data_25021 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shifts of murine Roquin-1 ROQ domain (147-326), apo form ; _BMRB_accession_number 25021 _BMRB_flat_file_name bmr25021.str _Entry_type original _Submission_date 2014-06-13 _Accession_date 2014-06-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone chemical shifts of murine Roquin-1 ROQ domain (147-326), apo form' 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" 148 "13C chemical shifts" 439 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-09-26 update BMRB 'update entry citation' 2014-07-17 update author 'update chemical shifts' 2014-07-01 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 19996 'Roquin-1 ROQ domain in complex with Tnf CDE RNA' stop_ 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 published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25026077 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schlundt Andreas . . 2 Heinz Gitta A. . 3 Janowski Robert . . 4 Geerlof Arie . . 5 Stehle Ralf . . 6 Heissmeyer Vigo . . 7 Niessing Dierk . . 8 Sattler Michael . . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_name_full 'Nature structural & molecular biology' _Journal_volume 21 _Journal_issue 8 _Journal_ISSN 1545-9985 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 671 _Page_last 678 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ROQ domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ROQ $ROQ_domain_of_Roquin-1 stop_ _System_molecular_weight 20758.8 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _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 19996 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_ #################### # 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' 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_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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 'backbone chemical shifts of ROQ domain residues 147-326' loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HNCO' 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 38.907 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 179.893 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 8.112 0.013 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 8.147 0.017 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 109.381 0.181 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 120.940 0.232 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 8.387 0.005 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 1 253 208 65 LEU C C 177.357 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 CA C 52.326 0.000 1 287 218 75 SER H H 8.295 0.000 1 288 218 75 SER CA C 56.237 0.000 1 289 218 75 SER N N 117.386 0.000 1 290 219 76 ARG CA C 60.123 0.000 1 291 220 77 LYS H H 8.176 0.005 1 292 220 77 LYS CA C 59.441 0.000 1 293 220 77 LYS CB C 31.743 0.000 1 294 220 77 LYS N N 115.277 0.039 1 295 221 78 VAL CA C 65.778 0.000 1 296 222 79 LEU H H 8.229 0.000 1 297 222 79 LEU C C 178.003 0.000 1 298 222 79 LEU CA C 57.508 0.000 1 299 222 79 LEU CB C 40.641 0.000 1 300 