 7.676 0.03 . 1 . . . . . 262 GLU H . 27870 1 517 . 1 . 1 132 132 GLU C C 13 176.110 0.4 . 1 . . . . . 262 GLU C . 27870 1 518 . 1 . 1 132 132 GLU CA C 13 55.320 0.4 . 1 . . . . . 262 GLU CA . 27870 1 519 . 1 . 1 132 132 GLU CB C 13 29.320 0.4 . 1 . . . . . 262 GLU CB . 27870 1 520 . 1 . 1 132 132 GLU N N 15 115.609 0.4 . 1 . . . . . 262 GLU N . 27870 1 521 . 1 . 1 133 133 GLY H H 1 7.706 0.03 . 1 . . . . . 263 GLY H . 27870 1 522 . 1 . 1 133 133 GLY C C 13 174.010 0.4 . 1 . . . . . 263 GLY C . 27870 1 523 . 1 . 1 133 133 GLY CA C 13 45.770 0.4 . 1 . . . . . 263 GLY CA . 27870 1 524 . 1 . 1 133 133 GLY N N 15 107.458 0.4 . 1 . . . . . 263 GLY N . 27870 1 525 . 1 . 1 134 134 VAL H H 1 7.706 0.03 . 1 . . . . . 264 VAL H . 27870 1 526 . 1 . 1 134 134 VAL C C 13 175.490 0.4 . 1 . . . . . 264 VAL C . 27870 1 527 . 1 . 1 134 134 VAL CA C 13 62.120 0.4 . 1 . . . . . 264 VAL CA . 27870 1 528 . 1 . 1 134 134 VAL N N 15 119.300 0.4 . 1 . . . . . 264 VAL N . 27870 1 529 . 1 . 1 135 135 ILE H H 1 9.115 0.03 . 1 . . . . . 265 ILE H . 27870 1 530 . 1 . 1 135 135 ILE C C 13 175.400 0.4 . 1 . . . . . 265 ILE C . 27870 1 531 . 1 . 1 135 135 ILE CA C 13 61.000 0.4 . 1 . . . . . 265 ILE CA . 27870 1 532 . 1 . 1 135 135 ILE CB C 13 38.000 0.4 . 1 . . . . . 265 ILE CB . 27870 1 533 . 1 . 1 135 135 ILE N N 15 135.311 0.4 . 1 . . . . . 265 ILE N . 27870 1 534 . 1 . 1 136 136 ARG H H 1 8.893 0.03 . 1 . . . . . 266 ARG H . 27870 1 535 . 1 . 1 136 136 ARG C C 13 175.500 0.4 . 1 . . . . . 266 ARG C . 27870 1 536 . 1 . 1 136 136 ARG CA C 13 54.900 0.4 . 1 . . . . . 266 ARG CA . 27870 1 537 . 1 . 1 136 136 ARG N N 15 125.107 0.4 . 1 . . . . . 266 ARG N . 27870 1 538 . 1 . 1 137 137 TYR H H 1 9.499 0.03 . 1 . . . . . 267 TYR H . 27870 1 539 . 1 . 1 137 137 TYR C C 13 175.040 0.4 . 1 . . . . . 267 TYR C . 27870 1 540 . 1 . 1 137 137 TYR CA C 13 57.000 0.4 . 1 . . . . . 267 TYR CA . 27870 1 541 . 1 . 1 137 137 TYR CB C 13 41.460 0.4 . 1 . . . . . 267 TYR CB . 27870 1 542 . 1 . 1 137 137 TYR N N 15 122.744 0.4 . 1 . . . . . 267 TYR N . 27870 1 543 . 1 . 1 138 138 VAL H H 1 8.991 0.03 . 1 . . . . . 268 VAL H . 27870 1 544 . 1 . 1 138 138 VAL C C 13 172.040 0.4 . 1 . . . . . 268 VAL C . 27870 1 545 . 1 . 1 138 138 VAL CA C 13 58.970 0.4 . 1 . . . . . 268 VAL CA . 27870 1 546 . 1 . 1 138 138 VAL CB C 13 35.360 0.4 . 1 . . . . . 268 VAL CB . 27870 1 547 . 1 . 1 138 138 VAL N N 15 119.953 0.4 . 1 . . . . . 268 VAL N . 27870 1 548 . 1 . 1 139 139 ILE H H 1 9.349 0.03 . 1 . . . . . 269 ILE H . 27870 1 549 . 1 . 1 139 139 ILE C C 13 174.630 0.4 . 1 . . . . . 269 ILE C . 27870 1 550 . 1 . 1 139 139 ILE CA C 13 59.170 0.4 . 1 . . . . . 269 ILE CA . 27870 1 551 . 1 . 1 139 139 ILE CB C 13 38.550 0.4 . 1 . . . . . 269 ILE CB . 27870 1 552 . 1 . 1 139 139 ILE N N 15 128.067 0.4 . 1 . . . . . 269 ILE N . 27870 1 553 . 1 . 