data_19996 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shifts of the murine ROQUIN-1 ROQ domain in complex with Tnf CDE 23mer RNA ; _BMRB_accession_number 19996 _BMRB_flat_file_name bmr19996.str _Entry_type original _Submission_date 2014-05-30 _Accession_date 2014-05-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone chemical shifts of murine ROQUIN-1 ROQ domain (147-326) in complex with Tnf CDE 23mer RNA' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schlundt Andreas . . 2 Sattler Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 166 "13C chemical shifts" 444 "15N chemical shifts" 166 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-07-01 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 25021 'Backbone chemical shifts of murine Roquin-1 ROQ domain (147-326), apo form' stop_ _Original_release_date 2014-07-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for RNA recognition in roquin-mediated post-transcriptional gene regulation' _Citation_status 'in press' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schlundt Andreas . . 2 Heinz Gitta . . 3 Janowski Robert . . 4 Geerlof Arie . . 5 Stehle Ralf . . 6 Heissmeyer Vigo . . 7 Niessing Dierk . . 8 Sattler Michael . . stop_ _Journal_abbreviation 'Nat. Struct. Biol.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ROQ-Tnf _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ROQ $ROQ_domain_of_Roquin-1 Tnf $Tnf_CDE_RNA_23mer stop_ _System_molecular_weight 27763.3 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ROQ_domain_of_Roquin-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ROQ_domain_of_Roquin-1 _Molecular_mass 20758.8 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 183 _Mol_residue_sequence ; GAMEEEGRIRAMRAARSLGE RTVTELILQHQNPQQLSSNL WAAVRARGCQFLGPAMQEEA LKLVLLALEDGSALSRKVLV LFVVQRLEPRFPQASKTSIG HVVQLLYRASCFKVTKRDED SSLMQLKEEFRTYEALRREH DSQIVQIAMEAGLRIAPDQW SSLLYGDQSHKSHMQSIIDK LQT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 144 GLY 2 145 ALA 3 146 MET 4 147 GLU 5 148 GLU 6 149 GLU 7 150 GLY 8 151 ARG 9 152 ILE 10 153 ARG 11 154 ALA 12 155 MET 13 156 ARG 14 157 ALA 15 158 ALA 16 159 ARG 17 160 SER 18 161 LEU 19 162 GLY 20 163 GLU 21 164 ARG 22 165 THR 23 166 VAL 24 167 THR 25 168 GLU 26 169 LEU 27 170 ILE 28 171 LEU 29 172 GLN 30 173 HIS 31 174 GLN 32 175 ASN 33 176 PRO 34 177 GLN 35 178 GLN 36 179 LEU 37 180 SER 38 181 SER 39 182 ASN 40 183 LEU 41 184 TRP 42 185 ALA 43 186 ALA 44 187 VAL 45 188 ARG 46 189 ALA 47 190 ARG 48 191 GLY 49 192 CYS 50 193 GLN 51 194 PHE 52 195 LEU 53 196 GLY 54 197 PRO 55 198 ALA 56 199 MET 57 200 GLN 58 201 GLU 59 202 GLU 60 203 ALA 61 204 LEU 62 205 LYS 63 206 LEU 64 207 VAL 65 208 LEU 66 209 LEU 67 210 ALA 68 211 LEU 69 212 GLU 70 213 ASP 71 214 GLY 72 215 SER 73 216 ALA 74 217 LEU 75 218 SER 76 219 ARG 77 220 LYS 78 221 VAL 79 222 LEU 80 223 VAL 81 224 LEU 82 225 PHE 83 226 VAL 84 227 VAL 85 228 GLN 86 229 ARG 87 230 LEU 88 231 GLU 89 232 PRO 90 233 ARG 91 234 PHE 92 235 PRO 93 236 GLN 94 237 ALA 95 238 SER 96 239 LYS 97 240 THR 98 241 SER 99 242 ILE 100 243 GLY 101 244 HIS 102 245 VAL 103 246 VAL 104 247 GLN 105 248 LEU 106 249 LEU 107 250 TYR 108 251 ARG 109 252 ALA 110 253 SER 111 254 CYS 112 255 PHE 113 256 LYS 114 257 VAL 115 258 THR 116 259 LYS 117 260 ARG 118 261 ASP 119 262 GLU 120 263 ASP 121 264 SER 122 265 SER 123 266 LEU 124 267 MET 125 268 GLN 126 269 LEU 127 270 LYS 128 271 GLU 129 272 GLU 130 273 PHE 131 274 ARG 132 275 THR 133 276 TYR 134 277 GLU 135 278 ALA 136 279 LEU 137 280 ARG 138 281 ARG 139 282 GLU 140 283 HIS 141 284 ASP 142 285 SER 143 286 GLN 144 287 ILE 145 288 VAL 146 289 GLN 147 290 ILE 148 291 ALA 149 292 MET 150 293 GLU 151 294 ALA 152 295 GLY 153 296 LEU 154 297 ARG 155 298 ILE 156 299 ALA 157 300 PRO 158 301 ASP 159 302 GLN 160 303 TRP 161 304 SER 162 305 SER 163 306 LEU 164 307 LEU 165 308 TYR 166 309 GLY 167 310 ASP 168 311 GLN 169 312 SER 170 313 HIS 171 314 LYS 172 315 SER 173 316 HIS 174 317 MET 175 318 GLN 176 319 SER 177 320 ILE 178 321 ILE 179 322 ASP 180 323 LYS 181 324 LEU 182 325 GLN 183 326 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 25021 ROQ_domain_of_Roquin-1 100.00 183 100.00 100.00 2.61e-129 PDB 3X1O "Crystal Structure Of The Roq Domain Of Human Roquin" 98.91 208 99.45 100.00 8.36e-127 PDB 4QI0 "X-ray Structure Of The Roq Domain From Murine Roquin-1" 98.36 180 100.00 100.00 8.52e-127 