222 79 LEU N N 121.810 0.000 1 301 223 80 VAL H H 8.430 0.002 1 302 223 80 VAL C C 178.297 0.000 1 303 223 80 VAL CA C 66.643 0.000 1 304 223 80 VAL CB C 30.189 0.000 1 305 223 80 VAL N N 116.565 0.065 1 306 224 81 LEU H H 7.712 0.000 1 307 224 81 LEU CA C 57.512 0.000 1 308 224 81 LEU N N 118.121 0.000 1 309 228 85 GLN CA C 58.183 0.000 1 310 229 86 ARG H H 6.861 0.000 1 311 229 86 ARG C C 181.444 0.000 1 312 229 86 ARG CA C 56.399 0.000 1 313 229 86 ARG N N 114.526 0.000 1 314 232 89 PRO C C 178.077 0.000 1 315 232 89 PRO CA C 65.244 0.000 1 316 232 89 PRO CB C 31.481 0.000 1 317 233 90 ARG H H 7.145 0.016 1 318 233 90 ARG C C 175.706 0.000 1 319 233 90 ARG CA C 55.862 0.000 1 320 233 90 ARG CB C 31.108 0.000 1 321 233 90 ARG N N 112.823 0.137 1 322 234 91 PHE H H 8.172 0.015 1 323 234 91 PHE C C 173.084 0.000 1 324 234 91 PHE CA C 54.032 0.000 1 325 234 91 PHE CB C 38.621 0.000 1 326 234 91 PHE N N 117.623 0.095 1 327 235 92 PRO C C 177.592 0.000 1 328 235 92 PRO CA C 63.896 0.000 1 329 235 92 PRO CB C 31.085 0.000 1 330 236 93 GLN H H 8.859 0.035 1 331 236 93 GLN C C 177.260 0.000 1 332 236 93 GLN CA C 55.679 0.000 1 333 236 93 GLN CB C 26.748 0.000 1 334 236 93 GLN N N 114.918 0.211 1 335 237 94 ALA H H 8.218 0.022 1 336 237 94 ALA C C 174.763 0.000 1 337 237 94 ALA CA C 52.977 0.000 1 338 237 94 ALA CB C 17.789 0.000 1 339 237 94 ALA N N 125.311 0.148 1 340 238 95 SER H H 7.442 0.010 1 341 238 95 SER C C 174.585 0.000 1 342 238 95 SER CA C 55.242 0.000 1 343 238 95 SER CB C 66.304 0.000 1 344 238 95 SER N N 114.205 0.148 1 345 239 96 LYS H H 8.361 0.000 1 346 239 96 LYS CA C 59.771 0.000 1 347 239 96 LYS CB C 36.345 0.000 1 348 239 96 LYS N N 123.251 0.000 1 349 240 97 THR H H 8.218 0.000 1 350 240 97 THR C C 176.249 0.000 1 351 240 97 THR CA C 66.527 0.000 1 352 240 97 THR CB C 61.772 0.000 1 353 240 97 THR N N 116.612 0.000 1 354 241 98 SER H H 7.740 0.024 1 355 241 98 SER C C 176.980 0.000 1 356 241 98 SER CA C 60.544 0.000 1 357 241 98 SER CB C 61.885 0.053 1 358 241 98 SER N N 117.908 0.113 1 359 242 99 ILE H H 8.260 0.028 1 360 242 99 ILE C C 179.628 0.000 1 361 242 99 ILE CA C 60.821 0.003 1 362 242 99 ILE CB C 32.474 0.000 1 363 242 99 ILE N N 120.259 0.217 1 364 243 100 GLY H H 8.082 0.009 1 365 243 100 GLY C C 176.791 0.000 1 366 243 100 GLY CA C 46.606 0.000 1 367 243 100 GLY N N 110.020 0.097 1 368 244 101 HIS H H 7.445 0.023 1 369 244 101 HIS C C 178.465 0.000 1 370 244 101 HIS CA C 55.892 0.000 1 371 244 101 HIS CB C 30.526 0.000 1 372 244 101 HIS N N 120.354 0.057 1 373 245 102 VAL H H 7.731 0.012 1 374 245 102 VAL C C 179.010 0.000 1 375 245 102 VAL CA C 66.307 0.000 1 376 245 102 VAL CB C 30.583 0.000 1 377 245 102 VAL N N 123.104 0.102 1 378 246 103 VAL H H 8.354 0.015 1 379 246 103 VAL C C 178.575 0.000 1 380 246 103 VAL CA C 66.863 0.000 1 381 246 103 VAL CB C 30.066 0.000 1 382 246 103 VAL N N 119.161 0.061 1 383 247 104 GLN H H 8.317 0.022 1 384 247 104 GLN C C 177.978 0.000 1 385 247 104 GLN CA C 57.417 0.000 1 386 247 104 GLN CB C 25.848 0.000 1 387 247 104 GLN N N 119.738 0.078 1 388 248 105 LEU H H 7.552 0.020 