data_25021 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25021 _Entry.Title ; Backbone chemical shifts of murine Roquin-1 ROQ domain (147-326), apo form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-13 _Entry.Accession_date 2014-06-13 _Entry.Last_release_date . _Entry.Original_release_date . _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 'Backbone chemical shifts of murine Roquin-1 ROQ domain (147-326), apo form' _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 Andreas Schlundt . . . 25021 2 Michael Sattler . . . 25021 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25021 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 148 25021 '13C chemical shifts' 439 25021 '15N chemical shifts' 148 25021 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 3 . . 2014-09-26 2014-06-13 update BMRB 'update entry citation' 25021 2 . . 2014-07-17 2014-06-13 update author 'update chemical shifts' 25021 1 . . 2014-07-01 2014-06-13 original author 'original release' 25021 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19996 'Roquin-1 ROQ domain in complex with Tnf CDE RNA' 25021 PDB 4QI2 'Crystal structure of ROQ domain in complex with Tnf CDE RNA' 25021 PDB 4QI0 'Crystal structure of ROQ domain' 25021 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25021 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/nsmb.2855 _Citation.PubMed_ID 25026077 _Citation.Full_citation . _Citation.Title 'Structural basis for RNA recognition in roquin-mediated post-transcriptional gene regulation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 21 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1545-9985 _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 671 _Citation.Page_last 678 _Citation.Year 2014 _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 Andreas Schlundt A. . . 25021 1 2 Gitta Heinz G. A. . 25021 1 3 Robert Janowski R. . . 25021 1 4 Arie Geerlof A. . . 25021 1 5 Ralf Stehle R. . . 25021 1 6 Vigo Heissmeyer V. . . 25021 1 7 Dierk Niessing D. . . 25021 1 8 Michael Sattler M. . . 25021 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25021 _Assembly.ID 1 _Assembly.Name 'ROQ domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 20758.8 _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 ROQ 1 $ROQ_domain_of_Roquin-1 A . yes native no no . . . 25021 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ROQ_domain_of_Roquin-1 _Entity.Sf_category entity _Entity.Sf_framecode ROQ_domain_of_Roquin-1 _Entity.Entry_ID 25021 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ROQ_domain_of_Roquin-1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMEEEGRIRAMRAARSLGE RTVTELILQHQNPQQLSSNL WAAVRARGCQFLGPAMQEEA LKLVLLALEDGSALSRKVLV LFVVQRLEPRFPQASKTSIG HVVQLLYRASCFKVTKRDED SSLMQLKEEFRTYEALRREH DSQIVQIAMEAGLRIAPDQW SSLLYGDQSHKSHMQSIIDK LQT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 144-326 _Entity.Polymer_author_seq_details 'starts with 147' _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 183 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20758.8 _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 yes UNP Q4VGL6 . Roquin-1 . . . . . . . . . . . . . . 25021 1 2 no BMRB 19996 . ROQ_domain_of_Roquin-1 . . . . . 100.00 183 100.00 100.00 3.43e-129 . . . . 25021 1 3 no PDB 3X1O . "Crystal Structure Of The Roq Domain Of Human Roquin" . . . . . 98.91 208 99.45 100.00 1.10e-126 . . . . 25021 1 4 no PDB 4QI0 . "X-ray Structure Of The Roq Domain From Murine Roquin-1" . . . . . 98.36 180 100.00 100.00 1.12e-126 . . . . 25021 1 5 no PDB 4QI2 . "X-ray Structure Of The Roq Domain From Murine Roquin-1 In Complex With A 23-mer Tnf-cde Rna" . . . . . 98.36 180 100.00 100.00 1.12e-126 . . . . 25021 1 6 no PDB 4QIL . "Crystal Structure Of The Roq Domain Of Human Roquin In Complex With The Hmg19 Stem-loop Rna" . . . . . 98.91 330 99.45 100.00 1.24e-124 . . . . 25021 1 7 no PDB 4TXA . "Crystal Structure Of N-terminus Of Roquin" . . . . . 98.91 484 98.90 99.45 1.97e-121 . . . . 25021 1 8 no PDB 4ULW . "Crystal Structure Of The Roq-domain Of Human Roquin1" . . . . . 81.97 152 100.00 100.00 2.51e-103 . . . . 25021 1 9 no PDB 4YWQ . "Crystal Structure Of The Roq Domain Of Human Roquin-1" . . . . . 91.80 170 97.62 97.62 1.30e-113 . . . . 25021 1 10 no DBJ BAC23121 . "KIAA2025 protein [Homo sapiens]" . . . . . 98.91 1109 99.45 100.00 5.22e-118 . . . . 25021 1 11 no DBJ BAD32613 . "mKIAA2025 protein [Mus musculus]" . . . . . 98.91 1136 99.45 100.00 1.51e-117 . . . . 25021 1 12 no DBJ BAE24092 . "unnamed protein product [Mus musculus]" . . . . . 98.91 1130 99.45 100.00 1.68e-117 . . . . 25021 1 13 no DBJ BAG53813 . "unnamed protein product [Homo sapiens]" . . . . . 98.91 1125 99.45 100.00 6.08e-118 . . . . 25021 1 14 no EMBL CAG07670 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 98.91 983 98.34 99.45 5.45e-117 . . . . 25021 1 15 no EMBL CDQ65000 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 97.81 1246 97.21 98.88 8.35e-113 . . . . 25021 1 16 no EMBL CDQ67780 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 98.91 1110 97.79 98.90 2.40e-115 . . . . 25021 1 17 no EMBL CDQ69323 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 98.91 1123 98.34 99.45 1.02e-116 . . . . 25021 1 18 no GB AAH68669 . "MGC81061 protein [Xenopus laevis]" . . . . . 98.91 1114 99.45 100.00 1.84e-117 . . . . 25021 1 19 no GB AAI36785 . "Ring finger and CCCH-type zinc finger domains 1 [Homo sapiens]" . . . . . 98.91 1134 99.45 100.00 7.07e-118 . . . . 25021 1 20 no GB AAI38664 . "RING CCCH (C3H) domains 1 [Mus musculus]" . . . . . 98.91 1130 99.45 100.00 1.58e-117 . . . . 25021 1 21 no GB AAI44409 . "RC3H1 protein [Homo sapiens]" . . . . . 98.91 1124 99.45 100.00 5.92e-118 . . . . 25021 1 22 no GB AAI52932 . "RING CCCH (C3H) domains 1, partial [synthetic construct]" . . . . . 98.91 1130 99.45 100.00 1.58e-117 . . . . 25021 1 23 no REF NP_001020123 . "roquin-1 [Mus musculus]" . . . . . 98.91 1130 99.45 100.00 1.58e-117 . . . . 25021 1 24 no REF NP_001076328 . "roquin-1 [Danio rerio]" . . . . . 98.91 1078 98.90 99.45 5.74e-117 . . . . 25021 1 25 no REF NP_001084548 . "roquin-1 [Xenopus laevis]" . . . . . 98.91 1114 99.45 100.00 1.84e-117 . . . . 25021 1 26 no REF NP_001108155 . "roquin [Danio rerio]" . . . . . 98.91 1111 98.34 99.45 9.71e-117 . . . . 25021 1 27 no REF NP_001287779 . "roquin-1 isoform a [Homo sapiens]" . . . . . 98.91 1134 99.45 100.00 7.07e-118 . . . . 25021 1 28 no SP Q4VGL6 . "RecName: Full=Roquin-1; Short=Roquin; AltName: Full=Protein Sanroque; AltName: Full=RING finger and C3H zinc finger protein 1; " . . . . . 98.91 1130 99.45 100.00 1.58e-117 . . . . 25021 1 29 no SP Q5TC82 . "RecName: Full=Roquin-1; Short=Roquin; AltName: Full=RING finger and C3H zinc finger protein 1; AltName: Full=RING finger and CC" . . . . . 98.91 1133 99.45 100.00 7.33e-118 . . . . 25021 1 30 no SP Q6NUC6 . "RecName: Full=Roquin-1; AltName: Full=RING finger and C3H zinc finger protein 1; AltName: Full=RING finger and CCCH-type zinc f" . . . . . 98.91 1114 99.45 100.00 1.84e-117 . . . . 25021 1 31 no TPG DAA21174 . "TPA: hypothetical protein BOS_15973 [Bos taurus]" . . . . . 98.91 736 99.45 100.00 5.32e-121 . . . . 25021 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 1 144 GLY . 25021 1 2 145 ALA . 25021 1 3 146 MET . 25021 1 4 147 GLU . 25021 1 5 148 GLU . 25021 1 6 149 GLU . 25021 1 7 150 GLY . 25021 1 8 151 ARG . 25021 1 9 152 ILE . 25021 1 10 153 ARG . 25021 1 11 154 ALA . 25021 1 12 155 MET . 25021 1 13 156 ARG . 25021 1 14 157 ALA . 25021 1 15 158 ALA . 25021 1 16 159 ARG . 25021 1 17 160 SER . 25021 1 18 161 LEU . 25021 1 19 162 GLY . 25021 1 20 163 GLU . 25021 1 21 164 ARG . 25021 1 22 165 THR . 25021 1 23 166 VAL . 25021 1 24 167 THR . 25021 1 25 168 GLU . 25021 1 26 169 LEU . 25021 1 27 170 ILE . 25021 1 28 171 LEU . 25021 1 29 172 GLN . 25021 1 30 173 HIS . 25021 1 31 174 GLN . 25021 1 32 175 ASN . 25021 1 33 176 PRO . 25021 1 34 177 GLN . 25021 1 35 178 GLN . 25021 1 36 179 LEU . 25021 1 37 180 SER . 25021 1 38 181 SER . 25021 1 39 182 ASN . 25021 1 40 183 LEU . 25021 1 41 184 TRP . 25021 1 42 185 ALA . 25021 1 43 186 ALA . 25021 1 44 187 VAL . 25021 1 45 188 ARG . 25021 1 46 189 ALA . 25021 1 47 190 ARG . 25021 1 48 191 GLY . 25021 1 49 192 CYS . 25021 1 50 193 GLN . 25021 1 51 194 PHE . 25021 1 52 195 LEU . 25021 1 53 196 GLY . 25021 1 54 197 PRO . 25021 1 55 198 ALA . 25021 1 56 199 MET . 25021 1 57 200 GLN . 25021 1 58 201 GLU . 25021 1 59 202 GLU . 25021 1 60 203 ALA . 25021 1 61 204 LEU . 25021 1 62 205 LYS . 25021 1 63 206 LEU . 25021 1 64 207 VAL . 25021 1 65 208 LEU . 25021 1 66 209 LEU . 25021 1 67 210 ALA . 25021 1 68 211 LEU . 25021 1 69 212 GLU . 25021 1 70 213 ASP . 25021 1 71 214 GLY . 25021 1 72 215 SER . 25021 1 73 216 ALA . 25021 1 74 217 LEU . 25021 1 75 218 SER . 25021 1 76 219 ARG . 25021 1 77 220 LYS . 25021 1 78 221 VAL . 25021 1 79 222 LEU . 25021 1 80 223 VAL . 25021 1 81 224 LEU . 25021 1 82 225 PHE . 25021 1 83 226 VAL . 25021 1 84 227 VAL . 