data_19996 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19996 _Entry.Title ; Backbone chemical shifts of the murine ROQUIN-1 ROQ domain in complex with Tnf CDE 23mer RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-05-30 _Entry.Accession_date 2014-05-30 _Entry.Last_release_date 2014-07-01 _Entry.Original_release_date 2014-07-01 _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) in complex with Tnf CDE 23mer RNA' _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 . . . 19996 2 Michael Sattler . . . 19996 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19996 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 166 19996 '13C chemical shifts' 444 19996 '15N chemical shifts' 166 19996 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 . . 2014-07-01 2014-05-30 original author . 19996 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25021 'Backbone chemical shifts of murine Roquin-1 ROQ domain (147-326), apo form' 19996 PDB 4QI2 'Crystal structure of ROQ domain in complex with Tnf CDE RNA' 19996 PDB 4QI0 'Crystal structure of ROQ domain' 19996 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19996 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structural basis for RNA recognition in roquin-mediated post-transcriptional gene regulation' _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _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 . . . 19996 1 2 Gitta Heinz A . . 19996 1 3 Robert Janowski . . . 19996 1 4 Arie Geerlof . . . 19996 1 5 Ralf Stehle . . . 19996 1 6 Vigo Heissmeyer . . . 19996 1 7 Dierk Niessing . . . 19996 1 8 Michael Sattler . . . 19996 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19996 _Assembly.ID 1 _Assembly.Name ROQ-Tnf _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 27763.3 _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 . . . 19996 1 2 Tnf 2 $Tnf_CDE_RNA_23mer B . no native no no . . . 19996 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 19996 _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 . . . . . . . . . . . . . . 19996 1 2 no BMRB 25021 . ROQ_domain_of_Roquin-1 . . . . . 100.00 183 100.00 100.00 3.43e-129 . . . . 19996 1 3 no PDB 3X1O . "Crystal Structure Of The Roq Domain Of Human Roquin" . . . . . 98.91 208 99.45 100.00 1.10e-126 . . . . 19996 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 . . . . 19996 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 . . . . 19996 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 . . . . 19996 1 7 no PDB 4TXA . "Crystal Structure Of N-terminus Of Roquin" . . . . . 98.91 484 98.90 99.45 1.97e-121 . . . . 19996 1 8 no PDB 4ULW . "Crystal Structure Of The Roq-domain Of Human Roquin1" . . . . . 81.97 152 100.00 100.00 2.51e-103 . . . . 19996 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 . . . . 19996 1 10 no DBJ BAC23121 . "KIAA2025 protein [Homo sapiens]" . . . . . 98.91 1109 99.45 100.00 5.22e-118 . . . . 19996 1 11 no DBJ BAD32613 . "mKIAA2025 protein [Mus musculus]" . . . . . 98.91 1136 99.45 100.00 1.51e-117 . . . . 19996 1 12 no DBJ BAE24092 . "unnamed protein product [Mus musculus]" . . . . . 98.91 1130 99.45 100.00 1.68e-117 . . . . 19996 1 13 no DBJ BAG53813 . "unnamed protein product [Homo sapiens]" . . . . . 98.91 1125 99.45 100.00 6.08e-118 . . . . 19996 1 14 no EMBL CAG07670 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 98.91 983 98.34 99.45 5.45e-117 . . . . 19996 1 15 no EMBL CDQ65000 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 97.81 1246 97.21 98.88 8.35e-113 . . . . 19996 1 16 no EMBL CDQ67780 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 98.91 1110 97.79 98.90 2.40e-115 . . . . 19996 1 17 no EMBL CDQ69323 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 98.91 1123 98.34 99.45 1.02e-116 . . . . 19996 1 18 no GB AAH68669 . "MGC81061 protein [Xenopus laevis]" . . . . . 98.91 1114 99.45 100.00 1.84e-117 . . . . 19996 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 . . . . 19996 1 20 no GB AAI38664 . "RING CCCH (C3H) domains 1 [Mus musculus]" . . . . . 98.91 1130 99.45 100.00 1.58e-117 . . . . 19996 1 21 no GB AAI44409 . "RC3H1 protein [Homo sapiens]" . . . . . 98.91 1124 99.45 100.00 5.92e-118 . . . . 19996 1 22 no GB AAI52932 . "RING CCCH (C3H) domains 1, partial [synthetic construct]" . . . . . 98.91 1130 99.45 100.00 1.58e-117 . . . . 19996 1 23 no REF NP_001020123 . "roquin-1 [Mus musculus]" . . . . . 98.91 1130 99.45 100.00 1.58e-117 . . . . 19996 1 24 no REF NP_001076328 . "roquin-1 [Danio rerio]" . . . . . 98.91 1078 98.90 99.45 5.74e-117 . . . . 19996 1 25 no REF NP_001084548 . "roquin-1 [Xenopus laevis]" . . . . . 98.91 1114 99.45 100.00 1.84e-117 . . . . 19996 1 26 no REF NP_001108155 . "roquin [Danio rerio]" . . . . . 98.91 1111 98.34 99.45 9.71e-117 . . . . 19996 1 27 no REF NP_001287779 . "roquin-1 isoform a [Homo sapiens]" . . . . . 98.91 1134 99.45 100.00 7.07e-118 . . . . 19996 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 . . . . 19996 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 . . . . 19996 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 . . . . 19996 1 31 no TPG DAA21174 . "TPA: hypothetical protein BOS_15973 [Bos taurus]" . . . . . 98.91 736 99.45 100.00 5.32e-121 . . . . 19996 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 . 19996 1 2 145 ALA . 19996 1 3 146 MET . 19996 1 4 147 GLU . 19996 1 5 148 GLU . 19996 1 6 149 GLU . 19996 1 7 150 GLY . 19996 1 8 151 ARG . 19996 1 9 152 ILE . 19996 1 10 153 ARG . 19996 1 11 154 ALA . 19996 1 12 155 MET . 19996 1 13 156 ARG . 19996 1 14 157 ALA . 19996 1 15 158 ALA . 19996 1 16 159 ARG . 19996 1 17 160 SER . 19996 1 18 161 LEU . 19996 1 19 162 GLY . 19996 1 20 163 GLU . 19996 1 21 164 ARG . 19996 1 22 165 THR . 19996 1 23 166 VAL . 19996 1 24 167 THR . 19996 1 25 168 GLU . 19996 1 26 169 LEU . 19996 1 27 170 ILE . 19996 1 28 171 LEU . 19996 1 29 172 GLN . 19996 1 30 173 HIS . 19996 1 31 174 GLN . 19996 1 32 175 ASN . 19996 1 33 176 PRO . 19996 1 34 177 GLN . 19996 1 35 178 GLN . 19996 1 36 179 LEU . 19996 1 37 180 SER . 19996 1 38 181 SER . 19996 1 39 182 ASN . 19996 1 40 183 LEU . 19996 1 41 184 TRP . 19996 1 42 185 ALA . 19996 1 43 186 ALA . 19996 1 44 187 VAL . 19996 1 45 188 ARG . 19996 1 46 189 ALA . 19996 1 47 190 ARG . 19996 1 48 191 GLY . 19996 1 49 192 CYS . 19996 1 50 193 GLN . 19996 1 51 194 PHE . 19996 1 52 195 LEU . 19996 1 53 196 GLY . 19996 1 54 197 PRO . 19996 1 55 198 ALA . 19996 1 56 199 MET . 19996 1 57 200 GLN . 19996 1 58 201 GLU . 19996 1 59 202 GLU . 19996 1 60 203 ALA . 19996 1 61 204 LEU . 19996 1 62 205 LYS . 19996 1 63 206 LEU . 19996 1 64 207 VAL . 19996 1 65 208 LEU . 19996 1 66 209 LEU . 19996 1 67 210 ALA . 19996 1 68 211 LEU . 19996 1 69 212 GLU . 19996 1 70 213 ASP . 19996 1 71 214 GLY . 19996 1 72 215 SER . 19996 1 73 216 ALA . 19996 1 74 217 LEU . 19996 1 75 218 SER . 19996 1 76 219 ARG . 19996 1 77 220 LYS . 19996 1 78 221 VAL . 19996 1 79 222 LEU . 19996 1 80 223 VAL . 19996 1 81 224 LEU . 19996 1 82 225 PHE . 19996 1 83 226 VAL . 19996 1 84 227 VAL . 19996 1 85 228 GLN . 19996 1 86 229 ARG . 19996 1 87 230 LEU . 19996 1 88 231 GLU . 19996 1 89 232 PRO . 19996 1 90 233 ARG . 19996 1 91 234 PHE . 19996 1 92 235 PRO . 19996 1 93 236 GLN . 19996 1 94 237 ALA . 19996 1 95 238 SER . 19996 1 96 239 LYS . 19996 1 97 240 THR . 19996 1 98 241 SER . 19996 1 99 242 ILE . 19996 1 100 243 GLY . 19996 1 101 244 HIS . 19996 1 102 245 VAL . 19996 1 103 246 VAL . 19996 1 104 247 GLN . 19996 1 105 248 LEU . 19996 1 106 249 LEU . 19996 1 107 250 TYR . 19996 1 108 251 ARG . 19996 1 109 252 ALA . 19996 1 110 253 SER . 19996 1 111 254 CYS . 19996 1 112 255 PHE . 19996 1 113 256 LYS . 19996 1 114 257 VAL . 19996 1 115 258 THR . 19996 1 116 259 LYS . 19996 1 117 260 ARG . 19996 1 118 261 ASP . 19996 1 119 262 GLU . 19996 1 120 263 ASP . 19996 1 121 264 SER . 19996 1 122 265 SER . 19996 1 123 266 LEU . 19996 1 124 267 MET . 19996 1 125 268 GLN . 19996 1 126 269 LEU . 19996 1 127 270 LYS . 19996 1 128 271 GLU . 19996 1 129 272 GLU . 19996 1 130 273 PHE . 19996 1 131 274 ARG . 19996 1 132 275 THR . 19996 1 133 276 TYR . 19996 1 134 277 GLU . 19996 1 135 278 ALA . 19996 1 136 279 LEU . 19996 1 137 280 ARG . 19996 1 138 281 ARG . 19996 1 139 282 GLU . 19996 1 140 283 HIS . 19996 1 141 284 ASP . 19996 1 142 285 SER . 19996 1 143 286 GLN . 19996 1 144 287 ILE . 19996 1 145 288 VAL . 19996 1 146 289 GLN . 19996 1 147 290 ILE . 19996 1 148 291 ALA . 19996 1 149 292 MET . 19996 1 150 293 GLU . 19996 1 151 294 ALA . 19996 1 152 295 GLY . 19996 1 153 296 LEU . 19996 1 154 297 ARG . 19996 1 155 298 ILE . 19996 1 156 299 ALA . 19996 1 157 300 PRO . 19996 1 158 301 ASP . 19996 1 159 302 GLN . 19996 1 160 303 TRP . 19996 1 161 304 SER . 19996 1 162 305 SER . 19996 1 163 306 LEU . 19996 1 164 307 LEU . 19996 1 165 308 TYR . 19996 1 166 309 GLY . 19996 1 167 310 ASP . 19996 1 168 311 GLN . 19996 1 169 312 SER . 19996 1 170 313 HIS . 19996 1 171 314 LYS . 19996 1 172 315 SER . 19996 1 173 316 HIS . 19996 1 174 317 MET . 19996 1 175 318 GLN . 19996 1 176 319 SER . 19996 1 177 320 ILE . 19996 1 178 321 ILE . 19996 1 179 322 ASP . 19996 1 180 323 LYS . 19996 1 181 324 LEU . 19996 1 182 325 GLN . 19996 1 183 326 THR . 