1 389 248 105 LEU C C 178.661 0.000 1 390 248 105 LEU CA C 58.625 0.000 1 391 248 105 LEU CB C 41.823 0.000 1 392 248 105 LEU N N 121.769 0.170 1 393 249 106 LEU H H 7.374 0.002 1 394 249 106 LEU C C 178.554 0.000 1 395 249 106 LEU CA C 56.077 0.000 1 396 249 106 LEU CB C 39.598 0.000 1 397 249 106 LEU N N 115.743 0.012 1 398 250 107 TYR H H 8.872 0.021 1 399 250 107 TYR C C 181.383 0.000 1 400 250 107 TYR CA C 59.738 0.000 1 401 250 107 TYR CB C 38.306 0.000 1 402 250 107 TYR N N 121.550 0.050 1 403 251 108 ARG H H 9.203 0.007 1 404 251 108 ARG C C 177.404 0.000 1 405 251 108 ARG CA C 57.967 0.000 1 406 251 108 ARG CB C 29.302 0.015 1 407 251 108 ARG N N 124.260 0.028 1 408 252 109 ALA H H 7.354 0.026 1 409 252 109 ALA C C 175.518 0.000 1 410 252 109 ALA CA C 51.249 0.000 1 411 252 109 ALA CB C 18.399 0.000 1 412 252 109 ALA N N 118.169 0.177 1 413 253 110 SER H H 7.785 0.007 1 414 253 110 SER C C 175.846 0.000 1 415 253 110 SER CA C 58.028 0.000 1 416 253 110 SER CB C 60.666 0.000 1 417 253 110 SER N N 110.249 0.071 1 418 254 111 CYS H H 7.261 0.009 1 419 254 111 CYS C C 174.366 0.000 1 420 254 111 CYS CA C 60.402 0.000 1 421 254 111 CYS CB C 26.281 0.000 1 422 254 111 CYS N N 111.520 0.088 1 423 255 112 PHE H H 8.150 0.004 1 424 255 112 PHE C C 176.487 0.000 1 425 255 112 PHE CA C 55.211 0.000 1 426 255 112 PHE CB C 39.808 0.000 1 427 255 112 PHE N N 113.623 0.062 1 428 256 113 LYS H H 9.256 0.000 1 429 256 113 LYS C C 176.800 0.000 1 430 256 113 LYS CA C 54.868 0.000 1 431 256 113 LYS CB C 32.659 0.000 1 432 256 113 LYS N N 122.077 0.000 1 433 258 115 THR C C 174.601 0.000 1 434 258 115 THR CA C 60.926 0.000 1 435 258 115 THR CB C 69.580 0.000 1 436 259 116 LYS H H 8.500 0.000 1 437 259 116 LYS C C 176.170 0.000 1 438 259 116 LYS CA C 55.838 0.000 1 439 259 116 LYS CB C 32.057 0.000 1 440 259 116 LYS N N 125.342 0.000 1 441 260 117 ARG H H 8.720 0.000 1 442 260 117 ARG CA C 54.424 0.000 1 443 260 117 ARG N N 124.970 0.000 1 444 263 120 ASP CA C 51.038 0.000 1 445 264 121 SER CA C 58.063 0.000 1 446 264 121 SER CB C 60.773 0.000 1 447 265 122 SER CA C 58.038 0.000 1 448 265 122 SER CB C 60.504 0.000 1 449 266 123 LEU CA C 52.502 0.000 1 450 267 124 MET C C 176.298 0.000 1 451 267 124 MET CA C 54.124 0.000 1 452 268 125 GLN H H 8.339 0.000 1 453 268 125 GLN CA C 52.591 0.000 1 454 268 125 GLN N N 118.422 0.000 1 455 269 126 LEU C C 178.313 0.000 1 456 269 126 LEU CA C 54.562 0.000 1 457 269 126 LEU CB C 42.501 0.000 1 458 270 127 LYS H H 8.554 0.006 1 459 270 127 LYS C C 178.028 0.000 1 460 270 127 LYS CA C 57.709 0.000 1 461 270 127 LYS CB C 31.716 0.000 1 462 270 127 LYS N N 126.651 0.075 1 463 271 128 GLU H H 9.267 0.008 1 464 271 128 GLU C C 178.264 0.000 1 465 271 128 GLU CA C 60.561 0.000 1 466 271 128 GLU CB C 28.232 0.000 1 467 271 128 GLU N N 122.667 0.031 1 468 272 129 GLU H H 9.707 0.016 1 469 272 129 GLU C C 177.125 0.000 1 470 272 129 GLU CA C 57.302 0.000 1 471 272 129 GLU CB C 26.901 0.000 1 472 272 129 GLU N N 116.393 0.116 1 473 273 130 PHE H H 7.837 0.018 1 474 273 130 PHE C C 173.991 0.000 1 475 273 130 PHE CA C 