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 8.52e-127 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 9.40e-125 PDB 4TXA "Crystal Structure Of N-terminus Of Roquin" 98.91 484 98.90 99.45 1.50e-121 PDB 4ULW "Crystal Structure Of The Roq-domain Of Human Roquin1" 81.97 152 100.00 100.00 1.91e-103 PDB 4YWQ "Crystal Structure Of The Roq Domain Of Human Roquin-1" 91.80 170 97.62 97.62 9.90e-114 DBJ BAC23121 "KIAA2025 protein [Homo sapiens]" 98.91 1109 99.45 100.00 3.97e-118 DBJ BAD32613 "mKIAA2025 protein [Mus musculus]" 98.91 1136 99.45 100.00 1.15e-117 DBJ BAE24092 "unnamed protein product [Mus musculus]" 98.91 1130 99.45 100.00 1.28e-117 DBJ BAG53813 "unnamed protein product [Homo sapiens]" 98.91 1125 99.45 100.00 4.62e-118 EMBL CAG07670 "unnamed protein product, partial [Tetraodon nigroviridis]" 98.91 983 98.34 99.45 4.14e-117 EMBL CDQ65000 "unnamed protein product [Oncorhynchus mykiss]" 97.81 1246 97.21 98.88 6.36e-113 EMBL CDQ67780 "unnamed protein product [Oncorhynchus mykiss]" 98.91 1110 97.79 98.90 1.82e-115 EMBL CDQ69323 "unnamed protein product [Oncorhynchus mykiss]" 98.91 1123 98.34 99.45 7.79e-117 GB AAH68669 "MGC81061 protein [Xenopus laevis]" 98.91 1114 99.45 100.00 1.40e-117 GB AAI36785 "Ring finger and CCCH-type zinc finger domains 1 [Homo sapiens]" 98.91 1134 99.45 100.00 5.38e-118 GB AAI38664 "RING CCCH (C3H) domains 1 [Mus musculus]" 98.91 1130 99.45 100.00 1.20e-117 GB AAI44409 "RC3H1 protein [Homo sapiens]" 98.91 1124 99.45 100.00 4.50e-118 GB AAI52932 "RING CCCH (C3H) domains 1, partial [synthetic construct]" 98.91 1130 99.45 100.00 1.20e-117 REF NP_001020123 "roquin-1 [Mus musculus]" 98.91 1130 99.45 100.00 1.20e-117 REF NP_001076328 "roquin-1 [Danio rerio]" 98.91 1078 98.90 99.45 4.36e-117 REF NP_001084548 "roquin-1 [Xenopus laevis]" 98.91 1114 99.45 100.00 1.40e-117 REF NP_001108155 "roquin [Danio rerio]" 98.91 1111 98.34 99.45 7.39e-117 REF NP_001287779 "roquin-1 isoform a [Homo sapiens]" 98.91 1134 99.45 100.00 5.38e-118 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 1.20e-117 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 5.58e-118 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 1.40e-117 TPG DAA21174 "TPA: hypothetical protein BOS_15973 [Bos taurus]" 98.91 736 99.45 100.00 4.05e-121 stop_ save_ save_Tnf_CDE_RNA_23mer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common Tnf_CDE_RNA_23mer _Molecular_mass 7004.5 _Mol_thiol_state 'not present' _Details . _Residue_count 23 _Mol_residue_sequence ; ACAUGUUUUCUGUGAAAACG GAG ; loop_ _Residue_seq_code _Residue_label 1 A 2 C 3 A 4 U 5 G 6 U 7 U 8 U 9 U 10 C 11 U 12 G 13 U 14 G 15 A 16 A 17 A 18 A 19 C 20 G 21 G 22 A 23 G stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ROQ_domain_of_Roquin-1 Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $ROQ_domain_of_Roquin-1 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pETTrx1a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ROQ_domain_of_Roquin-1 . uM 200 350 '[U-98% 13C; U-98% 15N]' 'TRIS, pH 7.0' 20 mM . . 'natural abundance' TCEP 2 mM . . 'natural abundance' 'sodium chloride' 150 mM . . 'natural abundance' $Tnf_CDE_RNA_23mer 250 uM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version 2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 7.0 . pH pressure 1 . atm 'ionic strength' 150 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HNCO' '3D HCACO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ROQ _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 145 2 ALA H H 8.253 0.017 1 2 145 2 ALA C C 177.202 0.000 1 3 145 2 ALA CA C 51.877 0.000 1 4 145 2 ALA N N 125.154 0.023 1 5 146 3 MET H H 8.115 0.018 1 6 146 3 MET C C 175.943 0.000 1 7 146 3 MET CA C 55.972 0.000 1 8 146 3 MET CB C 29.374 0.000 1 9 146 3 MET N N 121.372 0.203 1 10 147 4 GLU H H 8.337 0.025 1 11 147 4 GLU C C 172.445 0.000 1 12 147 4 GLU CA C 56.800 0.000 1 13 147 4 GLU CB C 28.793 0.000 1 14 147 4 GLU N N 121.115 0.069 1 15 148 5 GLU H H 8.239 0.010 1 16 148 5 GLU C C 175.552 0.000 1 17 148 5 GLU CA C 57.103 0.000 1 18 148 5 GLU CB C 28.905 0.000 1 19 148 5 GLU N N 121.252 0.176 1 20 149 6 GLU H H 8.332 0.000 1 21 149 6 GLU C C 174.225 0.000 1 22 149 6 GLU CA C 57.553 0.000 1 23 149 6 GLU CB C 28.599 0.000 1 24 149 6 GLU N N 120.670 0.000 1 25 150 7 GLY H H 8.270 0.035 1 26 150 7 GLY CA C 45.868 0.000 1 27 150 7 GLY N N 107.771 0.201 1 28 