25021 1 85 228 GLN . 25021 1 86 229 ARG . 25021 1 87 230 LEU . 25021 1 88 231 GLU . 25021 1 89 232 PRO . 25021 1 90 233 ARG . 25021 1 91 234 PHE . 25021 1 92 235 PRO . 25021 1 93 236 GLN . 25021 1 94 237 ALA . 25021 1 95 238 SER . 25021 1 96 239 LYS . 25021 1 97 240 THR . 25021 1 98 241 SER . 25021 1 99 242 ILE . 25021 1 100 243 GLY . 25021 1 101 244 HIS . 25021 1 102 245 VAL . 25021 1 103 246 VAL . 25021 1 104 247 GLN . 25021 1 105 248 LEU . 25021 1 106 249 LEU . 25021 1 107 250 TYR . 25021 1 108 251 ARG . 25021 1 109 252 ALA . 25021 1 110 253 SER . 25021 1 111 254 CYS . 25021 1 112 255 PHE . 25021 1 113 256 LYS . 25021 1 114 257 VAL . 25021 1 115 258 THR . 25021 1 116 259 LYS . 25021 1 117 260 ARG . 25021 1 118 261 ASP . 25021 1 119 262 GLU . 25021 1 120 263 ASP . 25021 1 121 264 SER . 25021 1 122 265 SER . 25021 1 123 266 LEU . 25021 1 124 267 MET . 25021 1 125 268 GLN . 25021 1 126 269 LEU . 25021 1 127 270 LYS . 25021 1 128 271 GLU . 25021 1 129 272 GLU . 25021 1 130 273 PHE . 25021 1 131 274 ARG . 25021 1 132 275 THR . 25021 1 133 276 TYR . 25021 1 134 277 GLU . 25021 1 135 278 ALA . 25021 1 136 279 LEU . 25021 1 137 280 ARG . 25021 1 138 281 ARG . 25021 1 139 282 GLU . 25021 1 140 283 HIS . 25021 1 141 284 ASP . 25021 1 142 285 SER . 25021 1 143 286 GLN . 25021 1 144 287 ILE . 25021 1 145 288 VAL . 25021 1 146 289 GLN . 25021 1 147 290 ILE . 25021 1 148 291 ALA . 25021 1 149 292 MET . 25021 1 150 293 GLU . 25021 1 151 294 ALA . 25021 1 152 295 GLY . 25021 1 153 296 LEU . 25021 1 154 297 ARG . 25021 1 155 298 ILE . 25021 1 156 299 ALA . 25021 1 157 300 PRO . 25021 1 158 301 ASP . 25021 1 159 302 GLN . 25021 1 160 303 TRP . 25021 1 161 304 SER . 25021 1 162 305 SER . 25021 1 163 306 LEU . 25021 1 164 307 LEU . 25021 1 165 308 TYR . 25021 1 166 309 GLY . 25021 1 167 310 ASP . 25021 1 168 311 GLN . 25021 1 169 312 SER . 25021 1 170 313 HIS . 25021 1 171 314 LYS . 25021 1 172 315 SER . 25021 1 173 316 HIS . 25021 1 174 317 MET . 25021 1 175 318 GLN . 25021 1 176 319 SER . 25021 1 177 320 ILE . 25021 1 178 321 ILE . 25021 1 179 322 ASP . 25021 1 180 323 LYS . 25021 1 181 324 LEU . 25021 1 182 325 GLN . 25021 1 183 326 THR . 25021 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25021 1 . ALA 2 2 25021 1 . MET 3 3 25021 1 . GLU 4 4 25021 1 . GLU 5 5 25021 1 . GLU 6 6 25021 1 . GLY 7 7 25021 1 . ARG 8 8 25021 1 . ILE 9 9 25021 1 . ARG 10 10 25021 1 . ALA 11 11 25021 1 . MET 12 12 25021 1 . ARG 13 13 25021 1 . ALA 14 14 25021 1 . ALA 15 15 25021 1 . ARG 16 16 25021 1 . SER 17 17 25021 1 . LEU 18 18 25021 1 . GLY 19 19 25021 1 . GLU 20 20 25021 1 . ARG 21 21 25021 1 . THR 22 22 25021 1 . VAL 23 23 25021 1 . THR 24 24 25021 1 . GLU 25 25 25021 1 . LEU 26 26 25021 1 . ILE 27 27 25021 1 . LEU 28 28 25021 1 . GLN 29 29 25021 1 . HIS 30 30 25021 1 . GLN 31 31 25021 1 . ASN 32 32 25021 1 . PRO 33 33 25021 1 . GLN 34 34 25021 1 . GLN 35 35 25021 1 . LEU 36 36 25021 1 . SER 37 37 25021 1 . SER 38 38 25021 1 . ASN 39 39 25021 1 . LEU 40 40 25021 1 . TRP 41 41 25021 1 . ALA 42 42 25021 1 . ALA 43 43 25021 1 . VAL 44 44 25021 1 . ARG 45 45 25021 1 . ALA 46 46 25021 1 . ARG 47 47 25021 1 . GLY 48 48 25021 1 . CYS 49 49 25021 1 . GLN 50 50 25021 1 . PHE 51 51 25021 1 . LEU 52 52 25021 1 . GLY 53 53 25021 1 . PRO 54 54 25021 1 . ALA 55 55 25021 1 . MET 56 56 25021 1 . GLN 57 57 25021 1 . GLU 58 58 25021 1 . GLU 59 59 25021 1 . ALA 60 60 25021 1 . LEU 61 61 25021 1 . LYS 62 62 25021 1 . LEU 63 63 25021 1 . VAL 64 64 25021 1 . LEU 65 65 25021 1 . LEU 66 66 25021 1 . ALA 67 67 25021 1 . LEU 68 68 25021 1 . GLU 69 69 25021 1 . ASP 70 70 25021 1 . GLY 71 71 25021 1 . SER 72 72 25021 1 . ALA 73 73 25021 1 . LEU 74 74 25021 1 . SER 75 75 25021 1 . ARG 76 76 25021 1 . LYS 77 77 25021 1 . VAL 78 78 25021 1 . LEU 79 79 25021 1 . VAL 80 80 25021 1 . LEU 81 81 25021 1 . PHE 82 82 25021 1 . VAL 83 83 25021 1 . VAL 84 84 25021 1 . GLN 85 85 25021 1 . ARG 86 86 25021 1 . LEU 87 87 25021 1 . GLU 88 88 25021 1 . PRO 89 89 25021 1 . ARG 90 90 25021 1 . PHE 91 91 25021 1 . PRO 92 92 25021 1 . GLN 93 93 25021 1 . ALA 94 94 25021 1 . SER 95 95 25021 1 . LYS 96 96 25021 1 . THR 97 97 25021 1 . SER 98 98 25021 1 . ILE 99 99 25021 1 . GLY 100 100 25021 1 . HIS 101 101 25021 1 . VAL 102 102 25021 1 . VAL 103 103 25021 1 . GLN 104 104 25021 1 . LEU 105 105 25021 1 . LEU 106 106 25021 1 . TYR 107 107 25021 1 . ARG 108 108 25021 1 . ALA 109 109 25021 1 . SER 110 110 25021 1 . CYS 111 111 25021 1 . PHE 112 112 25021 1 . LYS 113 113 25021 1 . VAL 114 114 25021 1 . THR 115 115 25021 1 . LYS 116 116 25021 1 . ARG 117 117 25021 1 . ASP 118 118 25021 1 . GLU 119 119 25021 1 . ASP 120 120 25021 1 . SER 121 121 25021 1 . SER 122 122 25021 1 . LEU 123 123 25021 1 . MET 124 124 25021 1 . GLN 125 125 25021 1 . LEU 126 126 25021 1 . LYS 127 127 25021 1 . GLU 128 128 25021 1 . GLU 129 129 25021 1 . PHE 130 130 25021 1 . ARG 131 131 25021 1 . THR 132 132 25021 1 . TYR 133 133 25021 1 . GLU 134 134 25021 1 . ALA 135 135 25021 1 . LEU 136 136 25021 1 . ARG 137 137 25021 1 . ARG 138 138 25021 1 . GLU 139 139 25021 1 . HIS 140 140 25021 1 . ASP 141 141 25021 1 . SER 142 142 25021 1 . GLN 143 143 25021 1 . ILE 144 144 25021 1 . VAL 145 145 25021 1 . GLN 146 146 25021 1 . ILE 147 147 25021 1 . ALA 148 148 25021 1 . MET 149 149 25021 1 . GLU 150 150 25021 1 . ALA 151 151 25021 1 . GLY 152 152 25021 1 . LEU 153 153 25021 1 . ARG 154 154 25021 1 . ILE 155 155 25021 1 . ALA 156 156 25021 1 . PRO 157 157 25021 1 . ASP 158 158 25021 1 . GLN 159 159 25021 1 . TRP 160 160 25021 1 . SER 161 161 25021 1 . SER 162 162 25021 1 . LEU 163 163 25021 1 . LEU 164 164 25021 1 . TYR 165 165 25021 1 . GLY 166 166 25021 1 . ASP 167 167 25021 1 . GLN 168 168 25021 1 . SER 169 169 25021 1 . HIS 170 170 25021 1 . LYS 171 171 25021 1 . SER 172 172 25021 1 . HIS 173 173 25021 1 . MET 174 174 25021 1 . GLN 175 175 25021 1 . SER 176 176 25021 1 . ILE 177 177 25021 1 . ILE 178 178 25021 1 . ASP 179 179 25021 1 . LYS 180 180 25021 1 . LEU 181 181 25021 1 . GLN 182 182 25021 1 . THR 183 183 25021 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 25021 _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 $ROQ_domain_of_Roquin-1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 25021 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 25021 _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 $ROQ_domain_of_Roquin-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pETTrx1a . . . . . . 25021 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25021 _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 'ROQ domain of Roquin-1' '[U-98% 13C; U-98% 15N]' . . 1 $ROQ_domain_of_Roquin-1 . . . 200 350 uM . . . . 25021 1 2 'TRIS, pH 7.0' 'natural abundance' . . . . . . 20 . . mM . . . . 25021 1 3 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 25021 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25021 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 25021 _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 temperature 298 . K 25021 1 pH 7.0 . pH 25021 1 pressure 1 . atm 25021 1 'ionic strength' 150 . mM 25021 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 25021 _Software.ID 1 _Software.Name CCPN_Analysis _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25021 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25021 1 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 25021 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25021 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _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 25021 _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 . 600 . . . 25021 1 2 spectrometer_2 Bruker Avance . 800 . . . 25021 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 25021 _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 . . . . . . . . . . . . . . . . . . . . . 25021 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25021 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25021 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25021 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25021 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 25021 _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 na indirect 0.251449530 . . . . . . . . . 25021 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25021 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25021 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 25021 _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 'backbone chemical shifts of ROQ domain residues 147-326' _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' . . . 25021 1 2 '3D HNCA' . . . 25021 1 3 '3D HNCACB' . . . 25021 1 4 '3D HNCO' . . . 25021 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 ALA H H 1 8.253 0.017 . 1 . . . . 145 ALA H . 25021 1 2 . 1 1 2 2 ALA C C 13 177.202 0.000 . 1 . . . . 145 ALA C . 25021 1 3 . 1 1 2 2 ALA CA C 13 51.877 0.000 . 1 . . . . 145 ALA CA . 25021 1 4 . 1 1 2 2 ALA N N 15 125.154 0.023 . 1 . . . . 145 ALA N . 