data_17445 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17445 _Entry.Title ; 1H 15N 13C Backbone Assignment of Akap79 'M' domain, a human A-kinase anchor protein 5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-07 _Entry.Accession_date 2011-02-07 _Entry.Last_release_date 2014-03-05 _Entry.Original_release_date 2014-03-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details "The 'M' domain of Akap79 is an inherently unstructured region shown to bind Sap97." _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.Entry_ID 1 Marie Phelan . M. . 17445 2 Mark Tully . D. . 17445 3 Lu-Yun Lian . . . 17445 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17445 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 491 17445 '15N chemical shifts' 157 17445 '1H chemical shifts' 577 17445 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 . . 2014-03-05 2011-02-07 original author . 17445 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17445 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22242544 _Citation.Full_citation . _Citation.Title 'Conformational characterization of synapse-associated protein 97 by nuclear magnetic resonance and small-angle X-ray scattering shows compact and elongated forms' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 51 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 899 _Citation.Page_last 908 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Marie Phelan . M. . 17445 1 2 Mark Tully . D. . 17445 1 3 Lu-Yun Lian . . . 17445 1 4 Grossman J. . G. . 17445 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Akap5 17445 1 Akap79 17445 1 'anchor protein' 17445 1 'scaffold protein' 17445 1 unstructured 17445 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17445 _Assembly.ID 1 _Assembly.Name Akap79M _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 Akap79M 1 $Akap79M A . yes native no no . . . 17445 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes UNP P24588 . . . . . . 17445 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Akap79M _Entity.Sf_category entity _Entity.Sf_framecode Akap79M _Entity.Entry_ID 17445 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Akap79M _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 ; IKVQEEAEILDIQTQTPLND QATKAKSTQDLSEGISQKDG DEVCESNVSNSITSGEKVIS VELGLDNGHSAIQTGTLILE EIETIKEKQDVQPQQASPLE TSETDHQQPVLSDVPPLPAI PDQQIVEEASNSTLESAPNG KDYESTEIVAEETKPKDTEL SQESDFKENG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 153-315 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 170 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'M region' _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAG37736 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 427 99.41 100.00 1.36e-110 . . . . 17445 1 2 no GB AAA58363 . "protein kinase [Homo sapiens]" . . . . . 100.00 427 100.00 100.00 4.74e-111 . . . . 17445 1 3 no GB AAH57229 . "AKAP5 protein, partial [Homo sapiens]" . . . . . 82.94 298 97.87 98.58 3.19e-88 . . . . 17445 1 4 no GB AAI31517 . "A kinase (PRKA) anchor protein 5 [Homo sapiens]" . . . . . 100.00 427 99.41 100.00 1.36e-110 . . . . 17445 1 5 no GB AIC55599 . "AKAP5, partial [synthetic construct]" . . . . . 100.00 427 99.41 100.00 1.36e-110 . . . . 17445 1 6 no GB EAW80862 . "A kinase (PRKA) anchor protein 5 [Homo sapiens]" . . . . . 100.00 427 99.41 100.00 1.36e-110 . . . . 17445 1 7 no REF NP_004848 . "A-kinase anchor protein 5 [Homo sapiens]" . . . . . 100.00 427 98.82 99.41 9.79e-110 . . . . 17445 1 8 no REF XP_002824884 . "PREDICTED: A-kinase anchor protein 5 [Pongo abelii]" . . . . . 100.00 427 97.65 98.24 7.76e-108 . . . . 17445 1 9 no REF XP_003831662 . "PREDICTED: A-kinase anchor protein 5 [Pan paniscus]" . . . . . 100.00 427 98.82 99.41 2.31e-109 . . . . 17445 1 10 no REF XP_004055341 . "PREDICTED: A-kinase anchor protein 5 isoform 1 [Gorilla gorilla gorilla]" . . . . . 100.00 427 98.82 100.00 8.60e-110 . . . . 17445 1 11 no REF XP_004055342 . "PREDICTED: A-kinase anchor protein 5 isoform 2 [Gorilla gorilla gorilla]" . . . . . 100.00 427 98.82 100.00 8.60e-110 . . . . 17445 1 12 no SP P24588 . "RecName: Full=A-kinase anchor protein 5; Short=AKAP-5; AltName: Full=A-kinase anchor protein 79 kDa; Short=AKAP 79; AltName: Fu" . . . . . 100.00 427 98.82 99.41 9.79e-110 . . . . 17445 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'middle portion of anchor protein Akap79' 17445 1 'Sap97 binding partner' 17445 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 1 152 ILE . 17445 1 2 153 LYS . 17445 1 3 154 VAL . 17445 1 4 155 GLN . 17445 1 5 156 GLU . 17445 1 6 157 GLU . 17445 1 7 158 ALA . 17445 1 8 159 GLU . 17445 1 9 160 ILE . 17445 1 10 161 LEU . 17445 1 11 162 ASP . 17445 1 12 163 ILE . 17445 1 13 164 GLN . 17445 1 14 165 THR . 17445 1 15 166 GLN . 17445 1 16 167 THR . 17445 1 17 168 PRO . 17445 1 18 169 LEU . 17445 1 19 170 ASN . 17445 1 20 171 ASP . 17445 1 21 172 GLN . 17445 1 22 173 ALA . 17445 1 23 174 THR . 17445 1 24 175 LYS . 17445 1 25 176 ALA . 17445 1 26 177 LYS . 17445 1 27 178 SER . 17445 1 28 179 THR . 17445 1 29 180 GLN . 17445 1 30 181 ASP . 17445 1 31 182 LEU . 17445 1 32 183 SER . 17445 1 33 184 GLU . 17445 1 34 185 GLY . 17445 1 35 186 ILE . 17445 1 36 187 SER . 17445 1 37 188 GLN . 17445 1 38 189 LYS . 17445 1 39 190 ASP . 17445 1 40 191 GLY . 17445 1 41 192 ASP . 17445 1 42 193 GLU . 17445 1 43 194 VAL . 17445 1 44 195 CYS . 17445 1 45 196 GLU . 17445 1 46 197 SER . 17445 1 47 198 ASN . 17445 1 48 199 VAL . 17445 1 49 200 SER . 17445 1 50 201 ASN . 17445 1 51 202 SER . 17445 1 52 203 ILE . 17445 1 53 204 THR . 17445 1 54 205 SER . 17445 1 55 206 GLY . 17445 1 56 207 GLU . 17445 1 57 208 LYS . 17445 1 58 209 VAL . 17445 1 59 210 ILE . 17445 1 60 211 SER . 17445 1 61 212 VAL . 17445 1 62 213 GLU . 17445 1 63 214 LEU . 17445 1 64 215 GLY . 17445 1 65 216 LEU . 17445 1 66 217 ASP . 17445 1 67 218 ASN . 17445 1 68 219 GLY . 17445 1 69 220 HIS . 17445 1 70 221 SER . 17445 1 71 222 ALA . 17445 1 72 223 ILE . 17445 1 73 224 GLN . 17445 1 74 225 THR . 17445 1 75 226 GLY . 17445 1 76 227 THR . 17445 1 77 228 LEU . 17445 1 78 229 ILE . 17445 1 79 230 LEU . 17445 1 80 231 GLU . 17445 1 81 232 GLU . 17445 1 82 233 ILE . 17445 1 83 234 GLU . 17445 1 84 235 THR . 17445 1 85 236 ILE . 17445 1 86 237 LYS . 17445 1 87 238 GLU . 17445 1 88 239 LYS . 17445 1 89 240 GLN . 17445 1 90 241 ASP . 17445 1 91 242 VAL . 17445 1 92 243 GLN . 17445 1 93 244 PRO . 17445 1 94 245 GLN . 17445 1 95 246 GLN . 17445 1 96 247 ALA . 17445 1 97 248 SER . 17445 1 98 249 PRO . 17445 1 99 250 LEU . 17445 1 100 251 GLU . 17445 1 101 252 THR . 17445 1 102 253 SER . 17445 1 103 254 GLU . 17445 1 104 255 THR . 17445 1 105 256 ASP . 17445 1 106 257 HIS . 17445 1 107 258 GLN . 17445 1 108 259 GLN . 17445 1 109 260 PRO . 17445 1 110 261 VAL . 17445 1 111 262 LEU . 17445 1 112 263 SER . 17445 1 113 264 ASP . 17445 1 114 265 VAL . 17445 1 115 266 PRO . 17445 1 116 267 PRO . 17445 1 117 268 LEU . 17445 1 118 269 PRO . 17445 1 119 270 ALA . 17445 1 120 271 ILE . 17445 1 121 272 PRO . 17445 1 122 273 ASP . 17445 1 123 274 GLN . 17445 1 124 275 GLN . 17445 1 125 276 ILE . 17445 1 126 277 VAL . 17445 1 127 278 GLU . 17445 1 128 279 GLU . 17445 1 129 280 ALA . 17445 1 130 281 SER . 17445 1 131 282 ASN . 17445 1 132 283 SER . 17445 1 133 284 THR . 17445 1 134 285 LEU . 17445 1 135 286 GLU . 17445 1 136 287 SER . 17445 1 137 288 ALA . 17445 1 138 289 PRO . 17445 1 139 290 ASN . 17445 1 140 291 GLY . 17445 1 141 292 LYS . 17445 1 142 293 ASP . 17445 1 143 294 TYR . 17445 1 144 295 GLU . 17445 1 145 296 SER . 17445 1 146 297 THR . 17445 1 147 298 GLU . 17445 1 148 299 ILE . 17445 1 149 300 VAL . 17445 1 150 301 ALA . 17445 1 151 302 GLU . 17445 1 152 303 GLU . 17445 1 153 304 THR . 17445 1 154 305 LYS . 17445 1 155 306 PRO . 17445 1 156 307 LYS . 17445 1 157 308 ASP . 17445 1 158 309 THR . 17445 1 159 310 GLU . 17445 1 160 311 LEU . 17445 1 161 312 SER . 17445 1 162 313 GLN . 17445 1 163 314 GLU . 17445 1 164 315 SER . 17445 1 165 316 ASP . 17445 1 166 317 PHE . 17445 1 167 318 LYS . 17445 1 168 319 GLU . 17445 1 169 320 ASN . 17445 1 170 321 GLY . 17445 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 . ILE 1 1 17445 1 . LYS 2 2 17445 1 . VAL 3 3 17445 1 . GLN 4 4 17445 1 . GLU 5 5 17445 1 . GLU 6 6 17445 1 . ALA 7 7 17445 1 . GLU 8 8 17445 1 . ILE 9 9 17445 1 . LEU 10 10 17445 1 . ASP 11 11 17445 1 . ILE 12 12 17445 1 . GLN 13 13 17445 1 . THR 14 14 17445 1 . GLN 15 15 17445 1 . THR 16 16 17445 1 . PRO 17 17 17445 1 . LEU 18 18 17445 1 . ASN 19 19 17445 1 . ASP 20 20 17445 1 . GLN 21 21 17445 1 . ALA 22 22 17445 1 . THR 23 23 17445 1 . LYS 24 24 17445 1 . ALA 25 25 17445 1 . LYS 26 26 17445 1 . SER 27 27 17445 1 . THR 28 28 17445 1 . GLN 29 29 17445 1 . ASP 30 30 17445 1 . LEU 31 31 17445 1 . SER 32 32 17445 1 . GLU 33 33 17445 1 . GLY 34 34 17445 1 . ILE 35 35 17445 1 . SER 36 36 17445 1 . GLN 37 37 17445 1 . LYS 38 38 17445 1 . ASP 39 39 17445 1 . GLY 40 40 17445 1 . ASP 41 41 17445 1 . GLU 42 42 17445 1 . VAL 43 43 17445 1 . CYS 44 44 17445 1 . GLU 45 45 17445 1 . SER 46 46 17445 1 . ASN 47 47 17445 1 . VAL 48 48 17445 1 . SER 49 49 17445 1 . ASN 50 50 17445 1 . SER 51 51 17445 1 . ILE 52 52 17445 1 . THR 53 53 17445 1 . SER 54 54 17445 1 . GLY 55 55 17445 1 . GLU 56 56 17445 1 . LYS 57 57 17445 1 . VAL 58 58 17445 1 . ILE 59 59 17445 1 . SER 60 60 17445 1 . VAL 61 61 17445 1 . GLU 62 62 17445 1 . LEU 63 63 17445 1 . GLY 64 64 17445 1 . LEU 65 65 17445 1 . ASP 66 66 17445 1 . ASN 67 67 17445 1 . GLY 68 68 17445 1 . HIS 69 69 17445 1 . SER 70 70 17445 1 . ALA 71 71 17445 1 . ILE 72 72 17445 1 . GLN 73 73 17445 1 . THR 74 74 17445 1 . GLY 75 75 17445 1 . THR 76 76 17445 1 . LEU 77 77 17445 1 . ILE 78 78 17445 1 . LEU 79 79 17445 1 . GLU 80 80 17445 1 . GLU 81 81 17445 1 . ILE 82 82 17445 1 . GLU 83 83 17445 1 . THR 84 84 17445 1 . ILE 85 85 17445 1 . LYS 86 86 17445 1 . GLU 87 87 17445 1 . LYS 88 88 17445 1 . GLN 89 89 17445 1 . ASP 90 90 17445 1 . VAL 91 91 17445 1 . GLN 92 92 17445 1 . PRO 93 93 17445 1 . GLN 94 94 17445 1 . GLN 95 95 17445 1 . ALA 96 96 17445 1 . SER 97 97 17445 1 . PRO 98 98 17445 1 . LEU 99 99 17445 1 . GLU 100 100 17445 1 . THR 101 101 17445 1 . SER 102 102 17445 1 . GLU 103 103 17445 1 . THR 104 104 17445 1 . ASP 105 105 17445 1 . HIS 106 106 17445 1 . GLN 107 107 17445 1 . GLN 108 108 17445 1 . PRO 109 109 17445 1 . VAL 110 110 17445 1 . LEU 111 111 17445 1 . SER 112 112 17445 1 . ASP 113 113 17445 1 . VAL 114 114 17445 1 . PRO 115 115 17445 1 . PRO 116 116 17445 1 . LEU 117 117 17445 1 . PRO 118 118 17445 1 . ALA 119 119 17445 1 . ILE 120 120 17445 1 . PRO 121 121 17445 1 . ASP 122 122 17445 1 . GLN 123 123 17445 1 . GLN 124 124 17445 1 . ILE 125 125 17445 1 . VAL 126 126 17445 1 . GLU 127 127 17445 1 . GLU 128 128 17445 1 . ALA 129 129 17445 1 . SER 130 130 17445 1 . ASN 131 131 17445 1 . SER 132 132 17445 1 . THR 133 133 17445 1 . LEU 134 134 17445 1 . GLU 135 135 17445 1 . SER 136 136 17445 1 . ALA 137 137 17445 1 . PRO 138 138 17445 1 . ASN 139 139 17445 1 . GLY 140 140 17445 1 . LYS 141 141 17445 1 . ASP 142 142 17445 1 . TYR 143 143 17445 1 . GLU 144 144 17445 1 . SER 145 145 17445 1 . THR 146 146 17445 1 . GLU 147 147 17445 1 . ILE 148 148 17445 1 . VAL 149 149 17445 1 . ALA 150 150 17445 1 . GLU 151 151 17445 1 . GLU 152 152 17445 1 . THR 153 153 17445 1 . LYS 154 154 17445 1 . PRO 155 155 17445 1 . LYS 156 156 17445 1 . ASP 157 157 17445 1 . THR 158 158 17445 1 . GLU 159 159 17445 1 . LEU 160 160 17445 1 . SER 161 161 17445 1 . GLN 162 162 17445 1 . GLU 163 163 17445 1 . SER 164 164 17445 1 . ASP 165 165 17445 1 . PHE 166 166 17445 1 . LYS 167 167 17445 1 . GLU 168 168 17445 1 . ASN 169 169 17445 1 . GLY 170 170 17445 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 17445 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Akap79M . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17445 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 17445 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Akap79M . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pOPIN-S . . . 'Hexahistindine tagged SUMO fusion protein with SUMO protease cleavage site' . . 17445 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17445 _Sample.ID 1 _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 Akap79M '[U-98% 13C; U-98% 15N]' . . 1 $Akap79M . . 1 . . mM . . . . 17445 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 17445 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17445 1 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 17445 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 17445 _Sample_condition_list.ID 1 _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' 100 . mM 17445 1 pH 6.5 . pH 17445 1 pressure 1 . atm 17445 1 temperature 288 . K 17445 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17445 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17445 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17445 1 processing 17445 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 17445 _Software.ID 2 _Software.Name Analysis _Software.Version 2.1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17445 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17445 2 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 17445 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with TXI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 17445 _NMR_spectrometer_list.ID 1 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 . 