151 8 ARG H H 7.897 0.015 1 29 151 8 ARG CA C 57.318 0.000 1 30 151 8 ARG CB C 29.089 0.000 1 31 151 8 ARG N N 121.616 0.159 1 32 152 9 ILE CA C 62.423 0.000 1 33 152 9 ILE CB C 37.061 0.000 1 34 153 10 ARG H H 8.133 0.000 1 35 153 10 ARG C C 179.222 0.000 1 36 153 10 ARG CA C 57.416 0.000 1 37 153 10 ARG CB C 29.308 0.050 1 38 153 10 ARG N N 122.006 0.000 1 39 154 11 ALA H H 7.965 0.020 1 40 154 11 ALA C C 179.599 0.000 1 41 154 11 ALA CA C 53.175 0.000 1 42 154 11 ALA CB C 17.534 0.000 1 43 154 11 ALA N N 122.440 0.084 1 44 155 12 MET H H 8.064 0.028 1 45 155 12 MET C C 175.867 0.000 1 46 155 12 MET CA C 56.324 0.000 1 47 155 12 MET CB C 31.648 0.000 1 48 155 12 MET N N 118.648 0.193 1 49 156 13 ARG C C 178.202 0.000 1 50 156 13 ARG CA C 57.179 0.000 1 51 156 13 ARG CB C 27.205 0.000 1 52 157 14 ALA H H 8.019 0.000 1 53 157 14 ALA CA C 52.683 0.000 1 54 157 14 ALA CB C 18.019 0.000 1 55 157 14 ALA N N 123.369 0.000 1 56 158 15 ALA H H 7.956 0.000 1 57 158 15 ALA CA C 52.453 0.000 1 58 158 15 ALA CB C 17.954 0.000 1 59 158 15 ALA N N 121.943 0.000 1 60 160 17 SER H H 8.037 0.000 1 61 160 17 SER CA C 57.298 0.000 1 62 160 17 SER CB C 63.052 0.000 1 63 160 17 SER N N 113.262 0.000 1 64 161 18 LEU H H 8.164 0.004 1 65 161 18 LEU CA C 55.286 0.000 1 66 161 18 LEU CB C 40.956 0.000 1 67 161 18 LEU N N 123.582 0.081 1 68 162 19 GLY H H 8.224 0.000 1 69 162 19 GLY CA C 44.769 0.000 1 70 162 19 GLY N N 108.518 0.000 1 71 163 20 GLU H H 8.087 0.000 1 72 163 20 GLU C C 178.199 0.000 1 73 163 20 GLU CA C 56.023 0.000 1 74 163 20 GLU CB C 29.318 0.000 1 75 163 20 GLU N N 120.464 0.000 1 76 164 21 ARG H H 8.025 0.008 1 77 164 21 ARG CA C 56.298 0.000 1 78 164 21 ARG CB C 29.597 0.000 1 79 164 21 ARG N N 119.131 0.141 1 80 165 22 THR H H 8.160 0.021 1 81 165 22 THR C C 178.405 0.000 1 82 165 22 THR CA C 61.678 0.000 1 83 165 22 THR CB C 69.261 0.000 1 84 165 22 THR N N 115.756 0.027 1 85 166 23 VAL H H 8.163 0.027 1 86 166 23 VAL C C 179.593 0.000 1 87 166 23 VAL CA C 62.309 0.000 1 88 166 23 VAL CB C 31.443 0.000 1 89 166 23 VAL N N 122.227 0.229 1 90 167 24 THR H H 8.033 0.000 1 91 167 24 THR CA C 62.168 0.000 1 92 167 24 THR CB C 68.864 0.000 1 93 167 24 THR N N 117.241 0.000 1 94 168 25 GLU H H 8.251 0.016 1 95 168 25 GLU CA C 56.407 0.000 1 96 168 25 GLU CB C 29.222 0.000 1 97 168 25 GLU N N 122.899 0.103 1 98 169 26 LEU H H 8.105 0.021 1 99 169 26 LEU CA C 55.111 0.000 1 100 169 26 LEU CB C 40.930 0.000 1 101 169 26 LEU N N 122.835 0.086 1 102 170 27 ILE H H 7.971 0.013 1 103 170 27 ILE CA C 60.837 0.000 1 104 170 27 ILE CB C 37.066 0.000 1 105 170 27 ILE N N 121.597 0.154 1 106 171 28 LEU H H 8.184 0.062 1 107 171 28 LEU CA C 54.856 0.000 1 108 171 28 LEU CB C 40.848 0.000 1 109 171 28 LEU N N 122.689 2.312 1 110 172 29 GLN H H 7.879 0.000 1 111 172 29 GLN CA C 56.899 0.000 1 112 172 29 GLN CB C 27.751 0.000 1 113 172 29 GLN N N 120.628 0.000 1 114 173 30 HIS H H 7.938 0.000 1 115 173 30 HIS CA C 57.375 0.000 1 116 173 30 HIS CB C 28.798 0.000 1 117 173 30 HIS N N 123.832 0.000 1 118 174 31 GLN H H 7.935 0.036 1 119 174 31 GLN CA C 57.167 0.000 1 120 174 31 GLN CB C 27.719 0.000 1 121 174 31 GLN N N 120.307 0.150 1 122 176 33 PRO CA C 64.308 0.000 1 123 176 33 PRO CB C 30.769 0.000 1 124 177 34 GLN H H 8.213 0.000 1 125 177 34 GLN C C 180.473 0.000 1 126 177 34 GLN CA C 57.440 0.000 1 127 177 34 GLN CB C 27.252 0.000 1 128 177 34 GLN N N 118.369 0.000 1 129 178 35 GLN H H 8.214 0.000 1 130 178 35 GLN C C 177.684 0.000 1 131 178 35 GLN CA C 57.347 0.000 1 132 178 35 GLN CB C 27.209 0.000 1 133 178 35 GLN N N 118.416 0.000 1 134 179 36 LEU H H 7.806 0.013 1 135 179 36 LEU C C 178.755 0.000 1 136 179 36 LEU CA C 57.338 0.000 1 137 179 36 LEU CB C 40.724 0.000 1 138 179 36 LEU N N 120.294 0.205 1 139 180 37 SER H H 7.878 0.006 1 140 180 37 SER C C 178.766 0.000 1 141 180 37 SER CA C 60.414 0.000 1 142 180 37 SER CB C 61.404 0.000 1 143 180 37 SER N N 112.263 0.063 1 144 181 38 SER H H 7.652 0.003 1 145 181 38 SER C C 174.462 0.000 1 146 181 38 SER CA C 61.534 0.000 1 147 181 38 SER CB C 61.791 0.000 1 148 181 38 SER N N 115.293 0.013 1 149 182 39 ASN H H 8.146 0.021 1 150 182 39 ASN C C 178.153 0.000 1 151 182 39 ASN CA C 54.975 0.000 1 152 182 39 ASN CB C 36.982 0.000 1 153 182 39 ASN N N 120.138 0.138 1 154 183 40 LEU H H 8.032 0.000 1 155 183 40 LEU C C 178.592 0.000 1 156 183 40 LEU CA C 57.276 