25021 1 5 . 1 1 3 3 MET H H 1 8.115 0.018 . 1 . . . . 146 MET H . 25021 1 6 . 1 1 3 3 MET C C 13 175.943 0.000 . 1 . . . . 146 MET C . 25021 1 7 . 1 1 3 3 MET CA C 13 55.972 0.000 . 1 . . . . 146 MET CA . 25021 1 8 . 1 1 3 3 MET CB C 13 29.374 0.000 . 1 . . . . 146 MET CB . 25021 1 9 . 1 1 3 3 MET N N 15 121.372 0.203 . 1 . . . . 146 MET N . 25021 1 10 . 1 1 4 4 GLU H H 1 8.337 0.025 . 1 . . . . 147 GLU H . 25021 1 11 . 1 1 4 4 GLU C C 13 172.445 0.000 . 1 . . . . 147 GLU C . 25021 1 12 . 1 1 4 4 GLU CA C 13 56.800 0.000 . 1 . . . . 147 GLU CA . 25021 1 13 . 1 1 4 4 GLU CB C 13 28.793 0.000 . 1 . . . . 147 GLU CB . 25021 1 14 . 1 1 4 4 GLU N N 15 121.115 0.069 . 1 . . . . 147 GLU N . 25021 1 15 . 1 1 5 5 GLU H H 1 8.239 0.010 . 1 . . . . 148 GLU H . 25021 1 16 . 1 1 5 5 GLU C C 13 175.552 0.000 . 1 . . . . 148 GLU C . 25021 1 17 . 1 1 5 5 GLU CA C 13 57.103 0.000 . 1 . . . . 148 GLU CA . 25021 1 18 . 1 1 5 5 GLU CB C 13 28.905 0.000 . 1 . . . . 148 GLU CB . 25021 1 19 . 1 1 5 5 GLU N N 15 121.252 0.176 . 1 . . . . 148 GLU N . 25021 1 20 . 1 1 6 6 GLU H H 1 8.332 0.000 . 1 . . . . 149 GLU H . 25021 1 21 . 1 1 6 6 GLU C C 13 174.225 0.000 . 1 . . . . 149 GLU C . 25021 1 22 . 1 1 6 6 GLU CA C 13 57.553 0.000 . 1 . . . . 149 GLU CA . 25021 1 23 . 1 1 6 6 GLU CB C 13 28.599 0.000 . 1 . . . . 149 GLU CB . 25021 1 24 . 1 1 6 6 GLU N N 15 120.670 0.000 . 1 . . . . 149 GLU N . 25021 1 25 . 1 1 7 7 GLY H H 1 8.270 0.035 . 1 . . . . 150 GLY H . 25021 1 26 . 1 1 7 7 GLY CA C 13 45.868 0.000 . 1 . . . . 150 GLY CA . 25021 1 27 . 1 1 7 7 GLY N N 15 107.771 0.201 . 1 . . . . 150 GLY N . 25021 1 28 . 1 1 8 8 ARG H H 1 7.897 0.015 . 1 . . . . 151 ARG H . 25021 1 29 . 1 1 8 8 ARG CA C 13 57.318 0.000 . 1 . . . . 151 ARG CA . 25021 1 30 . 1 1 8 8 ARG CB C 13 29.089 0.000 . 1 . . . . 151 ARG CB . 25021 1 31 . 1 1 8 8 ARG N N 15 121.616 0.159 . 1 . . . . 151 ARG N . 25021 1 32 . 1 1 9 9 ILE CA C 13 62.423 0.000 . 1 . . . . 152 ILE CA . 25021 1 33 . 1 1 9 9 ILE CB C 13 37.061 0.000 . 1 . . . . 152 ILE CB . 25021 1 34 . 1 1 10 10 ARG H H 1 8.133 0.000 . 1 . . . . 153 ARG H . 25021 1 35 . 1 1 10 10 ARG C C 13 179.222 0.000 . 1 . . . . 153 ARG C . 25021 1 36 . 1 1 10 10 ARG CA C 13 57.416 0.000 . 1 . . . . 153 ARG CA . 25021 1 37 . 1 1 10 10 ARG CB C 13 29.308 0.050 . 1 . . . . 153 ARG CB . 25021 1 38 . 1 1 10 10 ARG N N 15 122.006 0.000 . 1 . . . . 153 ARG N . 25021 1 39 . 1 1 11 11 ALA H H 1 7.965 0.020 . 1 . . . . 154 ALA H . 25021 1 40 . 1 1 11 11 ALA C C 13 179.599 0.000 . 1 . . . . 154 ALA C . 25021 1 41 . 1 1 11 11 ALA CA C 13 53.175 0.000 . 1 . . . . 154 ALA CA . 25021 1 42 . 1 1 11 11 ALA CB C 13 17.534 0.000 . 1 . . . . 154 ALA CB . 25021 1 43 . 1 1 11 11 ALA N N 15 122.440 0.084 . 1 . . . . 154 ALA N . 25021 1 44 . 1 1 12 12 MET H H 1 8.064 0.028 . 1 . . . . 155 MET H . 25021 1 45 . 1 1 12 12 MET C C 13 175.867 0.000 . 1 . . . . 155 MET C . 25021 1 46 . 1 1 12 12 MET CA C 13 56.324 0.000 . 1 . . . . 155 MET CA . 25021 1 47 . 1 1 12 12 MET CB C 13 31.648 0.000 . 1 . . . . 155 MET CB . 25021 1 48 . 1 1 12 12 MET N N 15 118.648 0.193 . 1 . . . . 155 MET N . 25021 1 49 . 1 1 13 13 ARG C C 13 178.202 0.000 . 1 . . . . 156 ARG C . 25021 1 50 . 1 1 13 13 ARG CA C 13 57.179 0.000 . 1 . . . . 156 ARG CA . 25021 1 51 . 1 1 13 13 ARG CB C 13 38.907 0.000 . 1 . . . . 156 ARG CB . 25021 1 52 . 1 1 14 14 ALA H H 1 8.019 0.000 . 1 . . . . 157 ALA H . 25021 1 53 . 1 1 14 14 ALA CA C 13 52.683 0.000 . 1 . . . . 157 ALA CA . 25021 1 54 . 1 1 14 14 ALA CB C 13 18.019 0.000 . 1 . . . . 157 ALA CB . 25021 1 55 . 1 1 14 14 ALA N N 15 123.369 0.000 . 1 . . . . 157 ALA N . 25021 1 56 . 1 1 15 15 ALA H H 1 7.956 0.000 . 1 . . . . 158 ALA H . 25021 1 57 . 1 1 15 15 ALA CA C 13 52.453 0.000 . 1 . . . . 158 ALA CA . 25021 1 58 . 1 1 15 15 ALA CB C 13 17.954 0.000 . 1 . . . . 158 ALA CB . 25021 1 59 . 1 1 15 15 ALA N N 15 121.943 0.000 . 1 . . . . 158 ALA N . 25021 1 60 . 1 1 17 17 SER H H 1 8.037 0.000 . 1 . . . . 160 SER H . 25021 1 61 . 1 1 17 17 SER CA C 13 57.298 0.000 . 1 . . . . 160 SER CA . 25021 1 62 . 1 1 17 17 SER CB C 13 63.052 0.000 . 1 . . . . 160 SER CB . 25021 1 63 . 1 1 17 17 SER N N 15 113.262 0.000 . 1 . . . . 160 SER N . 25021 1 64 . 1 1 18 18 LEU H H 1 8.164 0.004 . 1 . . . . 161 LEU H . 25021 1 65 . 1 1 18 18 LEU CA C 13 55.286 0.000 . 1 . . . . 161 LEU CA . 25021 1 66 . 1 1 18 18 LEU CB C 13 40.956 0.000 . 1 . . . . 161 LEU CB . 25021 1 67 . 1 1 18 18 LEU N N 15 123.582 0.081 . 1 . . . . 161 LEU N . 25021 1 68 . 1 1 19 19 GLY H H 1 8.224 0.000 . 1 . . . . 162 GLY H . 25021 1 69 . 1 1 19 19 GLY CA C 13 44.769 0.000 . 1 . . . . 162 GLY CA . 25021 1 70 . 1 1 19 19 GLY N N 15 108.518 0.000 . 1 . . . . 162 GLY N . 25021 1 71 . 1 1 20 20 GLU H H 1 8.087 0.000 . 1 . . . . 163 GLU H . 25021 1 72 . 1 1 20 20 GLU C C 13 178.199 0.000 . 1 . . . . 163 GLU C . 25021 1 73 . 1 1 20 20 GLU CA C 13 56.023 0.000 . 1 . . . . 163 GLU CA . 25021 1 74 . 1 1 20 20 GLU CB C 13 29.318 0.000 . 1 . . . . 163 GLU CB . 25021 1 75 . 1 1 20 20 GLU N N 15 120.464 0.000 . 1 . . . . 163 GLU N . 25021 1 76 . 1 1 21 21 ARG H H 1 8.025 0.008 . 1 . . . . 164 ARG H . 25021 1 77 . 1 1 21 21 ARG CA C 13 56.298 0.000 . 1 . . . . 164 ARG CA . 25021 1 78 . 1 1 21 21 ARG CB C 13 29.597 0.000 . 1 . . . . 164 ARG CB . 25021 1 79 . 1 1 21 21 ARG N N 15 119.131 0.141 . 1 . . . . 164 ARG N . 25021 1 80 . 1 1 22 22 THR H H 1 8.160 0.021 . 1 . . . . 165 THR H . 25021 1 81 . 1 1 22 22 THR C C 13 178.405 0.000 . 1 . . . . 165 THR C . 25021 1 82 . 1 1 22 22 THR CA C 13 61.678 0.000 . 1 . . . . 165 THR CA . 25021 1 83 . 1 1 22 22 THR CB C 13 69.261 0.000 . 1 . . . . 165 THR CB . 25021 1 84 . 1 1 22 22 THR N N 15 115.756 0.027 . 1 . . . . 165 THR N . 25021 1 85 . 1 1 23 23 VAL H H 1 8.163 0.027 . 1 . . . . 166 VAL H . 25021 1 86 . 1 1 23 23 VAL C C 13 179.893 0.000 . 1 . . . . 166 VAL C . 25021 1 87 . 1 1 23 23 VAL CA C 13 62.309 0.000 . 1 . . . . 166 VAL CA . 25021 1 88 . 1 1 23 23 VAL CB C 13 31.443 0.000 . 1 . . . . 166 VAL CB . 25021 1 89 . 1 1 23 23 VAL N N 15 122.227 0.229 . 1 . . . . 166 VAL N . 25021 1 90 . 1 1 24 24 THR H H 1 8.033 0.000 . 1 . . . . 167 THR H . 25021 1 91 . 1 1 24 24 THR CA C 13 62.168 0.000 . 1 . . . . 167 THR CA . 25021 1 92 . 1 1 24 24 THR CB C 13 68.864 0.000 . 1 . . . . 167 THR CB . 25021 1 93 . 1 1 24 24 THR N N 15 117.241 0.000 . 1 . . . . 167 THR N . 25021 1 94 . 1 1 25 25 GLU H H 1 8.251 0.016 . 1 . . . . 168 GLU H . 25021 1 95 . 1 1 25 25 GLU CA C 13 56.407 0.000 . 1 . . . . 168 GLU CA . 25021 1 96 . 1 1 25 25 GLU CB C 13 29.222 0.000 . 1 . . . . 168 GLU CB . 25021 1 97 . 1 1 25 25 GLU N N 15 122.899 0.103 . 1 . . . . 168 GLU N . 25021 1 98 . 1 1 26 26 LEU H H 1 8.105 0.021 . 1 . . . . 169 LEU H . 25021 1 99 . 1 1 26 26 LEU CA C 13 55.111 0.000 . 1 . . . . 169 LEU CA . 25021 1 100 . 1 1 26 26 LEU CB C 13 40.930 0.000 . 1 . . . . 169 LEU CB . 25021 1 101 . 1 1 26 26 LEU N N 15 122.835 0.086 . 1 . . . . 169 LEU N . 25021 1 102 . 1 1 27 27 ILE H H 1 7.971 0.013 . 1 . . . . 170 ILE H . 25021 1 103 . 1 1 27 27 ILE CA C 13 60.837 0.000 . 1 . . . . 170 ILE CA . 25021 1 104 . 1 1 27 27 ILE CB C 13 37.066 0.000 . 1 . . . . 170 ILE CB . 25021 1 105 . 1 1 27 27 ILE N N 15 121.597 0.154 . 1 . . . . 170 ILE N . 25021 1 106 . 1 1 28 28 LEU H H 1 8.184 0.062 . 1 . . . . 171 LEU H . 25021 1 107 . 1 1 28 28 LEU CA C 13 54.856 0.000 . 1 . . . . 171 LEU CA . 25021 1 108 . 1 1 28 28 LEU CB C 13 40.848 0.000 . 1 . . . . 171 LEU CB . 25021 1 109 . 1 1 28 28 LEU N N 15 122.689 2.312 . 1 . . . . 171 LEU N . 25021 1 110 . 1 1 29 29 GLN H H 1 7.879 0.000 . 1 . . . . 172 GLN H . 25021 1 111 . 1 1 29 29 GLN CA C 13 56.899 0.000 . 1 . . . . 172 GLN CA . 25021 1 112 . 1 1 29 29 GLN CB C 13 27.751 0.000 . 1 . . . . 172 GLN CB . 25021 1 113 . 1 1 29 29 GLN N N 15 120.628 0.000 . 1 . . . . 172 GLN N . 25021 1 114 . 1 1 30 30 HIS H H 1 7.938 0.000 . 1 . . . . 173 HIS H . 25021 1 115 . 1 1 30 30 HIS CA C 13 57.375 0.000 . 1 . . . . 173 HIS CA . 25021 1 116 . 1 1 30 30 HIS CB C 13 28.798 0.000 . 1 . . . . 173 HIS CB . 25021 1 117 . 1 1 30 30 HIS N N 15 123.832 0.000 . 1 . . . . 173 HIS N . 25021 1 118 . 1 1 31 31 GLN H H 1 7.935 0.036 . 1 . . . . 174 GLN H . 25021 1 119 . 1 1 31 31 GLN CA C 13 57.167 0.000 . 1 . . . . 174 GLN CA . 25021 1 120 . 1 1 31 31 GLN CB C 13 27.719 0.000 . 1 . . . . 174 GLN CB . 25021 1 121 . 1 1 31 31 GLN N N 15 120.307 0.150 . 1 . . . . 174 GLN N . 25021 1 122 . 1 1 33 33 PRO CA C 13 64.308 0.000 . 1 . . . . 176 PRO CA . 25021 1 123 . 1 1 33 33 PRO CB C 13 30.769 0.000 . 1 . . . . 176 PRO CB . 25021 1 124 . 1 1 34 34 GLN H H 1 8.213 0.000 . 1 . . . . 177 GLN H . 25021 1 125 . 1 1 34 34 GLN C C 13 180.473 0.000 . 1 . . . . 177 GLN C . 25021 1 126 . 1 1 34 34 GLN CA C 13 57.440 0.000 . 1 . . . . 177 GLN CA . 25021 1 127 . 1 1 34 34 GLN CB C 13 27.252 0.000 . 1 . . . . 177 GLN CB . 25021 1 128 . 1 1 34 34 GLN N N 15 118.369 0.000 . 1 . . . . 177 GLN N . 25021 1 129 . 1 1 35 35 GLN H H 1 8.214 0.000 . 1 . . . . 178 GLN H . 25021 1 130 . 1 1 35 35 GLN C C 13 177.684 0.000 . 