800 'equipped with TXI cryoprobe' . . 17445 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 17445 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17445 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17445 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17445 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17445 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17445 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17445 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17445 1 8 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17445 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 17445 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 'insert at center of experimental sample tube' . . . . . . . . 17445 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'insert at center of experimental sample tube' . . . . . . . . 17445 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 'insert at center of experimental sample tube' . . . . . . . . 17445 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 17445 _Assigned_chem_shift_list.ID 1 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17445 1 2 '2D 1H-13C HSQC' . . . 17445 1 3 '3D CBCA(CO)NH' . . . 17445 1 4 '3D HNCACB' . . . 17445 1 5 '3D HNCO' . . . 17445 1 6 '3D HN(CA)CO' . . . 17445 1 7 '3D HBHA(CO)NH' . . . 17445 1 8 '3D HBHANH' . . . 17445 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LYS HA H 1 4.242 0.001 . 1 . . . . 153 Lys HA . 17445 1 2 . 1 1 2 2 LYS HB2 H 1 1.601 0.001 . 2 . . . . 153 Lys HB2 . 17445 1 3 . 1 1 2 2 LYS HB3 H 1 1.542 0.001 . 2 . . . . 153 Lys HB3 . 17445 1 4 . 1 1 2 2 LYS C C 13 175.940 0.001 . 1 . . . . 153 Lys C . 17445 1 5 . 1 1 2 2 LYS CA C 13 55.956 0.001 . 1 . . . . 153 Lys CA . 17445 1 6 . 1 1 2 2 LYS CB C 13 33.047 0.001 . 1 . . . . 153 Lys CB . 17445 1 7 . 1 1 3 3 VAL H H 1 8.291 0.001 . 1 . . . . 154 Val H . 17445 1 8 . 1 1 3 3 VAL HA H 1 3.877 0.001 . 1 . . . . 154 Val HA . 17445 1 9 . 1 1 3 3 VAL HB H 1 1.857 0.001 . 1 . . . . 154 Val HB . 17445 1 10 . 1 1 3 3 VAL C C 13 175.873 0.001 . 1 . . . . 154 Val C . 17445 1 11 . 1 1 3 3 VAL CA C 13 62.265 0.001 . 1 . . . . 154 Val CA . 17445 1 12 . 1 1 3 3 VAL CB C 13 32.528 0.001 . 1 . . . . 154 Val CB . 17445 1 13 . 1 1 3 3 VAL N N 15 123.587 0.005 . 1 . . . . 154 Val N . 17445 1 14 . 1 1 4 4 GLN H H 1 8.356 0.001 . 1 . . . . 155 Gln H . 17445 1 15 . 1 1 4 4 GLN HA H 1 4.109 0.001 . 1 . . . . 155 Gln HA . 17445 1 16 . 1 1 4 4 GLN HB2 H 1 1.875 0.001 . 2 . . . . 155 Gln HB2 . 17445 1 17 . 1 1 4 4 GLN HB3 H 1 1.795 0.001 . 2 . . . . 155 Gln HB3 . 17445 1 18 . 1 1 4 4 GLN C C 13 175.619 0.003 . 1 . . . . 155 Gln C . 17445 1 19 . 1 1 4 4 GLN CA C 13 55.727 0.010 . 1 . . . . 155 Gln CA . 17445 1 20 . 1 1 4 4 GLN CB C 13 29.266 0.025 . 1 . . . . 155 Gln CB . 17445 1 21 . 1 1 4 4 GLN N N 15 124.252 0.006 . 1 . . . . 155 Gln N . 17445 1 22 . 1 1 5 5 GLU H H 1 8.411 0.001 . 1 . . . . 156 Glu H . 17445 1 23 . 1 1 5 5 GLU HA H 1 4.070 0.001 . 1 . . . . 156 Glu HA . 17445 1 24 . 1 1 5 5 GLU C C 13 176.355 0.022 . 1 . . . . 156 Glu C . 17445 1 25 . 1 1 5 5 GLU CA C 13 56.577 0.001 . 1 . . . . 156 Glu CA . 17445 1 26 . 1 1 5 5 GLU CB C 13 30.051 0.001 . 1 . . . . 156 Glu CB . 17445 1 27 . 1 1 5 5 GLU N N 15 122.956 0.018 . 1 . . . . 156 Glu N . 17445 1 28 . 1 1 6 6 GLU H H 1 8.406 0.002 . 1 . . . . 157 Glu H . 17445 1 29 . 1 1 6 6 GLU HA H 1 4.043 0.001 . 1 . . . . 157 Glu HA . 17445 1 30 . 1 1 6 6 GLU HB2 H 1 1.850 0.001 . 2 . . . . 157 Glu HB2 . 17445 1 31 . 1 1 6 6 GLU HB3 H 1 1.732 0.001 . 2 . . . . 157 Glu HB3 . 17445 1 32 . 1 1 6 6 GLU C C 13 176.070 0.001 . 1 . . . . 157 Glu C . 17445 1 33 . 1 1 6 6 GLU CA C 13 56.415 0.001 . 1 . . . . 157 Glu CA . 17445 1 34 . 1 1 6 6 GLU CB C 13 30.124 0.001 . 1 . . . . 157 Glu CB . 17445 1 35 . 1 1 6 6 GLU N N 15 122.152 0.026 . 1 . . . . 157 Glu N . 17445 1 36 . 1 1 7 7 ALA H H 1 8.187 0.001 . 1 . . . . 158 Ala H . 17445 1 37 . 1 1 7 7 ALA HA H 1 4.071 0.001 . 1 . . . . 158 Ala HA . 17445 1 38 . 1 1 7 7 ALA HB1 H 1 1.182 0.001 . 1 . . . . 158 Ala HB1 . 17445 1 39 . 1 1 7 7 ALA HB2 H 1 1.182 0.001 . 1 . . . . 158 Ala HB2 . 17445 1 40 . 1 1 7 7 ALA HB3 H 1 1.182 0.001 . 1 . . . . 158 Ala HB3 . 17445 1 41 . 1 1 7 7 ALA C C 13 177.521 0.001 . 1 . . . . 158 Ala C . 17445 1 42 . 1 1 7 7 ALA CA C 13 52.365 0.001 . 1 . . . . 158 Ala CA . 17445 1 43 . 1 1 7 7 ALA CB C 13 19.169 0.004 . 1 . . . . 158 Ala CB . 17445 1 44 . 1 1 7 7 ALA N N 15 124.702 0.004 . 1 . . . . 158 Ala N . 17445 1 45 . 1 1 8 8 GLU H H 1 8.174 0.002 . 1 . . . . 159 Glu H . 17445 1 46 . 1 1 8 8 GLU HA H 1 4.033 0.001 . 1 . . . . 159 Glu HA . 17445 1 47 . 1 1 8 8 GLU C C 13 176.195 0.001 . 1 . . . . 159 Glu C . 17445 1 48 . 1 1 8 8 GLU CA C 13 56.358 0.001 . 1 . . . . 159 Glu CA . 17445 1 49 . 1 1 8 8 GLU CB C 13 30.202 0.001 . 1 . . . . 159 Glu CB . 17445 1 50 . 1 1 8 8 GLU N N 15 120.315 0.006 . 1 . . . . 159 Glu N . 17445 1 51 . 1 1 9 9 ILE H H 1 8.092 0.001 . 1 . . . . 160 Ile H . 17445 1 52 . 1 1 9 9 ILE HA H 1 3.912 0.001 . 1 . . . . 160 Ile HA . 17445 1 53 . 1 1 9 9 ILE HB H 1 1.647 0.001 . 1 . . . . 160 Ile HB . 17445 1 54 . 1 1 9 9 ILE C C 13 176.005 0.006 . 1 . . . . 160 Ile C . 17445 1 55 . 1 1 9 9 ILE CA C 13 60.894 0.004 . 1 . . . . 160 Ile CA . 17445 1 56 . 1 1 9 9 ILE CB C 13 38.183 0.010 . 1 . . . . 160 Ile CB . 17445 1 57 . 1 1 9 9 ILE N N 15 122.978 0.006 . 1 . . . . 160 Ile N . 17445 1 58 . 1 1 10 10 LEU H H 1 8.179 0.001 . 1 . . . . 161 Leu H . 17445 1 59 . 1 1 10 10 LEU HA H 1 4.168 0.001 . 1 . . . . 161 Leu HA . 17445 1 60 . 1 1 10 10 LEU HB2 H 1 1.327 0.001 . 2 . . . . 161 Leu HB2 . 17445 1 61 . 1 1 10 10 LEU HB3 H 1 1.427 0.001 . 2 . . . . 161 Leu HB3 . 17445 1 62 . 1 1 10 10 LEU C C 13 176.774 0.004 . 1 . . . . 161 Leu C . 17445 1 63 . 1 1 10 10 LEU CA C 13 54.751 0.004 . 1 . . . . 161 Leu CA . 17445 1 64 . 1 1 10 10 LEU CB C 13 42.423 0.008 . 1 . . . . 161 Leu CB . 17445 1 65 . 1 1 10 10 LEU N N 15 126.734 0.014 . 1 . . . . 161 Leu N . 17445 1 66 . 1 1 11 11 ASP H H 1 8.186 0.001 . 1 . . . . 162 Asp H . 17445 1 67 . 1 1 11 11 ASP HA H 1 4.408 0.001 . 1 . . . . 162 Asp HA . 17445 1 68 . 1 1 11 11 ASP HB2 H 1 2.522 0.001 . 2 . . . . 162 Asp HB2 . 17445 1 69 . 1 1 11 11 ASP HB3 H 1 2.368 0.001 . 2 . . . . 162 Asp HB3 . 17445 1 70 . 1 1 11 11 ASP C C 13 176.122 0.002 . 1 . . . . 162 Asp C . 17445 1 71 . 1 1 11 11 ASP CA C 13 53.979 0.007 . 1 . . . . 162 Asp CA . 17445 1 72 . 1 1 11 11 ASP CB C 13 40.884 0.014 . 1 . . . . 162 Asp CB . 17445 1 73 . 1 1 11 11 ASP N N 15 121.819 0.009 . 1 . . . . 162 Asp N . 17445 1 74 . 1 1 12 12 ILE H H 1 7.932 0.001 . 1 . . . . 163 Ile H . 17445 1 75 . 1 1 12 12 ILE HA H 1 3.928 0.001 . 1 . . . . 163 Ile HA . 17445 1 76 . 1 1 12 12 ILE HB H 1 1.690 0.001 . 1 . . . . 163 Ile HB . 17445 1 77 . 1 1 12 12 ILE C C 13 176.465 0.001 . 1 . . . . 163 Ile C . 17445 1 78 . 1 1 12 12 ILE CA C 13 61.332 0.009 . 1 . . . . 163 Ile CA . 17445 1 79 . 1 1 12 12 ILE CB C 13 38.478 0.008 . 1 . . . . 163 Ile CB . 17445 1 80 . 1 1 12 12 ILE N N 15 121.184 0.007 . 1 . . . . 163 Ile N . 17445 1 81 . 1 1 13 13 GLN H H 1 8.345 0.001 . 1 . . . . 164 Gln H . 17445 1 82 . 1 1 13 13 GLN HA H 1 4.172 0.001 . 1 . . . . 164 Gln HA . 17445 1 83 . 1 1 13 13 GLN HB2 H 1 1.935 0.001 . 2 . . . . 164 Gln HB2 . 17445 1 84 . 1 1 13 13 GLN HB3 H 1 1.832 0.001 . 2 . . . . 164 Gln HB3 . 17445 1 85 . 1 1 13 13 GLN C C 13 176.293 0.001 . 1 . . . . 164 Gln C . 17445 1 86 . 1 1 13 13 GLN CA C 13 55.899 0.002 . 1 . . . . 164 Gln CA . 17445 1 87 . 1 1 13 13 GLN CB C 13 29.112 0.001 . 1 . . . . 164 Gln CB . 17445 1 88 . 1 1 13 13 GLN N N 15 123.514 0.013 . 1 . . . . 164 Gln N . 17445 1 89 . 1 1 14 14 THR H H 1 8.005 0.002 . 1 . . . . 165 Thr H . 17445 1 90 . 1 1 14 14 THR HA H 1 4.102 0.001 . 1 . . . . 165 Thr HA . 17445 1 91 . 1 1 14 14 THR HB H 1 4.020 0.001 . 1 . . . . 165 Thr HB . 17445 1 92 . 1 1 14 14 THR C C 13 174.372 0.004 . 1 . . . . 165 Thr C . 17445 1 93 . 1 1 14 14 THR CA C 13 61.922 0.002 . 1 . . . . 165 Thr CA . 17445 1 94 . 1 1 14 14 THR CB C 13 69.482 0.004 . 1 . . . . 165 Thr CB . 17445 1 95 . 1 1 14 14 THR N N 15 115.062 0.011 . 1 . . . . 165 Thr N . 17445 1 96 . 1 1 15 15 GLN H H 1 8.223 0.001 . 1 . . . . 166 Gln H . 17445 1 97 . 1 1 15 15 GLN HA H 1 4.203 0.001 . 1 . . . . 166 Gln HA . 17445 1 98 . 1 1 15 15 GLN HB2 H 1 1.915 0.001 . 2 . . . . 166 Gln HB2 . 17445 1 99 . 1 1 15 15 GLN HB3 H 1 1.788 0.001 . 2 . . . . 166 Gln HB3 . 17445 1 100 . 1 1 15 15 GLN C C 13 175.629 0.001 . 1 . . . . 166 Gln C . 17445 1 101 . 1 1 15 15 GLN CA C 13 55.451 0.013 . 1 . . . . 166 Gln CA . 17445 1 102 . 1 1 15 15 GLN CB C 13 29.302 0.005 . 1 . . . . 166 Gln CB . 17445 1 103 . 1 1 15 15 GLN N N 15 122.559 0.038 . 1 . . . . 166 Gln N . 17445 1 104 . 1 1 16 16 THR H H 1 8.150 0.001 . 1 . . . . 167 Thr H . 17445 1 105 . 1 1 16 16 THR HA H 1 4.373 0.001 . 1 . . . . 167 Thr HA . 17445 1 106 . 1 1 16 16 THR HB H 1 3.940 0.001 . 1 . . . . 167 Thr HB . 17445 1 107 . 1 1 16 16 THR C C 13 172.587 0.001 . 1 . . . . 167 Thr C . 17445 1 108 . 1 1 16 16 THR CA C 13 59.862 0.001 . 1 . . . . 167 Thr CA . 17445 1 109 . 1 1 16 16 THR CB C 13 69.467 0.001 . 1 . . . . 167 Thr CB . 17445 1 110 . 1 1 16 16 THR N N 15 118.557 0.011 . 1 . . . . 167 Thr N . 17445 1 111 . 1 1 17 17 PRO HA H 1 4.212 0.001 . 1 . . . . 168 Pro HA . 17445 1 112 . 1 1 17 17 PRO C C 13 176.811 0.001 . 1 . . . . 168 Pro C . 17445 1 113 . 1 1 17 17 PRO CA C 13 62.987 0.001 . 1 . . . . 168 Pro CA . 17445 1 114 . 1 1 17 17 PRO CB C 13 32.006 0.001 . 1 . . . . 168 Pro CB . 17445 1 115 . 1 1 18 18 LEU H H 1 8.243 0.002 . 1 . . . . 169 Leu H . 17445 1 116 . 1 1 18 18 LEU HA H 1 4.074 0.001 . 1 . . . . 169 Leu HA . 17445 1 117 . 1 1 18 18 LEU HB2 H 1 1.437 0.001 . 2 . . . . 169 Leu HB2 . 17445 1 118 . 1 1 18 18 LEU HB3 H 1 1.353 0.001 . 2 . . . . 169 Leu HB3 . 17445 1 119 . 1 1 18 18 LEU C C 13 177.271 0.001 . 1 . . . . 169 Leu C . 17445 1 120 . 1 1 18 18 LEU CA C 13 55.260 0.021 . 1 . . . . 169 Leu CA . 17445 1 121 . 1 1 18 18 LEU CB C 13 42.067 0.015 . 1 . . . . 169 Leu CB . 17445 1 122 . 1 1 18 18 LEU N N 15 122.384 0.014 . 1 . . . . 169 Leu N . 17445 1 123 . 1 1 19 19 ASN H H 1 8.255 0.001 . 1 . . . . 170 Asn H . 17445 1 124 . 1 1 19 19 ASN HA H 1 4.496 0.001 . 1 . . . . 170 Asn HA . 17445 1 125 . 1 1 19 19 ASN HB2 H 1 2.652 0.001 . 2 . . . . 170 Asn HB2 . 17445 1 126 . 1 1 19 19 ASN HB3 H 1 2.578 0.001 . 2 . . . . 170 Asn HB3 . 17445 1 127 . 1 1 19 19 ASN C C 13 174.991 0.001 . 1 . . . . 170 Asn C . 17445 1 128 . 1 1 19 19 ASN CA C 13 52.986 0.004 . 1 . . . . 170 Asn CA . 17445 1 129 . 1 1 19 19 ASN CB C 13 38.638 0.002 . 1 . . . . 170 Asn CB . 17445 1 130 . 1 1 19 19 ASN N N 15 118.998 0.008 . 1 . . . . 170 Asn N . 17445 1 131 . 1 1 20 20 ASP H H 1 8.163 0.002 . 1 . . . . 171 Asp H . 17445 1 132 . 1 1 20 20 ASP HA H 1 4.354 0.001 . 1 . . . . 171 Asp HA . 17445 1 133 . 1 1 20 20 ASP HB3 H 1 2.480 0.001 . 2 . . . . 171 Asp HB3 . 17445 1 134 . 1 1 20 20 ASP C C 13 176.519 0.001 . 1 . . . . 171 Asp C . 17445 1 135 . 1 1 20 20 ASP CA C 13 54.457 0.012 . 1 . . . . 171 Asp CA . 17445 1 136 . 1 1 20 20 ASP CB C 13 40.836 0.022 . 1 . . . . 171 Asp CB . 17445 1 137 . 1 1 20 20 ASP N N 15 120.866 0.006 . 1 . . . . 171 Asp N . 17445 1 138 . 1 1 21 21 GLN H H 1 8.165 0.002 . 1 . . . . 172 Gln H . 17445 1 139 . 1 1 21 21 GLN HA H 1 4.021 0.001 . 1 . . . . 172 Gln HA . 17445 1 140 . 1 1 21 21 GLN HB2 H 1 1.958 0.001 . 2 . . . . 172 Gln HB2 . 17445 1 141 . 1 1 21 21 GLN HB3 H 1 1.815 0.001 . 2 . . . . 172 Gln HB3 . 17445 1 142 . 1 1 21 21 GLN C C 13 176.319 0.002 . 1 . . . . 172 Gln C . 17445 1 143 . 1 1 21 21 GLN CA C 13 56.297 0.007 . 1 . . . . 172 Gln CA . 17445 1 144 . 1 1 21 21 GLN CB C 13 28.834 0.015 . 1 . . . . 172 Gln CB . 17445 1 145 . 1 1 21 21 GLN N N 15 120.076 0.037 . 1 . . . . 172 Gln N . 17445 1 146 . 1 1 22 22 ALA H H 1 8.104 0.001 . 1 . . . . 173 Ala H . 17445 1 147 . 1 1 22 22 ALA HA H 1 4.103 0.001 . 1 . . . . 173 Ala HA . 17445 1 148 . 1 1 22 22 ALA HB1 H 1 1.230 0.001 . 1 . . . . 173 Ala HB1 . 17445 1 149 . 1 1 22 22 ALA HB2 H 1 1.230 0.001 . 1 . . . . 173 Ala HB2 . 17445 1 150 . 1 1 22 22 ALA HB3 H 1 1.230 0.001 . 1 . . . . 173 Ala HB3 . 17445 1 151 . 1 1 22 22 ALA C C 13 178.349 0.001 . 1 . . . . 173 Ala C . 17445 1 152 . 1 1 22 22 ALA CA C 13 52.990 0.006 . 1 . . . . 173 Ala CA . 17445 1 153 . 1 1 22 22 ALA CB C 13 18.837 0.014 . 1 . . . . 173 Ala CB . 17445 1 154 . 1 1 22 22 ALA N N 15 123.649 0.011 . 1 . . . . 173 Ala N . 17445 1 155 . 1 1 23 23 THR H H 1 7.881 0.001 . 1 . . . . 174 Thr H . 17445 1 156 . 1 1 23 23 THR HA H 1 4.033 0.008 . 1 . . . . 174 Thr HA . 17445 1 157 . 1 1 23 23 THR C C 13 174.717 0.001 . 1 . . . . 174 Thr C . 17445 1 158 . 1 1 23 23 THR CA C 13 62.280 0.004 . 1 . . . . 174 Thr CA . 17445 1 159 . 1 1 23 23 THR CB C 13 69.360 0.010 . 1 . . . . 174 Thr CB . 17445 1 160 . 1 1 23 23 THR N N 15 113.076 0.007 . 1 . . . . 174 Thr N . 