54.163 0.000 1 476 273 130 PHE CB C 38.207 0.000 1 477 273 130 PHE N N 118.962 0.083 1 478 274 131 ARG H H 6.998 0.016 1 479 274 131 ARG C C 175.436 0.000 1 480 274 131 ARG CA C 56.254 0.000 1 481 274 131 ARG CB C 27.824 0.000 1 482 274 131 ARG N N 114.502 0.068 1 483 275 132 THR H H 7.314 0.008 1 484 275 132 THR C C 174.319 0.000 1 485 275 132 THR CA C 59.043 0.000 1 486 275 132 THR CB C 71.473 0.000 1 487 275 132 THR N N 107.707 0.149 1 488 276 133 TYR H H 9.396 0.005 1 489 276 133 TYR C C 176.621 0.000 1 490 276 133 TYR CA C 62.321 0.000 1 491 276 133 TYR CB C 36.521 0.000 1 492 276 133 TYR N N 123.802 0.094 1 493 277 134 GLU H H 9.109 0.014 1 494 277 134 GLU C C 179.444 0.000 1 495 277 134 GLU CA C 59.796 0.000 1 496 277 134 GLU CB C 27.813 0.000 1 497 277 134 GLU N N 116.690 0.053 1 498 278 135 ALA H H 7.284 0.006 1 499 278 135 ALA C C 180.455 0.000 1 500 278 135 ALA CA C 54.223 0.000 1 501 278 135 ALA CB C 19.178 0.000 1 502 278 135 ALA N N 119.624 0.078 1 503 279 136 LEU H H 8.210 0.013 1 504 279 136 LEU C C 179.076 0.000 1 505 279 136 LEU CA C 57.758 0.000 1 506 279 136 LEU CB C 41.055 0.000 1 507 279 136 LEU N N 120.356 0.140 1 508 280 137 ARG H H 9.101 0.021 1 509 280 137 ARG C C 178.257 0.000 1 510 280 137 ARG CA C 55.740 0.000 1 511 280 137 ARG CB C 27.202 0.000 1 512 280 137 ARG N N 116.743 0.228 1 513 281 138 ARG H H 7.587 0.013 1 514 281 138 ARG C C 178.433 0.000 1 515 281 138 ARG CA C 59.978 0.000 1 516 281 138 ARG CB C 28.235 0.000 1 517 281 138 ARG N N 119.249 0.187 1 518 282 139 GLU H H 7.369 0.019 1 519 282 139 GLU C C 179.610 0.000 1 520 282 139 GLU CA C 58.200 0.000 1 521 282 139 GLU CB C 27.912 0.000 1 522 282 139 GLU N N 118.874 0.112 1 523 283 140 HIS H H 8.079 0.017 1 524 283 140 HIS C C 175.823 0.000 1 525 283 140 HIS CA C 59.456 0.000 1 526 283 140 HIS CB C 27.764 0.000 1 527 283 140 HIS N N 118.556 0.132 1 528 284 141 ASP H H 8.937 0.004 1 529 284 141 ASP C C 177.861 0.000 1 530 284 141 ASP CA C 56.635 0.000 1 531 284 141 ASP CB C 39.285 0.000 1 532 284 141 ASP N N 119.130 0.057 1 533 285 142 SER H H 8.194 0.003 1 534 285 142 SER C C 176.145 0.000 1 535 285 142 SER CA C 60.564 0.000 1 536 285 142 SER CB C 62.086 0.000 1 537 285 142 SER N N 112.662 0.020 1 538 286 143 GLN H H 7.777 0.033 1 539 286 143 GLN C C 177.763 0.000 1 540 286 143 GLN CA C 57.090 0.000 1 541 286 143 GLN CB C 26.050 0.000 1 542 286 143 GLN N N 119.327 0.207 1 543 287 144 ILE H H 7.264 0.003 1 544 287 144 ILE C C 177.371 0.000 1 545 287 144 ILE CA C 65.669 0.000 1 546 287 144 ILE CB C 35.540 0.000 1 547 287 144 ILE N N 118.261 0.012 1 548 288 145 VAL H H 7.491 0.029 1 549 288 145 VAL C C 178.447 0.000 1 550 288 145 VAL CA C 65.065 0.000 1 551 288 145 VAL CB C 29.284 0.000 1 552 288 145 VAL N N 119.461 0.183 1 553 289 146 GLN H H 8.424 0.011 1 554 289 146 GLN C C 179.468 0.000 1 555 289 146 GLN CA C 59.221 0.000 1 556 289 146 GLN CB C 27.753 0.000 1 557 289 146 GLN N N 119.798 0.142 1 558 290 147 ILE H H 8.167 0.015 1 559 290 147 ILE C C 178.387 0.000 1 560 290 147 ILE CA C 65.304 0.000 1 561 290 147 ILE CB C 36.632 0.000 1 562 290 147 ILE N N 