1 . . . . 178 GLN C . 25021 1 131 . 1 1 35 35 GLN CA C 13 57.347 0.000 . 1 . . . . 178 GLN CA . 25021 1 132 . 1 1 35 35 GLN CB C 13 27.209 0.000 . 1 . . . . 178 GLN CB . 25021 1 133 . 1 1 35 35 GLN N N 15 118.416 0.000 . 1 . . . . 178 GLN N . 25021 1 134 . 1 1 36 36 LEU H H 1 7.806 0.013 . 1 . . . . 179 LEU H . 25021 1 135 . 1 1 36 36 LEU C C 13 178.755 0.000 . 1 . . . . 179 LEU C . 25021 1 136 . 1 1 36 36 LEU CA C 13 57.338 0.000 . 1 . . . . 179 LEU CA . 25021 1 137 . 1 1 36 36 LEU CB C 13 40.724 0.000 . 1 . . . . 179 LEU CB . 25021 1 138 . 1 1 36 36 LEU N N 15 120.294 0.205 . 1 . . . . 179 LEU N . 25021 1 139 . 1 1 37 37 SER H H 1 7.878 0.006 . 1 . . . . 180 SER H . 25021 1 140 . 1 1 37 37 SER C C 13 178.766 0.000 . 1 . . . . 180 SER C . 25021 1 141 . 1 1 37 37 SER CA C 13 60.414 0.000 . 1 . . . . 180 SER CA . 25021 1 142 . 1 1 37 37 SER CB C 13 61.404 0.000 . 1 . . . . 180 SER CB . 25021 1 143 . 1 1 37 37 SER N N 15 112.263 0.063 . 1 . . . . 180 SER N . 25021 1 144 . 1 1 38 38 SER H H 1 7.652 0.003 . 1 . . . . 181 SER H . 25021 1 145 . 1 1 38 38 SER C C 13 174.462 0.000 . 1 . . . . 181 SER C . 25021 1 146 . 1 1 38 38 SER CA C 13 61.534 0.000 . 1 . . . . 181 SER CA . 25021 1 147 . 1 1 38 38 SER CB C 13 61.791 0.000 . 1 . . . . 181 SER CB . 25021 1 148 . 1 1 38 38 SER N N 15 115.293 0.013 . 1 . . . . 181 SER N . 25021 1 149 . 1 1 39 39 ASN H H 1 8.146 0.021 . 1 . . . . 182 ASN H . 25021 1 150 . 1 1 39 39 ASN C C 13 178.153 0.000 . 1 . . . . 182 ASN C . 25021 1 151 . 1 1 39 39 ASN CA C 13 54.975 0.000 . 1 . . . . 182 ASN CA . 25021 1 152 . 1 1 39 39 ASN CB C 13 36.982 0.000 . 1 . . . . 182 ASN CB . 25021 1 153 . 1 1 39 39 ASN N N 15 120.138 0.138 . 1 . . . . 182 ASN N . 25021 1 154 . 1 1 40 40 LEU H H 1 8.032 0.000 . 1 . . . . 183 LEU H . 25021 1 155 . 1 1 40 40 LEU C C 13 178.592 0.000 . 1 . . . . 183 LEU C . 25021 1 156 . 1 1 40 40 LEU CA C 13 57.276 0.000 . 1 . . . . 183 LEU CA . 25021 1 157 . 1 1 40 40 LEU CB C 13 38.941 0.000 . 1 . . . . 183 LEU CB . 25021 1 158 . 1 1 40 40 LEU N N 15 123.664 0.000 . 1 . . . . 183 LEU N . 25021 1 159 . 1 1 41 41 TRP H H 1 8.112 0.013 . 1 . . . . 184 TRP H . 25021 1 160 . 1 1 41 41 TRP HE1 H 1 10.160 0.014 . 1 . . . . 184 TRP HE1 . 25021 1 161 . 1 1 41 41 TRP C C 13 179.902 0.000 . 1 . . . . 184 TRP C . 25021 1 162 . 1 1 41 41 TRP CA C 13 57.960 0.000 . 1 . . . . 184 TRP CA . 25021 1 163 . 1 1 41 41 TRP CB C 13 28.319 0.000 . 1 . . . . 184 TRP CB . 25021 1 164 . 1 1 41 41 TRP N N 15 117.265 0.143 . 1 . . . . 184 TRP N . 25021 1 165 . 1 1 41 41 TRP NE1 N 15 128.559 0.240 . 1 . . . . 184 TRP NE1 . 25021 1 166 . 1 1 42 42 ALA H H 1 8.059 0.000 . 1 . . . . 185 ALA H . 25021 1 167 . 1 1 42 42 ALA C C 13 180.269 0.000 . 1 . . . . 185 ALA C . 25021 1 168 . 1 1 42 42 ALA CA C 13 54.431 0.000 . 1 . . . . 185 ALA CA . 25021 1 169 . 1 1 42 42 ALA CB C 13 17.336 0.000 . 1 . . . . 185 ALA CB . 25021 1 170 . 1 1 42 42 ALA N N 15 119.913 0.000 . 1 . . . . 185 ALA N . 25021 1 171 . 1 1 43 43 ALA H H 1 7.721 0.010 . 1 . . . . 186 ALA H . 25021 1 172 . 1 1 43 43 ALA C C 13 180.772 0.000 . 1 . . . . 186 ALA C . 25021 1 173 . 1 1 43 43 ALA CA C 13 54.410 0.000 . 1 . . . . 186 ALA CA . 25021 1 174 . 1 1 43 43 ALA CB C 13 16.178 0.000 . 1 . . . . 186 ALA CB . 25021 1 175 . 1 1 43 43 ALA N N 15 123.069 0.185 . 1 . . . . 186 ALA N . 25021 1 176 . 1 1 44 44 VAL H H 1 8.208 0.015 . 1 . . . . 187 VAL H . 25021 1 177 . 1 1 44 44 VAL C C 13 178.796 0.000 . 1 . . . . 187 VAL C . 25021 1 178 . 1 1 44 44 VAL CA C 13 66.387 0.000 . 1 . . . . 187 VAL CA . 25021 1 179 . 1 1 44 44 VAL CB C 13 31.356 0.000 . 1 . . . . 187 VAL CB . 25021 1 180 . 1 1 44 44 VAL N N 15 119.382 0.161 . 1 . . . . 187 VAL N . 25021 1 181 . 1 1 45 45 ARG H H 1 8.412 0.011 . 1 . . . . 188 ARG H . 25021 1 182 . 1 1 45 45 ARG C C 13 181.314 0.000 . 1 . . . . 188 ARG C . 25021 1 183 . 1 1 45 45 ARG CA C 13 57.833 0.000 . 1 . . . . 188 ARG CA . 25021 1 184 . 1 1 45 45 ARG CB C 13 28.699 0.000 . 1 . . . . 188 ARG CB . 25021 1 185 . 1 1 45 45 ARG N N 15 120.207 0.174 . 1 . . . . 188 ARG N . 25021 1 186 . 1 1 46 46 ALA H H 1 8.154 0.008 . 1 . . . . 189 ALA H . 25021 1 187 . 1 1 46 46 ALA C C 13 179.188 0.000 . 1 . . . . 189 ALA C . 25021 1 188 . 1 1 46 46 ALA CA C 13 53.600 0.000 . 1 . . . . 189 ALA CA . 25021 1 189 . 1 1 46 46 ALA CB C 13 16.872 0.000 . 1 . . . . 189 ALA CB . 25021 1 190 . 1 1 46 46 ALA N N 15 122.484 0.092 . 1 . . . . 189 ALA N . 25021 1 191 . 1 1 47 47 ARG H H 1 7.049 0.021 . 1 . . . . 190 ARG H . 25021 1 192 . 1 1 47 47 ARG C C 13 176.485 0.000 . 1 . . . . 190 ARG C . 25021 1 193 . 1 1 47 47 ARG CA C 13 53.847 0.000 . 1 . . . . 190 ARG CA . 25021 1 194 . 1 1 47 47 ARG CB C 13 28.236 0.000 . 1 . . . . 190 ARG CB . 25021 1 195 . 1 1 47 47 ARG N N 15 115.024 0.271 . 1 . . . . 190 ARG N . 25021 1 196 . 1 1 48 48 GLY H H 1 8.147 0.017 . 1 . . . . 191 GLY H . 25021 1 197 . 1 1 48 48 GLY C C 13 173.381 0.000 . 1 . . . . 191 GLY C . 25021 1 198 . 1 1 48 48 GLY CA C 13 45.317 0.000 . 1 . . . . 191 GLY CA . 25021 1 199 . 1 1 48 48 GLY N N 15 109.381 0.181 . 1 . . . . 191 GLY N . 25021 1 200 . 1 1 49 49 CYS H H 1 6.840 0.020 . 1 . . . . 192 CYS H . 25021 1 201 . 1 1 49 49 CYS C C 13 172.831 0.000 . 1 . . . . 192 CYS C . 25021 1 202 . 1 1 49 49 CYS CA C 13 56.542 0.000 . 1 . . . . 192 CYS CA . 25021 1 203 . 1 1 49 49 CYS CB C 13 31.206 0.000 . 1 . . . . 192 CYS CB . 25021 1 204 . 1 1 49 49 CYS N N 15 112.652 0.168 . 1 . . . . 192 CYS N . 25021 1 205 . 1 1 50 50 GLN H H 1 6.352 0.000 . 1 . . . . 193 GLN H . 25021 1 206 . 1 1 50 50 GLN C C 13 172.513 0.000 . 1 . . . . 193 GLN C . 25021 1 207 . 1 1 50 50 GLN CA C 13 55.855 0.000 . 1 . . . . 193 GLN CA . 25021 1 208 . 1 1 50 50 GLN CB C 13 33.221 0.000 . 1 . . . . 193 GLN CB . 25021 1 209 . 1 1 50 50 GLN N N 15 114.963 0.000 . 1 . . . . 193 GLN N . 25021 1 210 . 1 1 51 51 PHE H H 1 8.202 0.022 . 1 . . . . 194 PHE H . 25021 1 211 . 1 1 51 51 PHE C C 13 175.514 0.000 . 1 . . . . 194 PHE C . 25021 1 212 . 1 1 51 51 PHE CA C 13 56.251 0.000 . 1 . . . . 194 PHE CA . 25021 1 213 . 1 1 51 51 PHE CB C 13 41.294 0.000 . 1 . . . . 194 PHE CB . 25021 1 214 . 1 1 51 51 PHE N N 15 120.940 0.232 . 1 . . . . 194 PHE N . 25021 1 215 . 1 1 52 52 LEU H H 1 8.201 0.000 . 1 . . . . 195 LEU H . 25021 1 216 . 1 1 52 52 LEU C C 13 175.708 0.000 . 1 . . . . 195 LEU C . 25021 1 217 . 1 1 52 52 LEU CA C 13 54.794 0.000 . 1 . . . . 195 LEU CA . 25021 1 218 . 1 1 52 52 LEU CB C 13 39.709 0.000 . 1 . . . . 195 LEU CB . 25021 1 219 . 1 1 52 52 LEU N N 15 126.892 0.000 . 1 . . . . 195 LEU N . 25021 1 220 . 1 1 54 54 PRO C C 13 179.386 0.000 . 1 . . . . 197 PRO C . 25021 1 221 . 1 1 54 54 PRO CA C 13 66.971 0.000 . 1 . . . . 197 PRO CA . 25021 1 222 . 1 1 54 54 PRO CB C 13 31.151 0.000 . 1 . . . . 197 PRO CB . 25021 1 223 . 1 1 55 55 ALA H H 1 8.032 0.021 . 1 . . . . 198 ALA H . 25021 1 224 . 1 1 55 55 ALA C C 13 180.367 0.000 . 1 . . . . 198 ALA C . 25021 1 225 . 1 1 55 55 ALA CA C 13 54.482 0.000 . 1 . . . . 198 ALA CA . 25021 1 226 . 1 1 55 55 ALA CB C 13 17.156 0.000 . 1 . . . . 198 ALA CB . 25021 1 227 . 1 1 55 55 ALA N N 15 119.722 0.194 . 1 . . . . 198 ALA N . 25021 1 228 . 1 1 56 56 MET H H 1 8.166 0.032 . 1 . . . . 199 MET H . 25021 1 229 . 1 1 56 56 MET C C 13 177.779 0.000 . 1 . . . . 199 MET C . 25021 1 230 . 1 1 56 56 MET CA C 13 58.267 0.000 . 1 . . . . 199 MET CA . 25021 1 231 . 1 1 56 56 MET CB C 13 30.551 0.000 . 1 . . . . 199 MET CB . 25021 1 232 . 1 1 56 56 MET N N 15 117.885 0.173 . 1 . . . . 199 MET N . 25021 1 233 . 1 1 57 57 GLN H H 1 8.387 0.005 . 1 . . . . 200 GLN H . 25021 1 234 . 1 1 57 57 GLN C C 13 179.350 0.000 . 1 . . . . 200 GLN C . 25021 1 235 . 1 1 57 57 GLN CA C 13 59.561 0.000 . 1 . . . . 200 GLN CA . 25021 1 236 . 1 1 57 57 GLN CB C 13 26.637 0.000 . 1 . . . . 200 GLN CB . 25021 1 237 . 1 1 57 57 GLN N N 15 117.974 0.050 . 1 . . . . 200 GLN N . 25021 1 238 . 1 1 58 58 GLU H H 1 7.095 0.024 . 1 . . . . 201 GLU H . 25021 1 239 . 1 1 58 58 GLU C C 13 177.958 0.000 . 1 . . . . 201 GLU C . 25021 1 240 . 1 1 58 58 GLU CA C 13 59.235 0.000 . 1 . . . . 201 GLU CA . 25021 1 241 . 1 1 58 58 GLU CB C 13 28.204 0.000 . 1 . . . . 201 GLU CB . 25021 1 242 . 1 1 58 58 GLU N N 15 115.325 0.166 . 1 . . . . 201 GLU N . 25021 1 243 . 1 1 59 59 GLU H H 1 7.412 0.016 . 1 . . . . 202 GLU H . 25021 1 244 . 1 1 59 59 GLU C C 13 179.449 0.000 . 1 . . . . 202 GLU C . 25021 1 245 . 1 1 59 59 GLU CA C 13 58.626 0.000 . 1 . . . . 202 GLU CA . 25021 1 246 . 1 1 59 59 GLU CB C 13 27.810 0.000 . 1 . . . . 202 GLU CB . 25021 1 247 . 1 1 59 59 GLU N N 15 115.992 0.171 . 1 . . . . 202 GLU N . 25021 1 248 . 1 1 60 60 ALA H H 1 8.435 0.000 . 1 . . . . 203 ALA H . 25021 1 249 . 1 1 60 60 ALA C C 13 175.698 0.000 . 1 . . . . 203 ALA C . 25021 1 250 . 1 1 60 60 ALA CA C 13 54.802 0.000 . 1 . . . . 203 ALA CA . 25021 1 251 . 1 1 60 60 ALA CB C 13 21.169 0.000 . 1 . . . . 203 ALA CB . 25021 1 252 . 1 1 60 60 ALA N N 15 120.953 0.000 . 1 . . . . 203 ALA N . 25021 1 253 . 1 1 65 65 LEU C C 13 177.357 0.000 . 