19996 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 19996 1 . ALA 2 2 19996 1 . MET 3 3 19996 1 . GLU 4 4 19996 1 . GLU 5 5 19996 1 . GLU 6 6 19996 1 . GLY 7 7 19996 1 . ARG 8 8 19996 1 . ILE 9 9 19996 1 . ARG 10 10 19996 1 . ALA 11 11 19996 1 . MET 12 12 19996 1 . ARG 13 13 19996 1 . ALA 14 14 19996 1 . ALA 15 15 19996 1 . ARG 16 16 19996 1 . SER 17 17 19996 1 . LEU 18 18 19996 1 . GLY 19 19 19996 1 . GLU 20 20 19996 1 . ARG 21 21 19996 1 . THR 22 22 19996 1 . VAL 23 23 19996 1 . THR 24 24 19996 1 . GLU 25 25 19996 1 . LEU 26 26 19996 1 . ILE 27 27 19996 1 . LEU 28 28 19996 1 . GLN 29 29 19996 1 . HIS 30 30 19996 1 . GLN 31 31 19996 1 . ASN 32 32 19996 1 . PRO 33 33 19996 1 . GLN 34 34 19996 1 . GLN 35 35 19996 1 . LEU 36 36 19996 1 . SER 37 37 19996 1 . SER 38 38 19996 1 . ASN 39 39 19996 1 . LEU 40 40 19996 1 . TRP 41 41 19996 1 . ALA 42 42 19996 1 . ALA 43 43 19996 1 . VAL 44 44 19996 1 . ARG 45 45 19996 1 . ALA 46 46 19996 1 . ARG 47 47 19996 1 . GLY 48 48 19996 1 . CYS 49 49 19996 1 . GLN 50 50 19996 1 . PHE 51 51 19996 1 . LEU 52 52 19996 1 . GLY 53 53 19996 1 . PRO 54 54 19996 1 . ALA 55 55 19996 1 . MET 56 56 19996 1 . GLN 57 57 19996 1 . GLU 58 58 19996 1 . GLU 59 59 19996 1 . ALA 60 60 19996 1 . LEU 61 61 19996 1 . LYS 62 62 19996 1 . LEU 63 63 19996 1 . VAL 64 64 19996 1 . LEU 65 65 19996 1 . LEU 66 66 19996 1 . ALA 67 67 19996 1 . LEU 68 68 19996 1 . GLU 69 69 19996 1 . ASP 70 70 19996 1 . GLY 71 71 19996 1 . SER 72 72 19996 1 . ALA 73 73 19996 1 . LEU 74 74 19996 1 . SER 75 75 19996 1 . ARG 76 76 19996 1 . LYS 77 77 19996 1 . VAL 78 78 19996 1 . LEU 79 79 19996 1 . VAL 80 80 19996 1 . LEU 81 81 19996 1 . PHE 82 82 19996 1 . VAL 83 83 19996 1 . VAL 84 84 19996 1 . GLN 85 85 19996 1 . ARG 86 86 19996 1 . LEU 87 87 19996 1 . GLU 88 88 19996 1 . PRO 89 89 19996 1 . ARG 90 90 19996 1 . PHE 91 91 19996 1 . PRO 92 92 19996 1 . GLN 93 93 19996 1 . ALA 94 94 19996 1 . SER 95 95 19996 1 . LYS 96 96 19996 1 . THR 97 97 19996 1 . SER 98 98 19996 1 . ILE 99 99 19996 1 . GLY 100 100 19996 1 . HIS 101 101 19996 1 . VAL 102 102 19996 1 . VAL 103 103 19996 1 . GLN 104 104 19996 1 . LEU 105 105 19996 1 . LEU 106 106 19996 1 . TYR 107 107 19996 1 . ARG 108 108 19996 1 . ALA 109 109 19996 1 . SER 110 110 19996 1 . CYS 111 111 19996 1 . PHE 112 112 19996 1 . LYS 113 113 19996 1 . VAL 114 114 19996 1 . THR 115 115 19996 1 . LYS 116 116 19996 1 . ARG 117 117 19996 1 . ASP 118 118 19996 1 . GLU 119 119 19996 1 . ASP 120 120 19996 1 . SER 121 121 19996 1 . SER 122 122 19996 1 . LEU 123 123 19996 1 . MET 124 124 19996 1 . GLN 125 125 19996 1 . LEU 126 126 19996 1 . LYS 127 127 19996 1 . GLU 128 128 19996 1 . GLU 129 129 19996 1 . PHE 130 130 19996 1 . ARG 131 131 19996 1 . THR 132 132 19996 1 . TYR 133 133 19996 1 . GLU 134 134 19996 1 . ALA 135 135 19996 1 . LEU 136 136 19996 1 . ARG 137 137 19996 1 . ARG 138 138 19996 1 . GLU 139 139 19996 1 . HIS 140 140 19996 1 . ASP 141 141 19996 1 . SER 142 142 19996 1 . GLN 143 143 19996 1 . ILE 144 144 19996 1 . VAL 145 145 19996 1 . GLN 146 146 19996 1 . ILE 147 147 19996 1 . ALA 148 148 19996 1 . MET 149 149 19996 1 . GLU 150 150 19996 1 . ALA 151 151 19996 1 . GLY 152 152 19996 1 . LEU 153 153 19996 1 . ARG 154 154 19996 1 . ILE 155 155 19996 1 . ALA 156 156 19996 1 . PRO 157 157 19996 1 . ASP 158 158 19996 1 . GLN 159 159 19996 1 . TRP 160 160 19996 1 . SER 161 161 19996 1 . SER 162 162 19996 1 . LEU 163 163 19996 1 . LEU 164 164 19996 1 . TYR 165 165 19996 1 . GLY 166 166 19996 1 . ASP 167 167 19996 1 . GLN 168 168 19996 1 . SER 169 169 19996 1 . HIS 170 170 19996 1 . LYS 171 171 19996 1 . SER 172 172 19996 1 . HIS 173 173 19996 1 . MET 174 174 19996 1 . GLN 175 175 19996 1 . SER 176 176 19996 1 . ILE 177 177 19996 1 . ILE 178 178 19996 1 . ASP 179 179 19996 1 . LYS 180 180 19996 1 . LEU 181 181 19996 1 . GLN 182 182 19996 1 . THR 183 183 19996 1 stop_ save_ save_Tnf_CDE_RNA_23mer _Entity.Sf_category entity _Entity.Sf_framecode Tnf_CDE_RNA_23mer _Entity.Entry_ID 19996 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Tnf_CDE_RNA_23mer _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ACAUGUUUUCUGUGAAAACG GAG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Sequence: 5'- ACA UGU UUU CUG UGA AAA CGG AG -3' ; _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 23 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7004.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . A . 19996 2 2 . C . 19996 2 3 . A . 19996 2 4 . U . 19996 2 5 . G . 19996 2 6 . U . 19996 2 7 . U . 19996 2 8 . U . 19996 2 9 . U . 19996 2 10 . C . 19996 2 11 . U . 19996 2 12 . G . 19996 2 13 . U . 19996 2 14 . G . 19996 2 15 . A . 19996 2 16 . A . 19996 2 17 . A . 19996 2 18 . A . 19996 2 19 . C . 19996 2 20 . G . 19996 2 21 . G . 19996 2 22 . A . 19996 2 23 . G . 19996 2 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 . A 1 1 19996 2 . C 2 2 19996 2 . A 3 3 19996 2 . U 4 4 19996 2 . G 5 5 19996 2 . U 6 6 19996 2 . U 7 7 19996 2 . U 8 8 19996 2 . U 9 9 19996 2 . C 10 10 19996 2 . U 11 11 19996 2 . G 12 12 19996 2 . U 13 13 19996 2 . G 14 14 19996 2 . A 15 15 19996 2 . A 16 16 19996 2 . A 17 17 19996 2 . A 18 18 19996 2 . C 19 19 19996 2 . G 20 20 19996 2 . G 21 21 19996 2 . A 22 22 19996 2 . G 23 23 19996 2 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 19996 _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 . . . . . . . . . . . . . . . . . . . . . 19996 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 19996 _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 . . . . . . 19996 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19996 _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 . . . . 19996 1 2 'TRIS, pH 7.0' 'natural abundance' . . . . . . 20 . . mM . . . . 19996 1 3 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 19996 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19996 1 5 'Tnf CDE RNA 23mer' 'natural abundance' . . 2 $Tnf_CDE_RNA_23mer . . 250 . . uM . . . . 19996 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 19996 _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 19996 1 pH 7.0 . pH 19996 1 pressure 1 . atm 19996 1 'ionic strength' 150 . mM 19996 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 19996 _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 . . 19996 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19996 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 19996 _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 19996 _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 19996 _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 . . . 19996 1 2 spectrometer_2 Bruker Avance . 800 . . . 19996 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 19996 _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 . . . . . . . . . . . . . . . . . . . . . 19996 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19996 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19996 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19996 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19996 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 19996 _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 . . . . . . . . . 19996 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19996 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19996 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 19996 _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' . . . 19996 1 2 '3D HNCA' . . . 19996 1 3 '3D HNCACB' . . . 19996 1 4 '3D HNCO' . . . 19996 1 5 '3D HCACO' . . . 19996 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 . 19996 1 2 . 1 1 2 2 ALA C C 13 177.202 0.000 . 1 . . . . 145 ALA C . 19996 1 3 . 1 1 2 2 ALA CA C 13 51.877 0.000 . 1 . . . . 145 ALA CA . 19996 1 4 . 1 1 2 2 ALA N N 15 125.154 0.023 . 1 . . . . 145 ALA N . 19996 1 5 . 1 1 3 3 MET H H 1 8.115 0.018 . 1 . . . . 146 MET H . 19996 1 6 . 1 1 3 3 MET C C 13 175.943 0.000 . 1 . . . . 146 MET C . 19996 1 7 . 1 1 3 3 MET CA C 13 55.972 0.000 . 1 . . . . 146 MET CA . 19996 1 8 . 1 1 3 3 MET CB C 13 29.374 0.000 . 1 . . . . 146 MET CB . 19996 1 9 . 1 1 3 3 MET N N 15 121.372 0.203 . 1 . . . . 146 MET N . 19996 1 10 . 1 1 4 4 GLU H H 1 8.337 0.025 . 1 . . . . 147 GLU H . 19996 1 11 . 1 1 4 4 GLU C C 13 172.445 0.000 . 1 . . . . 147 GLU C . 19996 1 12 . 1 1 4 4 GLU CA C 13 56.800 0.000 . 1 . . . . 147 GLU CA . 19996 1 13 . 1 1 4 4 GLU CB C 13 28.793 0.000 . 1 . . . . 147 GLU CB . 19996 1 14 . 1 1 4 4 GLU N N 15 121.115 0.069 . 1 . . . . 147 GLU N . 19996 1 15 . 1 1 5 5 GLU H H 1 8.239 0.010 . 1 . . . . 148 GLU H . 19996 1 16 . 1 1 5 5 GLU C C 13 175.552 0.000 . 1 . . . . 148 GLU C . 19996 1 17 . 1 1 5 5 GLU CA C 13 57.103 0.000 . 1 . . . . 148 GLU CA . 19996 1 18 . 1 1 5 5 GLU CB C 13 28.905 0.000 . 1 . . . . 148 GLU CB . 19996 1 19 . 1 1 5 5 GLU N N 15 121.252 0.176 . 1 . . . . 148 GLU N . 19996 1 20 . 1 1 6 6 GLU H H 1 8.332 0.000 . 1 . . . . 149 GLU H . 19996 1 21 . 1 1 6 6 GLU C C 13 174.225 0.000 . 1 . . . . 149 GLU C . 19996 1 22 . 1 1 6 6 GLU CA C 13 57.553 0.000 . 1 . . . . 149 GLU CA . 19996 1 23 . 1 1 6 6 GLU CB C 13 28.599 0.000 . 1 . . . . 149 GLU CB . 19996 1 24 . 1 1 6 6 GLU N N 15 120.670 0.000 . 1 . . . . 149 GLU N . 19996 1 25 . 1 1 7 7 GLY H H 1 8.270 0.035 . 1 . . . . 150 GLY H . 19996 1 26 . 