1 140 140 GLY H H 1 8.740 0.03 . 1 . . . . . 270 GLY H . 27870 1 554 . 1 . 1 140 140 GLY C C 13 172.760 0.4 . 1 . . . . . 270 GLY C . 27870 1 555 . 1 . 1 140 140 GLY CA C 13 44.940 0.4 . 1 . . . . . 270 GLY CA . 27870 1 556 . 1 . 1 140 140 GLY N N 15 112.498 0.4 . 1 . . . . . 270 GLY N . 27870 1 557 . 1 . 1 141 141 VAL H H 1 8.879 0.03 . 1 . . . . . 271 VAL H . 27870 1 558 . 1 . 1 141 141 VAL C C 13 176.540 0.4 . 1 . . . . . 271 VAL C . 27870 1 559 . 1 . 1 141 141 VAL CA C 13 60.800 0.4 . 1 . . . . . 271 VAL CA . 27870 1 560 . 1 . 1 141 141 VAL CB C 13 32.400 0.4 . 1 . . . . . 271 VAL CB . 27870 1 561 . 1 . 1 141 141 VAL N N 15 127.455 0.4 . 1 . . . . . 271 VAL N . 27870 1 562 . 1 . 1 142 142 GLY H H 1 8.208 0.03 . 1 . . . . . 272 GLY H . 27870 1 563 . 1 . 1 142 142 GLY C C 13 176.020 0.4 . 1 . . . . . 272 GLY C . 27870 1 564 . 1 . 1 142 142 GLY CA C 13 44.640 0.4 . 1 . . . . . 272 GLY CA . 27870 1 565 . 1 . 1 142 142 GLY N N 15 109.718 0.4 . 1 . . . . . 272 GLY N . 27870 1 566 . 1 . 1 143 143 ASP H H 1 8.609 0.03 . 1 . . . . . 273 ASP H . 27870 1 567 . 1 . 1 143 143 ASP C C 13 177.970 0.4 . 1 . . . . . 273 ASP C . 27870 1 568 . 1 . 1 143 143 ASP CA C 13 56.180 0.4 . 1 . . . . . 273 ASP CA . 27870 1 569 . 1 . 1 143 143 ASP CB C 13 40.700 0.4 . 1 . . . . . 273 ASP CB . 27870 1 570 . 1 . 1 143 143 ASP N N 15 118.188 0.4 . 1 . . . . . 273 ASP N . 27870 1 571 . 1 . 1 144 144 ALA H H 1 9.046 0.03 . 1 . . . . . 274 ALA H . 27870 1 572 . 1 . 1 144 144 ALA C C 13 178.760 0.4 . 1 . . . . . 274 ALA C . 27870 1 573 . 1 . 1 144 144 ALA CA C 13 54.090 0.4 . 1 . . . . . 274 ALA CA . 27870 1 574 . 1 . 1 144 144 ALA CB C 13 18.240 0.4 . 1 . . . . . 274 ALA CB . 27870 1 575 . 1 . 1 144 144 ALA N N 15 122.708 0.4 . 1 . . . . . 274 ALA N . 27870 1 576 . 1 . 1 145 145 PHE H H 1 6.803 0.03 . 1 . . . . . 275 PHE H . 27870 1 577 . 1 . 1 145 145 PHE C C 13 174.620 0.4 . 1 . . . . . 275 PHE C . 27870 1 578 . 1 . 1 145 145 PHE CA C 13 57.290 0.4 . 1 . . . . . 275 PHE CA . 27870 1 579 . 1 . 1 145 145 PHE CB C 13 38.150 0.4 . 1 . . . . . 275 PHE CB . 27870 1 580 . 1 . 1 145 145 PHE N N 15 110.995 0.4 . 1 . . . . . 275 PHE N . 27870 1 581 . 1 . 1 146 146 ARG H H 1 7.213 0.03 . 1 . . . . . 276 ARG H . 27870 1 582 . 1 . 1 146 146 ARG C C 13 177.300 0.4 . 1 . . . . . 276 ARG C . 27870 1 583 . 1 . 1 146 146 ARG CA C 13 57.260 0.4 . 1 . . . . . 276 ARG CA . 27870 1 584 . 1 . 1 146 146 ARG CB C 13 30.290 0.4 . 1 . . . . . 276 ARG CB . 27870 1 585 . 1 . 1 146 146 ARG N N 15 117.412 0.4 . 1 . . . . . 276 ARG N . 27870 1 586 . 1 . 1 147 147 SER H H 1 8.016 0.03 . 1 . . . . . 277 SER H . 27870 1 587 . 1 . 1 147 147 SER C C 13 174.860 0.4 . 1 . . . . . 277 SER C . 27870 1 588 . 1 . 1 147 147 SER CA C 13 56.800 0.4 . 1 . . . . . 277 SER CA . 27870 1 589 . 1 . 1 147 147 SER CB C 13 64.590 0.4 . 1 . . . . . 277 SER CB . 27870 1 590 . 1 . 