1 . . . . 208 LEU C . 25021 1 254 . 1 1 65 65 LEU CA C 13 55.736 0.000 . 1 . . . . 208 LEU CA . 25021 1 255 . 1 1 66 66 LEU H H 1 8.364 0.000 . 1 . . . . 209 LEU H . 25021 1 256 . 1 1 66 66 LEU C C 13 175.468 0.000 . 1 . . . . 209 LEU C . 25021 1 257 . 1 1 66 66 LEU CA C 13 55.073 0.000 . 1 . . . . 209 LEU CA . 25021 1 258 . 1 1 66 66 LEU CB C 13 37.498 0.000 . 1 . . . . 209 LEU CB . 25021 1 259 . 1 1 66 66 LEU N N 15 121.570 0.000 . 1 . . . . 209 LEU N . 25021 1 260 . 1 1 67 67 ALA H H 1 8.463 0.000 . 1 . . . . 210 ALA H . 25021 1 261 . 1 1 67 67 ALA C C 13 175.733 0.000 . 1 . . . . 210 ALA C . 25021 1 262 . 1 1 67 67 ALA CA C 13 50.876 0.000 . 1 . . . . 210 ALA CA . 25021 1 263 . 1 1 67 67 ALA CB C 13 21.516 0.000 . 1 . . . . 210 ALA CB . 25021 1 264 . 1 1 67 67 ALA N N 15 120.654 0.000 . 1 . . . . 210 ALA N . 25021 1 265 . 1 1 68 68 LEU CA C 13 54.109 0.000 . 1 . . . . 211 LEU CA . 25021 1 266 . 1 1 69 69 GLU H H 1 9.556 0.000 . 1 . . . . 212 GLU H . 25021 1 267 . 1 1 69 69 GLU CA C 13 59.294 0.000 . 1 . . . . 212 GLU CA . 25021 1 268 . 1 1 69 69 GLU CB C 13 27.047 0.000 . 1 . . . . 212 GLU CB . 25021 1 269 . 1 1 69 69 GLU N N 15 124.159 0.000 . 1 . . . . 212 GLU N . 25021 1 270 . 1 1 70 70 ASP H H 1 8.209 0.000 . 1 . . . . 213 ASP H . 25021 1 271 . 1 1 70 70 ASP CA C 13 52.707 0.000 . 1 . . . . 213 ASP CA . 25021 1 272 . 1 1 70 70 ASP CB C 13 38.517 0.000 . 1 . . . . 213 ASP CB . 25021 1 273 . 1 1 70 70 ASP N N 15 117.148 0.000 . 1 . . . . 213 ASP N . 25021 1 274 . 1 1 71 71 GLY H H 1 8.051 0.003 . 1 . . . . 214 GLY H . 25021 1 275 . 1 1 71 71 GLY CA C 13 44.670 0.000 . 1 . . . . 214 GLY CA . 25021 1 276 . 1 1 71 71 GLY N N 15 106.613 0.009 . 1 . . . . 214 GLY N . 25021 1 277 . 1 1 72 72 SER H H 1 7.984 0.000 . 1 . . . . 215 SER H . 25021 1 278 . 1 1 72 72 SER C C 13 176.200 0.000 . 1 . . . . 215 SER C . 25021 1 279 . 1 1 72 72 SER CA C 13 60.516 0.000 . 1 . . . . 215 SER CA . 25021 1 280 . 1 1 72 72 SER CB C 13 59.386 0.000 . 1 . . . . 215 SER CB . 25021 1 281 . 1 1 72 72 SER N N 15 117.732 0.000 . 1 . . . . 215 SER N . 25021 1 282 . 1 1 73 73 ALA H H 1 8.129 0.000 . 1 . . . . 216 ALA H . 25021 1 283 . 1 1 73 73 ALA CA C 13 49.043 0.000 . 1 . . . . 216 ALA CA . 25021 1 284 . 1 1 73 73 ALA CB C 13 18.061 0.000 . 1 . . . . 216 ALA CB . 25021 1 285 . 1 1 73 73 ALA N N 15 122.631 0.000 . 1 . . . . 216 ALA N . 25021 1 286 . 1 1 74 74 LEU CA C 13 52.326 0.000 . 1 . . . . 217 LEU CA . 25021 1 287 . 1 1 75 75 SER H H 1 8.295 0.000 . 1 . . . . 218 SER H . 25021 1 288 . 1 1 75 75 SER CA C 13 56.237 0.000 . 1 . . . . 218 SER CA . 25021 1 289 . 1 1 75 75 SER N N 15 117.386 0.000 . 1 . . . . 218 SER N . 25021 1 290 . 1 1 76 76 ARG CA C 13 60.123 0.000 . 1 . . . . 219 ARG CA . 25021 1 291 . 1 1 77 77 LYS H H 1 8.176 0.005 . 1 . . . . 220 LYS H . 25021 1 292 . 1 1 77 77 LYS CA C 13 59.441 0.000 . 1 . . . . 220 LYS CA . 25021 1 293 . 1 1 77 77 LYS CB C 13 31.743 0.000 . 1 . . . . 220 LYS CB . 25021 1 294 . 1 1 77 77 LYS N N 15 115.277 0.039 . 1 . . . . 220 LYS N . 25021 1 295 . 1 1 78 78 VAL CA C 13 65.778 0.000 . 1 . . . . 221 VAL CA . 25021 1 296 . 1 1 79 79 LEU H H 1 8.229 0.000 . 1 . . . . 222 LEU H . 25021 1 297 . 1 1 79 79 LEU C C 13 178.003 0.000 . 1 . . . . 222 LEU C . 25021 1 298 . 1 1 79 79 LEU CA C 13 57.508 0.000 . 1 . . . . 222 LEU CA . 25021 1 299 . 1 1 79 79 LEU CB C 13 40.641 0.000 . 1 . . . . 222 LEU CB . 25021 1 300 . 1 1 79 79 LEU N N 15 121.810 0.000 . 1 . . . . 222 LEU N . 25021 1 301 . 1 1 80 80 VAL H H 1 8.430 0.002 . 1 . . . . 223 VAL H . 25021 1 302 . 1 1 80 80 VAL C C 13 178.297 0.000 . 1 . . . . 223 VAL C . 25021 1 303 . 1 1 80 80 VAL CA C 13 66.643 0.000 . 1 . . . . 223 VAL CA . 25021 1 304 . 1 1 80 80 VAL CB C 13 30.189 0.000 . 1 . . . . 223 VAL CB . 25021 1 305 . 1 1 80 80 VAL N N 15 116.565 0.065 . 1 . . . . 223 VAL N . 25021 1 306 . 1 1 81 81 LEU H H 1 7.712 0.000 . 1 . . . . 224 LEU H . 25021 1 307 . 1 1 81 81 LEU CA C 13 57.512 0.000 . 1 . . . . 224 LEU CA . 25021 1 308 . 1 1 81 81 LEU N N 15 118.121 0.000 . 1 . . . . 224 LEU N . 25021 1 309 . 1 1 85 85 GLN CA C 13 58.183 0.000 . 1 . . . . 228 GLN CA . 25021 1 310 . 1 1 86 86 ARG H H 1 6.861 0.000 . 1 . . . . 229 ARG H . 25021 1 311 . 1 1 86 86 ARG C C 13 181.444 0.000 . 1 . . . . 229 ARG C . 25021 1 312 . 1 1 86 86 ARG CA C 13 56.399 0.000 . 1 . . . . 229 ARG CA . 25021 1 313 . 1 1 86 86 ARG N N 15 114.526 0.000 . 1 . . . . 229 ARG N . 25021 1 314 . 1 1 89 89 PRO C C 13 178.077 0.000 . 1 . . . . 232 PRO C . 25021 1 315 . 1 1 89 89 PRO CA C 13 65.244 0.000 . 1 . . . . 232 PRO CA . 25021 1 316 . 1 1 89 89 PRO CB C 13 31.481 0.000 . 1 . . . . 232 PRO CB . 25021 1 317 . 1 1 90 90 ARG H H 1 7.145 0.016 . 1 . . . . 233 ARG H . 25021 1 318 . 1 1 90 90 ARG C C 13 175.706 0.000 . 1 . . . . 233 ARG C . 25021 1 319 . 1 1 90 90 ARG CA C 13 55.862 0.000 . 1 . . . . 233 ARG CA . 25021 1 320 . 1 1 90 90 ARG CB C 13 31.108 0.000 . 1 . . . . 233 ARG CB . 25021 1 321 . 1 1 90 90 ARG N N 15 112.823 0.137 . 1 . . . . 233 ARG N . 25021 1 322 . 1 1 91 91 PHE H H 1 8.172 0.015 . 1 . . . . 234 PHE H . 25021 1 323 . 1 1 91 91 PHE C C 13 173.084 0.000 . 1 . . . . 234 PHE C . 25021 1 324 . 1 1 91 91 PHE CA C 13 54.032 0.000 . 1 . . . . 234 PHE CA . 25021 1 325 . 1 1 91 91 PHE CB C 13 38.621 0.000 . 1 . . . . 234 PHE CB . 25021 1 326 . 1 1 91 91 PHE N N 15 117.623 0.095 . 1 . . . . 234 PHE N . 25021 1 327 . 1 1 92 92 PRO C C 13 177.592 0.000 . 1 . . . . 235 PRO C . 25021 1 328 . 1 1 92 92 PRO CA C 13 63.896 0.000 . 1 . . . . 235 PRO CA . 25021 1 329 . 1 1 92 92 PRO CB C 13 31.085 0.000 . 1 . . . . 235 PRO CB . 25021 1 330 . 1 1 93 93 GLN H H 1 8.859 0.035 . 1 . . . . 236 GLN H . 25021 1 331 . 1 1 93 93 GLN C C 13 177.260 0.000 . 1 . . . . 236 GLN C . 25021 1 332 . 1 1 93 93 GLN CA C 13 55.679 0.000 . 1 . . . . 236 GLN CA . 25021 1 333 . 1 1 93 93 GLN CB C 13 26.748 0.000 . 1 . . . . 236 GLN CB . 25021 1 334 . 1 1 93 93 GLN N N 15 114.918 0.211 . 1 . . . . 236 GLN N . 25021 1 335 . 1 1 94 94 ALA H H 1 8.218 0.022 . 1 . . . . 237 ALA H . 25021 1 336 . 1 1 94 94 ALA C C 13 174.763 0.000 . 1 . . . . 237 ALA C . 25021 1 337 . 1 1 94 94 ALA CA C 13 52.977 0.000 . 1 . . . . 237 ALA CA . 25021 1 338 . 1 1 94 94 ALA CB C 13 17.789 0.000 . 1 . . . . 237 ALA CB . 25021 1 339 . 1 1 94 94 ALA N N 15 125.311 0.148 . 1 . . . . 237 ALA N . 25021 1 340 . 1 1 95 95 SER H H 1 7.442 0.010 . 1 . . . . 238 SER H . 25021 1 341 . 1 1 95 95 SER C C 13 174.585 0.000 . 1 . . . . 238 SER C . 25021 1 342 . 1 1 95 95 SER CA C 13 55.242 0.000 . 1 . . . . 238 SER CA . 25021 1 343 . 1 1 95 95 SER CB C 13 66.304 0.000 . 1 . . . . 238 SER CB . 25021 1 344 . 1 1 95 95 SER N N 15 114.205 0.148 . 1 . . . . 238 SER N . 25021 1 345 . 1 1 96 96 LYS H H 1 8.361 0.000 . 1 . . . . 239 LYS H . 25021 1 346 . 1 1 96 96 LYS CA C 13 59.771 0.000 . 1 . . . . 239 LYS CA . 25021 1 347 . 1 1 96 96 LYS CB C 13 36.345 0.000 . 1 . . . . 239 LYS CB . 25021 1 348 . 1 1 96 96 LYS N N 15 123.251 0.000 . 1 . . . . 239 LYS N . 25021 1 349 . 1 1 97 97 THR H H 1 8.218 0.000 . 1 . . . . 240 THR H . 25021 1 350 . 1 1 97 97 THR C C 13 176.249 0.000 . 1 . . . . 240 THR C . 25021 1 351 . 1 1 97 97 THR CA C 13 66.527 0.000 . 1 . . . . 240 THR CA . 25021 1 352 . 1 1 97 97 THR CB C 13 61.772 0.000 . 1 . . . . 240 THR CB . 25021 1 353 . 1 1 97 97 THR N N 15 116.612 0.000 . 1 . . . . 240 THR N . 25021 1 354 . 1 1 98 98 SER H H 1 7.740 0.024 . 1 . . . . 241 SER H . 25021 1 355 . 1 1 98 98 SER C C 13 176.980 0.000 . 1 . . . . 241 SER C . 25021 1 356 . 1 1 98 98 SER CA C 13 60.544 0.000 . 1 . . . . 241 SER CA . 25021 1 357 . 1 1 98 98 SER CB C 13 61.885 0.053 . 1 . . . . 241 SER CB . 25021 1 358 . 1 1 98 98 SER N N 15 117.908 0.113 . 1 . . . . 241 SER N . 25021 1 359 . 1 1 99 99 ILE H H 1 8.260 0.028 . 1 . . . . 242 ILE H . 25021 1 360 . 1 1 99 99 ILE C C 13 179.628 0.000 . 1 . . . . 242 ILE C . 25021 1 361 . 1 1 99 99 ILE CA C 13 60.821 0.003 . 1 . . . . 242 ILE CA . 25021 1 362 . 1 1 99 99 ILE CB C 13 32.474 0.000 . 1 . . . . 242 ILE CB . 25021 1 363 . 1 1 99 99 ILE N N 15 120.259 0.217 . 1 . . . . 242 ILE N . 25021 1 364 . 1 1 100 100 GLY H H 1 8.082 0.009 . 1 . . . . 243 GLY H . 25021 1 365 . 1 1 100 100 GLY C C 13 176.791 0.000 . 1 . . . . 243 GLY C . 25021 1 366 . 1 1 100 100 GLY CA C 13 46.606 0.000 . 1 . . . . 243 GLY CA . 25021 1 367 . 1 1 100 100 GLY N N 15 110.020 0.097 . 1 . . . . 243 GLY N . 25021 1 368 . 1 1 101 101 HIS H H 1 7.445 0.023 . 1 . . . . 244 HIS H . 25021 1 369 . 1 1 101 101 HIS C C 13 178.465 0.000 . 1 . . . . 244 HIS C . 25021 1 370 . 1 1 101 101 HIS CA C 13 55.892 0.000 . 1 . . . . 244 HIS CA . 25021 1 371 . 1 1 101 101 HIS CB C 13 30.526 0.000 . 1 . . . . 244 HIS CB . 25021 1 372 . 1 1 101 101 HIS N N 15 120.354 0.057 . 1 . . . . 244 HIS N . 25021 1 373 . 1 1 102 102 VAL H H 1 7.731 0.012 . 1 . . . . 245 VAL H . 25021 1 374 . 1 1 102 102 VAL C C 13 179.010 0.000 . 1 . . . . 245 VAL C . 25021 1 375 . 1 1 102 102 VAL CA C 13 66.307 0.000 . 1 . . . . 245 VAL CA . 25021 1 376 . 1 1 102 102 VAL CB C 13 30.583 0.000 . 