1 1 7 7 GLY CA C 13 45.868 0.000 . 1 . . . . 150 GLY CA . 19996 1 27 . 1 1 7 7 GLY N N 15 107.771 0.201 . 1 . . . . 150 GLY N . 19996 1 28 . 1 1 8 8 ARG H H 1 7.897 0.015 . 1 . . . . 151 ARG H . 19996 1 29 . 1 1 8 8 ARG CA C 13 57.318 0.000 . 1 . . . . 151 ARG CA . 19996 1 30 . 1 1 8 8 ARG CB C 13 29.089 0.000 . 1 . . . . 151 ARG CB . 19996 1 31 . 1 1 8 8 ARG N N 15 121.616 0.159 . 1 . . . . 151 ARG N . 19996 1 32 . 1 1 9 9 ILE CA C 13 62.423 0.000 . 1 . . . . 152 ILE CA . 19996 1 33 . 1 1 9 9 ILE CB C 13 37.061 0.000 . 1 . . . . 152 ILE CB . 19996 1 34 . 1 1 10 10 ARG H H 1 8.133 0.000 . 1 . . . . 153 ARG H . 19996 1 35 . 1 1 10 10 ARG C C 13 179.222 0.000 . 1 . . . . 153 ARG C . 19996 1 36 . 1 1 10 10 ARG CA C 13 57.416 0.000 . 1 . . . . 153 ARG CA . 19996 1 37 . 1 1 10 10 ARG CB C 13 29.308 0.050 . 1 . . . . 153 ARG CB . 19996 1 38 . 1 1 10 10 ARG N N 15 122.006 0.000 . 1 . . . . 153 ARG N . 19996 1 39 . 1 1 11 11 ALA H H 1 7.965 0.020 . 1 . . . . 154 ALA H . 19996 1 40 . 1 1 11 11 ALA C C 13 179.599 0.000 . 1 . . . . 154 ALA C . 19996 1 41 . 1 1 11 11 ALA CA C 13 53.175 0.000 . 1 . . . . 154 ALA CA . 19996 1 42 . 1 1 11 11 ALA CB C 13 17.534 0.000 . 1 . . . . 154 ALA CB . 19996 1 43 . 1 1 11 11 ALA N N 15 122.440 0.084 . 1 . . . . 154 ALA N . 19996 1 44 . 1 1 12 12 MET H H 1 8.064 0.028 . 1 . . . . 155 MET H . 19996 1 45 . 1 1 12 12 MET C C 13 175.867 0.000 . 1 . . . . 155 MET C . 19996 1 46 . 1 1 12 12 MET CA C 13 56.324 0.000 . 1 . . . . 155 MET CA . 19996 1 47 . 1 1 12 12 MET CB C 13 31.648 0.000 . 1 . . . . 155 MET CB . 19996 1 48 . 1 1 12 12 MET N N 15 118.648 0.193 . 1 . . . . 155 MET N . 19996 1 49 . 1 1 13 13 ARG C C 13 178.202 0.000 . 1 . . . . 156 ARG C . 19996 1 50 . 1 1 13 13 ARG CA C 13 57.179 0.000 . 1 . . . . 156 ARG CA . 19996 1 51 . 1 1 13 13 ARG CB C 13 27.205 0.000 . 1 . . . . 156 ARG CB . 19996 1 52 . 1 1 14 14 ALA H H 1 8.019 0.000 . 1 . . . . 157 ALA H . 19996 1 53 . 1 1 14 14 ALA CA C 13 52.683 0.000 . 1 . . . . 157 ALA CA . 19996 1 54 . 1 1 14 14 ALA CB C 13 18.019 0.000 . 1 . . . . 157 ALA CB . 19996 1 55 . 1 1 14 14 ALA N N 15 123.369 0.000 . 1 . . . . 157 ALA N . 19996 1 56 . 1 1 15 15 ALA H H 1 7.956 0.000 . 1 . . . . 158 ALA H . 19996 1 57 . 1 1 15 15 ALA CA C 13 52.453 0.000 . 1 . . . . 158 ALA CA . 19996 1 58 . 1 1 15 15 ALA CB C 13 17.954 0.000 . 1 . . . . 158 ALA CB . 19996 1 59 . 1 1 15 15 ALA N N 15 121.943 0.000 . 1 . . . . 158 ALA N . 19996 1 60 . 1 1 17 17 SER H H 1 8.037 0.000 . 1 . . . . 160 SER H . 19996 1 61 . 1 1 17 17 SER CA C 13 57.298 0.000 . 1 . . . . 160 SER CA . 19996 1 62 . 1 1 17 17 SER CB C 13 63.052 0.000 . 1 . . . . 160 SER CB . 19996 1 63 . 1 1 17 17 SER N N 15 113.262 0.000 . 1 . . . . 160 SER N . 19996 1 64 . 1 1 18 18 LEU H H 1 8.164 0.004 . 1 . . . . 161 LEU H . 19996 1 65 . 1 1 18 18 LEU CA C 13 55.286 0.000 . 1 . . . . 161 LEU CA . 19996 1 66 . 1 1 18 18 LEU CB C 13 40.956 0.000 . 1 . . . . 161 LEU CB . 19996 1 67 . 1 1 18 18 LEU N N 15 123.582 0.081 . 1 . . . . 161 LEU N . 19996 1 68 . 1 1 19 19 GLY H H 1 8.224 0.000 . 1 . . . . 162 GLY H . 19996 1 69 . 1 1 19 19 GLY CA C 13 44.769 0.000 . 1 . . . . 162 GLY CA . 19996 1 70 . 1 1 19 19 GLY N N 15 108.518 0.000 . 1 . . . . 162 GLY N . 19996 1 71 . 1 1 20 20 GLU H H 1 8.087 0.000 . 1 . . . . 163 GLU H . 19996 1 72 . 1 1 20 20 GLU C C 13 178.199 0.000 . 1 . . . . 163 GLU C . 19996 1 73 . 1 1 20 20 GLU CA C 13 56.023 0.000 . 1 . . . . 163 GLU CA . 19996 1 74 . 1 1 20 20 GLU CB C 13 29.318 0.000 . 1 . . . . 163 GLU CB . 19996 1 75 . 1 1 20 20 GLU N N 15 120.464 0.000 . 1 . . . . 163 GLU N . 19996 1 76 . 1 1 21 21 ARG H H 1 8.025 0.008 . 1 . . . . 164 ARG H . 19996 1 77 . 1 1 21 21 ARG CA C 13 56.298 0.000 . 1 . . . . 164 ARG CA . 19996 1 78 . 1 1 21 21 ARG CB C 13 29.597 0.000 . 1 . . . . 164 ARG CB . 19996 1 79 . 1 1 21 21 ARG N N 15 119.131 0.141 . 1 . . . . 164 ARG N . 19996 1 80 . 1 1 22 22 THR H H 1 8.160 0.021 . 1 . . . . 165 THR H . 19996 1 81 . 1 1 22 22 THR C C 13 178.405 0.000 . 1 . . . . 165 THR C . 19996 1 82 . 1 1 22 22 THR CA C 13 61.678 0.000 . 1 . . . . 165 THR CA . 19996 1 83 . 1 1 22 22 THR CB C 13 69.261 0.000 . 1 . . . . 165 THR CB . 19996 1 84 . 1 1 22 22 THR N N 15 115.756 0.027 . 1 . . . . 165 THR N . 19996 1 85 . 1 1 23 23 VAL H H 1 8.163 0.027 . 1 . . . . 166 VAL H . 19996 1 86 . 1 1 23 23 VAL C C 13 179.593 0.000 . 1 . . . . 166 VAL C . 19996 1 87 . 1 1 23 23 VAL CA C 13 62.309 0.000 . 1 . . . . 166 VAL CA . 19996 1 88 . 1 1 23 23 VAL CB C 13 31.443 0.000 . 1 . . . . 166 VAL CB . 19996 1 89 . 1 1 23 23 VAL N N 15 122.227 0.229 . 1 . . . . 166 VAL N . 19996 1 90 . 1 1 24 24 THR H H 1 8.033 0.000 . 1 . . . . 167 THR H . 19996 1 91 . 1 1 24 24 THR CA C 13 62.168 0.000 . 1 . . . . 167 THR CA . 19996 1 92 . 1 1 24 24 THR CB C 13 68.864 0.000 . 1 . . . . 167 THR CB . 19996 1 93 . 1 1 24 24 THR N N 15 117.241 0.000 . 1 . . . . 167 THR N . 19996 1 94 . 1 1 25 25 GLU H H 1 8.251 0.016 . 1 . . . . 168 GLU H . 19996 1 95 . 1 1 25 25 GLU CA C 13 56.407 0.000 . 1 . . . . 168 GLU CA . 19996 1 96 . 1 1 25 25 GLU CB C 13 29.222 0.000 . 1 . . . . 168 GLU CB . 19996 1 97 . 1 1 25 25 GLU N N 15 122.899 0.103 . 1 . . . . 168 GLU N . 19996 1 98 . 1 1 26 26 LEU H H 1 8.105 0.021 . 1 . . . . 169 LEU H . 19996 1 99 . 1 1 26 26 LEU CA C 13 55.111 0.000 . 1 . . . . 169 LEU CA . 19996 1 100 . 1 1 26 26 LEU CB C 13 40.930 0.000 . 1 . . . . 169 LEU CB . 19996 1 101 . 1 1 26 26 LEU N N 15 122.835 0.086 . 1 . . . . 169 LEU N . 19996 1 102 . 1 1 27 27 ILE H H 1 7.971 0.013 . 1 . . . . 170 ILE H . 19996 1 103 . 1 1 27 27 ILE CA C 13 60.837 0.000 . 1 . . . . 170 ILE CA . 19996 1 104 . 1 1 27 27 ILE CB C 13 37.066 0.000 . 1 . . . . 170 ILE CB . 19996 1 105 . 1 1 27 27 ILE N N 15 121.597 0.154 . 1 . . . . 170 ILE N . 19996 1 106 . 1 1 28 28 LEU H H 1 8.184 0.062 . 1 . . . . 171 LEU H . 19996 1 107 . 1 1 28 28 LEU CA C 13 54.856 0.000 . 1 . . . . 171 LEU CA . 19996 1 108 . 1 1 28 28 LEU CB C 13 40.848 0.000 . 1 . . . . 171 LEU CB . 19996 1 109 . 1 1 28 28 LEU N N 15 122.689 2.312 . 1 . . . . 171 LEU N . 19996 1 110 . 1 1 29 29 GLN H H 1 7.879 0.000 . 1 . . . . 172 GLN H . 19996 1 111 . 1 1 29 29 GLN CA C 13 56.899 0.000 . 1 . . . . 172 GLN CA . 19996 1 112 . 1 1 29 29 GLN CB C 13 27.751 0.000 . 1 . . . . 172 GLN CB . 19996 1 113 . 1 1 29 29 GLN N N 15 120.628 0.000 . 1 . . . . 172 GLN N . 19996 1 114 . 1 1 30 30 HIS H H 1 7.938 0.000 . 1 . . . . 173 HIS H . 19996 1 115 . 1 1 30 30 HIS CA C 13 57.375 0.000 . 1 . . . . 173 HIS CA . 19996 1 116 . 1 1 30 30 HIS CB C 13 28.798 0.000 . 1 . . . . 173 HIS CB . 19996 1 117 . 1 1 30 30 HIS N N 15 123.832 0.000 . 1 . . . . 173 HIS N . 19996 1 118 . 1 1 31 31 GLN H H 1 7.935 0.036 . 1 . . . . 174 GLN H . 19996 1 119 . 1 1 31 31 GLN CA C 13 57.167 0.000 . 1 . . . . 174 GLN CA . 19996 1 120 . 1 1 31 31 GLN CB C 13 27.719 0.000 . 1 . . . . 174 GLN CB . 19996 1 121 . 1 1 31 31 GLN N N 15 120.307 0.150 . 1 . . . . 174 GLN N . 19996 1 122 . 1 1 33 33 PRO CA C 13 64.308 0.000 . 1 . . . . 176 PRO CA . 19996 1 123 . 1 1 33 33 PRO CB C 13 30.769 0.000 . 1 . . . . 176 PRO CB . 19996 1 124 . 1 1 34 34 GLN H H 1 8.213 0.000 . 1 . . . . 177 GLN H . 19996 1 125 . 1 1 34 34 GLN C C 13 180.473 0.000 . 1 . . . . 177 GLN C . 19996 1 126 . 1 1 34 34 GLN CA C 13 57.440 0.000 . 1 . . . . 177 GLN CA . 19996 1 127 . 1 1 34 34 GLN CB C 13 27.252 0.000 . 1 . . . . 177 GLN CB . 19996 1 128 . 1 1 34 34 GLN N N 15 118.369 0.000 . 1 . . . . 177 GLN N . 19996 1 129 . 1 1 35 35 GLN H H 1 8.214 0.000 . 1 . . . . 178 GLN H . 19996 1 130 . 1 1 35 35 GLN C C 13 177.684 0.000 . 1 . . . . 178 GLN C . 19996 1 131 . 1 1 35 35 GLN CA C 13 57.347 0.000 . 1 . . . . 178 GLN CA . 19996 1 132 . 1 1 35 35 GLN CB C 13 27.209 0.000 . 1 . . . . 178 GLN CB . 19996 1 133 . 1 1 35 35 GLN N N 15 118.416 0.000 . 1 . . . . 178 GLN N . 19996 1 134 . 1 1 36 36 LEU H H 1 7.806 0.013 . 1 . . . . 179 LEU H . 19996 1 135 . 1 1 36 36 LEU C C 13 178.755 0.000 . 1 . . . . 179 LEU C . 19996 1 136 . 1 1 36 36 LEU CA C 13 57.338 0.000 . 1 . . . . 179 LEU CA . 19996 1 137 . 1 1 36 36 LEU CB C 13 40.724 0.000 . 1 . . . . 179 LEU CB . 19996 1 138 . 1 1 36 36 LEU N N 15 120.294 0.205 . 1 . . . . 179 LEU N . 19996 1 139 . 1 1 37 37 SER H H 1 7.878 0.006 . 1 . . . . 180 SER H . 19996 1 140 . 1 1 37 37 SER C C 13 178.766 0.000 . 1 . . . . 180 SER C . 19996 1 141 . 1 1 37 37 SER CA C 13 60.414 0.000 . 1 . . . . 180 SER CA . 19996 1 142 . 1 1 37 37 SER CB C 13 61.404 0.000 . 1 . . . . 180 SER CB . 19996 1 143 . 1 1 37 37 SER N N 15 112.263 0.063 . 1 . . . . 180 SER N . 19996 1 144 . 1 1 38 38 SER H H 1 7.652 0.003 . 1 . . . . 181 SER H . 19996 1 145 . 1 1 38 38 SER C C 13 174.462 0.000 . 1 . . . . 181 SER C . 19996 1 146 . 1 1 38 38 SER CA C 13 61.534 0.000 . 1 . . . . 181 SER CA . 19996 1 147 . 1 1 38 38 SER CB C 13 61.791 0.000 . 1 . . . . 181 SER CB . 19996 1 148 . 1 1 38 38 SER N N 15 115.293 0.013 . 1 . . . . 181 SER N . 19996 1 149 . 1 1 39 39 ASN H H 1 8.146 0.021 . 1 . . . . 182 ASN H . 19996 1 150 . 1 1 39 39 ASN C C 13 178.153 0.000 . 1 . . . . 182 ASN C . 19996 1 151 . 1 1 39 39 ASN CA C 13 54.975 0.000 . 1 . . . . 182 ASN CA . 19996 1 152 . 1 1 39 39 ASN CB C 13 36.982 0.000 . 1 . . . . 182 ASN CB . 19996 1 153 . 1 1 39 39 ASN N N 15 120.138 0.138 . 1 . . . . 182 ASN N . 19996 1 154 . 