1 147 147 SER N N 15 114.485 0.4 . 1 . . . . . 277 SER N . 27870 1 591 . 1 . 1 148 148 GLU H H 1 9.009 0.03 . 1 . . . . . 278 GLU H . 27870 1 592 . 1 . 1 148 148 GLU C C 13 178.970 0.4 . 1 . . . . . 278 GLU C . 27870 1 593 . 1 . 1 148 148 GLU CA C 13 59.560 0.4 . 1 . . . . . 278 GLU CA . 27870 1 594 . 1 . 1 148 148 GLU CB C 13 28.300 0.4 . 1 . . . . . 278 GLU CB . 27870 1 595 . 1 . 1 148 148 GLU N N 15 124.522 0.4 . 1 . . . . . 278 GLU N . 27870 1 596 . 1 . 1 149 149 LYS H H 1 8.462 0.03 . 1 . . . . . 279 LYS H . 27870 1 597 . 1 . 1 149 149 LYS C C 13 179.370 0.4 . 1 . . . . . 279 LYS C . 27870 1 598 . 1 . 1 149 149 LYS CA C 13 58.900 0.4 . 1 . . . . . 279 LYS CA . 27870 1 599 . 1 . 1 149 149 LYS CB C 13 31.980 0.4 . 1 . . . . . 279 LYS CB . 27870 1 600 . 1 . 1 149 149 LYS N N 15 118.885 0.4 . 1 . . . . . 279 LYS N . 27870 1 601 . 1 . 1 150 150 SER H H 1 7.815 0.03 . 1 . . . . . 280 SER H . 27870 1 602 . 1 . 1 150 150 SER C C 13 176.870 0.4 . 1 . . . . . 280 SER C . 27870 1 603 . 1 . 1 150 150 SER CA C 13 61.140 0.4 . 1 . . . . . 280 SER CA . 27870 1 604 . 1 . 1 150 150 SER CB C 13 62.520 0.4 . 1 . . . . . 280 SER CB . 27870 1 605 . 1 . 1 150 150 SER N N 15 116.849 0.4 . 1 . . . . . 280 SER N . 27870 1 606 . 1 . 1 151 151 ARG H H 1 8.161 0.03 . 1 . . . . . 281 ARG H . 27870 1 607 . 1 . 1 151 151 ARG C C 13 178.290 0.4 . 1 . . . . . 281 ARG C . 27870 1 608 . 1 . 1 151 151 ARG CA C 13 59.140 0.4 . 1 . . . . . 281 ARG CA . 27870 1 609 . 1 . 1 151 151 ARG CB C 13 29.480 0.4 . 1 . . . . . 281 ARG CB . 27870 1 610 . 1 . 1 151 151 ARG N N 15 122.409 0.4 . 1 . . . . . 281 ARG N . 27870 1 611 . 1 . 1 152 152 GLN H H 1 7.933 0.03 . 1 . . . . . 282 GLN H . 27870 1 612 . 1 . 1 152 152 GLN C C 13 178.500 0.4 . 1 . . . . . 282 GLN C . 27870 1 613 . 1 . 1 152 152 GLN CA C 13 58.150 0.4 . 1 . . . . . 282 GLN CA . 27870 1 614 . 1 . 1 152 152 GLN CB C 13 27.200 0.4 . 1 . . . . . 282 GLN CB . 27870 1 615 . 1 . 1 152 152 GLN N N 15 117.611 0.4 . 1 . . . . . 282 GLN N . 27870 1 616 . 1 . 1 153 153 GLU H H 1 7.835 0.03 . 1 . . . . . 283 GLU H . 27870 1 617 . 1 . 1 153 153 GLU C C 13 178.120 0.4 . 1 . . . . . 283 GLU C . 27870 1 618 . 1 . 1 153 153 GLU CA C 13 60.030 0.4 . 1 . . . . . 283 GLU CA . 27870 1 619 . 1 . 1 153 153 GLU CB C 13 28.750 0.4 . 1 . . . . . 283 GLU CB . 27870 1 620 . 1 . 1 153 153 GLU N N 15 122.040 0.4 . 1 . . . . . 283 GLU N . 27870 1 621 . 1 . 1 154 154 LEU H H 1 7.018 0.03 . 1 . . . . . 284 LEU H . 27870 1 622 . 1 . 1 154 154 LEU C C 13 178.290 0.4 . 1 . . . . . 284 LEU C . 27870 1 623 . 1 . 1 154 154 LEU CA C 13 57.250 0.4 . 1 . . . . . 284 LEU CA . 27870 1 624 . 1 . 1 154 154 LEU CB C 13 39.170 0.4 . 1 . . . . . 284 LEU CB . 27870 1 625 . 1 . 1 154 154 LEU N N 15 114.695 0.4 . 1 . . . . . 284 LEU N . 27870 1 626 . 1 . 1 155 155 ASN H H 1 7.493 0.03 . 1 . . . . . 285 ASN H . 