17445 1 161 . 1 1 24 24 LYS H H 1 8.024 0.002 . 1 . . . . 175 Lys H . 17445 1 162 . 1 1 24 24 LYS HA H 1 4.085 0.001 . 1 . . . . 175 Lys HA . 17445 1 163 . 1 1 24 24 LYS HB2 H 1 1.638 0.001 . 2 . . . . 175 Lys HB2 . 17445 1 164 . 1 1 24 24 LYS HB3 H 1 1.563 0.001 . 2 . . . . 175 Lys HB3 . 17445 1 165 . 1 1 24 24 LYS C C 13 176.359 0.001 . 1 . . . . 175 Lys C . 17445 1 166 . 1 1 24 24 LYS CA C 13 56.239 0.003 . 1 . . . . 175 Lys CA . 17445 1 167 . 1 1 24 24 LYS CB C 13 32.784 0.009 . 1 . . . . 175 Lys CB . 17445 1 168 . 1 1 24 24 LYS N N 15 123.767 0.008 . 1 . . . . 175 Lys N . 17445 1 169 . 1 1 25 25 ALA H H 1 8.129 0.002 . 1 . . . . 176 Ala H . 17445 1 170 . 1 1 25 25 ALA HA H 1 4.071 0.001 . 1 . . . . 176 Ala HA . 17445 1 171 . 1 1 25 25 ALA C C 13 177.753 0.001 . 1 . . . . 176 Ala C . 17445 1 172 . 1 1 25 25 ALA CA C 13 52.439 0.001 . 1 . . . . 176 Ala CA . 17445 1 173 . 1 1 25 25 ALA CB C 13 18.926 0.007 . 1 . . . . 176 Ala CB . 17445 1 174 . 1 1 25 25 ALA N N 15 125.112 0.014 . 1 . . . . 176 Ala N . 17445 1 175 . 1 1 26 26 LYS H H 1 8.148 0.002 . 1 . . . . 177 Lys H . 17445 1 176 . 1 1 26 26 LYS HA H 1 4.112 0.001 . 1 . . . . 177 Lys HA . 17445 1 177 . 1 1 26 26 LYS HB2 H 1 1.662 0.001 . 2 . . . . 177 Lys HB2 . 17445 1 178 . 1 1 26 26 LYS HB3 H 1 1.585 0.001 . 2 . . . . 177 Lys HB3 . 17445 1 179 . 1 1 26 26 LYS C C 13 176.711 0.003 . 1 . . . . 177 Lys C . 17445 1 180 . 1 1 26 26 LYS CA C 13 56.257 0.004 . 1 . . . . 177 Lys CA . 17445 1 181 . 1 1 26 26 LYS CB C 13 32.934 0.004 . 1 . . . . 177 Lys CB . 17445 1 182 . 1 1 26 26 LYS N N 15 120.796 0.008 . 1 . . . . 177 Lys N . 17445 1 183 . 1 1 27 27 SER H H 1 8.292 0.001 . 1 . . . . 178 Ser H . 17445 1 184 . 1 1 27 27 SER HA H 1 4.325 0.001 . 1 . . . . 178 Ser HA . 17445 1 185 . 1 1 27 27 SER HB2 H 1 3.758 0.001 . 2 . . . . 178 Ser HB2 . 17445 1 186 . 1 1 27 27 SER HB3 H 1 3.685 0.001 . 2 . . . . 178 Ser HB3 . 17445 1 187 . 1 1 27 27 SER C C 13 174.915 0.001 . 1 . . . . 178 Ser C . 17445 1 188 . 1 1 27 27 SER CA C 13 58.128 0.007 . 1 . . . . 178 Ser CA . 17445 1 189 . 1 1 27 27 SER CB C 13 63.738 0.004 . 1 . . . . 178 Ser CB . 17445 1 190 . 1 1 27 27 SER N N 15 117.086 0.005 . 1 . . . . 178 Ser N . 17445 1 191 . 1 1 28 28 THR H H 1 8.099 0.001 . 1 . . . . 179 Thr H . 17445 1 192 . 1 1 28 28 THR HA H 1 4.135 0.001 . 1 . . . . 179 Thr HA . 17445 1 193 . 1 1 28 28 THR HB H 1 4.083 0.001 . 1 . . . . 179 Thr HB . 17445 1 194 . 1 1 28 28 THR C C 13 174.612 0.001 . 1 . . . . 179 Thr C . 17445 1 195 . 1 1 28 28 THR CA C 13 62.033 0.008 . 1 . . . . 179 Thr CA . 17445 1 196 . 1 1 28 28 THR CB C 13 69.329 0.017 . 1 . . . . 179 Thr CB . 17445 1 197 . 1 1 28 28 THR N N 15 115.684 0.015 . 1 . . . . 179 Thr N . 17445 1 198 . 1 1 29 29 GLN H H 1 8.171 0.002 . 1 . . . . 180 Gln H . 17445 1 199 . 1 1 29 29 GLN HA H 1 4.102 0.001 . 1 . . . . 180 Gln HA . 17445 1 200 . 1 1 29 29 GLN C C 13 175.471 0.003 . 1 . . . . 180 Gln C . 17445 1 201 . 1 1 29 29 GLN CA C 13 55.939 0.001 . 1 . . . . 180 Gln CA . 17445 1 202 . 1 1 29 29 GLN CB C 13 29.333 0.012 . 1 . . . . 180 Gln CB . 17445 1 203 . 1 1 29 29 GLN N N 15 122.058 0.013 . 1 . . . . 180 Gln N . 17445 1 204 . 1 1 30 30 ASP H H 1 8.235 0.001 . 1 . . . . 181 Asp H . 17445 1 205 . 1 1 30 30 ASP HA H 1 4.383 0.001 . 1 . . . . 181 Asp HA . 17445 1 206 . 1 1 30 30 ASP HB2 H 1 2.552 0.001 . 2 . . . . 181 Asp HB2 . 17445 1 207 . 1 1 30 30 ASP HB3 H 1 2.419 0.001 . 2 . . . . 181 Asp HB3 . 17445 1 208 . 1 1 30 30 ASP C C 13 176.359 0.001 . 1 . . . . 181 Asp C . 17445 1 209 . 1 1 30 30 ASP CA C 13 54.302 0.031 . 1 . . . . 181 Asp CA . 17445 1 210 . 1 1 30 30 ASP CB C 13 40.826 0.001 . 1 . . . . 181 Asp CB . 17445 1 211 . 1 1 30 30 ASP N N 15 121.784 0.007 . 1 . . . . 181 Asp N . 17445 1 212 . 1 1 31 31 LEU H H 1 8.172 0.001 . 1 . . . . 182 Leu H . 17445 1 213 . 1 1 31 31 LEU HA H 1 4.167 0.001 . 1 . . . . 182 Leu HA . 17445 1 214 . 1 1 31 31 LEU HB2 H 1 1.479 0.001 . 2 . . . . 182 Leu HB2 . 17445 1 215 . 1 1 31 31 LEU HB3 H 1 1.429 0.001 . 2 . . . . 182 Leu HB3 . 17445 1 216 . 1 1 31 31 LEU C C 13 177.684 0.004 . 1 . . . . 182 Leu C . 17445 1 217 . 1 1 31 31 LEU CA C 13 55.127 0.023 . 1 . . . . 182 Leu CA . 17445 1 218 . 1 1 31 31 LEU CB C 13 41.774 0.002 . 1 . . . . 182 Leu CB . 17445 1 219 . 1 1 31 31 LEU N N 15 123.289 0.005 . 1 . . . . 182 Leu N . 17445 1 220 . 1 1 32 32 SER H H 1 8.206 0.002 . 1 . . . . 183 Ser H . 17445 1 221 . 1 1 32 32 SER HB3 H 1 3.692 0.001 . 2 . . . . 183 Ser HB3 . 17445 1 222 . 1 1 32 32 SER C C 13 174.603 0.003 . 1 . . . . 183 Ser C . 17445 1 223 . 1 1 32 32 SER CA C 13 58.794 0.017 . 1 . . . . 183 Ser CA . 17445 1 224 . 1 1 32 32 SER CB C 13 63.563 0.026 . 1 . . . . 183 Ser CB . 17445 1 225 . 1 1 32 32 SER N N 15 116.387 0.009 . 1 . . . . 183 Ser N . 17445 1 226 . 1 1 33 33 GLU H H 1 8.174 0.002 . 1 . . . . 184 Glu H . 17445 1 227 . 1 1 33 33 GLU HA H 1 4.088 0.001 . 1 . . . . 184 Glu HA . 17445 1 228 . 1 1 33 33 GLU HB2 H 1 1.884 0.001 . 2 . . . . 184 Glu HB2 . 17445 1 229 . 1 1 33 33 GLU HB3 H 1 1.766 0.001 . 2 . . . . 184 Glu HB3 . 17445 1 230 . 1 1 33 33 GLU C C 13 176.844 0.003 . 1 . . . . 184 Glu C . 17445 1 231 . 1 1 33 33 GLU CA C 13 56.650 0.002 . 1 . . . . 184 Glu CA . 17445 1 232 . 1 1 33 33 GLU CB C 13 30.055 0.005 . 1 . . . . 184 Glu CB . 17445 1 233 . 1 1 33 33 GLU N N 15 122.205 0.023 . 1 . . . . 184 Glu N . 17445 1 234 . 1 1 34 34 GLY H H 1 8.209 0.002 . 1 . . . . 185 Gly H . 17445 1 235 . 1 1 34 34 GLY HA3 H 1 3.753 0.001 . 2 . . . . 185 Gly HA3 . 17445 1 236 . 1 1 34 34 GLY C C 13 173.933 0.001 . 1 . . . . 185 Gly C . 17445 1 237 . 1 1 34 34 GLY CA C 13 45.153 0.004 . 1 . . . . 185 Gly CA . 17445 1 238 . 1 1 34 34 GLY N N 15 109.512 0.007 . 1 . . . . 185 Gly N . 17445 1 239 . 1 1 35 35 ILE H H 1 7.819 0.001 . 1 . . . . 186 Ile H . 17445 1 240 . 1 1 35 35 ILE HA H 1 4.024 0.001 . 1 . . . . 186 Ile HA . 17445 1 241 . 1 1 35 35 ILE HB H 1 1.678 0.001 . 1 . . . . 186 Ile HB . 17445 1 242 . 1 1 35 35 ILE C C 13 176.297 0.001 . 1 . . . . 186 Ile C . 17445 1 243 . 1 1 35 35 ILE CA C 13 60.842 0.003 . 1 . . . . 186 Ile CA . 17445 1 244 . 1 1 35 35 ILE CB C 13 38.588 0.013 . 1 . . . . 186 Ile CB . 17445 1 245 . 1 1 35 35 ILE N N 15 119.796 0.006 . 1 . . . . 186 Ile N . 17445 1 246 . 1 1 36 36 SER H H 1 8.310 0.002 . 1 . . . . 187 Ser H . 17445 1 247 . 1 1 36 36 SER HA H 1 4.265 0.001 . 1 . . . . 187 Ser HA . 17445 1 248 . 1 1 36 36 SER HB3 H 1 3.649 0.001 . 2 . . . . 187 Ser HB3 . 17445 1 249 . 1 1 36 36 SER C C 13 174.257 0.001 . 1 . . . . 187 Ser C . 17445 1 250 . 1 1 36 36 SER CA C 13 58.068 0.009 . 1 . . . . 187 Ser CA . 17445 1 251 . 1 1 36 36 SER CB C 13 63.636 0.001 . 1 . . . . 187 Ser CB . 17445 1 252 . 1 1 36 36 SER N N 15 120.096 0.014 . 1 . . . . 187 Ser N . 17445 1 253 . 1 1 37 37 GLN H H 1 8.332 0.002 . 1 . . . . 188 Gln H . 17445 1 254 . 1 1 37 37 GLN HA H 1 4.157 0.001 . 1 . . . . 188 Gln HA . 17445 1 255 . 1 1 37 37 GLN HB3 H 1 1.914 0.001 . 2 . . . . 188 Gln HB3 . 17445 1 256 . 1 1 37 37 GLN C C 13 175.624 0.005 . 1 . . . . 188 Gln C . 17445 1 257 . 1 1 37 37 GLN CA C 13 55.596 0.010 . 1 . . . . 188 Gln CA . 17445 1 258 . 1 1 37 37 GLN CB C 13 29.335 0.015 . 1 . . . . 188 Gln CB . 17445 1 259 . 1 1 37 37 GLN N N 15 122.899 0.006 . 1 . . . . 188 Gln N . 17445 1 260 . 1 1 38 38 LYS H H 1 8.273 0.001 . 1 . . . . 189 Lys H . 17445 1 261 . 1 1 38 38 LYS HA H 1 4.142 0.001 . 1 . . . . 189 Lys HA . 17445 1 262 . 1 1 38 38 LYS HB2 H 1 1.623 0.001 . 2 . . . . 189 Lys HB2 . 17445 1 263 . 1 1 38 38 LYS HB3 H 1 1.541 0.001 . 2 . . . . 189 Lys HB3 . 17445 1 264 . 1 1 38 38 LYS C C 13 176.072 0.007 . 1 . . . . 189 Lys C . 17445 1 265 . 1 1 38 38 LYS CA C 13 55.914 0.032 . 1 . . . . 189 Lys CA . 17445 1 266 . 1 1 38 38 LYS CB C 13 33.054 0.011 . 1 . . . . 189 Lys CB . 17445 1 267 . 1 1 38 38 LYS N N 15 123.078 0.004 . 1 . . . . 189 Lys N . 17445 1 268 . 1 1 39 39 ASP H H 1 8.333 0.002 . 1 . . . . 190 Asp H . 17445 1 269 . 1 1 39 39 ASP HA H 1 4.400 0.001 . 1 . . . . 190 Asp HA . 17445 1 270 . 1 1 39 39 ASP HB2 H 1 2.512 0.001 . 2 . . . . 190 Asp HB2 . 17445 1 271 . 1 1 39 39 ASP HB3 H 1 2.428 0.001 . 2 . . . . 190 Asp HB3 . 17445 1 272 . 1 1 39 39 ASP C C 13 176.533 0.001 . 1 . . . . 190 Asp C . 17445 1 273 . 1 1 39 39 ASP CA C 13 54.436 0.001 . 1 . . . . 190 Asp CA . 17445 1 274 . 1 1 39 39 ASP CB C 13 41.102 0.001 . 1 . . . . 190 Asp CB . 17445 1 275 . 1 1 39 39 ASP N N 15 122.248 0.029 . 1 . . . . 190 Asp N . 17445 1 276 . 1 1 40 40 GLY H H 1 8.257 0.001 . 1 . . . . 191 Gly H . 17445 1 277 . 1 1 40 40 GLY HA2 H 1 3.797 0.001 . 2 . . . . 191 Gly HA2 . 17445 1 278 . 1 1 40 40 GLY HA3 H 1 3.744 0.001 . 2 . . . . 191 Gly HA3 . 17445 1 279 . 1 1 40 40 GLY C C 13 173.847 0.001 . 1 . . . . 191 Gly C . 17445 1 280 . 1 1 40 40 GLY CA C 13 45.203 0.007 . 1 . . . . 191 Gly CA . 17445 1 281 . 1 1 40 40 GLY N N 15 109.634 0.005 . 1 . . . . 191 Gly N . 17445 1 282 . 1 1 41 41 ASP H H 1 8.096 0.003 . 1 . . . . 192 Asp H . 17445 1 283 . 1 1 41 41 ASP HA H 1 4.421 0.001 . 1 . . . . 192 Asp HA . 17445 1 284 . 1 1 41 41 ASP HB2 H 1 2.502 0.001 . 2 . . . . 192 Asp HB2 . 17445 1 285 . 1 1 41 41 ASP HB3 H 1 2.408 0.001 . 2 . . . . 192 Asp HB3 . 17445 1 286 . 1 1 41 41 ASP C C 13 176.222 0.012 . 1 . . . . 192 Asp C . 17445 1 287 . 1 1 41 41 ASP CA C 13 54.254 0.004 . 1 . . . . 192 Asp CA . 17445 1 288 . 1 1 41 41 ASP CB C 13 41.063 0.015 . 1 . . . . 192 Asp CB . 17445 1 289 . 1 1 41 41 ASP N N 15 120.330 0.023 . 1 . . . . 192 Asp N . 17445 1 290 . 1 1 42 42 GLU H H 1 8.287 0.001 . 1 . . . . 193 Glu H . 17445 1 291 . 1 1 42 42 GLU HA H 1 4.074 0.001 . 1 . . . . 193 Glu HA . 17445 1 292 . 1 1 42 42 GLU C C 13 176.275 0.003 . 1 . . . . 193 Glu C . 17445 1 293 . 1 1 42 42 GLU CA C 13 56.568 0.001 . 1 . . . . 193 Glu CA . 17445 1 294 . 1 1 42 42 GLU CB C 13 30.017 0.001 . 1 . . . . 193 Glu CB . 17445 1 295 . 1 1 42 42 GLU N N 15 121.064 0.011 . 1 . . . . 193 Glu N . 17445 1 296 . 1 1 43 43 VAL H H 1 8.101 0.001 . 1 . . . . 194 Val H . 17445 1 297 . 1 1 43 43 VAL HA H 1 3.901 0.001 . 1 . . . . 194 Val HA . 17445 1 298 . 1 1 43 43 VAL C C 13 176.022 0.001 . 1 . . . . 194 Val C . 17445 1 299 . 1 1 43 43 VAL CA C 13 62.193 0.008 . 1 . . . . 194 Val CA . 17445 1 300 . 1 1 43 43 VAL CB C 13 32.519 0.007 . 1 . . . . 194 Val CB . 17445 1 301 . 1 1 43 43 VAL N N 15 121.729 0.022 . 1 . . . . 194 Val N . 17445 1 302 . 1 1 44 44 CYS H H 1 8.435 0.001 . 1 . . . . 195 Cys H . 17445 1 303 . 1 1 44 44 CYS HA H 1 4.532 0.001 . 1 . . . . 195 Cys HA . 17445 1 304 . 1 1 44 44 CYS HB2 H 1 2.967 0.001 . 2 . . . . 195 Cys HB2 . 17445 1 305 . 1 1 44 44 CYS HB3 H 1 2.775 0.001 . 2 . . . . 195 Cys HB3 . 17445 1 306 . 1 1 44 44 CYS C C 13 174.699 0.003 . 1 . . . . 195 Cys C . 17445 1 307 . 1 1 44 44 CYS CA C 13 55.096 0.010 . 1 . . . . 195 Cys CA . 17445 1 308 . 1 1 44 44 CYS CB C 13 40.755 0.014 . 1 . . . . 195 Cys CB . 17445 1 309 . 1 1 44 44 CYS N N 15 123.579 0.008 . 1 . . . . 195 Cys N . 17445 1 310 . 1 1 45 45 GLU H H 1 8.499 0.002 . 1 . . . . 196 Glu H . 17445 1 311 . 1 1 45 45 GLU HA H 1 4.120 0.001 . 1 . . . . 196 Glu HA . 17445 1 312 . 1 1 45 45 GLU C C 13 176.111 0.001 . 1 . . . . 196 Glu C . 17445 1 313 . 1 1 45 45 GLU CA C 13 56.542 0.001 . 1 . . . . 196 Glu CA . 17445 1 314 . 1 1 45 45 GLU CB C 13 30.285 0.001 . 1 . . . . 196 Glu CB . 17445 1 315 . 1 1 45 45 GLU N N 15 123.866 0.013 . 1 . . . . 196 Glu N . 17445 1 316 . 1 1 46 46 SER H H 1 8.240 0.001 . 1 . . . . 197 Ser H . 17445 1 317 . 1 1 46 46 SER HA H 1 4.235 0.001 . 1 . . . . 197 Ser HA . 17445 1 318 . 1 1 46 46 SER HB2 H 1 3.679 0.001 . 2 . . . . 197 Ser HB2 . 17445 1 319 . 1 1 46 46 SER HB3 H 1 3.639 0.001 . 2 . . . . 197 Ser HB3 . 17445 1 320 . 1 1 46 46 SER C C 13 174.210 0.037 . 1 . . . . 197 Ser C . 17445 1 321 . 1 1 46 46 SER CA C 13 58.229 0.001 . 1 . . . . 197 Ser CA . 17445 1 322 . 1 1 46 46 SER CB C 13 63.601 0.022 . 1 . . . . 197 Ser CB . 17445 1 323 . 1 1 46 46 SER N N 15 116.903 0.014 . 1 . . . . 197 Ser N . 17445 1 324 . 1 1 47 47 ASN H H 1 8.350 0.002 . 1 . . . . 198 Asn H . 17445 1 325 . 1 1 47 47 ASN HA H 1 4.554 0.001 . 1 . . . . 198 Asn HA . 17445 1 326 . 1 1 47 47 ASN HB2 H 1 2.648 0.001 . 2 . . . . 198 Asn HB2 . 17445 1 327 . 1 1 47 47 ASN HB3 H 1 2.586 0.001 . 2 . . . . 198 Asn HB3 . 17445 1 328 . 1 1 47 47 ASN C C 13 175.199 0.002 . 1 . . . . 198 Asn C . 17445 1 329 . 1 1 47 47 ASN CA C 13 53.095 0.019 . 1 . . . . 198 Asn CA . 17445 1 330 . 1 1 47 47 ASN CB C 13 38.648 0.002 . 1 . . . . 198 Asn CB . 17445 1 331 . 1 1 47 47 ASN N N 15 121.023 0.007 . 1 . . . . 198 Asn N . 17445 1 332 . 1 1 48 48 VAL H H 1 7.940 0.003 . 1 . . . . 199 Val H . 17445 1 333 . 1 1 48 48 VAL HA H 1 3.939 0.001 . 1 . . . . 199 Val HA . 17445 1 334 . 1 1 48 48 VAL HB H 1 1.910 0.001 . 1 . . . . 199 Val HB . 17445 1 335 . 1 1 48 48 VAL C C 13 176.292 0.004 . 1 . . . . 199 Val C . 17445 1 336 . 1 1 48 48 VAL CA C 13 62.374 0.011 . 1 . . . . 199 Val CA . 17445 1 337 . 1 1 48 48 VAL CB C 13 32.437 0.011 . 1 . . . . 199 Val CB . 17445 1 338 . 1 1 48 48 VAL N N 15 119.954 0.012 . 1 . . . . 199 Val N . 17445 1 339 . 1 1 49 49 SER H H 1 8.268 0.002 . 1 . . . . 200 Ser H . 17445 1 340 . 1 1 49 49 SER HA H 1 4.243 0.001 . 1 . . . . 200 Ser HA . 17445 1 341 . 1 1 49 49 SER HB3 H 1 3.662 0.001 . 