1 1 40 40 LEU H H 1 8.032 0.000 . 1 . . . . 183 LEU H . 19996 1 155 . 1 1 40 40 LEU C C 13 178.592 0.000 . 1 . . . . 183 LEU C . 19996 1 156 . 1 1 40 40 LEU CA C 13 57.276 0.000 . 1 . . . . 183 LEU CA . 19996 1 157 . 1 1 40 40 LEU CB C 13 38.941 0.000 . 1 . . . . 183 LEU CB . 19996 1 158 . 1 1 40 40 LEU N N 15 123.664 0.000 . 1 . . . . 183 LEU N . 19996 1 159 . 1 1 41 41 TRP H H 1 7.988 0.000 . 1 . . . . 184 TRP H . 19996 1 160 . 1 1 41 41 TRP HE1 H 1 10.160 0.014 . 1 . . . . 184 TRP HE1 . 19996 1 161 . 1 1 41 41 TRP C C 13 179.902 0.000 . 1 . . . . 184 TRP C . 19996 1 162 . 1 1 41 41 TRP CA C 13 57.960 0.000 . 1 . . . . 184 TRP CA . 19996 1 163 . 1 1 41 41 TRP CB C 13 28.319 0.000 . 1 . . . . 184 TRP CB . 19996 1 164 . 1 1 41 41 TRP N N 15 117.265 0.143 . 1 . . . . 184 TRP N . 19996 1 165 . 1 1 41 41 TRP NE1 N 15 128.559 0.240 . 1 . . . . 184 TRP NE1 . 19996 1 166 . 1 1 42 42 ALA H H 1 8.059 0.000 . 1 . . . . 185 ALA H . 19996 1 167 . 1 1 42 42 ALA C C 13 180.269 0.000 . 1 . . . . 185 ALA C . 19996 1 168 . 1 1 42 42 ALA CA C 13 54.431 0.000 . 1 . . . . 185 ALA CA . 19996 1 169 . 1 1 42 42 ALA CB C 13 17.336 0.000 . 1 . . . . 185 ALA CB . 19996 1 170 . 1 1 42 42 ALA N N 15 119.913 0.000 . 1 . . . . 185 ALA N . 19996 1 171 . 1 1 43 43 ALA H H 1 7.721 0.010 . 1 . . . . 186 ALA H . 19996 1 172 . 1 1 43 43 ALA C C 13 180.772 0.000 . 1 . . . . 186 ALA C . 19996 1 173 . 1 1 43 43 ALA CA C 13 54.410 0.000 . 1 . . . . 186 ALA CA . 19996 1 174 . 1 1 43 43 ALA CB C 13 16.178 0.000 . 1 . . . . 186 ALA CB . 19996 1 175 . 1 1 43 43 ALA N N 15 123.069 0.185 . 1 . . . . 186 ALA N . 19996 1 176 . 1 1 44 44 VAL H H 1 8.208 0.015 . 1 . . . . 187 VAL H . 19996 1 177 . 1 1 44 44 VAL C C 13 178.796 0.000 . 1 . . . . 187 VAL C . 19996 1 178 . 1 1 44 44 VAL CA C 13 66.387 0.000 . 1 . . . . 187 VAL CA . 19996 1 179 . 1 1 44 44 VAL CB C 13 31.356 0.000 . 1 . . . . 187 VAL CB . 19996 1 180 . 1 1 44 44 VAL N N 15 119.382 0.161 . 1 . . . . 187 VAL N . 19996 1 181 . 1 1 45 45 ARG H H 1 8.412 0.011 . 1 . . . . 188 ARG H . 19996 1 182 . 1 1 45 45 ARG C C 13 181.314 0.000 . 1 . . . . 188 ARG C . 19996 1 183 . 1 1 45 45 ARG CA C 13 57.833 0.000 . 1 . . . . 188 ARG CA . 19996 1 184 . 1 1 45 45 ARG CB C 13 28.699 0.000 . 1 . . . . 188 ARG CB . 19996 1 185 . 1 1 45 45 ARG N N 15 120.207 0.174 . 1 . . . . 188 ARG N . 19996 1 186 . 1 1 46 46 ALA H H 1 8.154 0.008 . 1 . . . . 189 ALA H . 19996 1 187 . 1 1 46 46 ALA C C 13 179.188 0.000 . 1 . . . . 189 ALA C . 19996 1 188 . 1 1 46 46 ALA CA C 13 53.600 0.000 . 1 . . . . 189 ALA CA . 19996 1 189 . 1 1 46 46 ALA CB C 13 16.872 0.000 . 1 . . . . 189 ALA CB . 19996 1 190 . 1 1 46 46 ALA N N 15 122.484 0.092 . 1 . . . . 189 ALA N . 19996 1 191 . 1 1 47 47 ARG H H 1 7.049 0.021 . 1 . . . . 190 ARG H . 19996 1 192 . 1 1 47 47 ARG C C 13 176.485 0.000 . 1 . . . . 190 ARG C . 19996 1 193 . 1 1 47 47 ARG CA C 13 53.847 0.000 . 1 . . . . 190 ARG CA . 19996 1 194 . 1 1 47 47 ARG CB C 13 28.236 0.000 . 1 . . . . 190 ARG CB . 19996 1 195 . 1 1 47 47 ARG N N 15 115.024 0.271 . 1 . . . . 190 ARG N . 19996 1 196 . 1 1 48 48 GLY H H 1 8.386 0.000 . 1 . . . . 191 GLY H . 19996 1 197 . 1 1 48 48 GLY C C 13 173.381 0.000 . 1 . . . . 191 GLY C . 19996 1 198 . 1 1 48 48 GLY CA C 13 45.317 0.000 . 1 . . . . 191 GLY CA . 19996 1 199 . 1 1 48 48 GLY N N 15 110.679 0.000 . 1 . . . . 191 GLY N . 19996 1 200 . 1 1 49 49 CYS H H 1 6.840 0.020 . 1 . . . . 192 CYS H . 19996 1 201 . 1 1 49 49 CYS C C 13 172.831 0.000 . 1 . . . . 192 CYS C . 19996 1 202 . 1 1 49 49 CYS CA C 13 56.542 0.000 . 1 . . . . 192 CYS CA . 19996 1 203 . 1 1 49 49 CYS CB C 13 31.206 0.000 . 1 . . . . 192 CYS CB . 19996 1 204 . 1 1 49 49 CYS N N 15 112.652 0.168 . 1 . . . . 192 CYS N . 19996 1 205 . 1 1 50 50 GLN H H 1 6.352 0.000 . 1 . . . . 193 GLN H . 19996 1 206 . 1 1 50 50 GLN C C 13 172.513 0.000 . 1 . . . . 193 GLN C . 19996 1 207 . 1 1 50 50 GLN CA C 13 55.855 0.000 . 1 . . . . 193 GLN CA . 19996 1 208 . 1 1 50 50 GLN CB C 13 33.221 0.000 . 1 . . . . 193 GLN CB . 19996 1 209 . 1 1 50 50 GLN N N 15 114.963 0.000 . 1 . . . . 193 GLN N . 19996 1 210 . 1 1 51 51 PHE H H 1 8.202 0.022 . 1 . . . . 194 PHE H . 19996 1 211 . 1 1 51 51 PHE C C 13 175.514 0.000 . 1 . . . . 194 PHE C . 19996 1 212 . 1 1 51 51 PHE CA C 13 56.251 0.000 . 1 . . . . 194 PHE CA . 19996 1 213 . 1 1 51 51 PHE CB C 13 41.294 0.000 . 1 . . . . 194 PHE CB . 19996 1 214 . 1 1 51 51 PHE N N 15 121.115 0.175 . 1 . . . . 194 PHE N . 19996 1 215 . 1 1 52 52 LEU H H 1 8.201 0.000 . 1 . . . . 195 LEU H . 19996 1 216 . 1 1 52 52 LEU C C 13 175.708 0.000 . 1 . . . . 195 LEU C . 19996 1 217 . 1 1 52 52 LEU CA C 13 54.794 0.000 . 1 . . . . 195 LEU CA . 19996 1 218 . 1 1 52 52 LEU CB C 13 39.709 0.000 . 1 . . . . 195 LEU CB . 19996 1 219 . 1 1 52 52 LEU N N 15 126.892 0.000 . 1 . . . . 195 LEU N . 19996 1 220 . 1 1 54 54 PRO C C 13 179.386 0.000 . 1 . . . . 197 PRO C . 19996 1 221 . 1 1 54 54 PRO CA C 13 66.971 0.000 . 1 . . . . 197 PRO CA . 19996 1 222 . 1 1 54 54 PRO CB C 13 31.151 0.000 . 1 . . . . 197 PRO CB . 19996 1 223 . 1 1 55 55 ALA H H 1 8.032 0.021 . 1 . . . . 198 ALA H . 19996 1 224 . 1 1 55 55 ALA C C 13 180.367 0.000 . 1 . . . . 198 ALA C . 19996 1 225 . 1 1 55 55 ALA CA C 13 54.482 0.000 . 1 . . . . 198 ALA CA . 19996 1 226 . 1 1 55 55 ALA CB C 13 17.156 0.000 . 1 . . . . 198 ALA CB . 19996 1 227 . 1 1 55 55 ALA N N 15 119.722 0.194 . 1 . . . . 198 ALA N . 19996 1 228 . 1 1 56 56 MET H H 1 8.166 0.032 . 1 . . . . 199 MET H . 19996 1 229 . 1 1 56 56 MET C C 13 177.779 0.000 . 1 . . . . 199 MET C . 19996 1 230 . 1 1 56 56 MET CA C 13 58.267 0.000 . 1 . . . . 199 MET CA . 19996 1 231 . 1 1 56 56 MET CB C 13 30.551 0.000 . 1 . . . . 199 MET CB . 19996 1 232 . 1 1 56 56 MET N N 15 117.885 0.173 . 1 . . . . 199 MET N . 19996 1 233 . 1 1 57 57 GLN H H 1 8.268 0.000 . 1 . . . . 200 GLN H . 19996 1 234 . 1 1 57 57 GLN C C 13 179.350 0.000 . 1 . . . . 200 GLN C . 19996 1 235 . 1 1 57 57 GLN CA C 13 59.561 0.000 . 1 . . . . 200 GLN CA . 19996 1 236 . 1 1 57 57 GLN CB C 13 26.637 0.000 . 1 . . . . 200 GLN CB . 19996 1 237 . 1 1 57 57 GLN N N 15 117.974 0.050 . 1 . . . . 200 GLN N . 19996 1 238 . 1 1 58 58 GLU H H 1 7.095 0.024 . 1 . . . . 201 GLU H . 19996 1 239 . 1 1 58 58 GLU C C 13 177.958 0.000 . 1 . . . . 201 GLU C . 19996 1 240 . 1 1 58 58 GLU CA C 13 59.235 0.000 . 1 . . . . 201 GLU CA . 19996 1 241 . 1 1 58 58 GLU CB C 13 28.204 0.000 . 1 . . . . 201 GLU CB . 19996 1 242 . 1 1 58 58 GLU N N 15 115.325 0.166 . 1 . . . . 201 GLU N . 19996 1 243 . 1 1 59 59 GLU H H 1 7.412 0.016 . 1 . . . . 202 GLU H . 19996 1 244 . 1 1 59 59 GLU C C 13 179.449 0.000 . 1 . . . . 202 GLU C . 19996 1 245 . 1 1 59 59 GLU CA C 13 58.626 0.000 . 1 . . . . 202 GLU CA . 19996 1 246 . 1 1 59 59 GLU CB C 13 27.810 0.000 . 1 . . . . 202 GLU CB . 19996 1 247 . 1 1 59 59 GLU N N 15 115.992 0.171 . 1 . . . . 202 GLU N . 19996 1 248 . 1 1 60 60 ALA H H 1 8.435 0.000 . 1 . . . . 203 ALA H . 19996 1 249 . 1 1 60 60 ALA C C 13 175.698 0.000 . 1 . . . . 203 ALA C . 19996 1 250 . 1 1 60 60 ALA CA C 13 54.802 0.000 . 1 . . . . 203 ALA CA . 19996 1 251 . 1 1 60 60 ALA CB C 13 21.169 0.000 . 1 . . . . 203 ALA CB . 19996 1 252 . 1 1 60 60 ALA N N 15 120.953 0.000 . 1 . . . . 203 ALA N . 19996 1 253 . 1 1 63 63 LEU CA C 13 54.129 0.000 . 1 . . . . 206 LEU CA . 19996 1 254 . 1 1 65 65 LEU CA C 13 55.736 0.000 . 1 . . . . 208 LEU CA . 19996 1 255 . 1 1 66 66 LEU H H 1 8.364 0.000 . 1 . . . . 209 LEU H . 19996 1 256 . 1 1 66 66 LEU C C 13 175.468 0.000 . 1 . . . . 209 LEU C . 19996 1 257 . 1 1 66 66 LEU CA C 13 55.073 0.000 . 1 . . . . 209 LEU CA . 19996 1 258 . 1 1 66 66 LEU CB C 13 37.498 0.000 . 1 . . . . 209 LEU CB . 19996 1 259 . 1 1 66 66 LEU N N 15 121.570 0.000 . 1 . . . . 209 LEU N . 19996 1 260 . 1 1 67 67 ALA H H 1 8.463 0.000 . 1 . . . . 210 ALA H . 19996 1 261 . 1 1 67 67 ALA C C 13 175.733 0.000 . 1 . . . . 210 ALA C . 19996 1 262 . 1 1 67 67 ALA CA C 13 50.876 0.000 . 1 . . . . 210 ALA CA . 19996 1 263 . 1 1 67 67 ALA CB C 13 21.516 0.000 . 1 . . . . 210 ALA CB . 19996 1 264 . 1 1 67 67 ALA N N 15 120.654 0.000 . 1 . . . . 210 ALA N . 19996 1 265 . 1 1 68 68 LEU CA C 13 54.109 0.000 . 1 . . . . 211 LEU CA . 19996 1 266 . 1 1 69 69 GLU H H 1 9.556 0.000 . 1 . . . . 212 GLU H . 19996 1 267 . 1 1 69 69 GLU CA C 13 59.294 0.000 . 1 . . . . 212 GLU CA . 19996 1 268 . 1 1 69 69 GLU CB C 13 27.047 0.000 . 1 . . . . 212 GLU CB . 19996 1 269 . 1 1 69 69 GLU N N 15 124.159 0.000 . 1 . . . . 212 GLU N . 19996 1 270 . 1 1 70 70 ASP H H 1 8.209 0.000 . 1 . . . . 213 ASP H . 19996 1 271 . 1 1 70 70 ASP CA C 13 52.707 0.000 . 1 . . . . 213 ASP CA . 19996 1 272 . 1 1 70 70 ASP CB C 13 38.517 0.000 . 1 . . . . 213 ASP CB . 19996 1 273 . 1 1 70 70 ASP N N 15 117.148 0.000 . 1 . . . . 213 ASP N . 19996 1 274 . 1 1 71 71 GLY H H 1 8.051 0.003 . 1 . . . . 214 GLY H . 19996 1 275 . 1 1 71 71 GLY CA C 13 44.670 0.000 . 1 . . . . 214 GLY CA . 19996 1 276 . 1 1 71 71 GLY N N 15 106.613 0.009 . 1 . . . . 214 GLY N . 19996 1 277 . 1 1 72 72 SER H H 1 7.984 0.000 . 1 . . . . 215 SER H . 19996 1 278 . 1 1 72 72 SER C C 13 176.200 0.000 . 1 . . . . 215 SER C . 19996 1 279 . 1 1 72 72 SER CA C 13 60.516 0.000 . 1 . . . . 215 SER CA . 19996 1 280 . 1 1 72 72 SER CB C 13 59.386 0.000 . 1 . . . . 