1 . . . . 245 VAL CB . 25021 1 377 . 1 1 102 102 VAL N N 15 123.104 0.102 . 1 . . . . 245 VAL N . 25021 1 378 . 1 1 103 103 VAL H H 1 8.354 0.015 . 1 . . . . 246 VAL H . 25021 1 379 . 1 1 103 103 VAL C C 13 178.575 0.000 . 1 . . . . 246 VAL C . 25021 1 380 . 1 1 103 103 VAL CA C 13 66.863 0.000 . 1 . . . . 246 VAL CA . 25021 1 381 . 1 1 103 103 VAL CB C 13 30.066 0.000 . 1 . . . . 246 VAL CB . 25021 1 382 . 1 1 103 103 VAL N N 15 119.161 0.061 . 1 . . . . 246 VAL N . 25021 1 383 . 1 1 104 104 GLN H H 1 8.317 0.022 . 1 . . . . 247 GLN H . 25021 1 384 . 1 1 104 104 GLN C C 13 177.978 0.000 . 1 . . . . 247 GLN C . 25021 1 385 . 1 1 104 104 GLN CA C 13 57.417 0.000 . 1 . . . . 247 GLN CA . 25021 1 386 . 1 1 104 104 GLN CB C 13 25.848 0.000 . 1 . . . . 247 GLN CB . 25021 1 387 . 1 1 104 104 GLN N N 15 119.738 0.078 . 1 . . . . 247 GLN N . 25021 1 388 . 1 1 105 105 LEU H H 1 7.552 0.020 . 1 . . . . 248 LEU H . 25021 1 389 . 1 1 105 105 LEU C C 13 178.661 0.000 . 1 . . . . 248 LEU C . 25021 1 390 . 1 1 105 105 LEU CA C 13 58.625 0.000 . 1 . . . . 248 LEU CA . 25021 1 391 . 1 1 105 105 LEU CB C 13 41.823 0.000 . 1 . . . . 248 LEU CB . 25021 1 392 . 1 1 105 105 LEU N N 15 121.769 0.170 . 1 . . . . 248 LEU N . 25021 1 393 . 1 1 106 106 LEU H H 1 7.374 0.002 . 1 . . . . 249 LEU H . 25021 1 394 . 1 1 106 106 LEU C C 13 178.554 0.000 . 1 . . . . 249 LEU C . 25021 1 395 . 1 1 106 106 LEU CA C 13 56.077 0.000 . 1 . . . . 249 LEU CA . 25021 1 396 . 1 1 106 106 LEU CB C 13 39.598 0.000 . 1 . . . . 249 LEU CB . 25021 1 397 . 1 1 106 106 LEU N N 15 115.743 0.012 . 1 . . . . 249 LEU N . 25021 1 398 . 1 1 107 107 TYR H H 1 8.872 0.021 . 1 . . . . 250 TYR H . 25021 1 399 . 1 1 107 107 TYR C C 13 181.383 0.000 . 1 . . . . 250 TYR C . 25021 1 400 . 1 1 107 107 TYR CA C 13 59.738 0.000 . 1 . . . . 250 TYR CA . 25021 1 401 . 1 1 107 107 TYR CB C 13 38.306 0.000 . 1 . . . . 250 TYR CB . 25021 1 402 . 1 1 107 107 TYR N N 15 121.550 0.050 . 1 . . . . 250 TYR N . 25021 1 403 . 1 1 108 108 ARG H H 1 9.203 0.007 . 1 . . . . 251 ARG H . 25021 1 404 . 1 1 108 108 ARG C C 13 177.404 0.000 . 1 . . . . 251 ARG C . 25021 1 405 . 1 1 108 108 ARG CA C 13 57.967 0.000 . 1 . . . . 251 ARG CA . 25021 1 406 . 1 1 108 108 ARG CB C 13 29.302 0.015 . 1 . . . . 251 ARG CB . 25021 1 407 . 1 1 108 108 ARG N N 15 124.260 0.028 . 1 . . . . 251 ARG N . 25021 1 408 . 1 1 109 109 ALA H H 1 7.354 0.026 . 1 . . . . 252 ALA H . 25021 1 409 . 1 1 109 109 ALA C C 13 175.518 0.000 . 1 . . . . 252 ALA C . 25021 1 410 . 1 1 109 109 ALA CA C 13 51.249 0.000 . 1 . . . . 252 ALA CA . 25021 1 411 . 1 1 109 109 ALA CB C 13 18.399 0.000 . 1 . . . . 252 ALA CB . 25021 1 412 . 1 1 109 109 ALA N N 15 118.169 0.177 . 1 . . . . 252 ALA N . 25021 1 413 . 1 1 110 110 SER H H 1 7.785 0.007 . 1 . . . . 253 SER H . 25021 1 414 . 1 1 110 110 SER C C 13 175.846 0.000 . 1 . . . . 253 SER C . 25021 1 415 . 1 1 110 110 SER CA C 13 58.028 0.000 . 1 . . . . 253 SER CA . 25021 1 416 . 1 1 110 110 SER CB C 13 60.666 0.000 . 1 . . . . 253 SER CB . 25021 1 417 . 1 1 110 110 SER N N 15 110.249 0.071 . 1 . . . . 253 SER N . 25021 1 418 . 1 1 111 111 CYS H H 1 7.261 0.009 . 1 . . . . 254 CYS H . 25021 1 419 . 1 1 111 111 CYS C C 13 174.366 0.000 . 1 . . . . 254 CYS C . 25021 1 420 . 1 1 111 111 CYS CA C 13 60.402 0.000 . 1 . . . . 254 CYS CA . 25021 1 421 . 1 1 111 111 CYS CB C 13 26.281 0.000 . 1 . . . . 254 CYS CB . 25021 1 422 . 1 1 111 111 CYS N N 15 111.520 0.088 . 1 . . . . 254 CYS N . 25021 1 423 . 1 1 112 112 PHE H H 1 8.150 0.004 . 1 . . . . 255 PHE H . 25021 1 424 . 1 1 112 112 PHE C C 13 176.487 0.000 . 1 . . . . 255 PHE C . 25021 1 425 . 1 1 112 112 PHE CA C 13 55.211 0.000 . 1 . . . . 255 PHE CA . 25021 1 426 . 1 1 112 112 PHE CB C 13 39.808 0.000 . 1 . . . . 255 PHE CB . 25021 1 427 . 1 1 112 112 PHE N N 15 113.623 0.062 . 1 . . . . 255 PHE N . 25021 1 428 . 1 1 113 113 LYS H H 1 9.256 0.000 . 1 . . . . 256 LYS H . 25021 1 429 . 1 1 113 113 LYS C C 13 176.800 0.000 . 1 . . . . 256 LYS C . 25021 1 430 . 1 1 113 113 LYS CA C 13 54.868 0.000 . 1 . . . . 256 LYS CA . 25021 1 431 . 1 1 113 113 LYS CB C 13 32.659 0.000 . 1 . . . . 256 LYS CB . 25021 1 432 . 1 1 113 113 LYS N N 15 122.077 0.000 . 1 . . . . 256 LYS N . 25021 1 433 . 1 1 115 115 THR C C 13 174.601 0.000 . 1 . . . . 258 THR C . 25021 1 434 . 1 1 115 115 THR CA C 13 60.926 0.000 . 1 . . . . 258 THR CA . 25021 1 435 . 1 1 115 115 THR CB C 13 69.580 0.000 . 1 . . . . 258 THR CB . 25021 1 436 . 1 1 116 116 LYS H H 1 8.500 0.000 . 1 . . . . 259 LYS H . 25021 1 437 . 1 1 116 116 LYS C C 13 176.170 0.000 . 1 . . . . 259 LYS C . 25021 1 438 . 1 1 116 116 LYS CA C 13 55.838 0.000 . 1 . . . . 259 LYS CA . 25021 1 439 . 1 1 116 116 LYS CB C 13 32.057 0.000 . 1 . . . . 259 LYS CB . 25021 1 440 . 1 1 116 116 LYS N N 15 125.342 0.000 . 1 . . . . 259 LYS N . 25021 1 441 . 1 1 117 117 ARG H H 1 8.720 0.000 . 1 . . . . 260 ARG H . 25021 1 442 . 1 1 117 117 ARG CA C 13 54.424 0.000 . 1 . . . . 260 ARG CA . 25021 1 443 . 1 1 117 117 ARG N N 15 124.970 0.000 . 1 . . . . 260 ARG N . 25021 1 444 . 1 1 120 120 ASP CA C 13 51.038 0.000 . 1 . . . . 263 ASP CA . 25021 1 445 . 1 1 121 121 SER CA C 13 58.063 0.000 . 1 . . . . 264 SER CA . 25021 1 446 . 1 1 121 121 SER CB C 13 60.773 0.000 . 1 . . . . 264 SER CB . 25021 1 447 . 1 1 122 122 SER CA C 13 58.038 0.000 . 1 . . . . 265 SER CA . 25021 1 448 . 1 1 122 122 SER CB C 13 60.504 0.000 . 1 . . . . 265 SER CB . 25021 1 449 . 1 1 123 123 LEU CA C 13 52.502 0.000 . 1 . . . . 266 LEU CA . 25021 1 450 . 1 1 124 124 MET C C 13 176.298 0.000 . 1 . . . . 267 MET C . 25021 1 451 . 1 1 124 124 MET CA C 13 54.124 0.000 . 1 . . . . 267 MET CA . 25021 1 452 . 1 1 125 125 GLN H H 1 8.339 0.000 . 1 . . . . 268 GLN H . 25021 1 453 . 1 1 125 125 GLN CA C 13 52.591 0.000 . 1 . . . . 268 GLN CA . 25021 1 454 . 1 1 125 125 GLN N N 15 118.422 0.000 . 1 . . . . 268 GLN N . 25021 1 455 . 1 1 126 126 LEU C C 13 178.313 0.000 . 1 . . . . 269 LEU C . 25021 1 456 . 1 1 126 126 LEU CA C 13 54.562 0.000 . 1 . . . . 269 LEU CA . 25021 1 457 . 1 1 126 126 LEU CB C 13 42.501 0.000 . 1 . . . . 269 LEU CB . 25021 1 458 . 1 1 127 127 LYS H H 1 8.554 0.006 . 1 . . . . 270 LYS H . 25021 1 459 . 1 1 127 127 LYS C C 13 178.028 0.000 . 1 . . . . 270 LYS C . 25021 1 460 . 1 1 127 127 LYS CA C 13 57.709 0.000 . 1 . . . . 270 LYS CA . 25021 1 461 . 1 1 127 127 LYS CB C 13 31.716 0.000 . 1 . . . . 270 LYS CB . 25021 1 462 . 1 1 127 127 LYS N N 15 126.651 0.075 . 1 . . . . 270 LYS N . 25021 1 463 . 1 1 128 128 GLU H H 1 9.267 0.008 . 1 . . . . 271 GLU H . 25021 1 464 . 1 1 128 128 GLU C C 13 178.264 0.000 . 1 . . . . 271 GLU C . 25021 1 465 . 1 1 128 128 GLU CA C 13 60.561 0.000 . 1 . . . . 271 GLU CA . 25021 1 466 . 1 1 128 128 GLU CB C 13 28.232 0.000 . 1 . . . . 271 GLU CB . 25021 1 467 . 1 1 128 128 GLU N N 15 122.667 0.031 . 1 . . . . 271 GLU N . 25021 1 468 . 1 1 129 129 GLU H H 1 9.707 0.016 . 1 . . . . 272 GLU H . 25021 1 469 . 1 1 129 129 GLU C C 13 177.125 0.000 . 1 . . . . 272 GLU C . 25021 1 470 . 1 1 129 129 GLU CA C 13 57.302 0.000 . 1 . . . . 272 GLU CA . 25021 1 471 . 1 1 129 129 GLU CB C 13 26.901 0.000 . 1 . . . . 272 GLU CB . 25021 1 472 . 1 1 129 129 GLU N N 15 116.393 0.116 . 1 . . . . 272 GLU N . 25021 1 473 . 1 1 130 130 PHE H H 1 7.837 0.018 . 1 . . . . 273 PHE H . 25021 1 474 . 1 1 130 130 PHE C C 13 173.991 0.000 . 1 . . . . 273 PHE C . 25021 1 475 . 1 1 130 130 PHE CA C 13 54.163 0.000 . 1 . . . . 273 PHE CA . 25021 1 476 . 1 1 130 130 PHE CB C 13 38.207 0.000 . 1 . . . . 273 PHE CB . 25021 1 477 . 1 1 130 130 PHE N N 15 118.962 0.083 . 1 . . . . 273 PHE N . 25021 1 478 . 1 1 131 131 ARG H H 1 6.998 0.016 . 1 . . . . 274 ARG H . 25021 1 479 . 1 1 131 131 ARG C C 13 175.436 0.000 . 1 . . . . 274 ARG C . 25021 1 480 . 1 1 131 131 ARG CA C 13 56.254 0.000 . 1 . . . . 274 ARG CA . 25021 1 481 . 1 1 131 131 ARG CB C 13 27.824 0.000 . 1 . . . . 274 ARG CB . 25021 1 482 . 1 1 131 131 ARG N N 15 114.502 0.068 . 1 . . . . 274 ARG N . 25021 1 483 . 1 1 132 132 THR H H 1 7.314 0.008 . 1 . . . . 275 THR H . 25021 1 484 . 1 1 132 132 THR C C 13 174.319 0.000 . 1 . . . . 275 THR C . 25021 1 485 . 1 1 132 132 THR CA C 13 59.043 0.000 . 1 . . . . 275 THR CA . 25021 1 486 . 1 1 132 132 THR CB C 13 71.473 0.000 . 1 . . . . 275 THR CB . 25021 1 487 . 1 1 132 132 THR N N 15 107.707 0.149 . 1 . . . . 275 THR N . 25021 1 488 . 1 1 133 133 TYR H H 1 9.396 0.005 . 1 . . . . 276 TYR H . 25021 1 489 . 1 1 133 133 TYR C C 13 176.621 0.000 . 1 . . . . 276 TYR C . 25021 1 490 . 1 1 133 133 TYR CA C 13 62.321 0.000 . 1 . . . . 276 TYR CA . 25021 1 491 . 1 1 133 133 TYR CB C 13 36.521 0.000 . 1 . . . . 276 TYR CB . 25021 1 492 . 1 1 133 133 TYR N N 15 123.802 0.094 . 1 . . . . 276 TYR N . 25021 1 493 . 1 1 134 134 GLU H H 1 9.109 0.014 . 1 . . . . 277 GLU H . 25021 1 494 . 1 1 134 134 GLU C C 13 179.444 0.000 . 1 . . . . 277 GLU C . 25021 1 495 . 1 1 134 134 GLU CA C 13 59.796 0.000 . 1 . . . . 277 GLU CA . 25021 1 496 . 