2 . . . . 200 Ser HB3 . 17445 1 342 . 1 1 49 49 SER C C 13 174.338 0.002 . 1 . . . . 200 Ser C . 17445 1 343 . 1 1 49 49 SER CA C 13 58.298 0.008 . 1 . . . . 200 Ser CA . 17445 1 344 . 1 1 49 49 SER CB C 13 63.517 0.013 . 1 . . . . 200 Ser CB . 17445 1 345 . 1 1 49 49 SER N N 15 118.996 0.009 . 1 . . . . 200 Ser N . 17445 1 346 . 1 1 50 50 ASN H H 1 8.295 0.003 . 1 . . . . 201 Asn H . 17445 1 347 . 1 1 50 50 ASN HA H 1 4.560 0.001 . 1 . . . . 201 Asn HA . 17445 1 348 . 1 1 50 50 ASN HB2 H 1 2.649 0.001 . 2 . . . . 201 Asn HB2 . 17445 1 349 . 1 1 50 50 ASN HB3 H 1 2.593 0.001 . 2 . . . . 201 Asn HB3 . 17445 1 350 . 1 1 50 50 ASN C C 13 175.131 0.002 . 1 . . . . 201 Asn C . 17445 1 351 . 1 1 50 50 ASN CA C 13 53.087 0.003 . 1 . . . . 201 Asn CA . 17445 1 352 . 1 1 50 50 ASN CB C 13 38.738 0.001 . 1 . . . . 201 Asn CB . 17445 1 353 . 1 1 50 50 ASN N N 15 120.998 0.019 . 1 . . . . 201 Asn N . 17445 1 354 . 1 1 51 51 SER H H 1 8.116 0.002 . 1 . . . . 202 Ser H . 17445 1 355 . 1 1 51 51 SER HA H 1 4.257 0.001 . 1 . . . . 202 Ser HA . 17445 1 356 . 1 1 51 51 SER HB3 H 1 3.658 0.001 . 2 . . . . 202 Ser HB3 . 17445 1 357 . 1 1 51 51 SER C C 13 174.493 0.001 . 1 . . . . 202 Ser C . 17445 1 358 . 1 1 51 51 SER CA C 13 58.378 0.003 . 1 . . . . 202 Ser CA . 17445 1 359 . 1 1 51 51 SER CB C 13 63.559 0.001 . 1 . . . . 202 Ser CB . 17445 1 360 . 1 1 51 51 SER N N 15 115.975 0.011 . 1 . . . . 202 Ser N . 17445 1 361 . 1 1 52 52 ILE H H 1 8.070 0.001 . 1 . . . . 203 Ile H . 17445 1 362 . 1 1 52 52 ILE HA H 1 4.061 0.001 . 1 . . . . 203 Ile HA . 17445 1 363 . 1 1 52 52 ILE HB H 1 1.722 0.001 . 1 . . . . 203 Ile HB . 17445 1 364 . 1 1 52 52 ILE C C 13 176.656 0.003 . 1 . . . . 203 Ile C . 17445 1 365 . 1 1 52 52 ILE CA C 13 61.277 0.013 . 1 . . . . 203 Ile CA . 17445 1 366 . 1 1 52 52 ILE CB C 13 38.404 0.023 . 1 . . . . 203 Ile CB . 17445 1 367 . 1 1 52 52 ILE N N 15 122.539 0.018 . 1 . . . . 203 Ile N . 17445 1 368 . 1 1 53 53 THR H H 1 8.113 0.002 . 1 . . . . 204 Thr H . 17445 1 369 . 1 1 53 53 THR HA H 1 4.210 0.001 . 1 . . . . 204 Thr HA . 17445 1 370 . 1 1 53 53 THR HB H 1 4.055 0.001 . 1 . . . . 204 Thr HB . 17445 1 371 . 1 1 53 53 THR C C 13 174.562 0.001 . 1 . . . . 204 Thr C . 17445 1 372 . 1 1 53 53 THR CA C 13 61.572 0.006 . 1 . . . . 204 Thr CA . 17445 1 373 . 1 1 53 53 THR CB C 13 69.559 0.001 . 1 . . . . 204 Thr CB . 17445 1 374 . 1 1 53 53 THR N N 15 117.665 0.007 . 1 . . . . 204 Thr N . 17445 1 375 . 1 1 54 54 SER H H 1 8.187 0.002 . 1 . . . . 205 Ser H . 17445 1 376 . 1 1 54 54 SER HA H 1 4.260 0.001 . 1 . . . . 205 Ser HA . 17445 1 377 . 1 1 54 54 SER HB2 H 1 3.725 0.001 . 2 . . . . 205 Ser HB2 . 17445 1 378 . 1 1 54 54 SER HB3 H 1 3.671 0.001 . 2 . . . . 205 Ser HB3 . 17445 1 379 . 1 1 54 54 SER C C 13 174.922 0.001 . 1 . . . . 205 Ser C . 17445 1 380 . 1 1 54 54 SER CA C 13 58.387 0.005 . 1 . . . . 205 Ser CA . 17445 1 381 . 1 1 54 54 SER CB C 13 63.675 0.026 . 1 . . . . 205 Ser CB . 17445 1 382 . 1 1 54 54 SER N N 15 118.091 0.019 . 1 . . . . 205 Ser N . 17445 1 383 . 1 1 55 55 GLY H H 1 8.263 0.001 . 1 . . . . 206 Gly H . 17445 1 384 . 1 1 55 55 GLY HA3 H 1 3.778 0.001 . 2 . . . . 206 Gly HA3 . 17445 1 385 . 1 1 55 55 GLY C C 13 173.927 0.002 . 1 . . . . 206 Gly C . 17445 1 386 . 1 1 55 55 GLY CA C 13 45.075 0.006 . 1 . . . . 206 Gly CA . 17445 1 387 . 1 1 55 55 GLY N N 15 110.816 0.005 . 1 . . . . 206 Gly N . 17445 1 388 . 1 1 56 56 GLU H H 1 8.099 0.002 . 1 . . . . 207 Glu H . 17445 1 389 . 1 1 56 56 GLU HA H 1 4.055 0.001 . 1 . . . . 207 Glu HA . 17445 1 390 . 1 1 56 56 GLU HB2 H 1 1.715 0.001 . 2 . . . . 207 Glu HB2 . 17445 1 391 . 1 1 56 56 GLU HB3 H 1 1.818 0.001 . 2 . . . . 207 Glu HB3 . 17445 1 392 . 1 1 56 56 GLU C C 13 176.303 0.002 . 1 . . . . 207 Glu C . 17445 1 393 . 1 1 56 56 GLU CA C 13 56.291 0.002 . 1 . . . . 207 Glu CA . 17445 1 394 . 1 1 56 56 GLU CB C 13 30.193 0.010 . 1 . . . . 207 Glu CB . 17445 1 395 . 1 1 56 56 GLU N N 15 120.510 0.015 . 1 . . . . 207 Glu N . 17445 1 396 . 1 1 57 57 LYS H H 1 8.232 0.002 . 1 . . . . 208 Lys H . 17445 1 397 . 1 1 57 57 LYS HA H 1 4.119 0.001 . 1 . . . . 208 Lys HA . 17445 1 398 . 1 1 57 57 LYS HB2 H 1 1.587 0.001 . 2 . . . . 208 Lys HB2 . 17445 1 399 . 1 1 57 57 LYS HB3 H 1 1.546 0.001 . 2 . . . . 208 Lys HB3 . 17445 1 400 . 1 1 57 57 LYS C C 13 176.148 0.001 . 1 . . . . 208 Lys C . 17445 1 401 . 1 1 57 57 LYS CA C 13 55.944 0.074 . 1 . . . . 208 Lys CA . 17445 1 402 . 1 1 57 57 LYS CB C 13 32.814 0.003 . 1 . . . . 208 Lys CB . 17445 1 403 . 1 1 57 57 LYS N N 15 122.765 0.024 . 1 . . . . 208 Lys N . 17445 1 404 . 1 1 58 58 VAL H H 1 8.113 0.001 . 1 . . . . 209 Val H . 17445 1 405 . 1 1 58 58 VAL HA H 1 3.877 0.001 . 1 . . . . 209 Val HA . 17445 1 406 . 1 1 58 58 VAL HB H 1 1.809 0.001 . 1 . . . . 209 Val HB . 17445 1 407 . 1 1 58 58 VAL C C 13 175.954 0.003 . 1 . . . . 209 Val C . 17445 1 408 . 1 1 58 58 VAL CA C 13 62.150 0.006 . 1 . . . . 209 Val CA . 17445 1 409 . 1 1 58 58 VAL CB C 13 32.568 0.054 . 1 . . . . 209 Val CB . 17445 1 410 . 1 1 58 58 VAL N N 15 123.069 0.013 . 1 . . . . 209 Val N . 17445 1 411 . 1 1 59 59 ILE H H 1 8.234 0.002 . 1 . . . . 210 Ile H . 17445 1 412 . 1 1 59 59 ILE HA H 1 3.997 0.001 . 1 . . . . 210 Ile HA . 17445 1 413 . 1 1 59 59 ILE HB H 1 1.650 0.001 . 1 . . . . 210 Ile HB . 17445 1 414 . 1 1 59 59 ILE C C 13 175.947 0.001 . 1 . . . . 210 Ile C . 17445 1 415 . 1 1 59 59 ILE CA C 13 60.627 0.003 . 1 . . . . 210 Ile CA . 17445 1 416 . 1 1 59 59 ILE CB C 13 38.378 0.011 . 1 . . . . 210 Ile CB . 17445 1 417 . 1 1 59 59 ILE N N 15 126.121 0.012 . 1 . . . . 210 Ile N . 17445 1 418 . 1 1 60 60 SER H H 1 8.273 0.002 . 1 . . . . 211 Ser H . 17445 1 419 . 1 1 60 60 SER HA H 1 4.312 0.001 . 1 . . . . 211 Ser HA . 17445 1 420 . 1 1 60 60 SER HB3 H 1 3.628 0.001 . 2 . . . . 211 Ser HB3 . 17445 1 421 . 1 1 60 60 SER C C 13 174.327 0.001 . 1 . . . . 211 Ser C . 17445 1 422 . 1 1 60 60 SER CA C 13 57.792 0.013 . 1 . . . . 211 Ser CA . 17445 1 423 . 1 1 60 60 SER CB C 13 63.628 0.006 . 1 . . . . 211 Ser CB . 17445 1 424 . 1 1 60 60 SER N N 15 120.796 0.010 . 1 . . . . 211 Ser N . 17445 1 425 . 1 1 61 61 VAL H H 1 8.107 0.002 . 1 . . . . 212 Val H . 17445 1 426 . 1 1 61 61 VAL HA H 1 3.935 0.001 . 1 . . . . 212 Val HA . 17445 1 427 . 1 1 61 61 VAL HB H 1 1.885 0.001 . 1 . . . . 212 Val HB . 17445 1 428 . 1 1 61 61 VAL C C 13 175.950 0.001 . 1 . . . . 212 Val C . 17445 1 429 . 1 1 61 61 VAL CA C 13 62.106 0.001 . 1 . . . . 212 Val CA . 17445 1 430 . 1 1 61 61 VAL CB C 13 32.587 0.008 . 1 . . . . 212 Val CB . 17445 1 431 . 1 1 61 61 VAL N N 15 122.350 0.008 . 1 . . . . 212 Val N . 17445 1 432 . 1 1 62 62 GLU H H 1 8.329 0.001 . 1 . . . . 213 Glu H . 17445 1 433 . 1 1 62 62 GLU HA H 1 4.075 0.001 . 1 . . . . 213 Glu HA . 17445 1 434 . 1 1 62 62 GLU HB2 H 1 1.823 0.001 . 2 . . . . 213 Glu HB2 . 17445 1 435 . 1 1 62 62 GLU HB3 H 1 1.717 0.001 . 2 . . . . 213 Glu HB3 . 17445 1 436 . 1 1 62 62 GLU C C 13 176.287 0.002 . 1 . . . . 213 Glu C . 17445 1 437 . 1 1 62 62 GLU CA C 13 56.248 0.006 . 1 . . . . 213 Glu CA . 17445 1 438 . 1 1 62 62 GLU CB C 13 29.916 0.013 . 1 . . . . 213 Glu CB . 17445 1 439 . 1 1 62 62 GLU N N 15 124.387 0.009 . 1 . . . . 213 Glu N . 17445 1 440 . 1 1 63 63 LEU H H 1 8.178 0.001 . 1 . . . . 214 Leu H . 17445 1 441 . 1 1 63 63 LEU HA H 1 4.131 0.001 . 1 . . . . 214 Leu HA . 17445 1 442 . 1 1 63 63 LEU HB2 H 1 1.371 0.001 . 2 . . . . 214 Leu HB2 . 17445 1 443 . 1 1 63 63 LEU HB3 H 1 1.479 0.001 . 2 . . . . 214 Leu HB3 . 17445 1 444 . 1 1 63 63 LEU C C 13 177.853 0.002 . 1 . . . . 214 Leu C . 17445 1 445 . 1 1 63 63 LEU CA C 13 55.148 0.006 . 1 . . . . 214 Leu CA . 17445 1 446 . 1 1 63 63 LEU CB C 13 42.261 0.015 . 1 . . . . 214 Leu CB . 17445 1 447 . 1 1 63 63 LEU N N 15 123.547 0.025 . 1 . . . . 214 Leu N . 17445 1 448 . 1 1 64 64 GLY H H 1 8.295 0.002 . 1 . . . . 215 Gly H . 17445 1 449 . 1 1 64 64 GLY HA2 H 1 3.759 0.001 . 2 . . . . 215 Gly HA2 . 17445 1 450 . 1 1 64 64 GLY HA3 H 1 3.705 0.001 . 2 . . . . 215 Gly HA3 . 17445 1 451 . 1 1 64 64 GLY C C 13 174.138 0.003 . 1 . . . . 215 Gly C . 17445 1 452 . 1 1 64 64 GLY CA C 13 45.215 0.008 . 1 . . . . 215 Gly CA . 17445 1 453 . 1 1 64 64 GLY N N 15 109.166 0.010 . 1 . . . . 215 Gly N . 17445 1 454 . 1 1 65 65 LEU H H 1 7.939 0.001 . 1 . . . . 216 Leu H . 17445 1 455 . 1 1 65 65 LEU HA H 1 4.128 0.001 . 1 . . . . 216 Leu HA . 17445 1 456 . 1 1 65 65 LEU HB2 H 1 1.429 0.001 . 2 . . . . 216 Leu HB2 . 17445 1 457 . 1 1 65 65 LEU HB3 H 1 1.347 0.001 . 2 . . . . 216 Leu HB3 . 17445 1 458 . 1 1 65 65 LEU C C 13 177.161 0.002 . 1 . . . . 216 Leu C . 17445 1 459 . 1 1 65 65 LEU CA C 13 54.981 0.004 . 1 . . . . 216 Leu CA . 17445 1 460 . 1 1 65 65 LEU CB C 13 42.215 0.011 . 1 . . . . 216 Leu CB . 17445 1 461 . 1 1 65 65 LEU N N 15 121.136 0.005 . 1 . . . . 216 Leu N . 17445 1 462 . 1 1 66 66 ASP H H 1 8.268 0.001 . 1 . . . . 217 Asp H . 17445 1 463 . 1 1 66 66 ASP HA H 1 4.404 0.001 . 1 . . . . 217 Asp HA . 17445 1 464 . 1 1 66 66 ASP HB2 H 1 2.527 0.001 . 2 . . . . 217 Asp HB2 . 17445 1 465 . 1 1 66 66 ASP HB3 H 1 2.430 0.001 . 2 . . . . 217 Asp HB3 . 17445 1 466 . 1 1 66 66 ASP C C 13 175.986 0.001 . 1 . . . . 217 Asp C . 17445 1 467 . 1 1 66 66 ASP CA C 13 53.892 0.008 . 1 . . . . 217 Asp CA . 17445 1 468 . 1 1 66 66 ASP CB C 13 40.861 0.004 . 1 . . . . 217 Asp CB . 17445 1 469 . 1 1 66 66 ASP N N 15 120.588 0.020 . 1 . . . . 217 Asp N . 17445 1 470 . 1 1 67 67 ASN H H 1 8.226 0.001 . 1 . . . . 218 Asn H . 17445 1 471 . 1 1 67 67 ASN HA H 1 4.462 0.001 . 1 . . . . 218 Asn HA . 17445 1 472 . 1 1 67 67 ASN HB3 H 1 2.610 0.001 . 2 . . . . 218 Asn HB3 . 17445 1 473 . 1 1 67 67 ASN C C 13 175.906 0.001 . 1 . . . . 218 Asn C . 17445 1 474 . 1 1 67 67 ASN CA C 13 53.176 0.001 . 1 . . . . 218 Asn CA . 17445 1 475 . 1 1 67 67 ASN CB C 13 38.515 0.002 . 1 . . . . 218 Asn CB . 17445 1 476 . 1 1 67 67 ASN N N 15 119.594 0.005 . 1 . . . . 218 Asn N . 17445 1 477 . 1 1 68 68 GLY H H 1 8.318 0.001 . 1 . . . . 219 Gly H . 17445 1 478 . 1 1 68 68 GLY HA3 H 1 3.705 0.001 . 2 . . . . 219 Gly HA3 . 17445 1 479 . 1 1 68 68 GLY C C 13 174.214 0.002 . 1 . . . . 219 Gly C . 17445 1 480 . 1 1 68 68 GLY CA C 13 45.436 0.003 . 1 . . . . 219 Gly CA . 17445 1 481 . 1 1 68 68 GLY N N 15 108.367 0.011 . 1 . . . . 219 Gly N . 17445 1 482 . 1 1 69 69 HIS H H 1 8.023 0.001 . 1 . . . . 220 His H . 17445 1 483 . 1 1 69 69 HIS HA H 1 4.494 0.001 . 1 . . . . 220 His HA . 17445 1 484 . 1 1 69 69 HIS HB2 H 1 3.038 0.001 . 2 . . . . 220 His HB2 . 17445 1 485 . 1 1 69 69 HIS HB3 H 1 2.935 0.001 . 2 . . . . 220 His HB3 . 17445 1 486 . 1 1 69 69 HIS C C 13 174.920 0.002 . 1 . . . . 220 His C . 17445 1 487 . 1 1 69 69 HIS CA C 13 55.664 0.001 . 1 . . . . 220 His CA . 17445 1 488 . 1 1 69 69 HIS CB C 13 29.619 0.008 . 1 . . . . 220 His CB . 17445 1 489 . 1 1 69 69 HIS N N 15 118.416 0.032 . 1 . . . . 220 His N . 17445 1 490 . 1 1 70 70 SER H H 1 8.197 0.003 . 1 . . . . 221 Ser H . 17445 1 491 . 1 1 70 70 SER HA H 1 4.228 0.001 . 1 . . . . 221 Ser HA . 17445 1 492 . 1 1 70 70 SER HB3 H 1 3.655 0.001 . 2 . . . . 221 Ser HB3 . 17445 1 493 . 1 1 70 70 SER C C 13 174.082 0.001 . 1 . . . . 221 Ser C . 17445 1 494 . 1 1 70 70 SER CA C 13 58.244 0.001 . 1 . . . . 221 Ser CA . 17445 1 495 . 1 1 70 70 SER CB C 13 63.609 0.001 . 1 . . . . 221 Ser CB . 17445 1 496 . 1 1 70 70 SER N N 15 116.869 0.008 . 1 . . . . 221 Ser N . 17445 1 497 . 1 1 71 71 ALA H H 1 8.259 0.002 . 1 . . . . 222 Ala H . 17445 1 498 . 1 1 71 71 ALA HA H 1 4.149 0.001 . 1 . . . . 222 Ala HA . 17445 1 499 . 1 1 71 71 ALA HB1 H 1 1.184 0.001 . 1 . . . . 222 Ala HB1 . 17445 1 500 . 1 1 71 71 ALA HB2 H 1 1.184 0.001 . 1 . . . . 222 Ala HB2 . 17445 1 501 . 1 1 71 71 ALA HB3 H 1 1.184 0.001 . 1 . . . . 222 Ala HB3 . 17445 1 502 . 1 1 71 71 ALA C C 13 177.584 0.001 . 1 . . . . 222 Ala C . 17445 1 503 . 1 1 71 71 ALA CA C 13 52.371 0.022 . 1 . . . . 222 Ala CA . 17445 1 504 . 1 1 71 71 ALA CB C 13 19.017 0.005 . 1 . . . . 222 Ala CB . 17445 1 505 . 1 1 71 71 ALA N N 15 126.049 0.004 . 1 . . . . 222 Ala N . 17445 1 506 . 1 1 72 72 ILE H H 1 7.941 0.001 . 1 . . . . 223 Ile H . 17445 1 507 . 1 1 72 72 ILE HA H 1 3.929 0.001 . 1 . . . . 223 Ile HA . 17445 1 508 . 1 1 72 72 ILE HB H 1 1.654 0.001 . 1 . . . . 223 Ile HB . 17445 1 509 . 1 1 72 72 ILE C C 13 176.207 0.008 . 1 . . . . 223 Ile C . 17445 1 510 . 1 1 72 72 ILE CA C 13 61.028 0.020 . 1 . . . . 223 Ile CA . 17445 1 511 . 1 1 72 72 ILE CB C 13 38.469 0.023 . 1 . . . . 223 Ile CB . 17445 1 512 . 1 1 72 72 ILE N N 15 119.939 0.007 . 1 . . . . 223 Ile N . 17445 1 513 . 1 1 73 73 GLN H H 1 8.359 0.003 . 1 . . . . 224 Gln H . 17445 1 514 . 1 1 73 73 GLN HA H 1 4.237 0.001 . 1 . . . . 224 Gln HA . 17445 1 515 . 1 1 73 73 GLN HB2 H 1 1.922 0.001 . 2 . . . . 224 Gln HB2 . 17445 1 516 . 1 1 73 73 GLN HB3 H 1 1.797 0.001 . 2 . . . . 224 Gln HB3 . 17445 1 517 . 1 1 73 73 GLN C C 13 176.010 0.001 . 1 . . . . 224 Gln C . 17445 1 518 . 1 1 73 73 GLN CA C 13 55.479 0.003 . 1 . . . . 224 Gln CA . 17445 1 519 . 1 1 73 73 GLN CB C 13 29.228 0.021 . 1 . . . . 224 Gln CB . 17445 1 520 . 1 1 73 73 GLN N N 15 124.895 0.015 . 1 . . . . 224 Gln N . 17445 1 521 . 1 1 74 74 THR H H 1 8.144 0.001 . 1 . . . . 225 Thr H . 