215 SER CB . 19996 1 281 . 1 1 72 72 SER N N 15 117.732 0.000 . 1 . . . . 215 SER N . 19996 1 282 . 1 1 73 73 ALA H H 1 8.129 0.000 . 1 . . . . 216 ALA H . 19996 1 283 . 1 1 73 73 ALA CA C 13 49.043 0.000 . 1 . . . . 216 ALA CA . 19996 1 284 . 1 1 73 73 ALA CB C 13 18.061 0.000 . 1 . . . . 216 ALA CB . 19996 1 285 . 1 1 73 73 ALA N N 15 122.631 0.000 . 1 . . . . 216 ALA N . 19996 1 286 . 1 1 74 74 LEU H H 1 8.205 0.000 . 1 . . . . 217 LEU H . 19996 1 287 . 1 1 74 74 LEU CA C 13 52.326 0.000 . 1 . . . . 217 LEU CA . 19996 1 288 . 1 1 74 74 LEU N N 15 121.199 0.000 . 1 . . . . 217 LEU N . 19996 1 289 . 1 1 75 75 SER H H 1 8.295 0.000 . 1 . . . . 218 SER H . 19996 1 290 . 1 1 75 75 SER CA C 13 56.237 0.000 . 1 . . . . 218 SER CA . 19996 1 291 . 1 1 75 75 SER N N 15 117.386 0.000 . 1 . . . . 218 SER N . 19996 1 292 . 1 1 76 76 ARG H H 1 9.301 0.000 . 1 . . . . 219 ARG H . 19996 1 293 . 1 1 76 76 ARG CA C 13 60.123 0.000 . 1 . . . . 219 ARG CA . 19996 1 294 . 1 1 76 76 ARG N N 15 121.830 0.000 . 1 . . . . 219 ARG N . 19996 1 295 . 1 1 77 77 LYS H H 1 8.176 0.005 . 1 . . . . 220 LYS H . 19996 1 296 . 1 1 77 77 LYS CA C 13 59.441 0.000 . 1 . . . . 220 LYS CA . 19996 1 297 . 1 1 77 77 LYS CB C 13 31.743 0.000 . 1 . . . . 220 LYS CB . 19996 1 298 . 1 1 77 77 LYS N N 15 115.277 0.039 . 1 . . . . 220 LYS N . 19996 1 299 . 1 1 78 78 VAL H H 1 7.098 0.000 . 1 . . . . 221 VAL H . 19996 1 300 . 1 1 78 78 VAL CA C 13 65.778 0.000 . 1 . . . . 221 VAL CA . 19996 1 301 . 1 1 78 78 VAL N N 15 118.796 0.000 . 1 . . . . 221 VAL N . 19996 1 302 . 1 1 79 79 LEU H H 1 8.229 0.000 . 1 . . . . 222 LEU H . 19996 1 303 . 1 1 79 79 LEU C C 13 178.003 0.000 . 1 . . . . 222 LEU C . 19996 1 304 . 1 1 79 79 LEU CA C 13 57.508 0.000 . 1 . . . . 222 LEU CA . 19996 1 305 . 1 1 79 79 LEU CB C 13 40.641 0.000 . 1 . . . . 222 LEU CB . 19996 1 306 . 1 1 79 79 LEU N N 15 121.810 0.000 . 1 . . . . 222 LEU N . 19996 1 307 . 1 1 80 80 VAL H H 1 8.537 0.000 . 1 . . . . 223 VAL H . 19996 1 308 . 1 1 80 80 VAL C C 13 178.297 0.000 . 1 . . . . 223 VAL C . 19996 1 309 . 1 1 80 80 VAL CA C 13 66.643 0.000 . 1 . . . . 223 VAL CA . 19996 1 310 . 1 1 80 80 VAL CB C 13 30.189 0.000 . 1 . . . . 223 VAL CB . 19996 1 311 . 1 1 80 80 VAL N N 15 116.565 0.065 . 1 . . . . 223 VAL N . 19996 1 312 . 1 1 81 81 LEU H H 1 7.712 0.000 . 1 . . . . 224 LEU H . 19996 1 313 . 1 1 81 81 LEU CA C 13 57.512 0.000 . 1 . . . . 224 LEU CA . 19996 1 314 . 1 1 81 81 LEU N N 15 118.121 0.000 . 1 . . . . 224 LEU N . 19996 1 315 . 1 1 82 82 PHE H H 1 8.165 0.000 . 1 . . . . 225 PHE H . 19996 1 316 . 1 1 82 82 PHE CA C 13 60.100 0.000 . 1 . . . . 225 PHE CA . 19996 1 317 . 1 1 82 82 PHE N N 15 119.646 0.000 . 1 . . . . 225 PHE N . 19996 1 318 . 1 1 83 83 VAL CA C 13 65.428 0.000 . 1 . . . . 226 VAL CA . 19996 1 319 . 1 1 84 84 VAL H H 1 8.924 0.000 . 1 . . . . 227 VAL H . 19996 1 320 . 1 1 84 84 VAL N N 15 118.993 0.000 . 1 . . . . 227 VAL N . 19996 1 321 . 1 1 85 85 GLN H H 1 8.271 0.000 . 1 . . . . 228 GLN H . 19996 1 322 . 1 1 85 85 GLN CA C 13 58.183 0.000 . 1 . . . . 228 GLN CA . 19996 1 323 . 1 1 85 85 GLN N N 15 113.930 0.000 . 1 . . . . 228 GLN N . 19996 1 324 . 1 1 86 86 ARG H H 1 6.861 0.000 . 1 . . . . 229 ARG H . 19996 1 325 . 1 1 86 86 ARG CA C 13 56.399 0.000 . 1 . . . . 229 ARG CA . 19996 1 326 . 1 1 86 86 ARG N N 15 114.526 0.000 . 1 . . . . 229 ARG N . 19996 1 327 . 1 1 87 87 LEU H H 1 8.192 0.000 . 1 . . . . 230 LEU H . 19996 1 328 . 1 1 87 87 LEU CA C 13 55.318 0.000 . 1 . . . . 230 LEU CA . 19996 1 329 . 1 1 87 87 LEU N N 15 121.335 0.000 . 1 . . . . 230 LEU N . 19996 1 330 . 1 1 88 88 GLU H H 1 7.999 0.000 . 1 . . . . 231 GLU H . 19996 1 331 . 1 1 88 88 GLU CA C 13 59.475 0.000 . 1 . . . . 231 GLU CA . 19996 1 332 . 1 1 88 88 GLU N N 15 120.120 0.000 . 1 . . . . 231 GLU N . 19996 1 333 . 1 1 89 89 PRO C C 13 178.077 0.000 . 1 . . . . 232 PRO C . 19996 1 334 . 1 1 89 89 PRO CA C 13 65.244 0.000 . 1 . . . . 232 PRO CA . 19996 1 335 . 1 1 89 89 PRO CB C 13 31.481 0.000 . 1 . . . . 232 PRO CB . 19996 1 336 . 1 1 90 90 ARG H H 1 7.145 0.016 . 1 . . . . 233 ARG H . 19996 1 337 . 1 1 90 90 ARG C C 13 175.706 0.000 . 1 . . . . 233 ARG C . 19996 1 338 . 1 1 90 90 ARG CA C 13 55.862 0.000 . 1 . . . . 233 ARG CA . 19996 1 339 . 1 1 90 90 ARG CB C 13 31.108 0.000 . 1 . . . . 233 ARG CB . 19996 1 340 . 1 1 90 90 ARG N N 15 112.823 0.137 . 1 . . . . 233 ARG N . 19996 1 341 . 1 1 91 91 PHE H H 1 8.172 0.015 . 1 . . . . 234 PHE H . 19996 1 342 . 1 1 91 91 PHE C C 13 173.084 0.000 . 1 . . . . 234 PHE C . 19996 1 343 . 1 1 91 91 PHE CA C 13 54.032 0.000 . 1 . . . . 234 PHE CA . 19996 1 344 . 1 1 91 91 PHE CB C 13 38.621 0.000 . 1 . . . . 234 PHE CB . 19996 1 345 . 1 1 91 91 PHE N N 15 117.623 0.095 . 1 . . . . 234 PHE N . 19996 1 346 . 1 1 92 92 PRO C C 13 177.592 0.000 . 1 . . . . 235 PRO C . 19996 1 347 . 1 1 92 92 PRO CA C 13 63.896 0.000 . 1 . . . . 235 PRO CA . 19996 1 348 . 1 1 92 92 PRO CB C 13 31.085 0.000 . 1 . . . . 235 PRO CB . 19996 1 349 . 1 1 93 93 GLN H H 1 8.859 0.035 . 1 . . . . 236 GLN H . 19996 1 350 . 1 1 93 93 GLN C C 13 177.260 0.000 . 1 . . . . 236 GLN C . 19996 1 351 . 1 1 93 93 GLN CA C 13 55.679 0.000 . 1 . . . . 236 GLN CA . 19996 1 352 . 1 1 93 93 GLN CB C 13 26.748 0.000 . 1 . . . . 236 GLN CB . 19996 1 353 . 1 1 93 93 GLN N N 15 114.918 0.211 . 1 . . . . 236 GLN N . 19996 1 354 . 1 1 94 94 ALA H H 1 8.218 0.022 . 1 . . . . 237 ALA H . 19996 1 355 . 1 1 94 94 ALA C C 13 174.763 0.000 . 1 . . . . 237 ALA C . 19996 1 356 . 1 1 94 94 ALA CA C 13 52.977 0.000 . 1 . . . . 237 ALA CA . 19996 1 357 . 1 1 94 94 ALA CB C 13 17.789 0.000 . 1 . . . . 237 ALA CB . 19996 1 358 . 1 1 94 94 ALA N N 15 125.311 0.148 . 1 . . . . 237 ALA N . 19996 1 359 . 1 1 95 95 SER H H 1 7.442 0.010 . 1 . . . . 238 SER H . 19996 1 360 . 1 1 95 95 SER C C 13 174.585 0.000 . 1 . . . . 238 SER C . 19996 1 361 . 1 1 95 95 SER CA C 13 55.242 0.000 . 1 . . . . 238 SER CA . 19996 1 362 . 1 1 95 95 SER CB C 13 66.304 0.000 . 1 . . . . 238 SER CB . 19996 1 363 . 1 1 95 95 SER N N 15 114.205 0.148 . 1 . . . . 238 SER N . 19996 1 364 . 1 1 96 96 LYS H H 1 8.361 0.000 . 1 . . . . 239 LYS H . 19996 1 365 . 1 1 96 96 LYS CA C 13 59.771 0.000 . 1 . . . . 239 LYS CA . 19996 1 366 . 1 1 96 96 LYS CB C 13 36.345 0.000 . 1 . . . . 239 LYS CB . 19996 1 367 . 1 1 96 96 LYS N N 15 123.251 0.000 . 1 . . . . 239 LYS N . 19996 1 368 . 1 1 97 97 THR H H 1 7.996 0.000 . 1 . . . . 240 THR H . 19996 1 369 . 1 1 97 97 THR C C 13 176.249 0.000 . 1 . . . . 240 THR C . 19996 1 370 . 1 1 97 97 THR CA C 13 66.527 0.000 . 1 . . . . 240 THR CA . 19996 1 371 . 1 1 97 97 THR N N 15 116.612 0.000 . 1 . . . . 240 THR N . 19996 1 372 . 1 1 98 98 SER H H 1 7.740 0.024 . 1 . . . . 241 SER H . 19996 1 373 . 1 1 98 98 SER C C 13 176.980 0.000 . 1 . . . . 241 SER C . 19996 1 374 . 1 1 98 98 SER CA C 13 60.544 0.000 . 1 . . . . 241 SER CA . 19996 1 375 . 1 1 98 98 SER CB C 13 61.885 0.053 . 1 . . . . 241 SER CB . 19996 1 376 . 1 1 98 98 SER N N 15 117.908 0.113 . 1 . . . . 241 SER N . 19996 1 377 . 1 1 99 99 ILE H H 1 8.260 0.028 . 1 . . . . 242 ILE H . 19996 1 378 . 1 1 99 99 ILE C C 13 179.628 0.000 . 1 . . . . 242 ILE C . 19996 1 379 . 1 1 99 99 ILE CA C 13 60.821 0.003 . 1 . . . . 242 ILE CA . 19996 1 380 . 1 1 99 99 ILE CB C 13 32.474 0.000 . 1 . . . . 242 ILE CB . 19996 1 381 . 1 1 99 99 ILE N N 15 120.259 0.217 . 1 . . . . 242 ILE N . 19996 1 382 . 1 1 100 100 GLY H H 1 8.082 0.009 . 1 . . . . 243 GLY H . 19996 1 383 . 1 1 100 100 GLY C C 13 176.791 0.000 . 1 . . . . 243 GLY C . 19996 1 384 . 1 1 100 100 GLY CA C 13 46.606 0.000 . 1 . . . . 243 GLY CA . 19996 1 385 . 1 1 100 100 GLY N N 15 110.020 0.097 . 1 . . . . 243 GLY N . 19996 1 386 . 1 1 101 101 HIS H H 1 7.445 0.023 . 1 . . . . 244 HIS H . 19996 1 387 . 1 1 101 101 HIS C C 13 178.465 0.000 . 1 . . . . 244 HIS C . 19996 1 388 . 1 1 101 101 HIS CA C 13 55.892 0.000 . 1 . . . . 244 HIS CA . 19996 1 389 . 1 1 101 101 HIS CB C 13 30.526 0.000 . 1 . . . . 244 HIS CB . 19996 1 390 . 1 1 101 101 HIS N N 15 120.354 0.057 . 1 . . . . 244 HIS N . 19996 1 391 . 1 1 102 102 VAL H H 1 7.731 0.012 . 1 . . . . 245 VAL H . 19996 1 392 . 1 1 102 102 VAL C C 13 179.010 0.000 . 1 . . . . 245 VAL C . 19996 1 393 . 1 1 102 102 VAL CA C 13 66.307 0.000 . 1 . . . . 245 VAL CA . 19996 1 394 . 1 1 102 102 VAL CB C 13 30.583 0.000 . 1 . . . . 245 VAL CB . 19996 1 395 . 1 1 102 102 VAL N N 15 123.104 0.102 . 1 . . . . 245 VAL N . 19996 1 396 . 1 1 103 103 VAL H H 1 8.354 0.015 . 1 . . . . 246 VAL H . 19996 1 397 . 1 1 103 103 VAL C C 13 178.575 0.000 . 1 . . . . 246 VAL C . 19996 1 398 . 1 1 103 103 VAL CA C 13 66.863 0.000 . 1 . . . . 246 VAL CA . 19996 1 399 . 1 1 103 103 VAL CB C 13 30.066 0.000 . 1 . . . . 246 VAL CB . 19996 1 400 . 1 1 103 103 VAL N N 15 119.161 0.061 . 1 . . . . 246 VAL N . 19996 1 401 . 1 1 104 104 GLN H H 1 8.317 0.022 . 1 . . . . 247 GLN H . 19996 1 402 . 1 1 104 104 GLN C C 13 177.978 0.000 . 1 . . . . 247 GLN C . 19996 1 403 . 1 1 104 104 GLN CA C 13 57.417 0.000 . 1 . . . . 247 GLN CA . 19996 1 404 . 1 1 104 104 GLN CB C 13 25.848 0.000 . 1 . . . . 247 GLN CB . 19996 1 405 . 1 1 104 104 GLN N N 15 119.738 0.078 . 1 . . . . 247 GLN N . 19996 1 406 . 1 1 105 105 LEU H H 1 7.552 0.020 . 1 . . . . 248 LEU H . 