0.000 1 157 183 40 LEU CB C 38.941 0.000 1 158 183 40 LEU N N 123.664 0.000 1 159 184 41 TRP H H 7.988 0.000 1 160 184 41 TRP HE1 H 10.160 0.014 1 161 184 41 TRP C C 179.902 0.000 1 162 184 41 TRP CA C 57.960 0.000 1 163 184 41 TRP CB C 28.319 0.000 1 164 184 41 TRP N N 117.265 0.143 1 165 184 41 TRP NE1 N 128.559 0.240 1 166 185 42 ALA H H 8.059 0.000 1 167 185 42 ALA C C 180.269 0.000 1 168 185 42 ALA CA C 54.431 0.000 1 169 185 42 ALA CB C 17.336 0.000 1 170 185 42 ALA N N 119.913 0.000 1 171 186 43 ALA H H 7.721 0.010 1 172 186 43 ALA C C 180.772 0.000 1 173 186 43 ALA CA C 54.410 0.000 1 174 186 43 ALA CB C 16.178 0.000 1 175 186 43 ALA N N 123.069 0.185 1 176 187 44 VAL H H 8.208 0.015 1 177 187 44 VAL C C 178.796 0.000 1 178 187 44 VAL CA C 66.387 0.000 1 179 187 44 VAL CB C 31.356 0.000 1 180 187 44 VAL N N 119.382 0.161 1 181 188 45 ARG H H 8.412 0.011 1 182 188 45 ARG C C 181.314 0.000 1 183 188 45 ARG CA C 57.833 0.000 1 184 188 45 ARG CB C 28.699 0.000 1 185 188 45 ARG N N 120.207 0.174 1 186 189 46 ALA H H 8.154 0.008 1 187 189 46 ALA C C 179.188 0.000 1 188 189 46 ALA CA C 53.600 0.000 1 189 189 46 ALA CB C 16.872 0.000 1 190 189 46 ALA N N 122.484 0.092 1 191 190 47 ARG H H 7.049 0.021 1 192 190 47 ARG C C 176.485 0.000 1 193 190 47 ARG CA C 53.847 0.000 1 194 190 47 ARG CB C 28.236 0.000 1 195 190 47 ARG N N 115.024 0.271 1 196 191 48 GLY H H 8.386 0.000 1 197 191 48 GLY C C 173.381 0.000 1 198 191 48 GLY CA C 45.317 0.000 1 199 191 48 GLY N N 110.679 0.000 1 200 192 49 CYS H H 6.840 0.020 1 201 192 49 CYS C C 172.831 0.000 1 202 192 49 CYS CA C 56.542 0.000 1 203 192 49 CYS CB C 31.206 0.000 1 204 192 49 CYS N N 112.652 0.168 1 205 193 50 GLN H H 6.352 0.000 1 206 193 50 GLN C C 172.513 0.000 1 207 193 50 GLN CA C 55.855 0.000 1 208 193 50 GLN CB C 33.221 0.000 1 209 193 50 GLN N N 114.963 0.000 1 210 194 51 PHE H H 8.202 0.022 1 211 194 51 PHE C C 175.514 0.000 1 212 194 51 PHE CA C 56.251 0.000 1 213 194 51 PHE CB C 41.294 0.000 1 214 194 51 PHE N N 121.115 0.175 1 215 195 52 LEU H H 8.201 0.000 1 216 195 52 LEU C C 175.708 0.000 1 217 195 52 LEU CA C 54.794 0.000 1 218 195 52 LEU CB C 39.709 0.000 1 219 195 52 LEU N N 126.892 0.000 1 220 197 54 PRO C C 179.386 0.000 1 221 197 54 PRO CA C 66.971 0.000 1 222 197 54 PRO CB C 31.151 0.000 1 223 198 55 ALA H H 8.032 0.021 1 224 198 55 ALA C C 180.367 0.000 1 225 198 55 ALA CA C 54.482 0.000 1 226 198 55 ALA CB C 17.156 0.000 1 227 198 55 ALA N N 119.722 0.194 1 228 199 56 MET H H 8.166 0.032 1 229 199 56 MET C C 177.779 0.000 1 230 199 56 MET CA C 58.267 0.000 1 231 199 56 MET CB C 30.551 0.000 1 232 199 56 MET N N 117.885 0.173 1 233 200 57 GLN H H 8.268 0.000 1 234 200 57 GLN C C 179.350 0.000 1 235 200 57 GLN CA C 59.561 0.000 1 236 200 57 GLN CB C 26.637 0.000 1 237 200 57 GLN N N 117.974 0.050 1 238 201 58 GLU H H 7.095 0.024 1 239 201 58 GLU C C 177.958 0.000 1 240 201 58 GLU CA C 59.235 0.000 1 241 201 58 GLU CB C 28.204 0.000 1 242 201 58 GLU N N 115.325 0.166 1 243 202 59 GLU H H 7.412 0.016 1 244 202 59 GLU C C 179.449 0.000 1 245 202 59 GLU CA C 58.626 0.000 1 246 202 59 GLU CB C 27.810 0.000 1 247 202 59 GLU N N 115.992 0.171 1 248 203 60 ALA H H 8.435 0.000 1 249 203 60 ALA C C 175.698 0.000 1 250 203 60 ALA CA C 54.802 0.000 1 251 203 60 ALA CB C 21.169 0.000 1 252 203 60 ALA N N 120.953 0.000 1 253 206 63 LEU CA C 54.129 0.000 1 254 208 65 LEU CA C 55.736 0.000 1 255 209 66 LEU H H 8.364 0.000 1 256 209 66 LEU C C 175.468 0.000 1 257 209 66 LEU CA C 55.073 0.000 1 258 209 66 LEU CB C 37.498 0.000 1 259 209 66 LEU N N 121.570 0.000 1 260 210 67 ALA H H 8.463 0.000 1 261 210 67 ALA C C 175.733 0.000 1 262 210 67 ALA CA C 50.876 0.000 1 263 210 67 ALA CB C 21.516 0.000 1 264 210 67 ALA N N 120.654 0.000 1 265 211 68 LEU CA C 54.109 0.000 1 266 212 69 GLU H H 9.556 0.000 1 267 212 69 GLU CA C 59.294 0.000 1 268 212 69 GLU CB C 27.047 0.000 1 269 212 69 GLU N N 124.159 0.000 1 270 213 70 ASP H H 8.209 0.000 1 271 213 70 ASP CA C 52.707 0.000 1 272 213 70 ASP CB C 38.517 0.000 1 273 213 70 ASP N N 117.148 0.000 1 274 214 71 GLY H H 8.051 0.003 1 275 214 71 GLY CA C 44.670 0.000 1 276 214 71 GLY N N 106.613 0.009 1 277 215 72 SER H H 7.984 0.000 1 278 215 72 SER C C 176.200 0.000 1 279 215 72 SER CA C 60.516 0.000 1 280 215 72 SER CB C 59.386 0.000 1 281 215 72 SER N N 117.732 0.000 1 282 216 73 ALA H H 8.129 0.000 1 