17445 1 522 . 1 1 74 74 THR HA H 1 4.136 0.001 . 1 . . . . 225 Thr HA . 17445 1 523 . 1 1 74 74 THR HB H 1 4.049 0.001 . 1 . . . . 225 Thr HB . 17445 1 524 . 1 1 74 74 THR C C 13 174.990 0.001 . 1 . . . . 225 Thr C . 17445 1 525 . 1 1 74 74 THR CA C 13 61.919 0.006 . 1 . . . . 225 Thr CA . 17445 1 526 . 1 1 74 74 THR CB C 13 69.603 0.001 . 1 . . . . 225 Thr CB . 17445 1 527 . 1 1 74 74 THR N N 15 115.785 0.007 . 1 . . . . 225 Thr N . 17445 1 528 . 1 1 75 75 GLY H H 1 8.331 0.001 . 1 . . . . 226 Gly H . 17445 1 529 . 1 1 75 75 GLY HA3 H 1 3.819 0.001 . 2 . . . . 226 Gly HA3 . 17445 1 530 . 1 1 75 75 GLY C C 13 174.044 0.001 . 1 . . . . 226 Gly C . 17445 1 531 . 1 1 75 75 GLY CA C 13 45.147 0.006 . 1 . . . . 226 Gly CA . 17445 1 532 . 1 1 75 75 GLY N N 15 111.134 0.004 . 1 . . . . 226 Gly N . 17445 1 533 . 1 1 76 76 THR H H 1 7.926 0.001 . 1 . . . . 227 Thr H . 17445 1 534 . 1 1 76 76 THR HA H 1 4.087 0.001 . 1 . . . . 227 Thr HA . 17445 1 535 . 1 1 76 76 THR HB H 1 3.947 0.001 . 1 . . . . 227 Thr HB . 17445 1 536 . 1 1 76 76 THR C C 13 174.087 0.003 . 1 . . . . 227 Thr C . 17445 1 537 . 1 1 76 76 THR CA C 13 61.887 0.007 . 1 . . . . 227 Thr CA . 17445 1 538 . 1 1 76 76 THR CB C 13 69.609 0.001 . 1 . . . . 227 Thr CB . 17445 1 539 . 1 1 76 76 THR N N 15 114.431 0.004 . 1 . . . . 227 Thr N . 17445 1 540 . 1 1 77 77 LEU H H 1 8.138 0.001 . 1 . . . . 228 Leu H . 17445 1 541 . 1 1 77 77 LEU HA H 1 4.170 0.001 . 1 . . . . 228 Leu HA . 17445 1 542 . 1 1 77 77 LEU HB3 H 1 1.365 0.001 . 2 . . . . 228 Leu HB3 . 17445 1 543 . 1 1 77 77 LEU C C 13 176.604 0.003 . 1 . . . . 228 Leu C . 17445 1 544 . 1 1 77 77 LEU CA C 13 54.998 0.003 . 1 . . . . 228 Leu CA . 17445 1 545 . 1 1 77 77 LEU CB C 13 42.202 0.009 . 1 . . . . 228 Leu CB . 17445 1 546 . 1 1 77 77 LEU N N 15 125.406 0.008 . 1 . . . . 228 Leu N . 17445 1 547 . 1 1 78 78 ILE H H 1 8.104 0.002 . 1 . . . . 229 Ile H . 17445 1 548 . 1 1 78 78 ILE HA H 1 3.936 0.001 . 1 . . . . 229 Ile HA . 17445 1 549 . 1 1 78 78 ILE HB H 1 1.635 0.001 . 1 . . . . 229 Ile HB . 17445 1 550 . 1 1 78 78 ILE C C 13 175.851 0.003 . 1 . . . . 229 Ile C . 17445 1 551 . 1 1 78 78 ILE CA C 13 60.597 0.005 . 1 . . . . 229 Ile CA . 17445 1 552 . 1 1 78 78 ILE CB C 13 38.076 0.010 . 1 . . . . 229 Ile CB . 17445 1 553 . 1 1 78 78 ILE N N 15 123.618 0.015 . 1 . . . . 229 Ile N . 17445 1 554 . 1 1 79 79 LEU H H 1 8.226 0.001 . 1 . . . . 230 Leu H . 17445 1 555 . 1 1 79 79 LEU HA H 1 4.162 0.001 . 1 . . . . 230 Leu HA . 17445 1 556 . 1 1 79 79 LEU HB2 H 1 1.356 0.001 . 2 . . . . 230 Leu HB2 . 17445 1 557 . 1 1 79 79 LEU HB3 H 1 1.430 0.001 . 2 . . . . 230 Leu HB3 . 17445 1 558 . 1 1 79 79 LEU C C 13 176.982 0.003 . 1 . . . . 230 Leu C . 17445 1 559 . 1 1 79 79 LEU CA C 13 54.898 0.061 . 1 . . . . 230 Leu CA . 17445 1 560 . 1 1 79 79 LEU CB C 13 42.148 0.022 . 1 . . . . 230 Leu CB . 17445 1 561 . 1 1 79 79 LEU N N 15 127.413 0.003 . 1 . . . . 230 Leu N . 17445 1 562 . 1 1 80 80 GLU H H 1 8.243 0.003 . 1 . . . . 231 Glu H . 17445 1 563 . 1 1 80 80 GLU HA H 1 4.061 0.001 . 1 . . . . 231 Glu HA . 17445 1 564 . 1 1 80 80 GLU HB2 H 1 1.712 0.001 . 2 . . . . 231 Glu HB2 . 17445 1 565 . 1 1 80 80 GLU HB3 H 1 1.817 0.001 . 2 . . . . 231 Glu HB3 . 17445 1 566 . 1 1 80 80 GLU C C 13 176.145 0.001 . 1 . . . . 231 Glu C . 17445 1 567 . 1 1 80 80 GLU CA C 13 56.347 0.001 . 1 . . . . 231 Glu CA . 17445 1 568 . 1 1 80 80 GLU CB C 13 30.235 0.075 . 1 . . . . 231 Glu CB . 17445 1 569 . 1 1 80 80 GLU N N 15 121.822 0.029 . 1 . . . . 231 Glu N . 17445 1 570 . 1 1 81 81 GLU H H 1 8.279 0.001 . 1 . . . . 232 Glu H . 17445 1 571 . 1 1 81 81 GLU HA H 1 4.091 0.001 . 1 . . . . 232 Glu HA . 17445 1 572 . 1 1 81 81 GLU HB2 H 1 1.728 0.001 . 2 . . . . 232 Glu HB2 . 17445 1 573 . 1 1 81 81 GLU HB3 H 1 1.828 0.001 . 2 . . . . 232 Glu HB3 . 17445 1 574 . 1 1 81 81 GLU C C 13 176.239 0.071 . 1 . . . . 232 Glu C . 17445 1 575 . 1 1 81 81 GLU CA C 13 56.278 0.006 . 1 . . . . 232 Glu CA . 17445 1 576 . 1 1 81 81 GLU CB C 13 30.157 0.029 . 1 . . . . 232 Glu CB . 17445 1 577 . 1 1 81 81 GLU N N 15 122.310 0.017 . 1 . . . . 232 Glu N . 17445 1 578 . 1 1 82 82 ILE H H 1 8.053 0.001 . 1 . . . . 233 Ile H . 17445 1 579 . 1 1 82 82 ILE HA H 1 3.921 0.001 . 1 . . . . 233 Ile HA . 17445 1 580 . 1 1 82 82 ILE HB H 1 1.644 0.001 . 1 . . . . 233 Ile HB . 17445 1 581 . 1 1 82 82 ILE C C 13 176.289 0.001 . 1 . . . . 233 Ile C . 17445 1 582 . 1 1 82 82 ILE CA C 13 61.079 0.001 . 1 . . . . 233 Ile CA . 17445 1 583 . 1 1 82 82 ILE CB C 13 38.368 0.001 . 1 . . . . 233 Ile CB . 17445 1 584 . 1 1 82 82 ILE N N 15 122.106 0.004 . 1 . . . . 233 Ile N . 17445 1 585 . 1 1 83 83 GLU H H 1 8.359 0.003 . 1 . . . . 234 Glu H . 17445 1 586 . 1 1 83 83 GLU HA H 1 4.118 0.001 . 1 . . . . 234 Glu HA . 17445 1 587 . 1 1 83 83 GLU HB2 H 1 1.838 0.001 . 2 . . . . 234 Glu HB2 . 17445 1 588 . 1 1 83 83 GLU HB3 H 1 1.745 0.001 . 2 . . . . 234 Glu HB3 . 17445 1 589 . 1 1 83 83 GLU C C 13 176.491 0.003 . 1 . . . . 234 Glu C . 17445 1 590 . 1 1 83 83 GLU CA C 13 56.524 0.044 . 1 . . . . 234 Glu CA . 17445 1 591 . 1 1 83 83 GLU CB C 13 30.153 0.003 . 1 . . . . 234 Glu CB . 17445 1 592 . 1 1 83 83 GLU N N 15 124.894 0.006 . 1 . . . . 234 Glu N . 17445 1 593 . 1 1 84 84 THR H H 1 8.104 0.001 . 1 . . . . 235 Thr H . 17445 1 594 . 1 1 84 84 THR HA H 1 4.080 0.001 . 1 . . . . 235 Thr HA . 17445 1 595 . 1 1 84 84 THR HB H 1 3.954 0.001 . 1 . . . . 235 Thr HB . 17445 1 596 . 1 1 84 84 THR C C 13 174.420 0.003 . 1 . . . . 235 Thr C . 17445 1 597 . 1 1 84 84 THR CA C 13 62.023 0.004 . 1 . . . . 235 Thr CA . 17445 1 598 . 1 1 84 84 THR CB C 13 69.632 0.006 . 1 . . . . 235 Thr CB . 17445 1 599 . 1 1 84 84 THR N N 15 116.766 0.028 . 1 . . . . 235 Thr N . 17445 1 600 . 1 1 85 85 ILE H H 1 8.087 0.001 . 1 . . . . 236 Ile H . 17445 1 601 . 1 1 85 85 ILE HA H 1 3.910 0.001 . 1 . . . . 236 Ile HA . 17445 1 602 . 1 1 85 85 ILE HB H 1 1.661 0.001 . 1 . . . . 236 Ile HB . 17445 1 603 . 1 1 85 85 ILE C C 13 176.166 0.001 . 1 . . . . 236 Ile C . 17445 1 604 . 1 1 85 85 ILE CA C 13 61.165 0.002 . 1 . . . . 236 Ile CA . 17445 1 605 . 1 1 85 85 ILE CB C 13 38.142 0.011 . 1 . . . . 236 Ile CB . 17445 1 606 . 1 1 85 85 ILE N N 15 124.047 0.004 . 1 . . . . 236 Ile N . 17445 1 607 . 1 1 86 86 LYS H H 1 8.243 0.001 . 1 . . . . 237 Lys H . 17445 1 608 . 1 1 86 86 LYS HA H 1 4.097 0.001 . 1 . . . . 237 Lys HA . 17445 1 609 . 1 1 86 86 LYS HB2 H 1 1.616 0.001 . 2 . . . . 237 Lys HB2 . 17445 1 610 . 1 1 86 86 LYS HB3 H 1 1.539 0.001 . 2 . . . . 237 Lys HB3 . 17445 1 611 . 1 1 86 86 LYS C C 13 176.456 0.002 . 1 . . . . 237 Lys C . 17445 1 612 . 1 1 86 86 LYS CA C 13 56.129 0.002 . 1 . . . . 237 Lys CA . 17445 1 613 . 1 1 86 86 LYS CB C 13 32.905 0.005 . 1 . . . . 237 Lys CB . 17445 1 614 . 1 1 86 86 LYS N N 15 126.020 0.009 . 1 . . . . 237 Lys N . 17445 1 615 . 1 1 87 87 GLU H H 1 8.268 0.001 . 1 . . . . 238 Glu H . 17445 1 616 . 1 1 87 87 GLU HA H 1 4.023 0.001 . 1 . . . . 238 Glu HA . 17445 1 617 . 1 1 87 87 GLU HB2 H 1 1.826 0.001 . 2 . . . . 238 Glu HB2 . 17445 1 618 . 1 1 87 87 GLU HB3 H 1 1.740 0.001 . 2 . . . . 238 Glu HB3 . 17445 1 619 . 1 1 87 87 GLU C C 13 176.323 0.001 . 1 . . . . 238 Glu C . 17445 1 620 . 1 1 87 87 GLU CA C 13 56.520 0.001 . 1 . . . . 238 Glu CA . 17445 1 621 . 1 1 87 87 GLU CB C 13 30.065 0.001 . 1 . . . . 238 Glu CB . 17445 1 622 . 1 1 87 87 GLU N N 15 122.070 0.022 . 1 . . . . 238 Glu N . 17445 1 623 . 1 1 88 88 LYS H H 1 8.223 0.002 . 1 . . . . 239 Lys H . 17445 1 624 . 1 1 88 88 LYS HA H 1 4.079 0.001 . 1 . . . . 239 Lys HA . 17445 1 625 . 1 1 88 88 LYS HB2 H 1 1.895 0.001 . 2 . . . . 239 Lys HB2 . 17445 1 626 . 1 1 88 88 LYS HB3 H 1 1.765 0.001 . 2 . . . . 239 Lys HB3 . 17445 1 627 . 1 1 88 88 LYS C C 13 176.326 0.001 . 1 . . . . 239 Lys C . 17445 1 628 . 1 1 88 88 LYS CA C 13 55.652 0.001 . 1 . . . . 239 Lys CA . 17445 1 629 . 1 1 88 88 LYS CB C 13 29.371 0.001 . 1 . . . . 239 Lys CB . 17445 1 630 . 1 1 88 88 LYS N N 15 122.375 0.007 . 1 . . . . 239 Lys N . 17445 1 631 . 1 1 89 89 GLN H H 1 8.299 0.003 . 1 . . . . 240 Gln H . 17445 1 632 . 1 1 89 89 GLN HA H 1 4.146 0.001 . 1 . . . . 240 Gln HA . 17445 1 633 . 1 1 89 89 GLN HB2 H 1 1.760 0.001 . 2 . . . . 240 Gln HB2 . 17445 1 634 . 1 1 89 89 GLN HB3 H 1 1.881 0.001 . 2 . . . . 240 Gln HB3 . 17445 1 635 . 1 1 89 89 GLN C C 13 175.471 0.001 . 1 . . . . 240 Gln C . 17445 1 636 . 1 1 89 89 GLN CA C 13 55.381 0.001 . 1 . . . . 240 Gln CA . 17445 1 637 . 1 1 89 89 GLN CB C 13 33.055 0.001 . 1 . . . . 240 Gln CB . 17445 1 638 . 1 1 89 89 GLN N N 15 121.735 0.017 . 1 . . . . 240 Gln N . 17445 1 639 . 1 1 90 90 ASP H H 1 8.331 0.004 . 1 . . . . 241 Asp H . 17445 1 640 . 1 1 90 90 ASP HA H 1 4.404 0.001 . 1 . . . . 241 Asp HA . 17445 1 641 . 1 1 90 90 ASP HB2 H 1 2.487 0.001 . 2 . . . . 241 Asp HB2 . 17445 1 642 . 1 1 90 90 ASP HB3 H 1 2.365 0.001 . 2 . . . . 241 Asp HB3 . 17445 1 643 . 1 1 90 90 ASP C C 13 175.857 0.009 . 1 . . . . 241 Asp C . 17445 1 644 . 1 1 90 90 ASP CA C 13 54.196 0.028 . 1 . . . . 241 Asp CA . 17445 1 645 . 1 1 90 90 ASP CB C 13 40.871 0.001 . 1 . . . . 241 Asp CB . 17445 1 646 . 1 1 90 90 ASP N N 15 122.184 0.027 . 1 . . . . 241 Asp N . 17445 1 647 . 1 1 91 91 VAL H H 1 7.941 0.001 . 1 . . . . 242 Val H . 17445 1 648 . 1 1 91 91 VAL HA H 1 3.900 0.001 . 1 . . . . 242 Val HA . 17445 1 649 . 1 1 91 91 VAL HB H 1 1.843 0.001 . 1 . . . . 242 Val HB . 17445 1 650 . 1 1 91 91 VAL C C 13 175.903 0.001 . 1 . . . . 242 Val C . 17445 1 651 . 1 1 91 91 VAL CA C 13 61.857 0.001 . 1 . . . . 242 Val CA . 17445 1 652 . 1 1 91 91 VAL CB C 13 32.610 0.001 . 1 . . . . 242 Val CB . 17445 1 653 . 1 1 91 91 VAL N N 15 120.157 0.017 . 1 . . . . 242 Val N . 17445 1 654 . 1 1 92 92 GLN H H 1 8.377 0.002 . 1 . . . . 243 Gln H . 17445 1 655 . 1 1 92 92 GLN HA H 1 4.406 0.001 . 1 . . . . 243 Gln HA . 17445 1 656 . 1 1 92 92 GLN HB2 H 1 1.897 0.001 . 2 . . . . 243 Gln HB2 . 17445 1 657 . 1 1 92 92 GLN HB3 H 1 1.720 0.001 . 2 . . . . 243 Gln HB3 . 17445 1 658 . 1 1 92 92 GLN C C 13 173.832 0.001 . 1 . . . . 243 Gln C . 17445 1 659 . 1 1 92 92 GLN CA C 13 53.291 0.001 . 1 . . . . 243 Gln CA . 17445 1 660 . 1 1 92 92 GLN CB C 13 28.635 0.001 . 1 . . . . 243 Gln CB . 17445 1 661 . 1 1 92 92 GLN N N 15 125.645 0.005 . 1 . . . . 243 Gln N . 17445 1 662 . 1 1 93 93 PRO HA H 1 4.212 0.001 . 1 . . . . 244 Pro HA . 17445 1 663 . 1 1 93 93 PRO HB2 H 1 2.105 0.001 . 2 . . . . 244 Pro HB2 . 17445 1 664 . 1 1 93 93 PRO HB3 H 1 1.692 0.001 . 2 . . . . 244 Pro HB3 . 17445 1 665 . 1 1 93 93 PRO C C 13 176.736 0.001 . 1 . . . . 244 Pro C . 17445 1 666 . 1 1 93 93 PRO CA C 13 62.864 0.001 . 1 . . . . 244 Pro CA . 17445 1 667 . 1 1 93 93 PRO CB C 13 31.975 0.001 . 1 . . . . 244 Pro CB . 17445 1 668 . 1 1 94 94 GLN H H 1 8.400 0.001 . 1 . . . . 245 Gln H . 17445 1 669 . 1 1 94 94 GLN HA H 1 4.071 0.001 . 1 . . . . 245 Gln HA . 17445 1 670 . 1 1 94 94 GLN HB2 H 1 1.886 0.001 . 2 . . . . 245 Gln HB2 . 17445 1 671 . 1 1 94 94 GLN HB3 H 1 1.767 0.001 . 2 . . . . 245 Gln HB3 . 17445 1 672 . 1 1 94 94 GLN C C 13 175.863 0.001 . 1 . . . . 245 Gln C . 17445 1 673 . 1 1 94 94 GLN CA C 13 55.822 0.001 . 1 . . . . 245 Gln CA . 17445 1 674 . 1 1 94 94 GLN CB C 13 29.422 0.001 . 1 . . . . 245 Gln CB . 17445 1 675 . 1 1 94 94 GLN N N 15 120.769 0.005 . 1 . . . . 245 Gln N . 17445 1 676 . 1 1 95 95 GLN H H 1 8.324 0.005 . 1 . . . . 246 Gln H . 17445 1 677 . 1 1 95 95 GLN HA H 1 4.116 0.001 . 1 . . . . 246 Gln HA . 17445 1 678 . 1 1 95 95 GLN HB2 H 1 1.883 0.001 . 2 . . . . 246 Gln HB2 . 17445 1 679 . 1 1 95 95 GLN HB3 H 1 1.772 0.001 . 2 . . . . 246 Gln HB3 . 17445 1 680 . 1 1 95 95 GLN C C 13 175.324 0.003 . 1 . . . . 246 Gln C . 17445 1 681 . 1 1 95 95 GLN CA C 13 55.344 0.001 . 1 . . . . 246 Gln CA . 17445 1 682 . 1 1 95 95 GLN CB C 13 29.515 0.001 . 1 . . . . 246 Gln CB . 17445 1 683 . 1 1 95 95 GLN N N 15 122.115 0.017 . 1 . . . . 246 Gln N . 17445 1 684 . 1 1 96 96 ALA H H 1 8.309 0.001 . 1 . . . . 247 Ala H . 17445 1 685 . 1 1 96 96 ALA HA H 1 4.125 0.001 . 1 . . . . 247 Ala HA . 17445 1 686 . 1 1 96 96 ALA HB1 H 1 1.175 0.001 . 1 . . . . 247 Ala HB1 . 17445 1 687 . 1 1 96 96 ALA HB2 H 1 1.175 0.001 . 1 . . . . 247 Ala HB2 . 17445 1 688 . 1 1 96 96 ALA HB3 H 1 1.175 0.001 . 1 . . . . 247 Ala HB3 . 17445 1 689 . 1 1 96 96 ALA C C 13 177.384 0.001 . 1 . . . . 247 Ala C . 17445 1 690 . 1 1 96 96 ALA CA C 13 52.138 0.008 . 1 . . . . 247 Ala CA . 17445 1 691 . 1 1 96 96 ALA CB C 13 19.197 0.002 . 1 . . . . 247 Ala CB . 17445 1 692 . 1 1 96 96 ALA N N 15 126.055 0.008 . 1 . . . . 247 Ala N . 17445 1 693 . 1 1 97 97 SER H H 1 8.283 0.002 . 1 . . . . 248 Ser H . 17445 1 694 . 1 1 97 97 SER HA H 1 4.548 0.001 . 1 . . . . 248 Ser HA . 17445 1 695 . 1 1 97 97 SER HB3 H 1 3.680 0.001 . 2 . . . . 248 Ser HB3 . 17445 1 696 . 1 1 97 97 SER C C 13 172.776 0.001 . 1 . . . . 248 Ser C . 17445 1 697 . 1 1 97 97 SER CA C 13 56.169 0.001 . 1 . . . . 248 Ser CA . 17445 1 698 . 1 1 97 97 SER CB C 13 63.064 0.001 . 1 . . . . 248 Ser CB . 17445 1 699 . 1 1 97 97 SER N N 15 117.046 0.006 . 1 . . . . 248 Ser N . 17445 1 700 . 1 1 98 98 PRO HA H 1 4.231 0.001 . 1 . . . . 249 Pro HA . 17445 1 701 . 1 1 98 98 PRO HB2 H 1 2.101 0.001 . 2 . . . . 249 Pro HB2 . 17445 1 702 . 1 1 98 98 PRO HB3 H 1 1.725 0.001 . 