27870 1 627 . 1 . 1 155 155 ASN C C 13 176.330 0.4 . 1 . . . . . 285 ASN C . 27870 1 628 . 1 . 1 155 155 ASN CA C 13 54.720 0.4 . 1 . . . . . 285 ASN CA . 27870 1 629 . 1 . 1 155 155 ASN CB C 13 37.040 0.4 . 1 . . . . . 285 ASN CB . 27870 1 630 . 1 . 1 155 155 ASN N N 15 115.746 0.4 . 1 . . . . . 285 ASN N . 27870 1 631 . 1 . 1 156 156 THR H H 1 7.814 0.03 . 1 . . . . . 286 THR H . 27870 1 632 . 1 . 1 156 156 THR C C 13 175.220 0.4 . 1 . . . . . 286 THR C . 27870 1 633 . 1 . 1 156 156 THR CA C 13 65.290 0.4 . 1 . . . . . 286 THR CA . 27870 1 634 . 1 . 1 156 156 THR CB C 13 68.540 0.4 . 1 . . . . . 286 THR CB . 27870 1 635 . 1 . 1 156 156 THR N N 15 116.172 0.4 . 1 . . . . . 286 THR N . 27870 1 636 . 1 . 1 157 157 ILE H H 1 7.131 0.03 . 1 . . . . . 287 ILE H . 27870 1 637 . 1 . 1 157 157 ILE C C 13 175.500 0.4 . 1 . . . . . 287 ILE C . 27870 1 638 . 1 . 1 157 157 ILE CA C 13 63.850 0.4 . 1 . . . . . 287 ILE CA . 27870 1 639 . 1 . 1 157 157 ILE CB C 13 39.300 0.4 . 1 . . . . . 287 ILE CB . 27870 1 640 . 1 . 1 157 157 ILE N N 15 120.644 0.4 . 1 . . . . . 287 ILE N . 27870 1 641 . 1 . 1 158 158 ALA H H 1 7.254 0.03 . 1 . . . . . 288 ALA H . 27870 1 642 . 1 . 1 158 158 ALA C C 13 177.680 0.4 . 1 . . . . . 288 ALA C . 27870 1 643 . 1 . 1 158 158 ALA CA C 13 51.800 0.4 . 1 . . . . . 288 ALA CA . 27870 1 644 . 1 . 1 158 158 ALA CB C 13 21.200 0.4 . 1 . . . . . 288 ALA CB . 27870 1 645 . 1 . 1 158 158 ALA N N 15 120.001 0.4 . 1 . . . . . 288 ALA N . 27870 1 646 . 1 . 1 159 159 SER H H 1 7.969 0.03 . 1 . . . . . 289 SER H . 27870 1 647 . 1 . 1 159 159 SER CA C 13 62.000 0.4 . 1 . . . . . 289 SER CA . 27870 1 648 . 1 . 1 159 159 SER N N 15 118.177 0.4 . 1 . . . . . 289 SER N . 27870 1 649 . 1 . 1 162 162 PRO C C 13 178.250 0.4 . 1 . . . . . 292 PRO C . 27870 1 650 . 1 . 1 162 162 PRO CA C 13 65.750 0.4 . 1 . . . . . 292 PRO CA . 27870 1 651 . 1 . 1 162 162 PRO CB C 13 30.900 0.4 . 1 . . . . . 292 PRO CB . 27870 1 652 . 1 . 1 163 163 ARG H H 1 8.315 0.03 . 1 . . . . . 293 ARG H . 27870 1 653 . 1 . 1 163 163 ARG C C 13 176.970 0.4 . 1 . . . . . 293 ARG C . 27870 1 654 . 1 . 1 163 163 ARG CA C 13 58.260 0.4 . 1 . . . . . 293 ARG CA . 27870 1 655 . 1 . 1 163 163 ARG CB C 13 28.960 0.4 . 1 . . . . . 293 ARG CB . 27870 1 656 . 1 . 1 163 163 ARG N N 15 115.371 0.4 . 1 . . . . . 293 ARG N . 27870 1 657 . 1 . 1 164 164 ASP H H 1 6.992 0.03 . 1 . . . . . 294 ASP H . 27870 1 658 . 1 . 1 164 164 ASP C C 13 174.850 0.4 . 1 . . . . . 294 ASP C . 27870 1 659 . 1 . 1 164 164 ASP CA C 13 54.000 0.4 . 1 . . . . . 294 ASP CA . 27870 1 660 . 1 . 1 164 164 ASP CB C 13 41.880 0.4 . 1 . . . . . 294 ASP CB . 27870 1 661 . 1 . 1 164 164 ASP N N 15 114.980 0.4 . 1 . . . . . 294 ASP N . 27870 1 662 . 1 . 1 165 165 HIS H H 1 7.494 0.03 . 1 . . . . . 295 HIS H . 27870 1 663 . 1 . 1 165 165 HIS C C 13 171.600 0.4 . 1 . . . . . 