283 216 73 ALA CA C 49.043 0.000 1 284 216 73 ALA CB C 18.061 0.000 1 285 216 73 ALA N N 122.631 0.000 1 286 217 74 LEU H H 8.205 0.000 1 287 217 74 LEU CA C 52.326 0.000 1 288 217 74 LEU N N 121.199 0.000 1 289 218 75 SER H H 8.295 0.000 1 290 218 75 SER CA C 56.237 0.000 1 291 218 75 SER N N 117.386 0.000 1 292 219 76 ARG H H 9.301 0.000 1 293 219 76 ARG CA C 60.123 0.000 1 294 219 76 ARG N N 121.830 0.000 1 295 220 77 LYS H H 8.176 0.005 1 296 220 77 LYS CA C 59.441 0.000 1 297 220 77 LYS CB C 31.743 0.000 1 298 220 77 LYS N N 115.277 0.039 1 299 221 78 VAL H H 7.098 0.000 1 300 221 78 VAL CA C 65.778 0.000 1 301 221 78 VAL N N 118.796 0.000 1 302 222 79 LEU H H 8.229 0.000 1 303 222 79 LEU C C 178.003 0.000 1 304 222 79 LEU CA C 57.508 0.000 1 305 222 79 LEU CB C 40.641 0.000 1 306 222 79 LEU N N 121.810 0.000 1 307 223 80 VAL H H 8.537 0.000 1 308 223 80 VAL C C 178.297 0.000 1 309 223 80 VAL CA C 66.643 0.000 1 310 223 80 VAL CB C 30.189 0.000 1 311 223 80 VAL N N 116.565 0.065 1 312 224 81 LEU H H 7.712 0.000 1 313 224 81 LEU CA C 57.512 0.000 1 314 224 81 LEU N N 118.121 0.000 1 315 225 82 PHE H H 8.165 0.000 1 316 225 82 PHE CA C 60.100 0.000 1 317 225 82 PHE N N 119.646 0.000 1 318 226 83 VAL CA C 65.428 0.000 1 319 227 84 VAL H H 8.924 0.000 1 320 227 84 VAL N N 118.993 0.000 1 321 228 85 GLN H H 8.271 0.000 1 322 228 85 GLN CA C 58.183 0.000 1 323 228 85 GLN N N 113.930 0.000 1 324 229 86 ARG H H 6.861 0.000 1 325 229 86 ARG CA C 56.399 0.000 1 326 229 86 ARG N N 114.526 0.000 1 327 230 87 LEU H H 8.192 0.000 1 328 230 87 LEU CA C 55.318 0.000 1 329 230 87 LEU N N 121.335 0.000 1 330 231 88 GLU H H 7.999 0.000 1 331 231 88 GLU CA C 59.475 0.000 1 332 231 88 GLU N N 120.120 0.000 1 333 232 89 PRO C C 178.077 0.000 1 334 232 89 PRO CA C 65.244 0.000 1 335 232 89 PRO CB C 31.481 0.000 1 336 233 90 ARG H H 7.145 0.016 1 337 233 90 ARG C C 175.706 0.000 1 338 233 90 ARG CA C 55.862 0.000 1 339 233 90 ARG CB C 31.108 0.000 1 340 233 90 ARG N N 112.823 0.137 1 341 234 91 PHE H H 8.172 0.015 1 342 234 91 PHE C C 173.084 0.000 1 343 234 91 PHE CA C 54.032 0.000 1 344 234 91 PHE CB C 38.621 0.000 1 345 234 91 PHE N N 117.623 0.095 1 346 235 92 PRO C C 177.592 0.000 1 347 235 92 PRO CA C 63.896 0.000 1 348 235 92 PRO CB C 31.085 0.000 1 349 236 93 GLN H H 8.859 0.035 1 350 236 93 GLN C C 177.260 0.000 1 351 236 93 GLN CA C 55.679 0.000 1 352 236 93 GLN CB C 26.748 0.000 1 353 236 93 GLN N N 114.918 0.211 1 354 237 94 ALA H H 8.218 0.022 1 355 237 94 ALA C C 174.763 0.000 1 356 237 94 ALA CA C 52.977 0.000 1 357 237 94 ALA CB C 17.789 0.000 1 358 237 94 ALA N N 125.311 0.148 1 359 238 95 SER H H 7.442 0.010 1 360 238 95 SER C C 174.585 0.000 1 361 238 95 SER CA C 55.242 0.000 1 362 238 95 SER CB C 66.304 0.000 1 363 238 95 SER N N 114.205 0.148 1 364 239 96 LYS H H 8.361 0.000 1 365 239 96 LYS CA C 59.771 0.000 1 366 239 96 LYS CB C 36.345 0.000 1 367 239 96 LYS N N 123.251 0.000 1 368 240 97 THR H H 7.996 0.000 1 369 240 97 THR C C 176.249 0.000 1 370 240 97 THR CA C 66.527 0.000 1 371 240 97 THR N N 116.612 0.000 1 372 241 98 SER H H 7.740 0.024 1 373 241 98 SER C C 176.980 0.000 1 374 241 98 SER CA C 60.544 0.000 1 375 241 98 SER CB C 61.885 0.053 1 376 241 98 SER N N 117.908 0.113 1 377 242 99 ILE H H 8.260 0.028 1 378 242 99 ILE C C 179.628 0.000 1 379 242 99 ILE CA C 60.821 0.003 1 380 242 99 ILE CB C 32.474 0.000 1 381 242 99 ILE N N 120.259 0.217 1 382 243 100 GLY H H 8.082 0.009 1 383 243 100 GLY C C 176.791 0.000 1 384 243 100 GLY CA C 46.606 0.000 1 385 243 100 GLY N N 110.020 0.097 1 386 244 101 HIS H H 7.445 0.023 1 387 244 101 HIS C C 178.465 0.000 1 388 244 101 HIS CA C 55.892 0.000 1 389 244 101 HIS CB C 30.526 0.000 1 390 244 101 HIS N N 120.354 0.057 1 391 245 102 VAL H H 7.731 0.012 1 392 245 102 VAL C C 179.010 0.000 1 393 245 102 VAL CA C 66.307 0.000 1 394 245 102 VAL CB C 30.583 0.000 1 395 245 102 VAL N N 123.104 0.102 1 396 246 103 VAL H H 8.354 0.015 1 397 246 103 VAL C C 178.575 0.000 1 398 246 103 VAL CA C 66.863 0.000 1 399 246 103 VAL CB C 30.066 0.000 1 400 246 103 VAL N N 119.161 0.061 1 401 247 104 GLN H H 8.317 0.022 1 402 247 104 GLN C C 177.978 0.000 1 403 247 104 GLN CA C 57.417 0.000 1 404 247 104 GLN CB C 25.848 0.000 1 405 247 104 GLN N N 119.738 0.078 1 406 248 105 LEU H H 7.552 0.020 1 407 248 105 LEU C C 178.661 0.000 1 408 248 105 LEU CA C 58.625 