1 1 134 134 GLU CB C 13 27.813 0.000 . 1 . . . . 277 GLU CB . 25021 1 497 . 1 1 134 134 GLU N N 15 116.690 0.053 . 1 . . . . 277 GLU N . 25021 1 498 . 1 1 135 135 ALA H H 1 7.284 0.006 . 1 . . . . 278 ALA H . 25021 1 499 . 1 1 135 135 ALA C C 13 180.455 0.000 . 1 . . . . 278 ALA C . 25021 1 500 . 1 1 135 135 ALA CA C 13 54.223 0.000 . 1 . . . . 278 ALA CA . 25021 1 501 . 1 1 135 135 ALA CB C 13 19.178 0.000 . 1 . . . . 278 ALA CB . 25021 1 502 . 1 1 135 135 ALA N N 15 119.624 0.078 . 1 . . . . 278 ALA N . 25021 1 503 . 1 1 136 136 LEU H H 1 8.210 0.013 . 1 . . . . 279 LEU H . 25021 1 504 . 1 1 136 136 LEU C C 13 179.076 0.000 . 1 . . . . 279 LEU C . 25021 1 505 . 1 1 136 136 LEU CA C 13 57.758 0.000 . 1 . . . . 279 LEU CA . 25021 1 506 . 1 1 136 136 LEU CB C 13 41.055 0.000 . 1 . . . . 279 LEU CB . 25021 1 507 . 1 1 136 136 LEU N N 15 120.356 0.140 . 1 . . . . 279 LEU N . 25021 1 508 . 1 1 137 137 ARG H H 1 9.101 0.021 . 1 . . . . 280 ARG H . 25021 1 509 . 1 1 137 137 ARG C C 13 178.257 0.000 . 1 . . . . 280 ARG C . 25021 1 510 . 1 1 137 137 ARG CA C 13 55.740 0.000 . 1 . . . . 280 ARG CA . 25021 1 511 . 1 1 137 137 ARG CB C 13 27.202 0.000 . 1 . . . . 280 ARG CB . 25021 1 512 . 1 1 137 137 ARG N N 15 116.743 0.228 . 1 . . . . 280 ARG N . 25021 1 513 . 1 1 138 138 ARG H H 1 7.587 0.013 . 1 . . . . 281 ARG H . 25021 1 514 . 1 1 138 138 ARG C C 13 178.433 0.000 . 1 . . . . 281 ARG C . 25021 1 515 . 1 1 138 138 ARG CA C 13 59.978 0.000 . 1 . . . . 281 ARG CA . 25021 1 516 . 1 1 138 138 ARG CB C 13 28.235 0.000 . 1 . . . . 281 ARG CB . 25021 1 517 . 1 1 138 138 ARG N N 15 119.249 0.187 . 1 . . . . 281 ARG N . 25021 1 518 . 1 1 139 139 GLU H H 1 7.369 0.019 . 1 . . . . 282 GLU H . 25021 1 519 . 1 1 139 139 GLU C C 13 179.610 0.000 . 1 . . . . 282 GLU C . 25021 1 520 . 1 1 139 139 GLU CA C 13 58.200 0.000 . 1 . . . . 282 GLU CA . 25021 1 521 . 1 1 139 139 GLU CB C 13 27.912 0.000 . 1 . . . . 282 GLU CB . 25021 1 522 . 1 1 139 139 GLU N N 15 118.874 0.112 . 1 . . . . 282 GLU N . 25021 1 523 . 1 1 140 140 HIS H H 1 8.079 0.017 . 1 . . . . 283 HIS H . 25021 1 524 . 1 1 140 140 HIS C C 13 175.823 0.000 . 1 . . . . 283 HIS C . 25021 1 525 . 1 1 140 140 HIS CA C 13 59.456 0.000 . 1 . . . . 283 HIS CA . 25021 1 526 . 1 1 140 140 HIS CB C 13 27.764 0.000 . 1 . . . . 283 HIS CB . 25021 1 527 . 1 1 140 140 HIS N N 15 118.556 0.132 . 1 . . . . 283 HIS N . 25021 1 528 . 1 1 141 141 ASP H H 1 8.937 0.004 . 1 . . . . 284 ASP H . 25021 1 529 . 1 1 141 141 ASP C C 13 177.861 0.000 . 1 . . . . 284 ASP C . 25021 1 530 . 1 1 141 141 ASP CA C 13 56.635 0.000 . 1 . . . . 284 ASP CA . 25021 1 531 . 1 1 141 141 ASP CB C 13 39.285 0.000 . 1 . . . . 284 ASP CB . 25021 1 532 . 1 1 141 141 ASP N N 15 119.130 0.057 . 1 . . . . 284 ASP N . 25021 1 533 . 1 1 142 142 SER H H 1 8.194 0.003 . 1 . . . . 285 SER H . 25021 1 534 . 1 1 142 142 SER C C 13 176.145 0.000 . 1 . . . . 285 SER C . 25021 1 535 . 1 1 142 142 SER CA C 13 60.564 0.000 . 1 . . . . 285 SER CA . 25021 1 536 . 1 1 142 142 SER CB C 13 62.086 0.000 . 1 . . . . 285 SER CB . 25021 1 537 . 1 1 142 142 SER N N 15 112.662 0.020 . 1 . . . . 285 SER N . 25021 1 538 . 1 1 143 143 GLN H H 1 7.777 0.033 . 1 . . . . 286 GLN H . 25021 1 539 . 1 1 143 143 GLN C C 13 177.763 0.000 . 1 . . . . 286 GLN C . 25021 1 540 . 1 1 143 143 GLN CA C 13 57.090 0.000 . 1 . . . . 286 GLN CA . 25021 1 541 . 1 1 143 143 GLN CB C 13 26.050 0.000 . 1 . . . . 286 GLN CB . 25021 1 542 . 1 1 143 143 GLN N N 15 119.327 0.207 . 1 . . . . 286 GLN N . 25021 1 543 . 1 1 144 144 ILE H H 1 7.264 0.003 . 1 . . . . 287 ILE H . 25021 1 544 . 1 1 144 144 ILE C C 13 177.371 0.000 . 1 . . . . 287 ILE C . 25021 1 545 . 1 1 144 144 ILE CA C 13 65.669 0.000 . 1 . . . . 287 ILE CA . 25021 1 546 . 1 1 144 144 ILE CB C 13 35.540 0.000 . 1 . . . . 287 ILE CB . 25021 1 547 . 1 1 144 144 ILE N N 15 118.261 0.012 . 1 . . . . 287 ILE N . 25021 1 548 . 1 1 145 145 VAL H H 1 7.491 0.029 . 1 . . . . 288 VAL H . 25021 1 549 . 1 1 145 145 VAL C C 13 178.447 0.000 . 1 . . . . 288 VAL C . 25021 1 550 . 1 1 145 145 VAL CA C 13 65.065 0.000 . 1 . . . . 288 VAL CA . 25021 1 551 . 1 1 145 145 VAL CB C 13 29.284 0.000 . 1 . . . . 288 VAL CB . 25021 1 552 . 1 1 145 145 VAL N N 15 119.461 0.183 . 1 . . . . 288 VAL N . 25021 1 553 . 1 1 146 146 GLN H H 1 8.424 0.011 . 1 . . . . 289 GLN H . 25021 1 554 . 1 1 146 146 GLN C C 13 179.468 0.000 . 1 . . . . 289 GLN C . 25021 1 555 . 1 1 146 146 GLN CA C 13 59.221 0.000 . 1 . . . . 289 GLN CA . 25021 1 556 . 1 1 146 146 GLN CB C 13 27.753 0.000 . 1 . . . . 289 GLN CB . 25021 1 557 . 1 1 146 146 GLN N N 15 119.798 0.142 . 1 . . . . 289 GLN N . 25021 1 558 . 1 1 147 147 ILE H H 1 8.167 0.015 . 1 . . . . 290 ILE H . 25021 1 559 . 1 1 147 147 ILE C C 13 178.387 0.000 . 1 . . . . 290 ILE C . 25021 1 560 . 1 1 147 147 ILE CA C 13 65.304 0.000 . 1 . . . . 290 ILE CA . 25021 1 561 . 1 1 147 147 ILE CB C 13 36.632 0.000 . 1 . . . . 290 ILE CB . 25021 1 562 . 1 1 147 147 ILE N N 15 121.337 0.170 . 1 . . . . 290 ILE N . 25021 1 563 . 1 1 148 148 ALA H H 1 8.162 0.017 . 1 . . . . 291 ALA H . 25021 1 564 . 1 1 148 148 ALA C C 13 180.008 0.000 . 1 . . . . 291 ALA C . 25021 1 565 . 1 1 148 148 ALA CA C 13 55.165 0.000 . 1 . . . . 291 ALA CA . 25021 1 566 . 1 1 148 148 ALA CB C 13 17.462 0.000 . 1 . . . . 291 ALA CB . 25021 1 567 . 1 1 148 148 ALA N N 15 121.872 0.164 . 1 . . . . 291 ALA N . 25021 1 568 . 1 1 149 149 MET H H 1 8.727 0.005 . 1 . . . . 292 MET H . 25021 1 569 . 1 1 149 149 MET C C 13 181.570 0.000 . 1 . . . . 292 MET C . 25021 1 570 . 1 1 149 149 MET CA C 13 58.717 0.000 . 1 . . . . 292 MET CA . 25021 1 571 . 1 1 149 149 MET CB C 13 31.463 0.000 . 1 . . . . 292 MET CB . 25021 1 572 . 1 1 149 149 MET N N 15 117.137 0.065 . 1 . . . . 292 MET N . 25021 1 573 . 1 1 150 150 GLU H H 1 8.452 0.016 . 1 . . . . 293 GLU H . 25021 1 574 . 1 1 150 150 GLU C C 13 178.402 0.000 . 1 . . . . 293 GLU C . 25021 1 575 . 1 1 150 150 GLU CA C 13 58.771 0.000 . 1 . . . . 293 GLU CA . 25021 1 576 . 1 1 150 150 GLU CB C 13 28.387 0.000 . 1 . . . . 293 GLU CB . 25021 1 577 . 1 1 150 150 GLU N N 15 122.257 0.121 . 1 . . . . 293 GLU N . 25021 1 578 . 1 1 151 151 ALA H H 1 7.722 0.028 . 1 . . . . 294 ALA H . 25021 1 579 . 1 1 151 151 ALA C C 13 177.352 0.000 . 1 . . . . 294 ALA C . 25021 1 580 . 1 1 151 151 ALA CA C 13 51.362 0.000 . 1 . . . . 294 ALA CA . 25021 1 581 . 1 1 151 151 ALA CB C 13 17.707 0.000 . 1 . . . . 294 ALA CB . 25021 1 582 . 1 1 151 151 ALA N N 15 119.527 0.155 . 1 . . . . 294 ALA N . 25021 1 583 . 1 1 152 152 GLY H H 1 7.755 0.008 . 1 . . . . 295 GLY H . 25021 1 584 . 1 1 152 152 GLY C C 13 174.680 0.000 . 1 . . . . 295 GLY C . 25021 1 585 . 1 1 152 152 GLY CA C 13 45.169 0.000 . 1 . . . . 295 GLY CA . 25021 1 586 . 1 1 152 152 GLY N N 15 107.247 0.156 . 1 . . . . 295 GLY N . 25021 1 587 . 1 1 153 153 LEU H H 1 8.189 0.018 . 1 . . . . 296 LEU H . 25021 1 588 . 1 1 153 153 LEU C C 13 176.301 0.000 . 1 . . . . 296 LEU C . 25021 1 589 . 1 1 153 153 LEU CA C 13 53.363 0.000 . 1 . . . . 296 LEU CA . 25021 1 590 . 1 1 153 153 LEU CB C 13 40.960 0.000 . 1 . . . . 296 LEU CB . 25021 1 591 . 1 1 153 153 LEU N N 15 120.360 0.211 . 1 . . . . 296 LEU N . 25021 1 592 . 1 1 154 154 ARG H H 1 8.455 0.019 . 1 . . . . 297 ARG H . 25021 1 593 . 1 1 154 154 ARG C C 13 174.335 0.000 . 1 . . . . 297 ARG C . 25021 1 594 . 1 1 154 154 ARG CA C 13 54.621 0.000 . 1 . . . . 297 ARG CA . 25021 1 595 . 1 1 154 154 ARG CB C 13 28.904 0.000 . 1 . . . . 297 ARG CB . 25021 1 596 . 1 1 154 154 ARG N N 15 125.780 0.171 . 1 . . . . 297 ARG N . 25021 1 597 . 1 1 155 155 ILE H H 1 8.408 0.018 . 1 . . . . 298 ILE H . 25021 1 598 . 1 1 155 155 ILE C C 13 175.220 0.000 . 1 . . . . 298 ILE C . 25021 1 599 . 1 1 155 155 ILE CA C 13 60.341 0.000 . 1 . . . . 298 ILE CA . 25021 1 600 . 1 1 155 155 ILE CB C 13 39.032 0.000 . 1 . . . . 298 ILE CB . 25021 1 601 . 1 1 155 155 ILE N N 15 127.166 0.177 . 1 . . . . 298 ILE N . 25021 1 602 . 1 1 156 156 ALA H H 1 8.585 0.011 . 1 . . . . 299 ALA H . 25021 1 603 . 1 1 156 156 ALA C C 13 177.658 0.000 . 1 . . . . 299 ALA C . 25021 1 604 . 1 1 156 156 ALA CA C 13 50.602 0.000 . 1 . . . . 299 ALA CA . 25021 1 605 . 1 1 156 156 ALA CB C 13 17.576 0.000 . 1 . . . . 299 ALA CB . 25021 1 606 . 1 1 156 156 ALA N N 15 130.580 0.149 . 1 . . . . 299 ALA N . 25021 1 607 . 1 1 157 157 PRO C C 13 177.588 0.000 . 1 . . . . 300 PRO C . 25021 1 608 . 1 1 157 157 PRO CA C 13 66.586 0.000 . 1 . . . . 300 PRO CA . 25021 1 609 . 1 1 157 157 PRO CB C 13 31.219 0.000 . 1 . . . . 300 PRO CB . 25021 1 610 . 1 1 158 158 ASP H H 1 8.893 0.016 . 1 . . . . 301 ASP H . 25021 1 611 . 1 1 158 158 ASP C C 13 178.498 0.000 . 1 . . . . 301 ASP C . 25021 1 612 . 1 1 158 158 ASP CA C 13 56.522 0.000 . 1 . . . . 301 ASP CA . 25021 1 613 . 1 1 158 158 ASP CB C 13 38.173 0.000 . 1 . . . . 301 ASP CB . 25021 1 614 . 1 1 158 158 ASP N N 15 115.253 0.136 . 1 . . . . 301 ASP N . 25021 1 615 . 1 1 159 159 GLN H H 1 7.358 0.009 . 1 . . . . 302 GLN H . 25021 1 616 . 