121.337 0.170 1 563 291 148 ALA H H 8.162 0.017 1 564 291 148 ALA C C 180.008 0.000 1 565 291 148 ALA CA C 55.165 0.000 1 566 291 148 ALA CB C 17.462 0.000 1 567 291 148 ALA N N 121.872 0.164 1 568 292 149 MET H H 8.727 0.005 1 569 292 149 MET C C 181.570 0.000 1 570 292 149 MET CA C 58.717 0.000 1 571 292 149 MET CB C 31.463 0.000 1 572 292 149 MET N N 117.137 0.065 1 573 293 150 GLU H H 8.452 0.016 1 574 293 150 GLU C C 178.402 0.000 1 575 293 150 GLU CA C 58.771 0.000 1 576 293 150 GLU CB C 28.387 0.000 1 577 293 150 GLU N N 122.257 0.121 1 578 294 151 ALA H H 7.722 0.028 1 579 294 151 ALA C C 177.352 0.000 1 580 294 151 ALA CA C 51.362 0.000 1 581 294 151 ALA CB C 17.707 0.000 1 582 294 151 ALA N N 119.527 0.155 1 583 295 152 GLY H H 7.755 0.008 1 584 295 152 GLY C C 174.680 0.000 1 585 295 152 GLY CA C 45.169 0.000 1 586 295 152 GLY N N 107.247 0.156 1 587 296 153 LEU H H 8.189 0.018 1 588 296 153 LEU C C 176.301 0.000 1 589 296 153 LEU CA C 53.363 0.000 1 590 296 153 LEU CB C 40.960 0.000 1 591 296 153 LEU N N 120.360 0.211 1 592 297 154 ARG H H 8.455 0.019 1 593 297 154 ARG C C 174.335 0.000 1 594 297 154 ARG CA C 54.621 0.000 1 595 297 154 ARG CB C 28.904 0.000 1 596 297 154 ARG N N 125.780 0.171 1 597 298 155 ILE H H 8.408 0.018 1 598 298 155 ILE C C 175.220 0.000 1 599 298 155 ILE CA C 60.341 0.000 1 600 298 155 ILE CB C 39.032 0.000 1 601 298 155 ILE N N 127.166 0.177 1 602 299 156 ALA H H 8.585 0.011 1 603 299 156 ALA C C 177.658 0.000 1 604 299 156 ALA CA C 50.602 0.000 1 605 299 156 ALA CB C 17.576 0.000 1 606 299 156 ALA N N 130.580 0.149 1 607 300 157 PRO C C 177.588 0.000 1 608 300 157 PRO CA C 66.586 0.000 1 609 300 157 PRO CB C 31.219 0.000 1 610 301 158 ASP H H 8.893 0.016 1 611 301 158 ASP C C 178.498 0.000 1 612 301 158 ASP CA C 56.522 0.000 1 613 301 158 ASP CB C 38.173 0.000 1 614 301 158 ASP N N 115.253 0.136 1 615 302 159 GLN H H 7.358 0.009 1 616 302 159 GLN C C 178.991 0.000 1 617 302 159 GLN CA C 57.445 0.000 1 618 302 159 GLN CB C 26.868 0.000 1 619 302 159 GLN N N 122.872 0.177 1 620 303 160 TRP H H 8.689 0.006 1 621 303 160 TRP HE1 H 9.450 0.024 1 622 303 160 TRP C C 178.908 0.000 1 623 303 160 TRP CA C 59.965 0.000 1 624 303 160 TRP CB C 30.100 0.000 1 625 303 160 TRP N N 118.809 0.069 1 626 303 160 TRP NE1 N 129.386 0.176 1 627 304 161 SER H H 8.055 0.021 1 628 304 161 SER C C 177.836 0.000 1 629 304 161 SER CA C 62.081 0.000 1 630 304 161 SER CB C 62.843 0.000 1 631 304 161 SER N N 110.650 0.123 1 632 305 162 SER H H 7.712 0.010 1 633 305 162 SER C C 178.111 0.000 1 634 305 162 SER CA C 62.126 0.000 1 635 305 162 SER CB C 59.688 0.000 1 636 305 162 SER N N 115.301 0.015 1 637 306 163 LEU H H 8.667 0.002 1 638 306 163 LEU C C 178.698 0.000 1 639 306 163 LEU CA C 57.378 0.000 1 640 306 163 LEU CB C 41.758 0.000 1 641 306 163 LEU N N 121.078 0.104 1 642 307 164 LEU H H 8.323 0.006 1 643 307 164 LEU C C 177.659 0.000 1 644 307 164 LEU CA C 54.853 0.000 1 645 307 164 LEU CB C 42.210 0.000 1 646 307 164 LEU N N 111.174 0.129 1 647 308 165 TYR H H 8.301 0.016 1 648 308 165 TYR C C 176.876 0.000 1 649 308 165 TYR