0.000 1 409 248 105 LEU CB C 41.823 0.000 1 410 248 105 LEU N N 121.769 0.170 1 411 249 106 LEU H H 7.374 0.002 1 412 249 106 LEU C C 178.554 0.000 1 413 249 106 LEU CA C 56.077 0.000 1 414 249 106 LEU CB C 39.598 0.000 1 415 249 106 LEU N N 115.743 0.012 1 416 250 107 TYR H H 8.872 0.021 1 417 250 107 TYR C C 181.383 0.000 1 418 250 107 TYR CA C 59.738 0.000 1 419 250 107 TYR CB C 38.306 0.000 1 420 250 107 TYR N N 121.550 0.050 1 421 251 108 ARG H H 9.203 0.007 1 422 251 108 ARG C C 177.404 0.000 1 423 251 108 ARG CA C 57.967 0.000 1 424 251 108 ARG CB C 29.302 0.015 1 425 251 108 ARG N N 124.260 0.028 1 426 252 109 ALA H H 7.354 0.026 1 427 252 109 ALA C C 175.518 0.000 1 428 252 109 ALA CA C 51.249 0.000 1 429 252 109 ALA CB C 18.399 0.000 1 430 252 109 ALA N N 118.169 0.177 1 431 253 110 SER H H 7.785 0.007 1 432 253 110 SER C C 175.846 0.000 1 433 253 110 SER CA C 58.028 0.000 1 434 253 110 SER CB C 60.666 0.000 1 435 253 110 SER N N 110.249 0.071 1 436 254 111 CYS H H 7.261 0.009 1 437 254 111 CYS C C 174.366 0.000 1 438 254 111 CYS CA C 60.402 0.000 1 439 254 111 CYS CB C 26.281 0.000 1 440 254 111 CYS N N 111.520 0.088 1 441 255 112 PHE H H 7.989 0.000 1 442 255 112 PHE C C 176.487 0.000 1 443 255 112 PHE CA C 55.211 0.000 1 444 255 112 PHE CB C 39.808 0.000 1 445 255 112 PHE N N 113.623 0.062 1 446 256 113 LYS H H 9.256 0.000 1 447 256 113 LYS C C 176.800 0.000 1 448 256 113 LYS CA C 54.868 0.000 1 449 256 113 LYS CB C 32.659 0.000 1 450 256 113 LYS N N 122.077 0.000 1 451 257 114 VAL H H 9.021 0.000 1 452 257 114 VAL CA C 61.375 0.000 1 453 257 114 VAL N N 131.143 0.000 1 454 258 115 THR H H 9.333 0.000 1 455 258 115 THR C C 174.601 0.000 1 456 258 115 THR CA C 60.926 0.000 1 457 258 115 THR CB C 69.580 0.000 1 458 258 115 THR N N 125.865 0.000 1 459 259 116 LYS H H 8.500 0.000 1 460 259 116 LYS C C 176.170 0.000 1 461 259 116 LYS CA C 55.838 0.000 1 462 259 116 LYS CB C 32.057 0.000 1 463 259 116 LYS N N 125.342 0.000 1 464 260 117 ARG H H 9.342 0.000 1 465 260 117 ARG CA C 54.424 0.000 1 466 260 117 ARG N N 122.786 0.000 1 467 261 118 ASP H H 8.222 0.000 1 468 261 118 ASP CA C 55.364 0.000 1 469 261 118 ASP N N 120.887 0.000 1 470 262 119 GLU H H 8.775 0.000 1 471 262 119 GLU CA C 55.873 0.000 1 472 262 119 GLU N N 119.437 0.000 1 473 263 120 ASP H H 7.278 0.000 1 474 263 120 ASP CA C 51.038 0.000 1 475 263 120 ASP N N 115.157 0.000 1 476 264 121 SER H H 8.943 0.000 1 477 264 121 SER CA C 58.063 0.000 1 478 264 121 SER CB C 60.773 0.000 1 479 264 121 SER N N 114.274 0.000 1 480 265 122 SER H H 7.777 0.000 1 481 265 122 SER CA C 58.038 0.000 1 482 265 122 SER CB C 60.504 0.000 1 483 265 122 SER N N 118.800 0.000 1 484 266 123 LEU H H 8.636 0.000 1 485 266 123 LEU CA C 52.502 0.000 1 486 266 123 LEU N N 120.822 0.000 1 487 267 124 MET H H 8.590 0.000 1 488 267 124 MET C C 176.298 0.000 1 489 267 124 MET CA C 54.124 0.000 1 490 267 124 MET N N 117.561 0.000 1 491 268 125 GLN H H 8.339 0.000 1 492 268 125 GLN CA C 52.591 0.000 1 493 268 125 GLN N N 118.422 0.000 1 494 269 126 LEU H H 9.674 0.000 1 495 269 126 LEU C C 178.313 0.000 1 496 269 126 LEU CA C 54.562 0.000 1 497 269 126 LEU CB C 42.501 0.000 1 498 269 126 LEU N N 126.203 0.000 1 499 270 127 LYS H H 8.554 0.006 1 500 270 127 LYS C C 178.028 0.000 1 501 270 127 LYS CA C 57.709 0.000 1 502 270 127 LYS CB C 31.716 0.000 1 503 270 127 LYS N N 127.528 0.000 1 504 271 128 GLU H H 9.133 0.000 1 505 271 128 GLU C C 178.264 0.000 1 506 271 128 GLU CA C 60.561 0.000 1 507 271 128 GLU CB C 28.232 0.000 1 508 271 128 GLU N N 122.667 0.031 1 509 272 129 GLU H H 9.707 0.016 1 510 272 129 GLU C C 177.125 0.000 1 511 272 129 GLU CA C 57.302 0.000 1 512 272 129 GLU CB C 26.901 0.000 1 513 272 129 GLU N N 116.393 0.116 1 514 273 130 PHE H H 7.837 0.018 1 515 273 130 PHE C C 173.991 0.000 1 516 273 130 PHE CA C 54.163 0.000 1 517 273 130 PHE CB C 38.207 0.000 1 518 273 130 PHE N N 118.962 0.083 1 519 274 131 ARG H H 6.998 0.016 1 520 274 131 ARG C C 175.436 0.000 1 521 274 131 ARG CA C 56.254 0.000 1 522 274 131 ARG CB C 27.824 0.000 1 523 274 131 ARG N N 114.502 0.068 1 524 275 132 THR H H 7.314 0.008 1 525 275 132 THR C C 174.319 0.000 1 526 275 132 THR CA C 59.043 0.000 1 527 275 132 THR CB C 71.473 0.000 1 528 275 132 THR N N 107.707 0.149 1 529 276 133 TYR H H 9.396 0.005 1 530 276 133 TYR C C 176.621 0.000 1 531 276 133 TYR CA C 62.321 