2 . . . . 249 Pro HB3 . 17445 1 703 . 1 1 98 98 PRO C C 13 176.697 0.001 . 1 . . . . 249 Pro C . 17445 1 704 . 1 1 98 98 PRO CA C 13 63.081 0.001 . 1 . . . . 249 Pro CA . 17445 1 705 . 1 1 98 98 PRO CB C 13 31.913 0.001 . 1 . . . . 249 Pro CB . 17445 1 706 . 1 1 99 99 LEU H H 1 8.123 0.001 . 1 . . . . 250 Leu H . 17445 1 707 . 1 1 99 99 LEU HA H 1 4.101 0.001 . 1 . . . . 250 Leu HA . 17445 1 708 . 1 1 99 99 LEU HB2 H 1 1.876 0.001 . 2 . . . . 250 Leu HB2 . 17445 1 709 . 1 1 99 99 LEU HB3 H 1 1.779 0.001 . 2 . . . . 250 Leu HB3 . 17445 1 710 . 1 1 99 99 LEU C C 13 177.443 0.001 . 1 . . . . 250 Leu C . 17445 1 711 . 1 1 99 99 LEU CA C 13 55.064 0.001 . 1 . . . . 250 Leu CA . 17445 1 712 . 1 1 99 99 LEU CB C 13 42.144 0.001 . 1 . . . . 250 Leu CB . 17445 1 713 . 1 1 99 99 LEU N N 15 121.758 0.004 . 1 . . . . 250 Leu N . 17445 1 714 . 1 1 100 100 GLU H H 1 8.233 0.003 . 1 . . . . 251 Glu H . 17445 1 715 . 1 1 100 100 GLU HA H 1 4.170 0.001 . 1 . . . . 251 Glu HA . 17445 1 716 . 1 1 100 100 GLU HB2 H 1 1.877 0.001 . 2 . . . . 251 Glu HB2 . 17445 1 717 . 1 1 100 100 GLU HB3 H 1 1.762 0.001 . 2 . . . . 251 Glu HB3 . 17445 1 718 . 1 1 100 100 GLU C C 13 176.473 0.001 . 1 . . . . 251 Glu C . 17445 1 719 . 1 1 100 100 GLU CA C 13 56.289 0.001 . 1 . . . . 251 Glu CA . 17445 1 720 . 1 1 100 100 GLU CB C 13 30.160 0.001 . 1 . . . . 251 Glu CB . 17445 1 721 . 1 1 100 100 GLU N N 15 121.799 0.021 . 1 . . . . 251 Glu N . 17445 1 722 . 1 1 101 101 THR H H 1 8.065 0.001 . 1 . . . . 252 Thr H . 17445 1 723 . 1 1 101 101 THR HA H 1 4.208 0.001 . 1 . . . . 252 Thr HA . 17445 1 724 . 1 1 101 101 THR HB H 1 4.067 0.001 . 1 . . . . 252 Thr HB . 17445 1 725 . 1 1 101 101 THR C C 13 174.399 0.003 . 1 . . . . 252 Thr C . 17445 1 726 . 1 1 101 101 THR CA C 13 61.407 0.012 . 1 . . . . 252 Thr CA . 17445 1 727 . 1 1 101 101 THR CB C 13 69.718 0.003 . 1 . . . . 252 Thr CB . 17445 1 728 . 1 1 101 101 THR N N 15 115.041 0.003 . 1 . . . . 252 Thr N . 17445 1 729 . 1 1 102 102 SER H H 1 8.273 0.001 . 1 . . . . 253 Ser H . 17445 1 730 . 1 1 102 102 SER HA H 1 4.299 0.001 . 1 . . . . 253 Ser HA . 17445 1 731 . 1 1 102 102 SER HB2 H 1 3.705 0.001 . 2 . . . . 253 Ser HB2 . 17445 1 732 . 1 1 102 102 SER HB3 H 1 3.665 0.001 . 2 . . . . 253 Ser HB3 . 17445 1 733 . 1 1 102 102 SER C C 13 174.619 0.001 . 1 . . . . 253 Ser C . 17445 1 734 . 1 1 102 102 SER CA C 13 58.233 0.005 . 1 . . . . 253 Ser CA . 17445 1 735 . 1 1 102 102 SER CB C 13 63.704 0.011 . 1 . . . . 253 Ser CB . 17445 1 736 . 1 1 102 102 SER N N 15 117.959 0.007 . 1 . . . . 253 Ser N . 17445 1 737 . 1 1 103 103 GLU H H 1 8.408 0.001 . 1 . . . . 254 Glu H . 17445 1 738 . 1 1 103 103 GLU HA H 1 4.146 0.001 . 1 . . . . 254 Glu HA . 17445 1 739 . 1 1 103 103 GLU HB2 H 1 1.895 0.001 . 2 . . . . 254 Glu HB2 . 17445 1 740 . 1 1 103 103 GLU HB3 H 1 1.761 0.001 . 2 . . . . 254 Glu HB3 . 17445 1 741 . 1 1 103 103 GLU C C 13 176.751 0.003 . 1 . . . . 254 Glu C . 17445 1 742 . 1 1 103 103 GLU CA C 13 56.724 0.001 . 1 . . . . 254 Glu CA . 17445 1 743 . 1 1 103 103 GLU CB C 13 29.982 0.001 . 1 . . . . 254 Glu CB . 17445 1 744 . 1 1 103 103 GLU N N 15 122.883 0.016 . 1 . . . . 254 Glu N . 17445 1 745 . 1 1 104 104 THR H H 1 7.974 0.002 . 1 . . . . 255 Thr H . 17445 1 746 . 1 1 104 104 THR HA H 1 4.077 0.001 . 1 . . . . 255 Thr HA . 17445 1 747 . 1 1 104 104 THR HB H 1 3.988 0.001 . 1 . . . . 255 Thr HB . 17445 1 748 . 1 1 104 104 THR C C 13 174.208 0.003 . 1 . . . . 255 Thr C . 17445 1 749 . 1 1 104 104 THR CA C 13 61.902 0.007 . 1 . . . . 255 Thr CA . 17445 1 750 . 1 1 104 104 THR CB C 13 69.514 0.006 . 1 . . . . 255 Thr CB . 17445 1 751 . 1 1 104 104 THR N N 15 113.982 0.013 . 1 . . . . 255 Thr N . 17445 1 752 . 1 1 105 105 ASP H H 1 8.097 0.001 . 1 . . . . 256 Asp H . 17445 1 753 . 1 1 105 105 ASP HA H 1 4.362 0.001 . 1 . . . . 256 Asp HA . 17445 1 754 . 1 1 105 105 ASP HB2 H 1 2.445 0.001 . 2 . . . . 256 Asp HB2 . 17445 1 755 . 1 1 105 105 ASP HB3 H 1 2.416 0.001 . 2 . . . . 256 Asp HB3 . 17445 1 756 . 1 1 105 105 ASP C C 13 175.928 0.001 . 1 . . . . 256 Asp C . 17445 1 757 . 1 1 105 105 ASP CA C 13 54.221 0.008 . 1 . . . . 256 Asp CA . 17445 1 758 . 1 1 105 105 ASP CB C 13 40.815 0.001 . 1 . . . . 256 Asp CB . 17445 1 759 . 1 1 105 105 ASP N N 15 122.285 0.025 . 1 . . . . 256 Asp N . 17445 1 760 . 1 1 106 106 HIS H H 1 8.160 0.003 . 1 . . . . 257 His H . 17445 1 761 . 1 1 106 106 HIS HA H 1 4.446 0.001 . 1 . . . . 257 His HA . 17445 1 762 . 1 1 106 106 HIS HB2 H 1 3.033 0.001 . 2 . . . . 257 His HB2 . 17445 1 763 . 1 1 106 106 HIS HB3 H 1 2.916 0.001 . 2 . . . . 257 His HB3 . 17445 1 764 . 1 1 106 106 HIS C C 13 174.624 0.001 . 1 . . . . 257 His C . 17445 1 765 . 1 1 106 106 HIS CA C 13 55.521 0.004 . 1 . . . . 257 His CA . 17445 1 766 . 1 1 106 106 HIS CB C 13 29.302 0.008 . 1 . . . . 257 His CB . 17445 1 767 . 1 1 106 106 HIS N N 15 119.136 0.021 . 1 . . . . 257 His N . 17445 1 768 . 1 1 107 107 GLN H H 1 8.228 0.002 . 1 . . . . 258 Gln H . 17445 1 769 . 1 1 107 107 GLN HA H 1 4.097 0.001 . 1 . . . . 258 Gln HA . 17445 1 770 . 1 1 107 107 GLN HB2 H 1 1.871 0.001 . 2 . . . . 258 Gln HB2 . 17445 1 771 . 1 1 107 107 GLN HB3 H 1 1.761 0.001 . 2 . . . . 258 Gln HB3 . 17445 1 772 . 1 1 107 107 GLN C C 13 175.633 0.001 . 1 . . . . 258 Gln C . 17445 1 773 . 1 1 107 107 GLN CA C 13 55.524 0.003 . 1 . . . . 258 Gln CA . 17445 1 774 . 1 1 107 107 GLN CB C 13 29.255 0.002 . 1 . . . . 258 Gln CB . 17445 1 775 . 1 1 107 107 GLN N N 15 121.187 0.005 . 1 . . . . 258 Gln N . 17445 1 776 . 1 1 108 108 GLN H H 1 8.323 0.001 . 1 . . . . 259 Gln H . 17445 1 777 . 1 1 108 108 GLN HA H 1 4.386 0.001 . 1 . . . . 259 Gln HA . 17445 1 778 . 1 1 108 108 GLN HB3 H 1 1.740 0.001 . 2 . . . . 259 Gln HB3 . 17445 1 779 . 1 1 108 108 GLN C C 13 173.801 0.001 . 1 . . . . 259 Gln C . 17445 1 780 . 1 1 108 108 GLN CA C 13 53.492 0.001 . 1 . . . . 259 Gln CA . 17445 1 781 . 1 1 108 108 GLN CB C 13 28.583 0.001 . 1 . . . . 259 Gln CB . 17445 1 782 . 1 1 108 108 GLN N N 15 122.883 0.004 . 1 . . . . 259 Gln N . 17445 1 783 . 1 1 109 109 PRO HA H 1 4.236 0.001 . 1 . . . . 260 Pro HA . 17445 1 784 . 1 1 109 109 PRO HB2 H 1 2.083 0.001 . 2 . . . . 260 Pro HB2 . 17445 1 785 . 1 1 109 109 PRO HB3 H 1 1.639 0.001 . 2 . . . . 260 Pro HB3 . 17445 1 786 . 1 1 109 109 PRO C C 13 176.445 0.001 . 1 . . . . 260 Pro C . 17445 1 787 . 1 1 109 109 PRO CA C 13 62.805 0.001 . 1 . . . . 260 Pro CA . 17445 1 788 . 1 1 109 109 PRO CB C 13 32.014 0.001 . 1 . . . . 260 Pro CB . 17445 1 789 . 1 1 110 110 VAL H H 1 8.201 0.001 . 1 . . . . 261 Val H . 17445 1 790 . 1 1 110 110 VAL HA H 1 3.851 0.001 . 1 . . . . 261 Val HA . 17445 1 791 . 1 1 110 110 VAL HB H 1 1.825 0.001 . 1 . . . . 261 Val HB . 17445 1 792 . 1 1 110 110 VAL C C 13 176.179 0.001 . 1 . . . . 261 Val C . 17445 1 793 . 1 1 110 110 VAL CA C 13 62.144 0.001 . 1 . . . . 261 Val CA . 17445 1 794 . 1 1 110 110 VAL CB C 13 32.420 0.001 . 1 . . . . 261 Val CB . 17445 1 795 . 1 1 110 110 VAL N N 15 121.348 0.004 . 1 . . . . 261 Val N . 17445 1 796 . 1 1 111 111 LEU H H 1 8.307 0.001 . 1 . . . . 262 Leu H . 17445 1 797 . 1 1 111 111 LEU HA H 1 4.226 0.001 . 1 . . . . 262 Leu HA . 17445 1 798 . 1 1 111 111 LEU HB2 H 1 1.456 0.001 . 2 . . . . 262 Leu HB2 . 17445 1 799 . 1 1 111 111 LEU HB3 H 1 1.379 0.001 . 2 . . . . 262 Leu HB3 . 17445 1 800 . 1 1 111 111 LEU C C 13 177.031 0.001 . 1 . . . . 262 Leu C . 17445 1 801 . 1 1 111 111 LEU CA C 13 54.724 0.001 . 1 . . . . 262 Leu CA . 17445 1 802 . 1 1 111 111 LEU CB C 13 42.094 0.007 . 1 . . . . 262 Leu CB . 17445 1 803 . 1 1 111 111 LEU N N 15 127.103 0.003 . 1 . . . . 262 Leu N . 17445 1 804 . 1 1 112 112 SER H H 1 8.143 0.001 . 1 . . . . 263 Ser H . 17445 1 805 . 1 1 112 112 SER HA H 1 4.240 0.001 . 1 . . . . 263 Ser HA . 17445 1 806 . 1 1 112 112 SER HB2 H 1 3.660 0.001 . 2 . . . . 263 Ser HB2 . 17445 1 807 . 1 1 112 112 SER HB3 H 1 3.603 0.001 . 2 . . . . 263 Ser HB3 . 17445 1 808 . 1 1 112 112 SER C C 13 173.921 0.002 . 1 . . . . 263 Ser C . 17445 1 809 . 1 1 112 112 SER CB C 13 63.779 0.012 . 1 . . . . 263 Ser CB . 17445 1 810 . 1 1 112 112 SER N N 15 116.549 0.014 . 1 . . . . 263 Ser N . 17445 1 811 . 1 1 113 113 ASP H H 1 8.237 0.002 . 1 . . . . 264 Asp H . 17445 1 812 . 1 1 113 113 ASP HA H 1 4.413 0.001 . 1 . . . . 264 Asp HA . 17445 1 813 . 1 1 113 113 ASP HB2 H 1 2.462 0.001 . 2 . . . . 264 Asp HB2 . 17445 1 814 . 1 1 113 113 ASP HB3 H 1 2.398 0.001 . 2 . . . . 264 Asp HB3 . 17445 1 815 . 1 1 113 113 ASP C C 13 175.613 0.004 . 1 . . . . 264 Asp C . 17445 1 816 . 1 1 113 113 ASP CA C 13 54.026 0.015 . 1 . . . . 264 Asp CA . 17445 1 817 . 1 1 113 113 ASP CB C 13 40.848 0.014 . 1 . . . . 264 Asp CB . 17445 1 818 . 1 1 113 113 ASP N N 15 122.633 0.013 . 1 . . . . 264 Asp N . 17445 1 819 . 1 1 114 114 VAL H H 1 7.908 0.001 . 1 . . . . 265 Val H . 17445 1 820 . 1 1 114 114 VAL HA H 1 4.185 0.001 . 1 . . . . 265 Val HA . 17445 1 821 . 1 1 114 114 VAL HB H 1 1.847 0.001 . 1 . . . . 265 Val HB . 17445 1 822 . 1 1 114 114 VAL C C 13 174.001 0.001 . 1 . . . . 265 Val C . 17445 1 823 . 1 1 114 114 VAL CA C 13 59.688 0.001 . 1 . . . . 265 Val CA . 17445 1 824 . 1 1 114 114 VAL CB C 13 32.420 0.001 . 1 . . . . 265 Val CB . 17445 1 825 . 1 1 114 114 VAL N N 15 121.765 0.007 . 1 . . . . 265 Val N . 17445 1 826 . 1 1 116 116 PRO HA H 1 4.239 0.001 . 1 . . . . 267 Pro HA . 17445 1 827 . 1 1 116 116 PRO HB2 H 1 2.068 0.001 . 2 . . . . 267 Pro HB2 . 17445 1 828 . 1 1 116 116 PRO HB3 H 1 1.683 0.001 . 2 . . . . 267 Pro HB3 . 17445 1 829 . 1 1 116 116 PRO C C 13 176.581 0.001 . 1 . . . . 267 Pro C . 17445 1 830 . 1 1 116 116 PRO CA C 13 62.325 0.001 . 1 . . . . 267 Pro CA . 17445 1 831 . 1 1 116 116 PRO CB C 13 31.857 0.001 . 1 . . . . 267 Pro CB . 17445 1 832 . 1 1 117 117 LEU H H 1 8.145 0.001 . 1 . . . . 268 Leu H . 17445 1 833 . 1 1 117 117 LEU HA H 1 4.365 0.001 . 1 . . . . 268 Leu HA . 17445 1 834 . 1 1 117 117 LEU HB3 H 1 1.364 0.001 . 2 . . . . 268 Leu HB3 . 17445 1 835 . 1 1 117 117 LEU C C 13 175.245 0.001 . 1 . . . . 268 Leu C . 17445 1 836 . 1 1 117 117 LEU CA C 13 52.803 0.001 . 1 . . . . 268 Leu CA . 17445 1 837 . 1 1 117 117 LEU CB C 13 41.391 0.001 . 1 . . . . 268 Leu CB . 17445 1 838 . 1 1 117 117 LEU N N 15 123.499 0.003 . 1 . . . . 268 Leu N . 17445 1 839 . 1 1 118 118 PRO HA H 1 4.172 0.001 . 1 . . . . 269 Pro HA . 17445 1 840 . 1 1 118 118 PRO HB2 H 1 2.077 0.001 . 2 . . . . 269 Pro HB2 . 17445 1 841 . 1 1 118 118 PRO HB3 H 1 1.668 0.001 . 2 . . . . 269 Pro HB3 . 17445 1 842 . 1 1 118 118 PRO C C 13 176.210 0.001 . 1 . . . . 269 Pro C . 17445 1 843 . 1 1 118 118 PRO CA C 13 62.600 0.001 . 1 . . . . 269 Pro CA . 17445 1 844 . 1 1 118 118 PRO CB C 13 31.902 0.001 . 1 . . . . 269 Pro CB . 17445 1 845 . 1 1 119 119 ALA H H 1 8.208 0.001 . 1 . . . . 270 Ala H . 17445 1 846 . 1 1 119 119 ALA HA H 1 4.080 0.001 . 1 . . . . 270 Ala HA . 17445 1 847 . 1 1 119 119 ALA HB1 H 1 1.138 0.001 . 1 . . . . 270 Ala HB1 . 17445 1 848 . 1 1 119 119 ALA HB2 H 1 1.138 0.001 . 1 . . . . 270 Ala HB2 . 17445 1 849 . 1 1 119 119 ALA HB3 H 1 1.138 0.001 . 1 . . . . 270 Ala HB3 . 17445 1 850 . 1 1 119 119 ALA C C 13 177.426 0.001 . 1 . . . . 270 Ala C . 17445 1 851 . 1 1 119 119 ALA CA C 13 51.938 0.011 . 1 . . . . 270 Ala CA . 17445 1 852 . 1 1 119 119 ALA CB C 13 18.973 0.010 . 1 . . . . 270 Ala CB . 17445 1 853 . 1 1 119 119 ALA N N 15 124.499 0.005 . 1 . . . . 270 Ala N . 17445 1 854 . 1 1 120 120 ILE H H 1 8.093 0.001 . 1 . . . . 271 Ile H . 17445 1 855 . 1 1 120 120 ILE HA H 1 4.240 0.001 . 1 . . . . 271 Ile HA . 17445 1 856 . 1 1 120 120 ILE HB H 1 1.647 0.001 . 1 . . . . 271 Ile HB . 17445 1 857 . 1 1 120 120 ILE C C 13 174.602 0.001 . 1 . . . . 271 Ile C . 17445 1 858 . 1 1 120 120 ILE CA C 13 58.371 0.001 . 1 . . . . 271 Ile CA . 17445 1 859 . 1 1 120 120 ILE CB C 13 38.388 0.001 . 1 . . . . 271 Ile CB . 17445 1 860 . 1 1 120 120 ILE N N 15 122.131 0.038 . 1 . . . . 271 Ile N . 17445 1 861 . 1 1 121 121 PRO HA H 1 4.187 0.001 . 1 . . . . 272 Pro HA . 17445 1 862 . 1 1 121 121 PRO HB2 H 1 2.094 0.001 . 2 . . . . 272 Pro HB2 . 17445 1 863 . 1 1 121 121 PRO HB3 H 1 1.696 0.001 . 2 . . . . 272 Pro HB3 . 17445 1 864 . 1 1 121 121 PRO C C 13 176.510 0.001 . 1 . . . . 272 Pro C . 17445 1 865 . 1 1 121 121 PRO CA C 13 63.066 0.001 . 1 . . . . 272 Pro CA . 17445 1 866 . 1 1 121 121 PRO CB C 13 32.023 0.001 . 1 . . . . 272 Pro CB . 17445 1 867 . 1 1 122 122 ASP H H 1 8.262 0.001 . 1 . . . . 273 Asp H . 17445 1 868 . 1 1 122 122 ASP HA H 1 4.308 0.001 . 1 . . . . 273 Asp HA . 17445 1 869 . 1 1 122 122 ASP HB2 H 1 2.406 0.001 . 2 . . . . 273 Asp HB2 . 17445 1 870 . 1 1 122 122 ASP HB3 H 1 2.496 0.001 . 2 . . . . 273 Asp HB3 . 17445 1 871 . 1 1 122 122 ASP C C 13 176.231 0.003 . 1 . . . . 273 Asp C . 17445 1 872 . 1 1 122 122 ASP CA C 13 54.459 0.001 . 1 . . . . 273 Asp CA . 17445 1 873 . 1 1 122 122 ASP N N 15 120.445 0.020 . 1 . . . . 273 Asp N . 17445 1 874 . 1 1 123 123 GLN H H 1 8.161 0.002 . 1 . . . . 274 Gln H . 17445 1 875 . 1 1 123 123 GLN HA H 1 4.076 0.001 . 1 . . . . 274 Gln HA . 17445 1 876 . 1 1 123 123 GLN HB3 H 1 1.894 0.001 . 2 . . . . 274 Gln HB3 . 17445 1 877 . 1 1 123 123 GLN C C 13 175.690 0.001 . 1 . . . . 274 Gln C . 17445 1 878 . 