295 HIS C . 27870 1 664 . 1 . 1 165 165 HIS CA C 13 56.580 0.4 . 1 . . . . . 295 HIS CA . 27870 1 665 . 1 . 1 165 165 HIS CB C 13 32.000 0.4 . 1 . . . . . 295 HIS CB . 27870 1 666 . 1 . 1 165 165 HIS N N 15 114.333 0.4 . 1 . . . . . 295 HIS N . 27870 1 667 . 1 . 1 166 166 VAL H H 1 7.303 0.03 . 1 . . . . . 296 VAL H . 27870 1 668 . 1 . 1 166 166 VAL C C 13 174.980 0.4 . 1 . . . . . 296 VAL C . 27870 1 669 . 1 . 1 166 166 VAL CA C 13 61.280 0.4 . 1 . . . . . 296 VAL CA . 27870 1 670 . 1 . 1 166 166 VAL CB C 13 33.370 0.4 . 1 . . . . . 296 VAL CB . 27870 1 671 . 1 . 1 166 166 VAL N N 15 119.134 0.4 . 1 . . . . . 296 VAL N . 27870 1 672 . 1 . 1 167 167 PHE H H 1 9.323 0.03 . 1 . . . . . 297 PHE H . 27870 1 673 . 1 . 1 167 167 PHE C C 13 173.830 0.4 . 1 . . . . . 297 PHE C . 27870 1 674 . 1 . 1 167 167 PHE CA C 13 55.570 0.4 . 1 . . . . . 297 PHE CA . 27870 1 675 . 1 . 1 167 167 PHE CB C 13 42.480 0.4 . 1 . . . . . 297 PHE CB . 27870 1 676 . 1 . 1 167 167 PHE N N 15 125.797 0.4 . 1 . . . . . 297 PHE N . 27870 1 677 . 1 . 1 168 168 GLN H H 1 8.706 0.03 . 1 . . . . . 298 GLN H . 27870 1 678 . 1 . 1 168 168 GLN C C 13 174.770 0.4 . 1 . . . . . 298 GLN C . 27870 1 679 . 1 . 1 168 168 GLN CA C 13 54.790 0.4 . 1 . . . . . 298 GLN CA . 27870 1 680 . 1 . 1 168 168 GLN CB C 13 31.470 0.4 . 1 . . . . . 298 GLN CB . 27870 1 681 . 1 . 1 168 168 GLN N N 15 121.892 0.4 . 1 . . . . . 298 GLN N . 27870 1 682 . 1 . 1 169 169 VAL H H 1 8.042 0.03 . 1 . . . . . 299 VAL H . 27870 1 683 . 1 . 1 169 169 VAL C C 13 176.740 0.4 . 1 . . . . . 299 VAL C . 27870 1 684 . 1 . 1 169 169 VAL CA C 13 58.320 0.4 . 1 . . . . . 299 VAL CA . 27870 1 685 . 1 . 1 169 169 VAL CB C 13 35.270 0.4 . 1 . . . . . 299 VAL CB . 27870 1 686 . 1 . 1 169 169 VAL N N 15 114.436 0.4 . 1 . . . . . 299 VAL N . 27870 1 687 . 1 . 1 170 170 ASN H H 1 9.161 0.03 . 1 . . . . . 300 ASN H . 27870 1 688 . 1 . 1 170 170 ASN C C 13 174.320 0.4 . 1 . . . . . 300 ASN C . 27870 1 689 . 1 . 1 170 170 ASN CA C 13 55.590 0.4 . 1 . . . . . 300 ASN CA . 27870 1 690 . 1 . 1 170 170 ASN CB C 13 38.420 0.4 . 1 . . . . . 300 ASN CB . 27870 1 691 . 1 . 1 170 170 ASN N N 15 120.148 0.4 . 1 . . . . . 300 ASN N . 27870 1 692 . 1 . 1 171 171 ASN H H 1 7.283 0.03 . 1 . . . . . 301 ASN H . 27870 1 693 . 1 . 1 171 171 ASN C C 13 174.170 0.4 . 1 . . . . . 301 ASN C . 27870 1 694 . 1 . 1 171 171 ASN CA C 13 51.510 0.4 . 1 . . . . . 301 ASN CA . 27870 1 695 . 1 . 1 171 171 ASN CB C 13 38.200 0.4 . 1 . . . . . 301 ASN CB . 27870 1 696 . 1 . 1 171 171 ASN N N 15 110.063 0.4 . 1 . . . . . 301 ASN N . 27870 1 697 . 1 . 1 172 172 PHE H H 1 8.538 0.03 . 1 . . . . . 302 PHE H . 27870 1 698 . 1 . 1 172 172 PHE C C 13 179.100 0.4 . 1 . . . . . 302 PHE C . 27870 1 699 . 1 . 1 172 172 PHE CA C 13 62.510 0.4 . 1 . . . . . 302 PHE CA . 27870 1 700 . 1 . 1 172 172 PHE CB C 13 38.800 0.4 . 