CA C 58.900 0.000 1 650 308 165 TYR CB C 39.563 0.000 1 651 308 165 TYR N N 112.663 0.094 1 652 309 166 GLY H H 8.087 0.006 1 653 309 166 GLY C C 173.303 0.000 1 654 309 166 GLY CA C 45.587 0.000 1 655 309 166 GLY N N 109.383 0.144 1 656 310 167 ASP H H 7.561 0.000 1 657 310 167 ASP C C 177.140 0.000 1 658 310 167 ASP CA C 52.481 0.000 1 659 310 167 ASP CB C 41.762 0.000 1 660 310 167 ASP N N 115.883 0.000 1 661 311 168 GLN C C 177.604 0.000 1 662 311 168 GLN CA C 54.498 0.000 1 663 312 169 SER H H 8.577 0.000 1 664 312 169 SER C C 174.923 0.000 1 665 312 169 SER CA C 59.083 0.000 1 666 312 169 SER CB C 62.710 0.000 1 667 312 169 SER N N 116.396 0.000 1 668 313 170 HIS H H 7.632 0.000 1 669 313 170 HIS C C 175.154 0.000 1 670 313 170 HIS CA C 55.502 0.000 1 671 313 170 HIS CB C 27.219 0.000 1 672 313 170 HIS N N 117.818 0.000 1 673 314 171 LYS H H 7.570 0.000 1 674 314 171 LYS C C 178.038 0.000 1 675 314 171 LYS CA C 60.775 0.000 1 676 314 171 LYS CB C 30.998 0.000 1 677 314 171 LYS N N 122.291 0.000 1 678 315 172 SER H H 8.458 0.000 1 679 315 172 SER C C 177.304 0.000 1 680 315 172 SER CA C 62.913 0.000 1 681 315 172 SER N N 115.987 0.000 1 682 316 173 HIS H H 7.929 0.000 1 683 316 173 HIS C C 178.270 0.000 1 684 316 173 HIS CA C 59.022 0.000 1 685 316 173 HIS N N 123.418 0.000 1 686 317 174 MET H H 8.004 0.000 1 687 317 174 MET C C 179.073 0.000 1 688 317 174 MET CA C 54.821 0.000 1 689 317 174 MET CB C 38.130 0.000 1 690 317 174 MET N N 115.074 0.000 1 691 318 175 GLN H H 8.713 0.024 1 692 318 175 GLN C C 177.543 0.000 1 693 318 175 GLN CA C 58.208 0.000 1 694 318 175 GLN CB C 27.421 0.000 1 695 318 175 GLN N N 120.783 0.195 1 696 319 176 SER H H 7.952 0.012 1 697 319 176 SER C C 177.149 0.000 1 698 319 176 SER CA C 60.798 0.000 1 699 319 176 SER CB C 61.794 0.000 1 700 319 176 SER N N 113.842 0.071 1 701 320 177 ILE H H 7.125 0.031 1 702 320 177 ILE C C 178.220 0.000 1 703 320 177 ILE CA C 63.746 0.000 1 704 320 177 ILE CB C 36.553 0.000 1 705 320 177 ILE N N 122.270 0.156 1 706 321 178 ILE H H 7.969 0.018 1 707 321 178 ILE C C 178.906 0.000 1 708 321 178 ILE CA C 64.985 0.000 1 709 321 178 ILE CB C 37.151 0.000 1 710 321 178 ILE N N 120.679 0.125 1 711 322 179 ASP H H 8.588 0.015 1 712 322 179 ASP C C 179.265 0.000 1 713 322 179 ASP CA C 56.690 0.000 1 714 322 179 ASP CB C 39.409 0.000 1 715 322 179 ASP N N 118.863 0.125 1 716 323 180 LYS H H 7.285 0.013 1 717 323 180 LYS C C 178.287 0.000 1 718 323 180 LYS CA C 57.085 0.000 1 719 323 180 LYS CB C 31.161 0.000 1 720 323 180 LYS N N 118.219 0.138 1 721 324 181 LEU H H 7.444 0.006 1 722 324 181 LEU C C 177.846 0.000 1 723 324 181 LEU CA C 55.098 0.000 1 724 324 181 LEU CB C 41.580 0.000 1 725 324 181 LEU N N 118.584 0.143 1 726 325 182 GLN H H 7.697 0.021 1 727 325 182 GLN C C 175.541 0.000 1 728 325 182 GLN CA C 55.296 0.000 1 729 325 182 GLN CB C 28.203 0.000 1 730 325 182 GLN N N 118.539 0.195 1 731 326 183 THR H H 7.579 0.014 1 732 326 183 THR C C 179.638 0.000 1 733 326 183 THR CA C 62.986 0.000 1 734 326 183 THR CB C 70.026 0.000 1 735 326 183 THR N N 120.422 0.166 1 stop_ save_