1 1 123 123 GLN CA C 13 55.652 0.001 . 1 . . . . 274 Gln CA . 17445 1 879 . 1 1 123 123 GLN CB C 13 29.350 0.001 . 1 . . . . 274 Gln CB . 17445 1 880 . 1 1 123 123 GLN N N 15 120.264 0.013 . 1 . . . . 274 Gln N . 17445 1 881 . 1 1 124 124 GLN HA H 1 4.093 0.001 . 1 . . . . 275 Gln HA . 17445 1 882 . 1 1 124 124 GLN HB2 H 1 1.854 0.001 . 2 . . . . 275 Gln HB2 . 17445 1 883 . 1 1 124 124 GLN HB3 H 1 1.780 0.001 . 2 . . . . 275 Gln HB3 . 17445 1 884 . 1 1 124 124 GLN C C 13 175.700 0.001 . 1 . . . . 275 Gln C . 17445 1 885 . 1 1 124 124 GLN CB C 13 29.162 0.001 . 1 . . . . 275 Gln CB . 17445 1 886 . 1 1 125 125 ILE H H 1 8.108 0.004 . 1 . . . . 276 Ile H . 17445 1 887 . 1 1 125 125 ILE HA H 1 3.938 0.001 . 1 . . . . 276 Ile HA . 17445 1 888 . 1 1 125 125 ILE HB H 1 1.645 0.001 . 1 . . . . 276 Ile HB . 17445 1 889 . 1 1 125 125 ILE C C 13 176.142 0.001 . 1 . . . . 276 Ile C . 17445 1 890 . 1 1 125 125 ILE CA C 13 60.951 0.015 . 1 . . . . 276 Ile CA . 17445 1 891 . 1 1 125 125 ILE CB C 13 38.259 0.007 . 1 . . . . 276 Ile CB . 17445 1 892 . 1 1 125 125 ILE N N 15 123.135 0.027 . 1 . . . . 276 Ile N . 17445 1 893 . 1 1 126 126 VAL H H 1 8.154 0.001 . 1 . . . . 277 Val H . 17445 1 894 . 1 1 126 126 VAL HA H 1 3.893 0.001 . 1 . . . . 277 Val HA . 17445 1 895 . 1 1 126 126 VAL HB H 1 1.828 0.001 . 1 . . . . 277 Val HB . 17445 1 896 . 1 1 126 126 VAL C C 13 175.911 0.001 . 1 . . . . 277 Val C . 17445 1 897 . 1 1 126 126 VAL CA C 13 61.987 0.001 . 1 . . . . 277 Val CA . 17445 1 898 . 1 1 126 126 VAL CB C 13 32.604 0.001 . 1 . . . . 277 Val CB . 17445 1 899 . 1 1 126 126 VAL N N 15 125.657 0.006 . 1 . . . . 277 Val N . 17445 1 900 . 1 1 127 127 GLU H H 1 8.384 0.002 . 1 . . . . 278 Glu H . 17445 1 901 . 1 1 127 127 GLU HA H 1 4.074 0.001 . 1 . . . . 278 Glu HA . 17445 1 902 . 1 1 127 127 GLU HB2 H 1 1.814 0.001 . 2 . . . . 278 Glu HB2 . 17445 1 903 . 1 1 127 127 GLU HB3 H 1 1.713 0.001 . 2 . . . . 278 Glu HB3 . 17445 1 904 . 1 1 127 127 GLU C C 13 176.238 0.001 . 1 . . . . 278 Glu C . 17445 1 905 . 1 1 127 127 GLU CA C 13 56.249 0.002 . 1 . . . . 278 Glu CA . 17445 1 906 . 1 1 127 127 GLU CB C 13 30.265 0.006 . 1 . . . . 278 Glu CB . 17445 1 907 . 1 1 127 127 GLU N N 15 125.665 0.006 . 1 . . . . 278 Glu N . 17445 1 908 . 1 1 128 128 GLU H H 1 8.362 0.001 . 1 . . . . 279 Glu H . 17445 1 909 . 1 1 128 128 GLU HA H 1 4.040 0.001 . 1 . . . . 279 Glu HA . 17445 1 910 . 1 1 128 128 GLU HB2 H 1 1.732 0.001 . 2 . . . . 279 Glu HB2 . 17445 1 911 . 1 1 128 128 GLU HB3 H 1 1.834 0.001 . 2 . . . . 279 Glu HB3 . 17445 1 912 . 1 1 128 128 GLU C C 13 176.222 0.004 . 1 . . . . 279 Glu C . 17445 1 913 . 1 1 128 128 GLU CA C 13 56.341 0.036 . 1 . . . . 279 Glu CA . 17445 1 914 . 1 1 128 128 GLU CB C 13 30.191 0.017 . 1 . . . . 279 Glu CB . 17445 1 915 . 1 1 128 128 GLU N N 15 123.001 0.004 . 1 . . . . 279 Glu N . 17445 1 916 . 1 1 129 129 ALA H H 1 8.304 0.001 . 1 . . . . 280 Ala H . 17445 1 917 . 1 1 129 129 ALA HA H 1 4.125 0.001 . 1 . . . . 280 Ala HA . 17445 1 918 . 1 1 129 129 ALA HB1 H 1 1.205 0.001 . 1 . . . . 280 Ala HB1 . 17445 1 919 . 1 1 129 129 ALA HB2 H 1 1.205 0.001 . 1 . . . . 280 Ala HB2 . 17445 1 920 . 1 1 129 129 ALA HB3 H 1 1.205 0.001 . 1 . . . . 280 Ala HB3 . 17445 1 921 . 1 1 129 129 ALA C C 13 177.811 0.004 . 1 . . . . 280 Ala C . 17445 1 922 . 1 1 129 129 ALA CA C 13 52.446 0.003 . 1 . . . . 280 Ala CA . 17445 1 923 . 1 1 129 129 ALA CB C 13 18.964 0.005 . 1 . . . . 280 Ala CB . 17445 1 924 . 1 1 129 129 ALA N N 15 125.628 0.006 . 1 . . . . 280 Ala N . 17445 1 925 . 1 1 130 130 SER H H 1 8.216 0.001 . 1 . . . . 281 Ser H . 17445 1 926 . 1 1 130 130 SER HA H 1 4.223 0.001 . 1 . . . . 281 Ser HA . 17445 1 927 . 1 1 130 130 SER HB2 H 1 3.696 0.001 . 2 . . . . 281 Ser HB2 . 17445 1 928 . 1 1 130 130 SER HB3 H 1 3.657 0.001 . 2 . . . . 281 Ser HB3 . 17445 1 929 . 1 1 130 130 SER C C 13 174.413 0.002 . 1 . . . . 281 Ser C . 17445 1 930 . 1 1 130 130 SER CA C 13 58.211 0.016 . 1 . . . . 281 Ser CA . 17445 1 931 . 1 1 130 130 SER CB C 13 63.566 0.002 . 1 . . . . 281 Ser CB . 17445 1 932 . 1 1 130 130 SER N N 15 115.127 0.025 . 1 . . . . 281 Ser N . 17445 1 933 . 1 1 131 131 ASN H H 1 8.313 0.002 . 1 . . . . 282 Asn H . 17445 1 934 . 1 1 131 131 ASN HA H 1 4.570 0.001 . 1 . . . . 282 Asn HA . 17445 1 935 . 1 1 131 131 ASN HB2 H 1 2.663 0.001 . 2 . . . . 282 Asn HB2 . 17445 1 936 . 1 1 131 131 ASN HB3 H 1 2.599 0.001 . 2 . . . . 282 Asn HB3 . 17445 1 937 . 1 1 131 131 ASN C C 13 175.307 0.001 . 1 . . . . 282 Asn C . 17445 1 938 . 1 1 131 131 ASN CA C 13 53.099 0.004 . 1 . . . . 282 Asn CA . 17445 1 939 . 1 1 131 131 ASN CB C 13 38.713 0.009 . 1 . . . . 282 Asn CB . 17445 1 940 . 1 1 131 131 ASN N N 15 120.794 0.019 . 1 . . . . 282 Asn N . 17445 1 941 . 1 1 132 132 SER H H 1 8.181 0.002 . 1 . . . . 283 Ser H . 17445 1 942 . 1 1 132 132 SER HB3 H 1 3.710 0.001 . 2 . . . . 283 Ser HB3 . 17445 1 943 . 1 1 132 132 SER C C 13 174.774 0.001 . 1 . . . . 283 Ser C . 17445 1 944 . 1 1 132 132 SER CA C 13 58.473 0.001 . 1 . . . . 283 Ser CA . 17445 1 945 . 1 1 132 132 SER CB C 13 63.537 0.001 . 1 . . . . 283 Ser CB . 17445 1 946 . 1 1 132 132 SER N N 15 116.241 0.005 . 1 . . . . 283 Ser N . 17445 1 947 . 1 1 133 133 THR H H 1 8.092 0.002 . 1 . . . . 284 Thr H . 17445 1 948 . 1 1 133 133 THR HA H 1 4.151 0.001 . 1 . . . . 284 Thr HA . 17445 1 949 . 1 1 133 133 THR HB H 1 4.061 0.001 . 1 . . . . 284 Thr HB . 17445 1 950 . 1 1 133 133 THR C C 13 174.481 0.001 . 1 . . . . 284 Thr C . 17445 1 951 . 1 1 133 133 THR CA C 13 61.905 0.001 . 1 . . . . 284 Thr CA . 17445 1 952 . 1 1 133 133 THR CB C 13 69.431 0.001 . 1 . . . . 284 Thr CB . 17445 1 953 . 1 1 133 133 THR N N 15 116.145 0.006 . 1 . . . . 284 Thr N . 17445 1 954 . 1 1 134 134 LEU H H 1 8.036 0.001 . 1 . . . . 285 Leu H . 17445 1 955 . 1 1 134 134 LEU HA H 1 4.141 0.001 . 1 . . . . 285 Leu HA . 17445 1 956 . 1 1 134 134 LEU HB2 H 1 1.431 0.001 . 2 . . . . 285 Leu HB2 . 17445 1 957 . 1 1 134 134 LEU HB3 H 1 1.389 0.001 . 2 . . . . 285 Leu HB3 . 17445 1 958 . 1 1 134 134 LEU C C 13 177.350 0.001 . 1 . . . . 285 Leu C . 17445 1 959 . 1 1 134 134 LEU CA C 13 55.170 0.001 . 1 . . . . 285 Leu CA . 17445 1 960 . 1 1 134 134 LEU CB C 13 42.132 0.001 . 1 . . . . 285 Leu CB . 17445 1 961 . 1 1 134 134 LEU N N 15 124.247 0.007 . 1 . . . . 285 Leu N . 17445 1 962 . 1 1 135 135 GLU H H 1 8.241 0.002 . 1 . . . . 286 Glu H . 17445 1 963 . 1 1 135 135 GLU HA H 1 4.086 0.001 . 1 . . . . 286 Glu HA . 17445 1 964 . 1 1 135 135 GLU HB3 H 1 1.740 0.001 . 2 . . . . 286 Glu HB3 . 17445 1 965 . 1 1 135 135 GLU C C 13 176.268 0.001 . 1 . . . . 286 Glu C . 17445 1 966 . 1 1 135 135 GLU N N 15 121.767 0.020 . 1 . . . . 286 Glu N . 17445 1 967 . 1 1 136 136 SER H H 1 8.102 0.001 . 1 . . . . 287 Ser H . 17445 1 968 . 1 1 136 136 SER HA H 1 4.218 0.001 . 1 . . . . 287 Ser HA . 17445 1 969 . 1 1 136 136 SER HB3 H 1 3.636 0.001 . 2 . . . . 287 Ser HB3 . 17445 1 970 . 1 1 136 136 SER C C 13 173.624 0.006 . 1 . . . . 287 Ser C . 17445 1 971 . 1 1 136 136 SER CA C 13 57.923 0.002 . 1 . . . . 287 Ser CA . 17445 1 972 . 1 1 136 136 SER CB C 13 63.718 0.001 . 1 . . . . 287 Ser CB . 17445 1 973 . 1 1 136 136 SER N N 15 116.737 0.012 . 1 . . . . 287 Ser N . 17445 1 974 . 1 1 137 137 ALA H H 1 8.175 0.001 . 1 . . . . 288 Ala H . 17445 1 975 . 1 1 137 137 ALA HA H 1 4.412 0.001 . 1 . . . . 288 Ala HA . 17445 1 976 . 1 1 137 137 ALA HB1 H 1 1.149 0.001 . 1 . . . . 288 Ala HB1 . 17445 1 977 . 1 1 137 137 ALA HB2 H 1 1.149 0.001 . 1 . . . . 288 Ala HB2 . 17445 1 978 . 1 1 137 137 ALA HB3 H 1 1.149 0.001 . 1 . . . . 288 Ala HB3 . 17445 1 979 . 1 1 137 137 ALA C C 13 175.480 0.001 . 1 . . . . 288 Ala C . 17445 1 980 . 1 1 137 137 ALA CA C 13 50.438 0.001 . 1 . . . . 288 Ala CA . 17445 1 981 . 1 1 137 137 ALA CB C 13 17.990 0.001 . 1 . . . . 288 Ala CB . 17445 1 982 . 1 1 137 137 ALA N N 15 127.009 0.003 . 1 . . . . 288 Ala N . 17445 1 983 . 1 1 138 138 PRO HA H 1 4.183 0.001 . 1 . . . . 289 Pro HA . 17445 1 984 . 1 1 138 138 PRO HB2 H 1 2.063 0.001 . 2 . . . . 289 Pro HB2 . 17445 1 985 . 1 1 138 138 PRO HB3 H 1 1.689 0.001 . 2 . . . . 289 Pro HB3 . 17445 1 986 . 1 1 138 138 PRO C C 13 176.794 0.001 . 1 . . . . 289 Pro C . 17445 1 987 . 1 1 138 138 PRO CA C 13 63.138 0.001 . 1 . . . . 289 Pro CA . 17445 1 988 . 1 1 138 138 PRO CB C 13 31.760 0.001 . 1 . . . . 289 Pro CB . 17445 1 989 . 1 1 139 139 ASN H H 1 8.383 0.001 . 1 . . . . 290 Asn H . 17445 1 990 . 1 1 139 139 ASN HA H 1 4.478 0.001 . 1 . . . . 290 Asn HA . 17445 1 991 . 1 1 139 139 ASN HB3 H 1 2.605 0.001 . 2 . . . . 290 Asn HB3 . 17445 1 992 . 1 1 139 139 ASN C C 13 175.711 0.003 . 1 . . . . 290 Asn C . 17445 1 993 . 1 1 139 139 ASN CA C 13 52.995 0.006 . 1 . . . . 290 Asn CA . 17445 1 994 . 1 1 139 139 ASN CB C 13 38.774 0.002 . 1 . . . . 290 Asn CB . 17445 1 995 . 1 1 139 139 ASN N N 15 118.447 0.004 . 1 . . . . 290 Asn N . 17445 1 996 . 1 1 140 140 GLY H H 1 8.211 0.001 . 1 . . . . 291 Gly H . 17445 1 997 . 1 1 140 140 GLY HA3 H 1 3.757 0.001 . 2 . . . . 291 Gly HA3 . 17445 1 998 . 1 1 140 140 GLY C C 13 174.064 0.001 . 1 . . . . 291 Gly C . 17445 1 999 . 1 1 140 140 GLY CA C 13 45.289 0.012 . 1 . . . . 291 Gly CA . 17445 1 1000 . 1 1 140 140 GLY N N 15 109.194 0.007 . 1 . . . . 291 Gly N . 17445 1 1001 . 1 1 141 141 LYS H H 1 8.021 0.001 . 1 . . . . 292 Lys H . 17445 1 1002 . 1 1 141 141 LYS HA H 1 4.080 0.001 . 1 . . . . 292 Lys HA . 17445 1 1003 . 1 1 141 141 LYS HB2 H 1 1.515 0.001 . 2 . . . . 292 Lys HB2 . 17445 1 1004 . 1 1 141 141 LYS HB3 H 1 1.478 0.001 . 2 . . . . 292 Lys HB3 . 17445 1 1005 . 1 1 141 141 LYS C C 13 176.174 0.001 . 1 . . . . 292 Lys C . 17445 1 1006 . 1 1 141 141 LYS CA C 13 56.097 0.001 . 1 . . . . 292 Lys CA . 17445 1 1007 . 1 1 141 141 LYS CB C 13 32.786 0.001 . 1 . . . . 292 Lys CB . 17445 1 1008 . 1 1 141 141 LYS N N 15 120.464 0.005 . 1 . . . . 292 Lys N . 17445 1 1009 . 1 1 142 142 ASP H H 1 8.205 0.001 . 1 . . . . 293 Asp H . 17445 1 1010 . 1 1 142 142 ASP HA H 1 4.341 0.001 . 1 . . . . 293 Asp HA . 17445 1 1011 . 1 1 142 142 ASP HB2 H 1 2.442 0.001 . 2 . . . . 293 Asp HB2 . 17445 1 1012 . 1 1 142 142 ASP HB3 H 1 2.338 0.001 . 2 . . . . 293 Asp HB3 . 17445 1 1013 . 1 1 142 142 ASP C C 13 175.829 0.002 . 1 . . . . 293 Asp C . 17445 1 1014 . 1 1 142 142 ASP CA C 13 54.252 0.001 . 1 . . . . 293 Asp CA . 17445 1 1015 . 1 1 142 142 ASP CB C 13 40.685 0.014 . 1 . . . . 293 Asp CB . 17445 1 1016 . 1 1 142 142 ASP N N 15 120.773 0.008 . 1 . . . . 293 Asp N . 17445 1 1017 . 1 1 143 143 TYR H H 1 7.861 0.001 . 1 . . . . 294 Tyr H . 17445 1 1018 . 1 1 143 143 TYR HA H 1 4.300 0.001 . 1 . . . . 294 Tyr HA . 17445 1 1019 . 1 1 143 143 TYR HB2 H 1 2.844 0.001 . 2 . . . . 294 Tyr HB2 . 17445 1 1020 . 1 1 143 143 TYR HB3 H 1 2.756 0.001 . 2 . . . . 294 Tyr HB3 . 17445 1 1021 . 1 1 143 143 TYR C C 13 175.601 0.003 . 1 . . . . 294 Tyr C . 17445 1 1022 . 1 1 143 143 TYR CA C 13 57.913 0.008 . 1 . . . . 294 Tyr CA . 17445 1 1023 . 1 1 143 143 TYR CB C 13 38.550 0.002 . 1 . . . . 294 Tyr CB . 17445 1 1024 . 1 1 143 143 TYR N N 15 119.914 0.003 . 1 . . . . 294 Tyr N . 17445 1 1025 . 1 1 144 144 GLU H H 1 8.073 0.002 . 1 . . . . 295 Glu H . 17445 1 1026 . 1 1 144 144 GLU HA H 1 4.071 0.001 . 1 . . . . 295 Glu HA . 17445 1 1027 . 1 1 144 144 GLU HB2 H 1 1.812 0.001 . 2 . . . . 295 Glu HB2 . 17445 1 1028 . 1 1 144 144 GLU HB3 H 1 1.699 0.001 . 2 . . . . 295 Glu HB3 . 17445 1 1029 . 1 1 144 144 GLU C C 13 176.031 0.003 . 1 . . . . 295 Glu C . 17445 1 1030 . 1 1 144 144 GLU CA C 13 56.132 0.003 . 1 . . . . 295 Glu CA . 17445 1 1031 . 1 1 144 144 GLU CB C 13 30.313 0.013 . 1 . . . . 295 Glu CB . 17445 1 1032 . 1 1 144 144 GLU N N 15 122.384 0.031 . 1 . . . . 295 Glu N . 17445 1 1033 . 1 1 145 145 SER H H 1 8.150 0.001 . 1 . . . . 296 Ser H . 17445 1 1034 . 1 1 145 145 SER HA H 1 4.284 0.001 . 1 . . . . 296 Ser HA . 17445 1 1035 . 1 1 145 145 SER HB2 H 1 3.715 0.001 . 2 . . . . 296 Ser HB2 . 17445 1 1036 . 1 1 145 145 SER HB3 H 1 3.657 0.001 . 2 . . . . 296 Ser HB3 . 17445 1 1037 . 1 1 145 145 SER C C 13 174.788 0.001 . 1 . . . . 296 Ser C . 17445 1 1038 . 1 1 145 145 SER CA C 13 58.169 0.065 . 1 . . . . 296 Ser CA . 17445 1 1039 . 1 1 145 145 SER CB C 13 63.555 0.016 . 1 . . . . 296 Ser CB . 17445 1 1040 . 1 1 145 145 SER N N 15 116.863 0.010 . 1 . . . . 296 Ser N . 17445 1 1041 . 1 1 146 146 THR H H 1 8.096 0.002 . 1 . . . . 297 Thr H . 17445 1 1042 . 1 1 146 146 THR HA H 1 4.147 0.001 . 1 . . . . 297 Thr HA . 17445 1 1043 . 1 1 146 146 THR HB H 1 4.057 0.001 . 1 . . . . 297 Thr HB . 17445 1 1044 . 1 1 146 146 THR C C 13 174.311 0.004 . 1 . . . . 297 Thr C . 17445 1 1045 . 1 1 146 146 THR CA C 13 61.759 0.044 . 1 . . . . 297 Thr CA . 17445 1 1046 . 1 1 146 146 THR CB C 13 69.452 0.006 . 1 . . . . 297 Thr CB . 17445 1 1047 . 1 1 146 146 THR N N 15 116.158 0.021 . 1 . . . . 297 Thr N . 17445 1 1048 . 1 1 147 147 GLU H H 1 8.183 0.001 . 1 . . . . 298 Glu H . 17445 1 1049 . 1 1 147 147 GLU HA H 1 4.085 0.001 . 1 . . . . 298 Glu HA . 17445 1 1050 . 1 1 147 147 GLU HB2 H 1 1.799 0.001 . 2 . . . . 298 Glu HB2 . 17445 1 1051 . 1 1 147 147 GLU HB3 H 1 1.694 0.001 . 2 . . . . 298 Glu HB3 . 17445 1 1052 . 1 1 147 147 GLU C C 13 175.974 0.001 . 1 . . . . 298 Glu C . 