19996 1 407 . 1 1 105 105 LEU C C 13 178.661 0.000 . 1 . . . . 248 LEU C . 19996 1 408 . 1 1 105 105 LEU CA C 13 58.625 0.000 . 1 . . . . 248 LEU CA . 19996 1 409 . 1 1 105 105 LEU CB C 13 41.823 0.000 . 1 . . . . 248 LEU CB . 19996 1 410 . 1 1 105 105 LEU N N 15 121.769 0.170 . 1 . . . . 248 LEU N . 19996 1 411 . 1 1 106 106 LEU H H 1 7.374 0.002 . 1 . . . . 249 LEU H . 19996 1 412 . 1 1 106 106 LEU C C 13 178.554 0.000 . 1 . . . . 249 LEU C . 19996 1 413 . 1 1 106 106 LEU CA C 13 56.077 0.000 . 1 . . . . 249 LEU CA . 19996 1 414 . 1 1 106 106 LEU CB C 13 39.598 0.000 . 1 . . . . 249 LEU CB . 19996 1 415 . 1 1 106 106 LEU N N 15 115.743 0.012 . 1 . . . . 249 LEU N . 19996 1 416 . 1 1 107 107 TYR H H 1 8.872 0.021 . 1 . . . . 250 TYR H . 19996 1 417 . 1 1 107 107 TYR C C 13 181.383 0.000 . 1 . . . . 250 TYR C . 19996 1 418 . 1 1 107 107 TYR CA C 13 59.738 0.000 . 1 . . . . 250 TYR CA . 19996 1 419 . 1 1 107 107 TYR CB C 13 38.306 0.000 . 1 . . . . 250 TYR CB . 19996 1 420 . 1 1 107 107 TYR N N 15 121.550 0.050 . 1 . . . . 250 TYR N . 19996 1 421 . 1 1 108 108 ARG H H 1 9.203 0.007 . 1 . . . . 251 ARG H . 19996 1 422 . 1 1 108 108 ARG C C 13 177.404 0.000 . 1 . . . . 251 ARG C . 19996 1 423 . 1 1 108 108 ARG CA C 13 57.967 0.000 . 1 . . . . 251 ARG CA . 19996 1 424 . 1 1 108 108 ARG CB C 13 29.302 0.015 . 1 . . . . 251 ARG CB . 19996 1 425 . 1 1 108 108 ARG N N 15 124.260 0.028 . 1 . . . . 251 ARG N . 19996 1 426 . 1 1 109 109 ALA H H 1 7.354 0.026 . 1 . . . . 252 ALA H . 19996 1 427 . 1 1 109 109 ALA C C 13 175.518 0.000 . 1 . . . . 252 ALA C . 19996 1 428 . 1 1 109 109 ALA CA C 13 51.249 0.000 . 1 . . . . 252 ALA CA . 19996 1 429 . 1 1 109 109 ALA CB C 13 18.399 0.000 . 1 . . . . 252 ALA CB . 19996 1 430 . 1 1 109 109 ALA N N 15 118.169 0.177 . 1 . . . . 252 ALA N . 19996 1 431 . 1 1 110 110 SER H H 1 7.785 0.007 . 1 . . . . 253 SER H . 19996 1 432 . 1 1 110 110 SER C C 13 175.846 0.000 . 1 . . . . 253 SER C . 19996 1 433 . 1 1 110 110 SER CA C 13 58.028 0.000 . 1 . . . . 253 SER CA . 19996 1 434 . 1 1 110 110 SER CB C 13 60.666 0.000 . 1 . . . . 253 SER CB . 19996 1 435 . 1 1 110 110 SER N N 15 110.249 0.071 . 1 . . . . 253 SER N . 19996 1 436 . 1 1 111 111 CYS H H 1 7.261 0.009 . 1 . . . . 254 CYS H . 19996 1 437 . 1 1 111 111 CYS C C 13 174.366 0.000 . 1 . . . . 254 CYS C . 19996 1 438 . 1 1 111 111 CYS CA C 13 60.402 0.000 . 1 . . . . 254 CYS CA . 19996 1 439 . 1 1 111 111 CYS CB C 13 26.281 0.000 . 1 . . . . 254 CYS CB . 19996 1 440 . 1 1 111 111 CYS N N 15 111.520 0.088 . 1 . . . . 254 CYS N . 19996 1 441 . 1 1 112 112 PHE H H 1 7.989 0.000 . 1 . . . . 255 PHE H . 19996 1 442 . 1 1 112 112 PHE C C 13 176.487 0.000 . 1 . . . . 255 PHE C . 19996 1 443 . 1 1 112 112 PHE CA C 13 55.211 0.000 . 1 . . . . 255 PHE CA . 19996 1 444 . 1 1 112 112 PHE CB C 13 39.808 0.000 . 1 . . . . 255 PHE CB . 19996 1 445 . 1 1 112 112 PHE N N 15 113.623 0.062 . 1 . . . . 255 PHE N . 19996 1 446 . 1 1 113 113 LYS H H 1 9.256 0.000 . 1 . . . . 256 LYS H . 19996 1 447 . 1 1 113 113 LYS C C 13 176.800 0.000 . 1 . . . . 256 LYS C . 19996 1 448 . 1 1 113 113 LYS CA C 13 54.868 0.000 . 1 . . . . 256 LYS CA . 19996 1 449 . 1 1 113 113 LYS CB C 13 32.659 0.000 . 1 . . . . 256 LYS CB . 19996 1 450 . 1 1 113 113 LYS N N 15 122.077 0.000 . 1 . . . . 256 LYS N . 19996 1 451 . 1 1 114 114 VAL H H 1 9.021 0.000 . 1 . . . . 257 VAL H . 19996 1 452 . 1 1 114 114 VAL CA C 13 61.375 0.000 . 1 . . . . 257 VAL CA . 19996 1 453 . 1 1 114 114 VAL N N 15 131.143 0.000 . 1 . . . . 257 VAL N . 19996 1 454 . 1 1 115 115 THR H H 1 9.333 0.000 . 1 . . . . 258 THR H . 19996 1 455 . 1 1 115 115 THR C C 13 174.601 0.000 . 1 . . . . 258 THR C . 19996 1 456 . 1 1 115 115 THR CA C 13 60.926 0.000 . 1 . . . . 258 THR CA . 19996 1 457 . 1 1 115 115 THR CB C 13 69.580 0.000 . 1 . . . . 258 THR CB . 19996 1 458 . 1 1 115 115 THR N N 15 125.865 0.000 . 1 . . . . 258 THR N . 19996 1 459 . 1 1 116 116 LYS H H 1 8.500 0.000 . 1 . . . . 259 LYS H . 19996 1 460 . 1 1 116 116 LYS C C 13 176.170 0.000 . 1 . . . . 259 LYS C . 19996 1 461 . 1 1 116 116 LYS CA C 13 55.838 0.000 . 1 . . . . 259 LYS CA . 19996 1 462 . 1 1 116 116 LYS CB C 13 32.057 0.000 . 1 . . . . 259 LYS CB . 19996 1 463 . 1 1 116 116 LYS N N 15 125.342 0.000 . 1 . . . . 259 LYS N . 19996 1 464 . 1 1 117 117 ARG H H 1 9.342 0.000 . 1 . . . . 260 ARG H . 19996 1 465 . 1 1 117 117 ARG CA C 13 54.424 0.000 . 1 . . . . 260 ARG CA . 19996 1 466 . 1 1 117 117 ARG N N 15 122.786 0.000 . 1 . . . . 260 ARG N . 19996 1 467 . 1 1 118 118 ASP H H 1 8.222 0.000 . 1 . . . . 261 ASP H . 19996 1 468 . 1 1 118 118 ASP CA C 13 55.364 0.000 . 1 . . . . 261 ASP CA . 19996 1 469 . 1 1 118 118 ASP N N 15 120.887 0.000 . 1 . . . . 261 ASP N . 19996 1 470 . 1 1 119 119 GLU H H 1 8.775 0.000 . 1 . . . . 262 GLU H . 19996 1 471 . 1 1 119 119 GLU CA C 13 55.873 0.000 . 1 . . . . 262 GLU CA . 19996 1 472 . 1 1 119 119 GLU N N 15 119.437 0.000 . 1 . . . . 262 GLU N . 19996 1 473 . 1 1 120 120 ASP H H 1 7.278 0.000 . 1 . . . . 263 ASP H . 19996 1 474 . 1 1 120 120 ASP CA C 13 51.038 0.000 . 1 . . . . 263 ASP CA . 19996 1 475 . 1 1 120 120 ASP N N 15 115.157 0.000 . 1 . . . . 263 ASP N . 19996 1 476 . 1 1 121 121 SER H H 1 8.943 0.000 . 1 . . . . 264 SER H . 19996 1 477 . 1 1 121 121 SER CA C 13 58.063 0.000 . 1 . . . . 264 SER CA . 19996 1 478 . 1 1 121 121 SER CB C 13 60.773 0.000 . 1 . . . . 264 SER CB . 19996 1 479 . 1 1 121 121 SER N N 15 114.274 0.000 . 1 . . . . 264 SER N . 19996 1 480 . 1 1 122 122 SER H H 1 7.777 0.000 . 1 . . . . 265 SER H . 19996 1 481 . 1 1 122 122 SER CA C 13 58.038 0.000 . 1 . . . . 265 SER CA . 19996 1 482 . 1 1 122 122 SER CB C 13 60.504 0.000 . 1 . . . . 265 SER CB . 19996 1 483 . 1 1 122 122 SER N N 15 118.800 0.000 . 1 . . . . 265 SER N . 19996 1 484 . 1 1 123 123 LEU H H 1 8.636 0.000 . 1 . . . . 266 LEU H . 19996 1 485 . 1 1 123 123 LEU CA C 13 52.502 0.000 . 1 . . . . 266 LEU CA . 19996 1 486 . 1 1 123 123 LEU N N 15 120.822 0.000 . 1 . . . . 266 LEU N . 19996 1 487 . 1 1 124 124 MET H H 1 8.590 0.000 . 1 . . . . 267 MET H . 19996 1 488 . 1 1 124 124 MET C C 13 176.298 0.000 . 1 . . . . 267 MET C . 19996 1 489 . 1 1 124 124 MET CA C 13 54.124 0.000 . 1 . . . . 267 MET CA . 19996 1 490 . 1 1 124 124 MET N N 15 117.561 0.000 . 1 . . . . 267 MET N . 19996 1 491 . 1 1 125 125 GLN H H 1 8.339 0.000 . 1 . . . . 268 GLN H . 19996 1 492 . 1 1 125 125 GLN CA C 13 52.591 0.000 . 1 . . . . 268 GLN CA . 19996 1 493 . 1 1 125 125 GLN N N 15 118.422 0.000 . 1 . . . . 268 GLN N . 19996 1 494 . 1 1 126 126 LEU H H 1 9.674 0.000 . 1 . . . . 269 LEU H . 19996 1 495 . 1 1 126 126 LEU C C 13 178.313 0.000 . 1 . . . . 269 LEU C . 19996 1 496 . 1 1 126 126 LEU CA C 13 54.562 0.000 . 1 . . . . 269 LEU CA . 19996 1 497 . 1 1 126 126 LEU CB C 13 42.501 0.000 . 1 . . . . 269 LEU CB . 19996 1 498 . 1 1 126 126 LEU N N 15 126.203 0.000 . 1 . . . . 269 LEU N . 19996 1 499 . 1 1 127 127 LYS H H 1 8.554 0.006 . 1 . . . . 270 LYS H . 19996 1 500 . 1 1 127 127 LYS C C 13 178.028 0.000 . 1 . . . . 270 LYS C . 19996 1 501 . 1 1 127 127 LYS CA C 13 57.709 0.000 . 1 . . . . 270 LYS CA . 19996 1 502 . 1 1 127 127 LYS CB C 13 31.716 0.000 . 1 . . . . 270 LYS CB . 19996 1 503 . 1 1 127 127 LYS N N 15 127.528 0.000 . 1 . . . . 270 LYS N . 19996 1 504 . 1 1 128 128 GLU H H 1 9.133 0.000 . 1 . . . . 271 GLU H . 19996 1 505 . 1 1 128 128 GLU C C 13 178.264 0.000 . 1 . . . . 271 GLU C . 19996 1 506 . 1 1 128 128 GLU CA C 13 60.561 0.000 . 1 . . . . 271 GLU CA . 19996 1 507 . 1 1 128 128 GLU CB C 13 28.232 0.000 . 1 . . . . 271 GLU CB . 19996 1 508 . 1 1 128 128 GLU N N 15 122.667 0.031 . 1 . . . . 271 GLU N . 19996 1 509 . 1 1 129 129 GLU H H 1 9.707 0.016 . 1 . . . . 272 GLU H . 19996 1 510 . 1 1 129 129 GLU C C 13 177.125 0.000 . 1 . . . . 272 GLU C . 19996 1 511 . 1 1 129 129 GLU CA C 13 57.302 0.000 . 1 . . . . 272 GLU CA . 19996 1 512 . 1 1 129 129 GLU CB C 13 26.901 0.000 . 1 . . . . 272 GLU CB . 19996 1 513 . 1 1 129 129 GLU N N 15 116.393 0.116 . 1 . . . . 272 GLU N . 19996 1 514 . 1 1 130 130 PHE H H 1 7.837 0.018 . 1 . . . . 273 PHE H . 19996 1 515 . 1 1 130 130 PHE C C 13 173.991 0.000 . 1 . . . . 273 PHE C . 19996 1 516 . 1 1 130 130 PHE CA C 13 54.163 0.000 . 1 . . . . 273 PHE CA . 19996 1 517 . 1 1 130 130 PHE CB C 13 38.207 0.000 . 1 . . . . 273 PHE CB . 19996 1 518 . 1 1 130 130 PHE N N 15 118.962 0.083 . 1 . . . . 273 PHE N . 19996 1 519 . 1 1 131 131 ARG H H 1 6.998 0.016 . 1 . . . . 274 ARG H . 19996 1 520 . 1 1 131 131 ARG C C 13 175.436 0.000 . 1 . . . . 274 ARG C . 19996 1 521 . 1 1 131 131 ARG CA C 13 56.254 0.000 . 1 . . . . 274 ARG CA . 19996 1 522 . 1 1 131 131 ARG CB C 13 27.824 0.000 . 1 . . . . 274 ARG CB . 19996 1 523 . 1 1 131 131 ARG N N 15 114.502 0.068 . 1 . . . . 274 ARG N . 19996 1 524 . 1 1 132 132 THR H H 1 7.314 0.008 . 1 . . . . 275 THR H . 19996 1 525 . 1 1 132 132 THR C C 13 174.319 0.000 . 1 . . . . 275 THR C . 19996 1 526 . 1 1 132 132 THR CA C 13 59.043 0.000 . 1 . . . . 275 THR CA . 19996 1 527 . 1 1 132 132 THR CB C 13 71.473 0.000 . 1 . . . . 275 THR CB . 19996 1 528 . 1 1 132 132 THR N N 15 107.707 0.149 . 1 . . . . 275 THR N . 19996 1 529 . 1 1 133 133 TYR H H 1 9.396 0.005 . 1 . . . . 276 TYR H . 19996 1 530 . 1 1 133 133 TYR C C 13 176.621 0.000 . 