1 . . . . . 302 PHE CB . 27870 1 701 . 1 . 1 172 172 PHE N N 15 116.493 0.4 . 1 . . . . . 302 PHE N . 27870 1 702 . 1 . 1 173 173 GLU H H 1 8.883 0.03 . 1 . . . . . 303 GLU H . 27870 1 703 . 1 . 1 173 173 GLU C C 13 177.060 0.4 . 1 . . . . . 303 GLU C . 27870 1 704 . 1 . 1 173 173 GLU CA C 13 58.930 0.4 . 1 . . . . . 303 GLU CA . 27870 1 705 . 1 . 1 173 173 GLU CB C 13 28.490 0.4 . 1 . . . . . 303 GLU CB . 27870 1 706 . 1 . 1 173 173 GLU N N 15 123.938 0.4 . 1 . . . . . 303 GLU N . 27870 1 707 . 1 . 1 174 174 ALA H H 1 7.657 0.03 . 1 . . . . . 304 ALA H . 27870 1 708 . 1 . 1 174 174 ALA C C 13 179.340 0.4 . 1 . . . . . 304 ALA C . 27870 1 709 . 1 . 1 174 174 ALA CA C 13 51.880 0.4 . 1 . . . . . 304 ALA CA . 27870 1 710 . 1 . 1 174 174 ALA CB C 13 18.700 0.4 . 1 . . . . . 304 ALA CB . 27870 1 711 . 1 . 1 174 174 ALA N N 15 117.529 0.4 . 1 . . . . . 304 ALA N . 27870 1 712 . 1 . 1 175 175 LEU H H 1 7.686 0.03 . 1 . . . . . 305 LEU H . 27870 1 713 . 1 . 1 175 175 LEU C C 13 177.320 0.4 . 1 . . . . . 305 LEU C . 27870 1 714 . 1 . 1 175 175 LEU CA C 13 58.280 0.4 . 1 . . . . . 305 LEU CA . 27870 1 715 . 1 . 1 175 175 LEU CB C 13 39.580 0.4 . 1 . . . . . 305 LEU CB . 27870 1 716 . 1 . 1 175 175 LEU N N 15 123.795 0.4 . 1 . . . . . 305 LEU N . 27870 1 717 . 1 . 1 176 176 LYS H H 1 7.653 0.03 . 1 . . . . . 306 LYS H . 27870 1 718 . 1 . 1 176 176 LYS C C 13 178.490 0.4 . 1 . . . . . 306 LYS C . 27870 1 719 . 1 . 1 176 176 LYS CA C 13 58.540 0.4 . 1 . . . . . 306 LYS CA . 27870 1 720 . 1 . 1 176 176 LYS CB C 13 31.640 0.4 . 1 . . . . . 306 LYS CB . 27870 1 721 . 1 . 1 176 176 LYS N N 15 113.049 0.4 . 1 . . . . . 306 LYS N . 27870 1 722 . 1 . 1 177 177 THR H H 1 7.776 0.03 . 1 . . . . . 307 THR H . 27870 1 723 . 1 . 1 177 177 THR C C 13 176.450 0.4 . 1 . . . . . 307 THR C . 27870 1 724 . 1 . 1 177 177 THR CA C 13 63.820 0.4 . 1 . . . . . 307 THR CA . 27870 1 725 . 1 . 1 177 177 THR CB C 13 69.660 0.4 . 1 . . . . . 307 THR CB . 27870 1 726 . 1 . 1 177 177 THR N N 15 109.763 0.4 . 1 . . . . . 307 THR N . 27870 1 727 . 1 . 1 178 178 ILE H H 1 7.383 0.03 . 1 . . . . . 308 ILE H . 27870 1 728 . 1 . 1 178 178 ILE C C 13 176.140 0.4 . 1 . . . . . 308 ILE C . 27870 1 729 . 1 . 1 178 178 ILE CA C 13 60.140 0.4 . 1 . . . . . 308 ILE CA . 27870 1 730 . 1 . 1 178 178 ILE CB C 13 38.400 0.4 . 1 . . . . . 308 ILE CB . 27870 1 731 . 1 . 1 178 178 ILE N N 15 112.392 0.4 . 1 . . . . . 308 ILE N . 27870 1 732 . 1 . 1 179 179 GLN H H 1 7.240 0.03 . 1 . . . . . 309 GLN H . 27870 1 733 . 1 . 1 179 179 GLN C C 13 177.040 0.4 . 1 . . . . . 309 GLN C . 27870 1 734 . 1 . 1 179 179 GLN CA C 13 60.190 0.4 . 1 . . . . . 309 GLN CA . 27870 1 735 . 1 . 1 179 179 GLN CB C 13 28.900 0.4 . 1 . . . . . 309 GLN CB . 27870 1 736 . 1 . 1 179 179 GLN N N 15 120.813 0.4 . 1 . . . . . 309 GLN N . 27870 1 737 . 1 . 1 180 180 ASN H H 1 8.653 0.03 . 