17445 1 1053 . 1 1 147 147 GLU CA C 13 56.257 0.005 . 1 . . . . 298 Glu CA . 17445 1 1054 . 1 1 147 147 GLU CB C 13 30.118 0.021 . 1 . . . . 298 Glu CB . 17445 1 1055 . 1 1 147 147 GLU N N 15 123.481 0.009 . 1 . . . . 298 Glu N . 17445 1 1056 . 1 1 148 148 ILE H H 1 8.120 0.001 . 1 . . . . 299 Ile H . 17445 1 1057 . 1 1 148 148 ILE HA H 1 3.934 0.001 . 1 . . . . 299 Ile HA . 17445 1 1058 . 1 1 148 148 ILE HB H 1 1.618 0.001 . 1 . . . . 299 Ile HB . 17445 1 1059 . 1 1 148 148 ILE C C 13 176.063 0.001 . 1 . . . . 299 Ile C . 17445 1 1060 . 1 1 148 148 ILE CA C 13 60.743 0.013 . 1 . . . . 299 Ile CA . 17445 1 1061 . 1 1 148 148 ILE CB C 13 38.245 0.014 . 1 . . . . 299 Ile CB . 17445 1 1062 . 1 1 148 148 ILE N N 15 123.400 0.015 . 1 . . . . 299 Ile N . 17445 1 1063 . 1 1 149 149 VAL H H 1 8.188 0.001 . 1 . . . . 300 Val H . 17445 1 1064 . 1 1 149 149 VAL HA H 1 3.880 0.001 . 1 . . . . 300 Val HA . 17445 1 1065 . 1 1 149 149 VAL HB H 1 1.820 0.001 . 1 . . . . 300 Val HB . 17445 1 1066 . 1 1 149 149 VAL C C 13 175.541 0.003 . 1 . . . . 300 Val C . 17445 1 1067 . 1 1 149 149 VAL CA C 13 61.883 0.011 . 1 . . . . 300 Val CA . 17445 1 1068 . 1 1 149 149 VAL CB C 13 32.501 0.013 . 1 . . . . 300 Val CB . 17445 1 1069 . 1 1 149 149 VAL N N 15 126.350 0.009 . 1 . . . . 300 Val N . 17445 1 1070 . 1 1 150 150 ALA H H 1 8.317 0.001 . 1 . . . . 301 Ala H . 17445 1 1071 . 1 1 150 150 ALA HA H 1 4.107 0.001 . 1 . . . . 301 Ala HA . 17445 1 1072 . 1 1 150 150 ALA HB1 H 1 1.175 0.001 . 1 . . . . 301 Ala HB1 . 17445 1 1073 . 1 1 150 150 ALA HB2 H 1 1.175 0.001 . 1 . . . . 301 Ala HB2 . 17445 1 1074 . 1 1 150 150 ALA HB3 H 1 1.175 0.001 . 1 . . . . 301 Ala HB3 . 17445 1 1075 . 1 1 150 150 ALA C C 13 177.451 0.001 . 1 . . . . 301 Ala C . 17445 1 1076 . 1 1 150 150 ALA CA C 13 52.136 0.001 . 1 . . . . 301 Ala CA . 17445 1 1077 . 1 1 150 150 ALA CB C 13 19.132 0.001 . 1 . . . . 301 Ala CB . 17445 1 1078 . 1 1 150 150 ALA N N 15 129.007 0.005 . 1 . . . . 301 Ala N . 17445 1 1079 . 1 1 151 151 GLU H H 1 8.289 0.001 . 1 . . . . 302 Glu H . 17445 1 1080 . 1 1 151 151 GLU HA H 1 4.030 0.001 . 1 . . . . 302 Glu HA . 17445 1 1081 . 1 1 151 151 GLU HB2 H 1 1.819 0.001 . 2 . . . . 302 Glu HB2 . 17445 1 1082 . 1 1 151 151 GLU HB3 H 1 1.731 0.001 . 2 . . . . 302 Glu HB3 . 17445 1 1083 . 1 1 151 151 GLU C C 13 176.447 0.001 . 1 . . . . 302 Glu C . 17445 1 1084 . 1 1 151 151 GLU CA C 13 56.410 0.016 . 1 . . . . 302 Glu CA . 17445 1 1085 . 1 1 151 151 GLU CB C 13 30.270 0.027 . 1 . . . . 302 Glu CB . 17445 1 1086 . 1 1 151 151 GLU N N 15 121.036 0.012 . 1 . . . . 302 Glu N . 17445 1 1087 . 1 1 152 152 GLU H H 1 8.422 0.001 . 1 . . . . 303 Glu H . 17445 1 1088 . 1 1 152 152 GLU HA H 1 4.121 0.001 . 1 . . . . 303 Glu HA . 17445 1 1089 . 1 1 152 152 GLU HB2 H 1 1.844 0.001 . 2 . . . . 303 Glu HB2 . 17445 1 1090 . 1 1 152 152 GLU HB3 H 1 1.755 0.001 . 2 . . . . 303 Glu HB3 . 17445 1 1091 . 1 1 152 152 GLU C C 13 176.465 0.001 . 1 . . . . 303 Glu C . 17445 1 1092 . 1 1 152 152 GLU CA C 13 56.389 0.005 . 1 . . . . 303 Glu CA . 17445 1 1093 . 1 1 152 152 GLU CB C 13 30.179 0.016 . 1 . . . . 303 Glu CB . 17445 1 1094 . 1 1 152 152 GLU N N 15 122.401 0.002 . 1 . . . . 303 Glu N . 17445 1 1095 . 1 1 153 153 THR H H 1 8.135 0.001 . 1 . . . . 304 Thr H . 17445 1 1096 . 1 1 153 153 THR HA H 1 4.089 0.001 . 1 . . . . 304 Thr HA . 17445 1 1097 . 1 1 153 153 THR HB H 1 3.953 0.001 . 1 . . . . 304 Thr HB . 17445 1 1098 . 1 1 153 153 THR C C 13 174.104 0.001 . 1 . . . . 304 Thr C . 17445 1 1099 . 1 1 153 153 THR CA C 13 61.779 0.015 . 1 . . . . 304 Thr CA . 17445 1 1100 . 1 1 153 153 THR CB C 13 69.558 0.003 . 1 . . . . 304 Thr CB . 17445 1 1101 . 1 1 153 153 THR N N 15 116.410 0.006 . 1 . . . . 304 Thr N . 17445 1 1102 . 1 1 154 154 LYS H H 1 8.197 0.001 . 1 . . . . 305 Lys H . 17445 1 1103 . 1 1 154 154 LYS HA H 1 4.420 0.001 . 1 . . . . 305 Lys HA . 17445 1 1104 . 1 1 154 154 LYS HB2 H 1 1.531 0.001 . 2 . . . . 305 Lys HB2 . 17445 1 1105 . 1 1 154 154 LYS HB3 H 1 1.615 0.001 . 2 . . . . 305 Lys HB3 . 17445 1 1106 . 1 1 154 154 LYS C C 13 174.202 0.001 . 1 . . . . 305 Lys C . 17445 1 1107 . 1 1 154 154 LYS CA C 13 54.014 0.001 . 1 . . . . 305 Lys CA . 17445 1 1108 . 1 1 154 154 LYS CB C 13 32.303 0.001 . 1 . . . . 305 Lys CB . 17445 1 1109 . 1 1 154 154 LYS N N 15 125.685 0.007 . 1 . . . . 305 Lys N . 17445 1 1110 . 1 1 155 155 PRO HA H 1 4.211 0.001 . 1 . . . . 306 Pro HA . 17445 1 1111 . 1 1 155 155 PRO HB2 H 1 2.110 0.001 . 2 . . . . 306 Pro HB2 . 17445 1 1112 . 1 1 155 155 PRO HB3 H 1 1.695 0.001 . 2 . . . . 306 Pro HB3 . 17445 1 1113 . 1 1 155 155 PRO C C 13 176.764 0.001 . 1 . . . . 306 Pro C . 17445 1 1114 . 1 1 155 155 PRO CA C 13 62.756 0.001 . 1 . . . . 306 Pro CA . 17445 1 1115 . 1 1 155 155 PRO CB C 13 32.001 0.001 . 1 . . . . 306 Pro CB . 17445 1 1116 . 1 1 156 156 LYS H H 1 8.363 0.001 . 1 . . . . 307 Lys H . 17445 1 1117 . 1 1 156 156 LYS HA H 1 4.078 0.001 . 1 . . . . 307 Lys HA . 17445 1 1118 . 1 1 156 156 LYS HB2 H 1 1.629 0.001 . 2 . . . . 307 Lys HB2 . 17445 1 1119 . 1 1 156 156 LYS HB3 H 1 1.554 0.001 . 2 . . . . 307 Lys HB3 . 17445 1 1120 . 1 1 156 156 LYS C C 13 176.512 0.001 . 1 . . . . 307 Lys C . 17445 1 1121 . 1 1 156 156 LYS CA C 13 56.146 0.032 . 1 . . . . 307 Lys CA . 17445 1 1122 . 1 1 156 156 LYS CB C 13 32.920 0.021 . 1 . . . . 307 Lys CB . 17445 1 1123 . 1 1 156 156 LYS N N 15 121.962 0.004 . 1 . . . . 307 Lys N . 17445 1 1124 . 1 1 157 157 ASP H H 1 8.303 0.002 . 1 . . . . 308 Asp H . 17445 1 1125 . 1 1 157 157 ASP HA H 1 4.412 0.001 . 1 . . . . 308 Asp HA . 17445 1 1126 . 1 1 157 157 ASP HB2 H 1 2.531 0.001 . 2 . . . . 308 Asp HB2 . 17445 1 1127 . 1 1 157 157 ASP HB3 H 1 2.433 0.001 . 2 . . . . 308 Asp HB3 . 17445 1 1128 . 1 1 157 157 ASP C C 13 176.476 0.001 . 1 . . . . 308 Asp C . 17445 1 1129 . 1 1 157 157 ASP CA C 13 54.462 0.017 . 1 . . . . 308 Asp CA . 17445 1 1130 . 1 1 157 157 ASP CB C 13 40.818 0.010 . 1 . . . . 308 Asp CB . 17445 1 1131 . 1 1 157 157 ASP N N 15 121.685 0.009 . 1 . . . . 308 Asp N . 17445 1 1132 . 1 1 158 158 THR H H 1 7.951 0.001 . 1 . . . . 309 Thr H . 17445 1 1133 . 1 1 158 158 THR HA H 1 4.067 0.001 . 1 . . . . 309 Thr HA . 17445 1 1134 . 1 1 158 158 THR C C 13 174.591 0.003 . 1 . . . . 309 Thr C . 17445 1 1135 . 1 1 158 158 THR CA C 13 61.993 0.004 . 1 . . . . 309 Thr CA . 17445 1 1136 . 1 1 158 158 THR CB C 13 69.462 0.002 . 1 . . . . 309 Thr CB . 17445 1 1137 . 1 1 158 158 THR N N 15 113.884 0.003 . 1 . . . . 309 Thr N . 17445 1 1138 . 1 1 159 159 GLU H H 1 8.269 0.002 . 1 . . . . 310 Glu H . 17445 1 1139 . 1 1 159 159 GLU HA H 1 4.084 0.001 . 1 . . . . 310 Glu HA . 17445 1 1140 . 1 1 159 159 GLU HB2 H 1 1.864 0.001 . 2 . . . . 310 Glu HB2 . 17445 1 1141 . 1 1 159 159 GLU HB3 H 1 1.762 0.001 . 2 . . . . 310 Glu HB3 . 17445 1 1142 . 1 1 159 159 GLU C C 13 176.400 0.001 . 1 . . . . 310 Glu C . 17445 1 1143 . 1 1 159 159 GLU CA C 13 56.428 0.023 . 1 . . . . 310 Glu CA . 17445 1 1144 . 1 1 159 159 GLU CB C 13 29.990 0.052 . 1 . . . . 310 Glu CB . 17445 1 1145 . 1 1 159 159 GLU N N 15 123.065 0.005 . 1 . . . . 310 Glu N . 17445 1 1146 . 1 1 160 160 LEU H H 1 8.087 0.001 . 1 . . . . 311 Leu H . 17445 1 1147 . 1 1 160 160 LEU HA H 1 4.158 0.001 . 1 . . . . 311 Leu HA . 17445 1 1148 . 1 1 160 160 LEU HB2 H 1 1.453 0.001 . 2 . . . . 311 Leu HB2 . 17445 1 1149 . 1 1 160 160 LEU HB3 H 1 1.383 0.001 . 2 . . . . 311 Leu HB3 . 17445 1 1150 . 1 1 160 160 LEU C C 13 177.395 0.001 . 1 . . . . 311 Leu C . 17445 1 1151 . 1 1 160 160 LEU CA C 13 54.994 0.011 . 1 . . . . 311 Leu CA . 17445 1 1152 . 1 1 160 160 LEU CB C 13 42.086 0.007 . 1 . . . . 311 Leu CB . 17445 1 1153 . 1 1 160 160 LEU N N 15 122.939 0.011 . 1 . . . . 311 Leu N . 17445 1 1154 . 1 1 161 161 SER H H 1 8.190 0.001 . 1 . . . . 312 Ser H . 17445 1 1155 . 1 1 161 161 SER HA H 1 4.214 0.001 . 1 . . . . 312 Ser HA . 17445 1 1156 . 1 1 161 161 SER HB2 H 1 3.682 0.001 . 2 . . . . 312 Ser HB2 . 17445 1 1157 . 1 1 161 161 SER HB3 H 1 3.644 0.001 . 2 . . . . 312 Ser HB3 . 17445 1 1158 . 1 1 161 161 SER C C 13 174.486 0.001 . 1 . . . . 312 Ser C . 17445 1 1159 . 1 1 161 161 SER CA C 13 58.201 0.006 . 1 . . . . 312 Ser CA . 17445 1 1160 . 1 1 161 161 SER CB C 13 63.533 0.001 . 1 . . . . 312 Ser CB . 17445 1 1161 . 1 1 161 161 SER N N 15 116.770 0.012 . 1 . . . . 312 Ser N . 17445 1 1162 . 1 1 162 162 GLN H H 1 8.327 0.002 . 1 . . . . 313 Gln H . 17445 1 1163 . 1 1 162 162 GLN HA H 1 4.184 0.001 . 1 . . . . 313 Gln HA . 17445 1 1164 . 1 1 162 162 GLN HB2 H 1 1.949 0.001 . 2 . . . . 313 Gln HB2 . 17445 1 1165 . 1 1 162 162 GLN HB3 H 1 1.769 0.001 . 2 . . . . 313 Gln HB3 . 17445 1 1166 . 1 1 162 162 GLN C C 13 175.996 0.001 . 1 . . . . 313 Gln C . 17445 1 1167 . 1 1 162 162 GLN CA C 13 55.508 0.015 . 1 . . . . 313 Gln CA . 17445 1 1168 . 1 1 162 162 GLN CB C 13 29.414 0.001 . 1 . . . . 313 Gln CB . 17445 1 1169 . 1 1 162 162 GLN N N 15 122.216 0.018 . 1 . . . . 313 Gln N . 17445 1 1170 . 1 1 163 163 GLU H H 1 8.329 0.002 . 1 . . . . 314 Glu H . 17445 1 1171 . 1 1 163 163 GLU HA H 1 4.072 0.001 . 1 . . . . 314 Glu HA . 17445 1 1172 . 1 1 163 163 GLU HB2 H 1 1.873 0.001 . 2 . . . . 314 Glu HB2 . 17445 1 1173 . 1 1 163 163 GLU HB3 H 1 1.747 0.001 . 2 . . . . 314 Glu HB3 . 17445 1 1174 . 1 1 163 163 GLU C C 13 176.612 0.003 . 1 . . . . 314 Glu C . 17445 1 1175 . 1 1 163 163 GLU CA C 13 56.688 0.003 . 1 . . . . 314 Glu CA . 17445 1 1176 . 1 1 163 163 GLU CB C 13 29.989 0.001 . 1 . . . . 314 Glu CB . 17445 1 1177 . 1 1 163 163 GLU N N 15 121.977 0.029 . 1 . . . . 314 Glu N . 17445 1 1178 . 1 1 164 164 SER H H 1 8.200 0.001 . 1 . . . . 315 Ser H . 17445 1 1179 . 1 1 164 164 SER HA H 1 4.188 0.001 . 1 . . . . 315 Ser HA . 17445 1 1180 . 1 1 164 164 SER HB2 H 1 3.662 0.001 . 2 . . . . 315 Ser HB2 . 17445 1 1181 . 1 1 164 164 SER HB3 H 1 3.578 0.001 . 2 . . . . 315 Ser HB3 . 17445 1 1182 . 1 1 164 164 SER C C 13 174.093 0.001 . 1 . . . . 315 Ser C . 17445 1 1183 . 1 1 164 164 SER CA C 13 58.342 0.005 . 1 . . . . 315 Ser CA . 17445 1 1184 . 1 1 164 164 SER CB C 13 63.652 0.020 . 1 . . . . 315 Ser CB . 17445 1 1185 . 1 1 164 164 SER N N 15 116.228 0.010 . 1 . . . . 315 Ser N . 17445 1 1186 . 1 1 165 165 ASP H H 1 8.157 0.002 . 1 . . . . 316 Asp H . 17445 1 1187 . 1 1 165 165 ASP HA H 1 4.362 0.001 . 1 . . . . 316 Asp HA . 17445 1 1188 . 1 1 165 165 ASP C C 13 175.717 0.002 . 1 . . . . 316 Asp C . 17445 1 1189 . 1 1 165 165 ASP CA C 13 54.160 0.004 . 1 . . . . 316 Asp CA . 17445 1 1190 . 1 1 165 165 ASP CB C 13 40.785 0.008 . 1 . . . . 316 Asp CB . 17445 1 1191 . 1 1 165 165 ASP N N 15 122.172 0.016 . 1 . . . . 316 Asp N . 17445 1 1192 . 1 1 166 166 PHE H H 1 7.971 0.001 . 1 . . . . 317 Phe H . 17445 1 1193 . 1 1 166 166 PHE HA H 1 4.337 0.001 . 1 . . . . 317 Phe HA . 17445 1 1194 . 1 1 166 166 PHE HB3 H 1 2.871 0.001 . 2 . . . . 317 Phe HB3 . 17445 1 1195 . 1 1 166 166 PHE C C 13 175.389 0.002 . 1 . . . . 317 Phe C . 17445 1 1196 . 1 1 166 166 PHE CA C 13 57.840 0.011 . 1 . . . . 317 Phe CA . 17445 1 1197 . 1 1 166 166 PHE CB C 13 39.126 0.008 . 1 . . . . 317 Phe CB . 17445 1 1198 . 1 1 166 166 PHE N N 15 120.522 0.005 . 1 . . . . 317 Phe N . 17445 1 1199 . 1 1 167 167 LYS H H 1 7.924 0.001 . 1 . . . . 318 Lys H . 17445 1 1200 . 1 1 167 167 LYS HA H 1 4.057 0.001 . 1 . . . . 318 Lys HA . 17445 1 1201 . 1 1 167 167 LYS HB2 H 1 1.536 0.001 . 2 . . . . 318 Lys HB2 . 17445 1 1202 . 1 1 167 167 LYS HB3 H 1 1.465 0.001 . 2 . . . . 318 Lys HB3 . 17445 1 1203 . 1 1 167 167 LYS C C 13 175.908 0.001 . 1 . . . . 318 Lys C . 17445 1 1204 . 1 1 167 167 LYS CA C 13 55.592 0.002 . 1 . . . . 318 Lys CA . 17445 1 1205 . 1 1 167 167 LYS CB C 13 33.047 0.001 . 1 . . . . 318 Lys CB . 17445 1 1206 . 1 1 167 167 LYS N N 15 123.961 0.003 . 1 . . . . 318 Lys N . 17445 1 1207 . 1 1 168 168 GLU H H 1 8.253 0.002 . 1 . . . . 319 Glu H . 17445 1 1208 . 1 1 168 168 GLU HA H 1 3.962 0.001 . 1 . . . . 319 Glu HA . 17445 1 1209 . 1 1 168 168 GLU C C 13 176.165 0.001 . 1 . . . . 319 Glu C . 17445 1 1210 . 1 1 168 168 GLU CA C 13 56.673 0.010 . 1 . . . . 319 Glu CA . 17445 1 1211 . 1 1 168 168 GLU CB C 13 29.913 0.005 . 1 . . . . 319 Glu CB . 17445 1 1212 . 1 1 168 168 GLU N N 15 122.291 0.009 . 1 . . . . 319 Glu N . 17445 1 1213 . 1 1 169 169 ASN H H 1 8.354 0.001 . 1 . . . . 320 Asn H . 17445 1 1214 . 1 1 169 169 ASN HA H 1 4.539 0.001 . 1 . . . . 320 Asn HA . 17445 1 1215 . 1 1 169 169 ASN HB2 H 1 2.654 0.001 . 2 . . . . 320 Asn HB2 . 17445 1 1216 . 1 1 169 169 ASN HB3 H 1 2.532 0.001 . 2 . . . . 320 Asn HB3 . 17445 1 1217 . 1 1 169 169 ASN C C 13 174.506 0.002 . 1 . . . . 320 Asn C . 17445 1 1218 . 1 1 169 169 ASN CA C 13 53.096 0.008 . 1 . . . . 320 Asn CA . 17445 1 1219 . 1 1 169 169 ASN CB C 13 39.067 0.005 . 1 . . . . 320 Asn CB . 17445 1 1220 . 1 1 169 169 ASN N N 15 119.417 0.021 . 1 . . . . 320 Asn N . 17445 1 1221 . 1 1 170 170 GLY H H 1 7.814 0.001 . 1 . . . . 321 Gly H . 17445 1 1222 . 1 1 170 170 GLY HA3 H 1 3.537 0.001 . 2 . . . . 321 Gly HA3 . 17445 1 1223 . 1 1 170 170 GLY C C 13 178.834 0.001 . 1 . . . . 321 Gly C . 17445 1 1224 . 1 1 170 170 GLY CA C 13 46.026 0.001 . 1 . . . . 321 Gly CA . 17445 1 1225 . 1 1 170 170 GLY N N 15 115.119 0.006 . 1 . . . . 321 Gly N . 17445 1 stop_ save_