1 . . . . 276 TYR C . 19996 1 531 . 1 1 133 133 TYR CA C 13 62.321 0.000 . 1 . . . . 276 TYR CA . 19996 1 532 . 1 1 133 133 TYR CB C 13 36.521 0.000 . 1 . . . . 276 TYR CB . 19996 1 533 . 1 1 133 133 TYR N N 15 123.802 0.094 . 1 . . . . 276 TYR N . 19996 1 534 . 1 1 134 134 GLU H H 1 9.109 0.014 . 1 . . . . 277 GLU H . 19996 1 535 . 1 1 134 134 GLU C C 13 179.444 0.000 . 1 . . . . 277 GLU C . 19996 1 536 . 1 1 134 134 GLU CA C 13 59.796 0.000 . 1 . . . . 277 GLU CA . 19996 1 537 . 1 1 134 134 GLU CB C 13 27.813 0.000 . 1 . . . . 277 GLU CB . 19996 1 538 . 1 1 134 134 GLU N N 15 116.690 0.053 . 1 . . . . 277 GLU N . 19996 1 539 . 1 1 135 135 ALA H H 1 7.284 0.006 . 1 . . . . 278 ALA H . 19996 1 540 . 1 1 135 135 ALA C C 13 180.455 0.000 . 1 . . . . 278 ALA C . 19996 1 541 . 1 1 135 135 ALA CA C 13 54.223 0.000 . 1 . . . . 278 ALA CA . 19996 1 542 . 1 1 135 135 ALA CB C 13 19.178 0.000 . 1 . . . . 278 ALA CB . 19996 1 543 . 1 1 135 135 ALA N N 15 119.624 0.078 . 1 . . . . 278 ALA N . 19996 1 544 . 1 1 136 136 LEU H H 1 8.210 0.013 . 1 . . . . 279 LEU H . 19996 1 545 . 1 1 136 136 LEU C C 13 179.076 0.000 . 1 . . . . 279 LEU C . 19996 1 546 . 1 1 136 136 LEU CA C 13 57.758 0.000 . 1 . . . . 279 LEU CA . 19996 1 547 . 1 1 136 136 LEU CB C 13 41.055 0.000 . 1 . . . . 279 LEU CB . 19996 1 548 . 1 1 136 136 LEU N N 15 120.356 0.140 . 1 . . . . 279 LEU N . 19996 1 549 . 1 1 137 137 ARG H H 1 9.101 0.021 . 1 . . . . 280 ARG H . 19996 1 550 . 1 1 137 137 ARG C C 13 178.257 0.000 . 1 . . . . 280 ARG C . 19996 1 551 . 1 1 137 137 ARG CA C 13 55.740 0.000 . 1 . . . . 280 ARG CA . 19996 1 552 . 1 1 137 137 ARG CB C 13 27.202 0.000 . 1 . . . . 280 ARG CB . 19996 1 553 . 1 1 137 137 ARG N N 15 116.743 0.228 . 1 . . . . 280 ARG N . 19996 1 554 . 1 1 138 138 ARG H H 1 7.587 0.013 . 1 . . . . 281 ARG H . 19996 1 555 . 1 1 138 138 ARG C C 13 178.433 0.000 . 1 . . . . 281 ARG C . 19996 1 556 . 1 1 138 138 ARG CA C 13 59.978 0.000 . 1 . . . . 281 ARG CA . 19996 1 557 . 1 1 138 138 ARG CB C 13 28.235 0.000 . 1 . . . . 281 ARG CB . 19996 1 558 . 1 1 138 138 ARG N N 15 119.249 0.187 . 1 . . . . 281 ARG N . 19996 1 559 . 1 1 139 139 GLU H H 1 7.369 0.019 . 1 . . . . 282 GLU H . 19996 1 560 . 1 1 139 139 GLU C C 13 179.610 0.000 . 1 . . . . 282 GLU C . 19996 1 561 . 1 1 139 139 GLU CA C 13 58.200 0.000 . 1 . . . . 282 GLU CA . 19996 1 562 . 1 1 139 139 GLU CB C 13 27.912 0.000 . 1 . . . . 282 GLU CB . 19996 1 563 . 1 1 139 139 GLU N N 15 118.874 0.112 . 1 . . . . 282 GLU N . 19996 1 564 . 1 1 140 140 HIS H H 1 8.163 0.000 . 1 . . . . 283 HIS H . 19996 1 565 . 1 1 140 140 HIS C C 13 175.823 0.000 . 1 . . . . 283 HIS C . 19996 1 566 . 1 1 140 140 HIS CA C 13 59.456 0.000 . 1 . . . . 283 HIS CA . 19996 1 567 . 1 1 140 140 HIS CB C 13 27.764 0.000 . 1 . . . . 283 HIS CB . 19996 1 568 . 1 1 140 140 HIS N N 15 118.556 0.132 . 1 . . . . 283 HIS N . 19996 1 569 . 1 1 141 141 ASP H H 1 8.937 0.004 . 1 . . . . 284 ASP H . 19996 1 570 . 1 1 141 141 ASP C C 13 177.861 0.000 . 1 . . . . 284 ASP C . 19996 1 571 . 1 1 141 141 ASP CA C 13 56.635 0.000 . 1 . . . . 284 ASP CA . 19996 1 572 . 1 1 141 141 ASP CB C 13 39.285 0.000 . 1 . . . . 284 ASP CB . 19996 1 573 . 1 1 141 141 ASP N N 15 119.130 0.057 . 1 . . . . 284 ASP N . 19996 1 574 . 1 1 142 142 SER H H 1 8.194 0.003 . 1 . . . . 285 SER H . 19996 1 575 . 1 1 142 142 SER C C 13 176.145 0.000 . 1 . . . . 285 SER C . 19996 1 576 . 1 1 142 142 SER CA C 13 60.564 0.000 . 1 . . . . 285 SER CA . 19996 1 577 . 1 1 142 142 SER CB C 13 62.086 0.000 . 1 . . . . 285 SER CB . 19996 1 578 . 1 1 142 142 SER N N 15 112.662 0.020 . 1 . . . . 285 SER N . 19996 1 579 . 1 1 143 143 GLN H H 1 7.777 0.033 . 1 . . . . 286 GLN H . 19996 1 580 . 1 1 143 143 GLN C C 13 177.763 0.000 . 1 . . . . 286 GLN C . 19996 1 581 . 1 1 143 143 GLN CA C 13 57.090 0.000 . 1 . . . . 286 GLN CA . 19996 1 582 . 1 1 143 143 GLN CB C 13 26.050 0.000 . 1 . . . . 286 GLN CB . 19996 1 583 . 1 1 143 143 GLN N N 15 119.327 0.207 . 1 . . . . 286 GLN N . 19996 1 584 . 1 1 144 144 ILE H H 1 7.264 0.003 . 1 . . . . 287 ILE H . 19996 1 585 . 1 1 144 144 ILE C C 13 177.371 0.000 . 1 . . . . 287 ILE C . 19996 1 586 . 1 1 144 144 ILE CA C 13 65.669 0.000 . 1 . . . . 287 ILE CA . 19996 1 587 . 1 1 144 144 ILE CB C 13 35.540 0.000 . 1 . . . . 287 ILE CB . 19996 1 588 . 1 1 144 144 ILE N N 15 118.261 0.012 . 1 . . . . 287 ILE N . 19996 1 589 . 1 1 145 145 VAL H H 1 7.491 0.029 . 1 . . . . 288 VAL H . 19996 1 590 . 1 1 145 145 VAL C C 13 178.447 0.000 . 1 . . . . 288 VAL C . 19996 1 591 . 1 1 145 145 VAL CA C 13 65.065 0.000 . 1 . . . . 288 VAL CA . 19996 1 592 . 1 1 145 145 VAL CB C 13 29.284 0.000 . 1 . . . . 288 VAL CB . 19996 1 593 . 1 1 145 145 VAL N N 15 119.461 0.183 . 1 . . . . 288 VAL N . 19996 1 594 . 1 1 146 146 GLN H H 1 8.424 0.011 . 1 . . . . 289 GLN H . 19996 1 595 . 1 1 146 146 GLN C C 13 179.468 0.000 . 1 . . . . 289 GLN C . 19996 1 596 . 1 1 146 146 GLN CA C 13 59.221 0.000 . 1 . . . . 289 GLN CA . 19996 1 597 . 1 1 146 146 GLN CB C 13 27.753 0.000 . 1 . . . . 289 GLN CB . 19996 1 598 . 1 1 146 146 GLN N N 15 119.798 0.142 . 1 . . . . 289 GLN N . 19996 1 599 . 1 1 147 147 ILE H H 1 8.167 0.015 . 1 . . . . 290 ILE H . 19996 1 600 . 1 1 147 147 ILE C C 13 178.387 0.000 . 1 . . . . 290 ILE C . 19996 1 601 . 1 1 147 147 ILE CA C 13 65.304 0.000 . 1 . . . . 290 ILE CA . 19996 1 602 . 1 1 147 147 ILE CB C 13 36.632 0.000 . 1 . . . . 290 ILE CB . 19996 1 603 . 1 1 147 147 ILE N N 15 121.337 0.170 . 1 . . . . 290 ILE N . 19996 1 604 . 1 1 148 148 ALA H H 1 8.162 0.017 . 1 . . . . 291 ALA H . 19996 1 605 . 1 1 148 148 ALA C C 13 180.008 0.000 . 1 . . . . 291 ALA C . 19996 1 606 . 1 1 148 148 ALA CA C 13 55.165 0.000 . 1 . . . . 291 ALA CA . 19996 1 607 . 1 1 148 148 ALA CB C 13 17.462 0.000 . 1 . . . . 291 ALA CB . 19996 1 608 . 1 1 148 148 ALA N N 15 121.872 0.164 . 1 . . . . 291 ALA N . 19996 1 609 . 1 1 149 149 MET H H 1 8.727 0.005 . 1 . . . . 292 MET H . 19996 1 610 . 1 1 149 149 MET C C 13 181.570 0.000 . 1 . . . . 292 MET C . 19996 1 611 . 1 1 149 149 MET CA C 13 58.717 0.000 . 1 . . . . 292 MET CA . 19996 1 612 . 1 1 149 149 MET CB C 13 31.463 0.000 . 1 . . . . 292 MET CB . 19996 1 613 . 1 1 149 149 MET N N 15 117.137 0.065 . 1 . . . . 292 MET N . 19996 1 614 . 1 1 150 150 GLU H H 1 8.452 0.016 . 1 . . . . 293 GLU H . 19996 1 615 . 1 1 150 150 GLU C C 13 178.402 0.000 . 1 . . . . 293 GLU C . 19996 1 616 . 1 1 150 150 GLU CA C 13 58.771 0.000 . 1 . . . . 293 GLU CA . 19996 1 617 . 1 1 150 150 GLU CB C 13 28.387 0.000 . 1 . . . . 293 GLU CB . 19996 1 618 . 1 1 150 150 GLU N N 15 122.257 0.121 . 1 . . . . 293 GLU N . 19996 1 619 . 1 1 151 151 ALA H H 1 7.722 0.028 . 1 . . . . 294 ALA H . 19996 1 620 . 1 1 151 151 ALA C C 13 177.352 0.000 . 1 . . . . 294 ALA C . 19996 1 621 . 1 1 151 151 ALA CA C 13 51.362 0.000 . 1 . . . . 294 ALA CA . 19996 1 622 . 1 1 151 151 ALA CB C 13 17.707 0.000 . 1 . . . . 294 ALA CB . 19996 1 623 . 1 1 151 151 ALA N N 15 119.527 0.155 . 1 . . . . 294 ALA N . 19996 1 624 . 1 1 152 152 GLY H H 1 7.755 0.008 . 1 . . . . 295 GLY H . 19996 1 625 . 1 1 152 152 GLY C C 13 174.680 0.000 . 1 . . . . 295 GLY C . 19996 1 626 . 1 1 152 152 GLY CA C 13 45.169 0.000 . 1 . . . . 295 GLY CA . 19996 1 627 . 1 1 152 152 GLY N N 15 107.247 0.156 . 1 . . . . 295 GLY N . 19996 1 628 . 1 1 153 153 LEU H H 1 8.189 0.018 . 1 . . . . 296 LEU H . 19996 1 629 . 1 1 153 153 LEU C C 13 176.301 0.000 . 1 . . . . 296 LEU C . 19996 1 630 . 1 1 153 153 LEU CA C 13 53.363 0.000 . 1 . . . . 296 LEU CA . 19996 1 631 . 1 1 153 153 LEU CB C 13 40.960 0.000 . 1 . . . . 296 LEU CB . 19996 1 632 . 1 1 153 153 LEU N N 15 120.360 0.211 . 1 . . . . 296 LEU N . 19996 1 633 . 1 1 154 154 ARG H H 1 8.455 0.019 . 1 . . . . 297 ARG H . 19996 1 634 . 1 1 154 154 ARG C C 13 174.335 0.000 . 1 . . . . 297 ARG C . 19996 1 635 . 1 1 154 154 ARG CA C 13 54.621 0.000 . 1 . . . . 297 ARG CA . 19996 1 636 . 1 1 154 154 ARG CB C 13 28.904 0.000 . 1 . . . . 297 ARG CB . 19996 1 637 . 1 1 154 154 ARG N N 15 125.780 0.171 . 1 . . . . 297 ARG N . 19996 1 638 . 1 1 155 155 ILE H H 1 8.408 0.018 . 1 . . . . 298 ILE H . 19996 1 639 . 1 1 155 155 ILE C C 13 175.220 0.000 . 1 . . . . 298 ILE C . 19996 1 640 . 1 1 155 155 ILE CA C 13 60.341 0.000 . 1 . . . . 298 ILE CA . 19996 1 641 . 1 1 155 155 ILE CB C 13 39.032 0.000 . 1 . . . . 298 ILE CB . 19996 1 642 . 1 1 155 155 ILE N N 15 127.166 0.177 . 1 . . . . 298 ILE N . 19996 1 643 . 1 1 156 156 ALA H H 1 8.585 0.011 . 1 . . . . 299 ALA H . 19996 1 644 . 1 1 156 156 ALA C C 13 177.658 0.000 . 1 . . . . 299 ALA C . 19996 1 645 . 1 1 156 156 ALA CA C 13 50.602 0.000 . 1 . . . . 299 ALA CA . 19996 1 646 . 1 1 156 156 ALA CB C 13 17.576 0.000 . 1 . . . . 299 ALA CB . 19996 1 647 . 1 1 156 156 ALA N N 15 130.580 0.149 . 1 . . . . 299 ALA N . 19996 1 648 . 1 1 157 157 PRO C C 13 177.588 0.000 . 1 . . . . 300 PRO C . 19996 1 649 . 1 1 157 157 PRO CA C 13 66.586 0.000 . 1 . . . . 300 PRO CA . 19996 1 650 . 1 1 157 157 PRO CB C 13 31.219 0.000 . 1 . . . . 300 PRO CB . 19996 1 651 . 1 1 158 158 ASP H H 1 8.893 0.016 . 1 . . . . 301 ASP H . 19996 1 652 . 1 1 158 158 ASP C C 13 178.498 0.000 . 1 . . . . 301 ASP C . 19996 1 653 . 1 1 158 158 ASP CA C 13 56.522 0.000 . 1 . . . . 301 ASP CA . 