1 . . . . . 310 ASN H . 27870 1 738 . 1 . 1 180 180 ASN C C 13 177.180 0.4 . 1 . . . . . 310 ASN C . 27870 1 739 . 1 . 1 180 180 ASN CA C 13 55.840 0.4 . 1 . . . . . 310 ASN CA . 27870 1 740 . 1 . 1 180 180 ASN CB C 13 37.100 0.4 . 1 . . . . . 310 ASN CB . 27870 1 741 . 1 . 1 180 180 ASN N N 15 116.672 0.4 . 1 . . . . . 310 ASN N . 27870 1 742 . 1 . 1 181 181 GLN H H 1 8.131 0.03 . 1 . . . . . 311 GLN H . 27870 1 743 . 1 . 1 181 181 GLN C C 13 178.250 0.4 . 1 . . . . . 311 GLN C . 27870 1 744 . 1 . 1 181 181 GLN CA C 13 58.830 0.4 . 1 . . . . . 311 GLN CA . 27870 1 745 . 1 . 1 181 181 GLN CB C 13 30.300 0.4 . 1 . . . . . 311 GLN CB . 27870 1 746 . 1 . 1 181 181 GLN N N 15 120.723 0.4 . 1 . . . . . 311 GLN N . 27870 1 747 . 1 . 1 182 182 LEU H H 1 8.061 0.03 . 1 . . . . . 312 LEU H . 27870 1 748 . 1 . 1 182 182 LEU C C 13 177.220 0.4 . 1 . . . . . 312 LEU C . 27870 1 749 . 1 . 1 182 182 LEU CA C 13 57.700 0.4 . 1 . . . . . 312 LEU CA . 27870 1 750 . 1 . 1 182 182 LEU CB C 13 41.000 0.4 . 1 . . . . . 312 LEU CB . 27870 1 751 . 1 . 1 182 182 LEU N N 15 119.426 0.4 . 1 . . . . . 312 LEU N . 27870 1 752 . 1 . 1 183 183 ARG H H 1 7.449 0.03 . 1 . . . . . 313 ARG H . 27870 1 753 . 1 . 1 183 183 ARG C C 13 176.960 0.4 . 1 . . . . . 313 ARG C . 27870 1 754 . 1 . 1 183 183 ARG CA C 13 59.280 0.4 . 1 . . . . . 313 ARG CA . 27870 1 755 . 1 . 1 183 183 ARG CB C 13 29.070 0.4 . 1 . . . . . 313 ARG CB . 27870 1 756 . 1 . 1 183 183 ARG N N 15 117.115 0.4 . 1 . . . . . 313 ARG N . 27870 1 757 . 1 . 1 184 184 GLU H H 1 8.067 0.03 . 1 . . . . . 314 GLU H . 27870 1 758 . 1 . 1 184 184 GLU C C 13 179.940 0.4 . 1 . . . . . 314 GLU C . 27870 1 759 . 1 . 1 184 184 GLU CA C 13 59.050 0.4 . 1 . . . . . 314 GLU CA . 27870 1 760 . 1 . 1 184 184 GLU CB C 13 29.150 0.4 . 1 . . . . . 314 GLU CB . 27870 1 761 . 1 . 1 184 184 GLU N N 15 116.203 0.4 . 1 . . . . . 314 GLU N . 27870 1 762 . 1 . 1 185 185 LYS H H 1 7.857 0.03 . 1 . . . . . 315 LYS H . 27870 1 763 . 1 . 1 185 185 LYS C C 13 179.160 0.4 . 1 . . . . . 315 LYS C . 27870 1 764 . 1 . 1 185 185 LYS CA C 13 58.390 0.4 . 1 . . . . . 315 LYS CA . 27870 1 765 . 1 . 1 185 185 LYS CB C 13 31.520 0.4 . 1 . . . . . 315 LYS CB . 27870 1 766 . 1 . 1 185 185 LYS N N 15 117.678 0.4 . 1 . . . . . 315 LYS N . 27870 1 767 . 1 . 1 186 186 ILE H H 1 7.820 0.03 . 1 . . . . . 316 ILE H . 27870 1 768 . 1 . 1 186 186 ILE C C 13 178.660 0.4 . 1 . . . . . 316 ILE C . 27870 1 769 . 1 . 1 186 186 ILE CA C 13 64.880 0.4 . 1 . . . . . 316 ILE CA . 27870 1 770 . 1 . 1 186 186 ILE CB C 13 36.960 0.4 . 1 . . . . . 316 ILE CB . 27870 1 771 . 1 . 1 186 186 ILE N N 15 119.941 0.4 . 1 . . . . . 316 ILE N . 27870 1 772 . 1 . 1 187 187 PHE H H 1 8.648 0.03 . 1 . . . . . 317 PHE H . 27870 1 773 . 1 . 1 187 187 PHE C C 13 177.780 0.4 . 1 . . . . . 317 PHE C . 27870 1 774 . 1 . 