0.000 1 532 276 133 TYR CB C 36.521 0.000 1 533 276 133 TYR N N 123.802 0.094 1 534 277 134 GLU H H 9.109 0.014 1 535 277 134 GLU C C 179.444 0.000 1 536 277 134 GLU CA C 59.796 0.000 1 537 277 134 GLU CB C 27.813 0.000 1 538 277 134 GLU N N 116.690 0.053 1 539 278 135 ALA H H 7.284 0.006 1 540 278 135 ALA C C 180.455 0.000 1 541 278 135 ALA CA C 54.223 0.000 1 542 278 135 ALA CB C 19.178 0.000 1 543 278 135 ALA N N 119.624 0.078 1 544 279 136 LEU H H 8.210 0.013 1 545 279 136 LEU C C 179.076 0.000 1 546 279 136 LEU CA C 57.758 0.000 1 547 279 136 LEU CB C 41.055 0.000 1 548 279 136 LEU N N 120.356 0.140 1 549 280 137 ARG H H 9.101 0.021 1 550 280 137 ARG C C 178.257 0.000 1 551 280 137 ARG CA C 55.740 0.000 1 552 280 137 ARG CB C 27.202 0.000 1 553 280 137 ARG N N 116.743 0.228 1 554 281 138 ARG H H 7.587 0.013 1 555 281 138 ARG C C 178.433 0.000 1 556 281 138 ARG CA C 59.978 0.000 1 557 281 138 ARG CB C 28.235 0.000 1 558 281 138 ARG N N 119.249 0.187 1 559 282 139 GLU H H 7.369 0.019 1 560 282 139 GLU C C 179.610 0.000 1 561 282 139 GLU CA C 58.200 0.000 1 562 282 139 GLU CB C 27.912 0.000 1 563 282 139 GLU N N 118.874 0.112 1 564 283 140 HIS H H 8.163 0.000 1 565 283 140 HIS C C 175.823 0.000 1 566 283 140 HIS CA C 59.456 0.000 1 567 283 140 HIS CB C 27.764 0.000 1 568 283 140 HIS N N 118.556 0.132 1 569 284 141 ASP H H 8.937 0.004 1 570 284 141 ASP C C 177.861 0.000 1 571 284 141 ASP CA C 56.635 0.000 1 572 284 141 ASP CB C 39.285 0.000 1 573 284 141 ASP N N 119.130 0.057 1 574 285 142 SER H H 8.194 0.003 1 575 285 142 SER C C 176.145 0.000 1 576 285 142 SER CA C 60.564 0.000 1 577 285 142 SER CB C 62.086 0.000 1 578 285 142 SER N N 112.662 0.020 1 579 286 143 GLN H H 7.777 0.033 1 580 286 143 GLN C C 177.763 0.000 1 581 286 143 GLN CA C 57.090 0.000 1 582 286 143 GLN CB C 26.050 0.000 1 583 286 143 GLN N N 119.327 0.207 1 584 287 144 ILE H H 7.264 0.003 1 585 287 144 ILE C C 177.371 0.000 1 586 287 144 ILE CA C 65.669 0.000 1 587 287 144 ILE CB C 35.540 0.000 1 588 287 144 ILE N N 118.261 0.012 1 589 288 145 VAL H H 7.491 0.029 1 590 288 145 VAL C C 178.447 0.000 1 591 288 145 VAL CA C 65.065 0.000 1 592 288 145 VAL CB C 29.284 0.000 1 593 288 145 VAL N N 119.461 0.183 1 594 289 146 GLN H H 8.424 0.011 1 595 289 146 GLN C C 179.468 0.000 1 596 289 146 GLN CA C 59.221 0.000 1 597 289 146 GLN CB C 27.753 0.000 1 598 289 146 GLN N N 119.798 0.142 1 599 290 147 ILE H H 8.167 0.015 1 600 290 147 ILE C C 178.387 0.000 1 601 290 147 ILE CA C 65.304 0.000 1 602 290 147 ILE CB C 36.632 0.000 1 603 290 147 ILE N N 121.337 0.170 1 604 291 148 ALA H H 8.162 0.017 1 605 291 148 ALA C C 180.008 0.000 1 606 291 148 ALA CA C 55.165 0.000 1 607 291 148 ALA CB C 17.462 0.000 1 608 291 148 ALA N N 121.872 0.164 1 609 292 149 MET H H 8.727 0.005 1 610 292 149 MET C C 181.570 0.000 1 611 292 149 MET CA C 58.717 0.000 1 612 292 149 MET CB C 31.463 0.000 1 613 292 149 MET N N 117.137 0.065 1 614 293 150 GLU H H 8.452 0.016 1 615 293 150 GLU C C 178.402 0.000 1 616 293 150 GLU CA C 58.771 0.000 1 617 293 150 GLU CB C 28.387 0.000 1 618 293 150 GLU N N 122.257 0.121 1 619 294 151 ALA H H 7.722 0.028 1 620 294 151 ALA C C 177.352 0.000 1 621 294 151 ALA CA C 51.362 0.000 1 622 294 151 ALA CB C 17.707 0.000 1 623 294 151 ALA N N 119.527 0.155 1 624 295 152 GLY H H 7.755 0.008 1 625 295 152 GLY C C 174.680 0.000 1 626 295 152 GLY CA C 45.169 0.000 1 627 295 152 GLY N N 107.247 0.156 1 628 296 153 LEU H H 8.189 0.018 1 629 296 153 LEU C C 176.301 0.000 1 630 296 153 LEU CA C 53.363 0.000 1 631 296 153 LEU CB C 40.960 0.000 1 632 296 153 LEU N N 120.360 0.211 1 633 297 154 ARG H H 8.455 0.019 1 634 297 154 ARG C C 174.335 0.000 1 635 297 154 ARG CA C 54.621 0.000 1 636 297 154 ARG CB C 28.904 0.000 1 637 297 154 ARG N N 125.780 0.171 1 638 298 155 ILE H H 8.408 0.018 1 639 298 155 ILE C C 175.220 0.000 1 640 298 155 ILE CA C 60.341 0.000 1 641 298 155 ILE CB C 39.032 0.000 1 642 298 155 ILE N N 127.166 0.177 1 643 299 156 ALA H H 8.585 0.011 1 644 299 156 ALA C C 177.658 0.000 1 645 299 156 ALA CA C 50.602 0.000 1 646 299 156 ALA CB C 17.576 0.000 1 647 299 156 ALA N N 130.580 0.149 1 648 300 157 PRO C C 177.588 0.000 1 649 300 157 PRO CA C 66.586 0.000 1 650 300 157 PRO CB C 31.219 0.000 1 651 301 158 ASP H H 8.893 0.016 1 652 301 158 ASP C C 178.498 0.000 1 653 301 158 ASP CA C 56.522 0.000 1 654 301 158 ASP CB C 