1 1 159 159 GLN C C 13 178.991 0.000 . 1 . . . . 302 GLN C . 25021 1 617 . 1 1 159 159 GLN CA C 13 57.445 0.000 . 1 . . . . 302 GLN CA . 25021 1 618 . 1 1 159 159 GLN CB C 13 26.868 0.000 . 1 . . . . 302 GLN CB . 25021 1 619 . 1 1 159 159 GLN N N 15 122.872 0.177 . 1 . . . . 302 GLN N . 25021 1 620 . 1 1 160 160 TRP H H 1 8.689 0.006 . 1 . . . . 303 TRP H . 25021 1 621 . 1 1 160 160 TRP HE1 H 1 9.450 0.024 . 1 . . . . 303 TRP HE1 . 25021 1 622 . 1 1 160 160 TRP C C 13 178.908 0.000 . 1 . . . . 303 TRP C . 25021 1 623 . 1 1 160 160 TRP CA C 13 59.965 0.000 . 1 . . . . 303 TRP CA . 25021 1 624 . 1 1 160 160 TRP CB C 13 30.100 0.000 . 1 . . . . 303 TRP CB . 25021 1 625 . 1 1 160 160 TRP N N 15 118.809 0.069 . 1 . . . . 303 TRP N . 25021 1 626 . 1 1 160 160 TRP NE1 N 15 129.386 0.176 . 1 . . . . 303 TRP NE1 . 25021 1 627 . 1 1 161 161 SER H H 1 8.055 0.021 . 1 . . . . 304 SER H . 25021 1 628 . 1 1 161 161 SER C C 13 177.836 0.000 . 1 . . . . 304 SER C . 25021 1 629 . 1 1 161 161 SER CA C 13 62.081 0.000 . 1 . . . . 304 SER CA . 25021 1 630 . 1 1 161 161 SER CB C 13 62.843 0.000 . 1 . . . . 304 SER CB . 25021 1 631 . 1 1 161 161 SER N N 15 110.650 0.123 . 1 . . . . 304 SER N . 25021 1 632 . 1 1 162 162 SER H H 1 7.712 0.010 . 1 . . . . 305 SER H . 25021 1 633 . 1 1 162 162 SER C C 13 178.111 0.000 . 1 . . . . 305 SER C . 25021 1 634 . 1 1 162 162 SER CA C 13 62.126 0.000 . 1 . . . . 305 SER CA . 25021 1 635 . 1 1 162 162 SER CB C 13 59.688 0.000 . 1 . . . . 305 SER CB . 25021 1 636 . 1 1 162 162 SER N N 15 115.301 0.015 . 1 . . . . 305 SER N . 25021 1 637 . 1 1 163 163 LEU H H 1 8.667 0.002 . 1 . . . . 306 LEU H . 25021 1 638 . 1 1 163 163 LEU C C 13 178.698 0.000 . 1 . . . . 306 LEU C . 25021 1 639 . 1 1 163 163 LEU CA C 13 57.378 0.000 . 1 . . . . 306 LEU CA . 25021 1 640 . 1 1 163 163 LEU CB C 13 41.758 0.000 . 1 . . . . 306 LEU CB . 25021 1 641 . 1 1 163 163 LEU N N 15 121.078 0.104 . 1 . . . . 306 LEU N . 25021 1 642 . 1 1 164 164 LEU H H 1 8.323 0.006 . 1 . . . . 307 LEU H . 25021 1 643 . 1 1 164 164 LEU C C 13 177.659 0.000 . 1 . . . . 307 LEU C . 25021 1 644 . 1 1 164 164 LEU CA C 13 54.853 0.000 . 1 . . . . 307 LEU CA . 25021 1 645 . 1 1 164 164 LEU CB C 13 42.210 0.000 . 1 . . . . 307 LEU CB . 25021 1 646 . 1 1 164 164 LEU N N 15 111.174 0.129 . 1 . . . . 307 LEU N . 25021 1 647 . 1 1 165 165 TYR H H 1 8.301 0.016 . 1 . . . . 308 TYR H . 25021 1 648 . 1 1 165 165 TYR C C 13 176.876 0.000 . 1 . . . . 308 TYR C . 25021 1 649 . 1 1 165 165 TYR CA C 13 58.900 0.000 . 1 . . . . 308 TYR CA . 25021 1 650 . 1 1 165 165 TYR CB C 13 39.563 0.000 . 1 . . . . 308 TYR CB . 25021 1 651 . 1 1 165 165 TYR N N 15 112.663 0.094 . 1 . . . . 308 TYR N . 25021 1 652 . 1 1 166 166 GLY H H 1 8.087 0.006 . 1 . . . . 309 GLY H . 25021 1 653 . 1 1 166 166 GLY C C 13 173.303 0.000 . 1 . . . . 309 GLY C . 25021 1 654 . 1 1 166 166 GLY CA C 13 45.587 0.000 . 1 . . . . 309 GLY CA . 25021 1 655 . 1 1 166 166 GLY N N 15 109.383 0.144 . 1 . . . . 309 GLY N . 25021 1 656 . 1 1 167 167 ASP H H 1 7.561 0.000 . 1 . . . . 310 ASP H . 25021 1 657 . 1 1 167 167 ASP C C 13 177.140 0.000 . 1 . . . . 310 ASP C . 25021 1 658 . 1 1 167 167 ASP CA C 13 52.481 0.000 . 1 . . . . 310 ASP CA . 25021 1 659 . 1 1 167 167 ASP CB C 13 41.762 0.000 . 1 . . . . 310 ASP CB . 25021 1 660 . 1 1 167 167 ASP N N 15 115.883 0.000 . 1 . . . . 310 ASP N . 25021 1 661 . 1 1 168 168 GLN C C 13 177.604 0.000 . 1 . . . . 311 GLN C . 25021 1 662 . 1 1 168 168 GLN CA C 13 54.498 0.000 . 1 . . . . 311 GLN CA . 25021 1 663 . 1 1 169 169 SER H H 1 8.577 0.000 . 1 . . . . 312 SER H . 25021 1 664 . 1 1 169 169 SER C C 13 174.923 0.000 . 1 . . . . 312 SER C . 25021 1 665 . 1 1 169 169 SER CA C 13 59.083 0.000 . 1 . . . . 312 SER CA . 25021 1 666 . 1 1 169 169 SER CB C 13 62.710 0.000 . 1 . . . . 312 SER CB . 25021 1 667 . 1 1 169 169 SER N N 15 116.396 0.000 . 1 . . . . 312 SER N . 25021 1 668 . 1 1 170 170 HIS H H 1 7.632 0.000 . 1 . . . . 313 HIS H . 25021 1 669 . 1 1 170 170 HIS C C 13 175.154 0.000 . 1 . . . . 313 HIS C . 25021 1 670 . 1 1 170 170 HIS CA C 13 55.502 0.000 . 1 . . . . 313 HIS CA . 25021 1 671 . 1 1 170 170 HIS CB C 13 27.219 0.000 . 1 . . . . 313 HIS CB . 25021 1 672 . 1 1 170 170 HIS N N 15 117.818 0.000 . 1 . . . . 313 HIS N . 25021 1 673 . 1 1 171 171 LYS H H 1 7.570 0.000 . 1 . . . . 314 LYS H . 25021 1 674 . 1 1 171 171 LYS C C 13 178.038 0.000 . 1 . . . . 314 LYS C . 25021 1 675 . 1 1 171 171 LYS CA C 13 60.775 0.000 . 1 . . . . 314 LYS CA . 25021 1 676 . 1 1 171 171 LYS CB C 13 30.998 0.000 . 1 . . . . 314 LYS CB . 25021 1 677 . 1 1 171 171 LYS N N 15 122.291 0.000 . 1 . . . . 314 LYS N . 25021 1 678 . 1 1 172 172 SER H H 1 8.458 0.000 . 1 . . . . 315 SER H . 25021 1 679 . 1 1 172 172 SER C C 13 177.304 0.000 . 1 . . . . 315 SER C . 25021 1 680 . 1 1 172 172 SER CA C 13 62.913 0.000 . 1 . . . . 315 SER CA . 25021 1 681 . 1 1 172 172 SER N N 15 115.987 0.000 . 1 . . . . 315 SER N . 25021 1 682 . 1 1 173 173 HIS H H 1 7.929 0.000 . 1 . . . . 316 HIS H . 25021 1 683 . 1 1 173 173 HIS C C 13 178.270 0.000 . 1 . . . . 316 HIS C . 25021 1 684 . 1 1 173 173 HIS CA C 13 59.022 0.000 . 1 . . . . 316 HIS CA . 25021 1 685 . 1 1 173 173 HIS N N 15 123.418 0.000 . 1 . . . . 316 HIS N . 25021 1 686 . 1 1 174 174 MET H H 1 8.004 0.000 . 1 . . . . 317 MET H . 25021 1 687 . 1 1 174 174 MET C C 13 179.073 0.000 . 1 . . . . 317 MET C . 25021 1 688 . 1 1 174 174 MET CA C 13 54.821 0.000 . 1 . . . . 317 MET CA . 25021 1 689 . 1 1 174 174 MET CB C 13 38.130 0.000 . 1 . . . . 317 MET CB . 25021 1 690 . 1 1 174 174 MET N N 15 115.074 0.000 . 1 . . . . 317 MET N . 25021 1 691 . 1 1 175 175 GLN H H 1 8.713 0.024 . 1 . . . . 318 GLN H . 25021 1 692 . 1 1 175 175 GLN C C 13 177.543 0.000 . 1 . . . . 318 GLN C . 25021 1 693 . 1 1 175 175 GLN CA C 13 58.208 0.000 . 1 . . . . 318 GLN CA . 25021 1 694 . 1 1 175 175 GLN CB C 13 27.421 0.000 . 1 . . . . 318 GLN CB . 25021 1 695 . 1 1 175 175 GLN N N 15 120.783 0.195 . 1 . . . . 318 GLN N . 25021 1 696 . 1 1 176 176 SER H H 1 7.952 0.012 . 1 . . . . 319 SER H . 25021 1 697 . 1 1 176 176 SER C C 13 177.149 0.000 . 1 . . . . 319 SER C . 25021 1 698 . 1 1 176 176 SER CA C 13 60.798 0.000 . 1 . . . . 319 SER CA . 25021 1 699 . 1 1 176 176 SER CB C 13 61.794 0.000 . 1 . . . . 319 SER CB . 25021 1 700 . 1 1 176 176 SER N N 15 113.842 0.071 . 1 . . . . 319 SER N . 25021 1 701 . 1 1 177 177 ILE H H 1 7.125 0.031 . 1 . . . . 320 ILE H . 25021 1 702 . 1 1 177 177 ILE C C 13 178.220 0.000 . 1 . . . . 320 ILE C . 25021 1 703 . 1 1 177 177 ILE CA C 13 63.746 0.000 . 1 . . . . 320 ILE CA . 25021 1 704 . 1 1 177 177 ILE CB C 13 36.553 0.000 . 1 . . . . 320 ILE CB . 25021 1 705 . 1 1 177 177 ILE N N 15 122.270 0.156 . 1 . . . . 320 ILE N . 25021 1 706 . 1 1 178 178 ILE H H 1 7.969 0.018 . 1 . . . . 321 ILE H . 25021 1 707 . 1 1 178 178 ILE C C 13 178.906 0.000 . 1 . . . . 321 ILE C . 25021 1 708 . 1 1 178 178 ILE CA C 13 64.985 0.000 . 1 . . . . 321 ILE CA . 25021 1 709 . 1 1 178 178 ILE CB C 13 37.151 0.000 . 1 . . . . 321 ILE CB . 25021 1 710 . 1 1 178 178 ILE N N 15 120.679 0.125 . 1 . . . . 321 ILE N . 25021 1 711 . 1 1 179 179 ASP H H 1 8.588 0.015 . 1 . . . . 322 ASP H . 25021 1 712 . 1 1 179 179 ASP C C 13 179.265 0.000 . 1 . . . . 322 ASP C . 25021 1 713 . 1 1 179 179 ASP CA C 13 56.690 0.000 . 1 . . . . 322 ASP CA . 25021 1 714 . 1 1 179 179 ASP CB C 13 39.409 0.000 . 1 . . . . 322 ASP CB . 25021 1 715 . 1 1 179 179 ASP N N 15 118.863 0.125 . 1 . . . . 322 ASP N . 25021 1 716 . 1 1 180 180 LYS H H 1 7.285 0.013 . 1 . . . . 323 LYS H . 25021 1 717 . 1 1 180 180 LYS C C 13 178.287 0.000 . 1 . . . . 323 LYS C . 25021 1 718 . 1 1 180 180 LYS CA C 13 57.085 0.000 . 1 . . . . 323 LYS CA . 25021 1 719 . 1 1 180 180 LYS CB C 13 31.161 0.000 . 1 . . . . 323 LYS CB . 25021 1 720 . 1 1 180 180 LYS N N 15 118.219 0.138 . 1 . . . . 323 LYS N . 25021 1 721 . 1 1 181 181 LEU H H 1 7.444 0.006 . 1 . . . . 324 LEU H . 25021 1 722 . 1 1 181 181 LEU C C 13 177.846 0.000 . 1 . . . . 324 LEU C . 25021 1 723 . 1 1 181 181 LEU CA C 13 55.098 0.000 . 1 . . . . 324 LEU CA . 25021 1 724 . 1 1 181 181 LEU CB C 13 41.580 0.000 . 1 . . . . 324 LEU CB . 25021 1 725 . 1 1 181 181 LEU N N 15 118.584 0.143 . 1 . . . . 324 LEU N . 25021 1 726 . 1 1 182 182 GLN H H 1 7.697 0.021 . 1 . . . . 325 GLN H . 25021 1 727 . 1 1 182 182 GLN C C 13 175.541 0.000 . 1 . . . . 325 GLN C . 25021 1 728 . 1 1 182 182 GLN CA C 13 55.296 0.000 . 1 . . . . 325 GLN CA . 25021 1 729 . 1 1 182 182 GLN CB C 13 28.203 0.000 . 1 . . . . 325 GLN CB . 25021 1 730 . 1 1 182 182 GLN N N 15 118.539 0.195 . 1 . . . . 325 GLN N . 25021 1 731 . 1 1 183 183 THR H H 1 7.579 0.014 . 1 . . . . 326 THR H . 25021 1 732 . 1 1 183 183 THR C C 13 179.638 0.000 . 1 . . . . 326 THR C . 25021 1 733 . 1 1 183 183 THR CA C 13 62.986 0.000 . 1 . . . . 326 THR CA . 25021 1 734 . 1 1 183 183 THR CB C 13 70.026 0.000 . 1 . . . . 326 THR CB . 25021 1 735 . 1 1 183 183 THR N N 15 120.422 0.166 . 1 . . . . 326 THR N . 25021 1 stop_ save_