19996 1 654 . 1 1 158 158 ASP CB C 13 38.173 0.000 . 1 . . . . 301 ASP CB . 19996 1 655 . 1 1 158 158 ASP N N 15 115.253 0.136 . 1 . . . . 301 ASP N . 19996 1 656 . 1 1 159 159 GLN H H 1 7.358 0.009 . 1 . . . . 302 GLN H . 19996 1 657 . 1 1 159 159 GLN C C 13 178.991 0.000 . 1 . . . . 302 GLN C . 19996 1 658 . 1 1 159 159 GLN CA C 13 57.445 0.000 . 1 . . . . 302 GLN CA . 19996 1 659 . 1 1 159 159 GLN CB C 13 26.868 0.000 . 1 . . . . 302 GLN CB . 19996 1 660 . 1 1 159 159 GLN N N 15 122.872 0.177 . 1 . . . . 302 GLN N . 19996 1 661 . 1 1 160 160 TRP H H 1 8.689 0.006 . 1 . . . . 303 TRP H . 19996 1 662 . 1 1 160 160 TRP HE1 H 1 9.450 0.024 . 1 . . . . 303 TRP HE1 . 19996 1 663 . 1 1 160 160 TRP C C 13 178.908 0.000 . 1 . . . . 303 TRP C . 19996 1 664 . 1 1 160 160 TRP CA C 13 59.965 0.000 . 1 . . . . 303 TRP CA . 19996 1 665 . 1 1 160 160 TRP CB C 13 30.100 0.000 . 1 . . . . 303 TRP CB . 19996 1 666 . 1 1 160 160 TRP N N 15 118.809 0.069 . 1 . . . . 303 TRP N . 19996 1 667 . 1 1 160 160 TRP NE1 N 15 129.386 0.176 . 1 . . . . 303 TRP NE1 . 19996 1 668 . 1 1 161 161 SER H H 1 8.055 0.021 . 1 . . . . 304 SER H . 19996 1 669 . 1 1 161 161 SER C C 13 177.836 0.000 . 1 . . . . 304 SER C . 19996 1 670 . 1 1 161 161 SER CA C 13 62.081 0.000 . 1 . . . . 304 SER CA . 19996 1 671 . 1 1 161 161 SER CB C 13 62.843 0.000 . 1 . . . . 304 SER CB . 19996 1 672 . 1 1 161 161 SER N N 15 110.650 0.123 . 1 . . . . 304 SER N . 19996 1 673 . 1 1 162 162 SER H H 1 7.712 0.010 . 1 . . . . 305 SER H . 19996 1 674 . 1 1 162 162 SER C C 13 178.111 0.000 . 1 . . . . 305 SER C . 19996 1 675 . 1 1 162 162 SER CA C 13 62.126 0.000 . 1 . . . . 305 SER CA . 19996 1 676 . 1 1 162 162 SER CB C 13 59.688 0.000 . 1 . . . . 305 SER CB . 19996 1 677 . 1 1 162 162 SER N N 15 115.301 0.015 . 1 . . . . 305 SER N . 19996 1 678 . 1 1 163 163 LEU H H 1 8.667 0.002 . 1 . . . . 306 LEU H . 19996 1 679 . 1 1 163 163 LEU C C 13 178.698 0.000 . 1 . . . . 306 LEU C . 19996 1 680 . 1 1 163 163 LEU CA C 13 57.378 0.000 . 1 . . . . 306 LEU CA . 19996 1 681 . 1 1 163 163 LEU CB C 13 41.758 0.000 . 1 . . . . 306 LEU CB . 19996 1 682 . 1 1 163 163 LEU N N 15 121.078 0.104 . 1 . . . . 306 LEU N . 19996 1 683 . 1 1 164 164 LEU H H 1 8.323 0.006 . 1 . . . . 307 LEU H . 19996 1 684 . 1 1 164 164 LEU C C 13 177.659 0.000 . 1 . . . . 307 LEU C . 19996 1 685 . 1 1 164 164 LEU CA C 13 54.853 0.000 . 1 . . . . 307 LEU CA . 19996 1 686 . 1 1 164 164 LEU CB C 13 42.210 0.000 . 1 . . . . 307 LEU CB . 19996 1 687 . 1 1 164 164 LEU N N 15 111.174 0.129 . 1 . . . . 307 LEU N . 19996 1 688 . 1 1 165 165 TYR H H 1 8.301 0.016 . 1 . . . . 308 TYR H . 19996 1 689 . 1 1 165 165 TYR C C 13 176.876 0.000 . 1 . . . . 308 TYR C . 19996 1 690 . 1 1 165 165 TYR CA C 13 58.900 0.000 . 1 . . . . 308 TYR CA . 19996 1 691 . 1 1 165 165 TYR CB C 13 39.563 0.000 . 1 . . . . 308 TYR CB . 19996 1 692 . 1 1 165 165 TYR N N 15 112.663 0.094 . 1 . . . . 308 TYR N . 19996 1 693 . 1 1 166 166 GLY H H 1 8.087 0.006 . 1 . . . . 309 GLY H . 19996 1 694 . 1 1 166 166 GLY C C 13 173.303 0.000 . 1 . . . . 309 GLY C . 19996 1 695 . 1 1 166 166 GLY CA C 13 45.587 0.000 . 1 . . . . 309 GLY CA . 19996 1 696 . 1 1 166 166 GLY N N 15 109.383 0.144 . 1 . . . . 309 GLY N . 19996 1 697 . 1 1 167 167 ASP H H 1 7.561 0.000 . 1 . . . . 310 ASP H . 19996 1 698 . 1 1 167 167 ASP C C 13 177.140 0.000 . 1 . . . . 310 ASP C . 19996 1 699 . 1 1 167 167 ASP CA C 13 52.481 0.000 . 1 . . . . 310 ASP CA . 19996 1 700 . 1 1 167 167 ASP CB C 13 41.762 0.000 . 1 . . . . 310 ASP CB . 19996 1 701 . 1 1 167 167 ASP N N 15 115.883 0.000 . 1 . . . . 310 ASP N . 19996 1 702 . 1 1 168 168 GLN C C 13 177.604 0.000 . 1 . . . . 311 GLN C . 19996 1 703 . 1 1 168 168 GLN CA C 13 54.498 0.000 . 1 . . . . 311 GLN CA . 19996 1 704 . 1 1 169 169 SER H H 1 8.577 0.000 . 1 . . . . 312 SER H . 19996 1 705 . 1 1 169 169 SER C C 13 174.923 0.000 . 1 . . . . 312 SER C . 19996 1 706 . 1 1 169 169 SER CA C 13 59.083 0.000 . 1 . . . . 312 SER CA . 19996 1 707 . 1 1 169 169 SER CB C 13 62.710 0.000 . 1 . . . . 312 SER CB . 19996 1 708 . 1 1 169 169 SER N N 15 116.396 0.000 . 1 . . . . 312 SER N . 19996 1 709 . 1 1 170 170 HIS H H 1 7.632 0.000 . 1 . . . . 313 HIS H . 19996 1 710 . 1 1 170 170 HIS C C 13 175.154 0.000 . 1 . . . . 313 HIS C . 19996 1 711 . 1 1 170 170 HIS CA C 13 55.502 0.000 . 1 . . . . 313 HIS CA . 19996 1 712 . 1 1 170 170 HIS CB C 13 27.219 0.000 . 1 . . . . 313 HIS CB . 19996 1 713 . 1 1 170 170 HIS N N 15 117.818 0.000 . 1 . . . . 313 HIS N . 19996 1 714 . 1 1 171 171 LYS H H 1 7.570 0.000 . 1 . . . . 314 LYS H . 19996 1 715 . 1 1 171 171 LYS C C 13 178.038 0.000 . 1 . . . . 314 LYS C . 19996 1 716 . 1 1 171 171 LYS CA C 13 60.775 0.000 . 1 . . . . 314 LYS CA . 19996 1 717 . 1 1 171 171 LYS CB C 13 30.998 0.000 . 1 . . . . 314 LYS CB . 19996 1 718 . 1 1 171 171 LYS N N 15 122.291 0.000 . 1 . . . . 314 LYS N . 19996 1 719 . 1 1 172 172 SER H H 1 8.458 0.000 . 1 . . . . 315 SER H . 19996 1 720 . 1 1 172 172 SER C C 13 177.304 0.000 . 1 . . . . 315 SER C . 19996 1 721 . 1 1 172 172 SER CA C 13 62.913 0.000 . 1 . . . . 315 SER CA . 19996 1 722 . 1 1 172 172 SER N N 15 115.987 0.000 . 1 . . . . 315 SER N . 19996 1 723 . 1 1 173 173 HIS H H 1 7.929 0.000 . 1 . . . . 316 HIS H . 19996 1 724 . 1 1 173 173 HIS C C 13 178.270 0.000 . 1 . . . . 316 HIS C . 19996 1 725 . 1 1 173 173 HIS CA C 13 59.022 0.000 . 1 . . . . 316 HIS CA . 19996 1 726 . 1 1 173 173 HIS N N 15 123.418 0.000 . 1 . . . . 316 HIS N . 19996 1 727 . 1 1 174 174 MET H H 1 8.004 0.000 . 1 . . . . 317 MET H . 19996 1 728 . 1 1 174 174 MET C C 13 179.073 0.000 . 1 . . . . 317 MET C . 19996 1 729 . 1 1 174 174 MET CA C 13 54.821 0.000 . 1 . . . . 317 MET CA . 19996 1 730 . 1 1 174 174 MET CB C 13 38.130 0.000 . 1 . . . . 317 MET CB . 19996 1 731 . 1 1 174 174 MET N N 15 115.074 0.000 . 1 . . . . 317 MET N . 19996 1 732 . 1 1 175 175 GLN H H 1 8.713 0.024 . 1 . . . . 318 GLN H . 19996 1 733 . 1 1 175 175 GLN C C 13 177.543 0.000 . 1 . . . . 318 GLN C . 19996 1 734 . 1 1 175 175 GLN CA C 13 58.208 0.000 . 1 . . . . 318 GLN CA . 19996 1 735 . 1 1 175 175 GLN CB C 13 27.421 0.000 . 1 . . . . 318 GLN CB . 19996 1 736 . 1 1 175 175 GLN N N 15 120.783 0.195 . 1 . . . . 318 GLN N . 19996 1 737 . 1 1 176 176 SER H H 1 7.952 0.012 . 1 . . . . 319 SER H . 19996 1 738 . 1 1 176 176 SER C C 13 177.149 0.000 . 1 . . . . 319 SER C . 19996 1 739 . 1 1 176 176 SER CA C 13 60.798 0.000 . 1 . . . . 319 SER CA . 19996 1 740 . 1 1 176 176 SER CB C 13 61.794 0.000 . 1 . . . . 319 SER CB . 19996 1 741 . 1 1 176 176 SER N N 15 113.842 0.071 . 1 . . . . 319 SER N . 19996 1 742 . 1 1 177 177 ILE H H 1 7.125 0.031 . 1 . . . . 320 ILE H . 19996 1 743 . 1 1 177 177 ILE C C 13 178.220 0.000 . 1 . . . . 320 ILE C . 19996 1 744 . 1 1 177 177 ILE CA C 13 63.746 0.000 . 1 . . . . 320 ILE CA . 19996 1 745 . 1 1 177 177 ILE CB C 13 36.553 0.000 . 1 . . . . 320 ILE CB . 19996 1 746 . 1 1 177 177 ILE N N 15 122.270 0.156 . 1 . . . . 320 ILE N . 19996 1 747 . 1 1 178 178 ILE H H 1 7.969 0.018 . 1 . . . . 321 ILE H . 19996 1 748 . 1 1 178 178 ILE C C 13 178.906 0.000 . 1 . . . . 321 ILE C . 19996 1 749 . 1 1 178 178 ILE CA C 13 64.985 0.000 . 1 . . . . 321 ILE CA . 19996 1 750 . 1 1 178 178 ILE CB C 13 37.151 0.000 . 1 . . . . 321 ILE CB . 19996 1 751 . 1 1 178 178 ILE N N 15 120.679 0.125 . 1 . . . . 321 ILE N . 19996 1 752 . 1 1 179 179 ASP H H 1 8.588 0.015 . 1 . . . . 322 ASP H . 19996 1 753 . 1 1 179 179 ASP C C 13 179.265 0.000 . 1 . . . . 322 ASP C . 19996 1 754 . 1 1 179 179 ASP CA C 13 56.690 0.000 . 1 . . . . 322 ASP CA . 19996 1 755 . 1 1 179 179 ASP CB C 13 39.409 0.000 . 1 . . . . 322 ASP CB . 19996 1 756 . 1 1 179 179 ASP N N 15 118.863 0.125 . 1 . . . . 322 ASP N . 19996 1 757 . 1 1 180 180 LYS H H 1 7.285 0.013 . 1 . . . . 323 LYS H . 19996 1 758 . 1 1 180 180 LYS C C 13 178.287 0.000 . 1 . . . . 323 LYS C . 19996 1 759 . 1 1 180 180 LYS CA C 13 57.085 0.000 . 1 . . . . 323 LYS CA . 19996 1 760 . 1 1 180 180 LYS CB C 13 31.161 0.000 . 1 . . . . 323 LYS CB . 19996 1 761 . 1 1 180 180 LYS N N 15 118.219 0.138 . 1 . . . . 323 LYS N . 19996 1 762 . 1 1 181 181 LEU H H 1 7.444 0.006 . 1 . . . . 324 LEU H . 19996 1 763 . 1 1 181 181 LEU C C 13 177.846 0.000 . 1 . . . . 324 LEU C . 19996 1 764 . 1 1 181 181 LEU CA C 13 55.098 0.000 . 1 . . . . 324 LEU CA . 19996 1 765 . 1 1 181 181 LEU CB C 13 41.580 0.000 . 1 . . . . 324 LEU CB . 19996 1 766 . 1 1 181 181 LEU N N 15 118.584 0.143 . 1 . . . . 324 LEU N . 19996 1 767 . 1 1 182 182 GLN H H 1 7.697 0.021 . 1 . . . . 325 GLN H . 19996 1 768 . 1 1 182 182 GLN C C 13 175.541 0.000 . 1 . . . . 325 GLN C . 19996 1 769 . 1 1 182 182 GLN CA C 13 55.296 0.000 . 1 . . . . 325 GLN CA . 19996 1 770 . 1 1 182 182 GLN CB C 13 28.203 0.000 . 1 . . . . 325 GLN CB . 19996 1 771 . 1 1 182 182 GLN N N 15 118.539 0.195 . 1 . . . . 325 GLN N . 19996 1 772 . 1 1 183 183 THR H H 1 7.579 0.014 . 1 . . . . 326 THR H . 19996 1 773 . 1 1 183 183 THR C C 13 179.638 0.000 . 1 . . . . 326 THR C . 19996 1 774 . 1 1 183 183 THR CA C 13 62.986 0.000 . 1 . . . . 326 THR CA . 19996 1 775 . 1 1 183 183 THR CB C 13 70.026 0.000 . 1 . . . . 326 THR CB . 19996 1 776 . 1 1 183 183 THR N N 15 120.422 0.166 . 1 . . . . 326 THR N . 19996 1 stop_ save_