38.173 0.000 1 655 301 158 ASP N N 115.253 0.136 1 656 302 159 GLN H H 7.358 0.009 1 657 302 159 GLN C C 178.991 0.000 1 658 302 159 GLN CA C 57.445 0.000 1 659 302 159 GLN CB C 26.868 0.000 1 660 302 159 GLN N N 122.872 0.177 1 661 303 160 TRP H H 8.689 0.006 1 662 303 160 TRP HE1 H 9.450 0.024 1 663 303 160 TRP C C 178.908 0.000 1 664 303 160 TRP CA C 59.965 0.000 1 665 303 160 TRP CB C 30.100 0.000 1 666 303 160 TRP N N 118.809 0.069 1 667 303 160 TRP NE1 N 129.386 0.176 1 668 304 161 SER H H 8.055 0.021 1 669 304 161 SER C C 177.836 0.000 1 670 304 161 SER CA C 62.081 0.000 1 671 304 161 SER CB C 62.843 0.000 1 672 304 161 SER N N 110.650 0.123 1 673 305 162 SER H H 7.712 0.010 1 674 305 162 SER C C 178.111 0.000 1 675 305 162 SER CA C 62.126 0.000 1 676 305 162 SER CB C 59.688 0.000 1 677 305 162 SER N N 115.301 0.015 1 678 306 163 LEU H H 8.667 0.002 1 679 306 163 LEU C C 178.698 0.000 1 680 306 163 LEU CA C 57.378 0.000 1 681 306 163 LEU CB C 41.758 0.000 1 682 306 163 LEU N N 121.078 0.104 1 683 307 164 LEU H H 8.323 0.006 1 684 307 164 LEU C C 177.659 0.000 1 685 307 164 LEU CA C 54.853 0.000 1 686 307 164 LEU CB C 42.210 0.000 1 687 307 164 LEU N N 111.174 0.129 1 688 308 165 TYR H H 8.301 0.016 1 689 308 165 TYR C C 176.876 0.000 1 690 308 165 TYR CA C 58.900 0.000 1 691 308 165 TYR CB C 39.563 0.000 1 692 308 165 TYR N N 112.663 0.094 1 693 309 166 GLY H H 8.087 0.006 1 694 309 166 GLY C C 173.303 0.000 1 695 309 166 GLY CA C 45.587 0.000 1 696 309 166 GLY N N 109.383 0.144 1 697 310 167 ASP H H 7.561 0.000 1 698 310 167 ASP C C 177.140 0.000 1 699 310 167 ASP CA C 52.481 0.000 1 700 310 167 ASP CB C 41.762 0.000 1 701 310 167 ASP N N 115.883 0.000 1 702 311 168 GLN C C 177.604 0.000 1 703 311 168 GLN CA C 54.498 0.000 1 704 312 169 SER H H 8.577 0.000 1 705 312 169 SER C C 174.923 0.000 1 706 312 169 SER CA C 59.083 0.000 1 707 312 169 SER CB C 62.710 0.000 1 708 312 169 SER N N 116.396 0.000 1 709 313 170 HIS H H 7.632 0.000 1 710 313 170 HIS C C 175.154 0.000 1 711 313 170 HIS CA C 55.502 0.000 1 712 313 170 HIS CB C 27.219 0.000 1 713 313 170 HIS N N 117.818 0.000 1 714 314 171 LYS H H 7.570 0.000 1 715 314 171 LYS C C 178.038 0.000 1 716 314 171 LYS CA C 60.775 0.000 1 717 314 171 LYS CB C 30.998 0.000 1 718 314 171 LYS N N 122.291 0.000 1 719 315 172 SER H H 8.458 0.000 1 720 315 172 SER C C 177.304 0.000 1 721 315 172 SER CA C 62.913 0.000 1 722 315 172 SER N N 115.987 0.000 1 723 316 173 HIS H H 7.929 0.000 1 724 316 173 HIS C C 178.270 0.000 1 725 316 173 HIS CA C 59.022 0.000 1 726 316 173 HIS N N 123.418 0.000 1 727 317 174 MET H H 8.004 0.000 1 728 317 174 MET C C 179.073 0.000 1 729 317 174 MET CA C 54.821 0.000 1 730 317 174 MET CB C 38.130 0.000 1 731 317 174 MET N N 115.074 0.000 1 732 318 175 GLN H H 8.713 0.024 1 733 318 175 GLN C C 177.543 0.000 1 734 318 175 GLN CA C 58.208 0.000 1 735 318 175 GLN CB C 27.421 0.000 1 736 318 175 GLN N N 120.783 0.195 1 737 319 176 SER H H 7.952 0.012 1 738 319 176 SER C C 177.149 0.000 1 739 319 176 SER CA C 60.798 0.000 1 740 319 176 SER CB C 61.794 0.000 1 741 319 176 SER N N 113.842 0.071 1 742 320 177 ILE H H 7.125 0.031 1 743 320 177 ILE C C 178.220 0.000 1 744 320 177 ILE CA C 63.746 0.000 1 745 320 177 ILE CB C 36.553 0.000 1 746 320 177 ILE N N 122.270 0.156 1 747 321 178 ILE H H 7.969 0.018 1 748 321 178 ILE C C 178.906 0.000 1 749 321 178 ILE CA C 64.985 0.000 1 750 321 178 ILE CB C 37.151 0.000 1 751 321 178 ILE N N 120.679 0.125 1 752 322 179 ASP H H 8.588 0.015 1 753 322 179 ASP C C 179.265 0.000 1 754 322 179 ASP CA C 56.690 0.000 1 755 322 179 ASP CB C 39.409 0.000 1 756 322 179 ASP N N 118.863 0.125 1 757 323 180 LYS H H 7.285 0.013 1 758 323 180 LYS C C 178.287 0.000 1 759 323 180 LYS CA C 57.085 0.000 1 760 323 180 LYS CB C 31.161 0.000 1 761 323 180 LYS N N 118.219 0.138 1 762 324 181 LEU H H 7.444 0.006 1 763 324 181 LEU C C 177.846 0.000 1 764 324 181 LEU CA C 55.098 0.000 1 765 324 181 LEU CB C 41.580 0.000 1 766 324 181 LEU N N 118.584 0.143 1 767 325 182 GLN H H 7.697 0.021 1 768 325 182 GLN C C 175.541 0.000 1 769 325 182 GLN CA C 55.296 0.000 1 770 325 182 GLN CB C 28.203 0.000 1 771 325 182 GLN N N 118.539 0.195 1 772 326 183 THR H H 7.579 0.014 1 773 326 183 THR C C 179.638 0.000 1 774 326 183 THR CA C 62.986 0.000 1 775 326 183 THR CB C 70.026 0.000 1 776 326 183 THR N N 120.422 0.166 1 stop_ save_