1 187 187 PHE CA C 13 57.440 0.4 . 1 . . . . . 317 PHE CA . 27870 1 775 . 1 . 1 187 187 PHE CB C 13 36.880 0.4 . 1 . . . . . 317 PHE CB . 27870 1 776 . 1 . 1 187 187 PHE N N 15 118.930 0.4 . 1 . . . . . 317 PHE N . 27870 1 777 . 1 . 1 188 188 ALA H H 1 7.549 0.03 . 1 . . . . . 318 ALA H . 27870 1 778 . 1 . 1 188 188 ALA C C 13 178.780 0.4 . 1 . . . . . 318 ALA C . 27870 1 779 . 1 . 1 188 188 ALA CA C 13 53.050 0.4 . 1 . . . . . 318 ALA CA . 27870 1 780 . 1 . 1 188 188 ALA CB C 13 18.200 0.4 . 1 . . . . . 318 ALA CB . 27870 1 781 . 1 . 1 188 188 ALA N N 15 120.216 0.4 . 1 . . . . . 318 ALA N . 27870 1 782 . 1 . 1 189 189 ILE H H 1 7.464 0.03 . 1 . . . . . 319 ILE H . 27870 1 783 . 1 . 1 189 189 ILE C C 13 176.700 0.4 . 1 . . . . . 319 ILE C . 27870 1 784 . 1 . 1 189 189 ILE CA C 13 63.020 0.4 . 1 . . . . . 319 ILE CA . 27870 1 785 . 1 . 1 189 189 ILE CB C 13 37.500 0.4 . 1 . . . . . 319 ILE CB . 27870 1 786 . 1 . 1 189 189 ILE N N 15 120.487 0.4 . 1 . . . . . 319 ILE N . 27870 1 787 . 1 . 1 190 190 GLU H H 1 7.674 0.03 . 1 . . . . . 320 GLU H . 27870 1 788 . 1 . 1 190 190 GLU C C 13 177.080 0.4 . 1 . . . . . 320 GLU C . 27870 1 789 . 1 . 1 190 190 GLU CA C 13 56.650 0.4 . 1 . . . . . 320 GLU CA . 27870 1 790 . 1 . 1 190 190 GLU CB C 13 30.040 0.4 . 1 . . . . . 320 GLU CB . 27870 1 791 . 1 . 1 190 190 GLU N N 15 119.798 0.4 . 1 . . . . . 320 GLU N . 27870 1 792 . 1 . 1 191 191 GLY H H 1 8.033 0.03 . 1 . . . . . 321 GLY H . 27870 1 793 . 1 . 1 191 191 GLY C C 13 174.510 0.4 . 1 . . . . . 321 GLY C . 27870 1 794 . 1 . 1 191 191 GLY CA C 13 45.140 0.4 . 1 . . . . . 321 GLY CA . 27870 1 795 . 1 . 1 191 191 GLY N N 15 107.940 0.4 . 1 . . . . . 321 GLY N . 27870 1 796 . 1 . 1 192 192 THR H H 1 7.932 0.03 . 1 . . . . . 322 THR H . 27870 1 797 . 1 . 1 192 192 THR C C 13 174.790 0.4 . 1 . . . . . 322 THR C . 27870 1 798 . 1 . 1 192 192 THR CA C 13 61.870 0.4 . 1 . . . . . 322 THR CA . 27870 1 799 . 1 . 1 192 192 THR CB C 13 69.600 0.4 . 1 . . . . . 322 THR CB . 27870 1 800 . 1 . 1 192 192 THR N N 15 113.226 0.4 . 1 . . . . . 322 THR N . 27870 1 801 . 1 . 1 193 193 GLN H H 1 8.465 0.03 . 1 . . . . . 323 GLN H . 27870 1 802 . 1 . 1 193 193 GLN C C 13 176.240 0.4 . 1 . . . . . 323 GLN C . 27870 1 803 . 1 . 1 193 193 GLN CA C 13 55.530 0.4 . 1 . . . . . 323 GLN CA . 27870 1 804 . 1 . 1 193 193 GLN CB C 13 29.140 0.4 . 1 . . . . . 323 GLN CB . 27870 1 805 . 1 . 1 193 193 GLN N N 15 123.332 0.4 . 1 . . . . . 323 GLN N . 27870 1 806 . 1 . 1 194 194 THR H H 1 7.908 0.03 . 1 . . . . . 324 THR H . 27870 1 807 . 1 . 1 194 194 THR C C 13 175.230 0.4 . 1 . . . . . 324 THR C . 27870 1 808 . 1 . 1 194 194 THR CA C 13 61.720 0.4 . 1 . . . . . 324 THR CA . 27870 1 809 . 1 . 1 194 194 THR CB C 13 69.470 0.4 . 1 . . . . . 324 THR CB . 27870 1 810 . 1 . 1 194 194 THR N N 15 121.260 0.4 . 1 . . . . . 324 THR N . 27870 1 stop_ save_