data_25410 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignments of a construct of the Sigma-1 receptor spanning residues 35-223 ; _BMRB_accession_number 25410 _BMRB_flat_file_name bmr25410.str _Entry_type original _Submission_date 2015-01-04 _Accession_date 2015-01-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ortega-Roldan 'Jose L.' . . 2 Schnell Jason . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 168 "13C chemical shifts" 429 "15N chemical shifts" 169 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-06-30 original BMRB . stop_ _Original_release_date 2016-06-30 save_ ############################# # Citation for this entry # ############################# save_S1ch _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR studies reveal the location of the second transmembrane domain of the human sigma-1 receptor ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25647032 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ortega-Roldan 'Jose Luis' . . 2 Ossa Felipe . . 3 Amin Nader . . 4 Schnell Jason . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 589 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 659 _Page_last 665 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Sigma-1 receptor delta 35 construct' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Sigma-1 receptor delta 35 construct' $Sigma-1_Receptor_delta35 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Sigma-1_Receptor_delta35 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Sigma-1_Receptor_delta35 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 275 _Mol_residue_sequence ; MNHKVHHHHHHIEGRHMFVF QREEIAQLARQYAGLDHELA FSRLIVELRRLHPGHVLPDE ELQWVFVNAGGWMGAMALLH ASLSEYVLLFGTALGSRGHS GRYWAEISDTIISGTFHQWR EGTTKSEVFYPGETVVHGPG EATAVEWGPNTWMVEYGRGV IPSTLAFALADTVFSTQDFL TLFYTLRSYARGLRLELTTY LFGQDPGPGEATAVEWGPNT WMVEYGRGVIPSTLAFALAD TVFSTQDFLTLFYTLRSYAR GLRLELTTYLFGQDP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 18 MET 2 19 ASN 3 20 HIS 4 21 LYS 5 22 VAL 6 23 HIS 7 24 HIS 8 25 HIS 9 26 HIS 10 27 HIS 11 28 HIS 12 29 ILE 13 30 GLU 14 31 GLY 15 32 ARG 16 33 HIS 17 34 MET 18 35 PHE 19 36 VAL 20 37 PHE 21 38 GLN 22 39 ARG 23 40 GLU 24 41 GLU 25 42 ILE 26 43 ALA 27 44 GLN 28 45 LEU 29 46 ALA 30 47 ARG 31 48 GLN 32 49 TYR 33 50 ALA 34 51 GLY 35 52 LEU 36 53 ASP 37 54 HIS 38 55 GLU 39 56 LEU 40 57 ALA 41 58 PHE 42 59 SER 43 60 ARG 44 61 LEU 45 62 ILE 46 63 VAL 47 64 GLU 48 65 LEU 49 66 ARG 50 67 ARG 51 68 LEU 52 69 HIS 53 70 PRO 54 71 GLY 55 72 HIS 56 73 VAL 57 74 LEU 58 75 PRO 59 76 ASP 60 77 GLU 61 78 GLU 62 79 LEU 63 80 GLN 64 81 TRP 65 82 VAL 66 83 PHE 67 84 VAL 68 85 ASN 69 86 ALA 70 87 GLY 71 88 GLY 72 89 TRP 73 90 MET 74 91 GLY 75 92 ALA 76 93 MET 77 94 ALA 78 95 LEU 79 96 LEU 80 97 HIS 81 98 ALA 82 99 SER 83 100 LEU 84 101 SER 85 102 GLU 86 103 TYR 87 104 VAL 88 105 LEU 89 106 LEU 90 107 PHE 91 108 GLY 92 109 THR 93 110 ALA 94 111 LEU 95 112 GLY 96 113 SER 97 114 ARG 98 115 GLY 99 116 HIS 100 117 SER 101 118 GLY 102 119 ARG 103 120 TYR 104 121 TRP 105 122 ALA 106 123 GLU 107 124 ILE 108 125 SER 109 126 ASP 110 127 THR 111 128 ILE 112 129 ILE 113 130 SER 114 131 GLY 115 132 THR 116 133 PHE 117 134 HIS 118 135 GLN 119 136 TRP 120 137 ARG 121 138 GLU 122 139 GLY 123 140 THR 124 141 THR 125 142 LYS 126 143 SER 127 144 GLU 128 145 VAL 129 146 PHE 130 147 TYR 131 148 PRO 132 149 GLY 133 150 GLU 134 151 THR 135 152 VAL 136 153 VAL 137 154 HIS 138 155 GLY 139 156 PRO 140 157 GLY 141 158 GLU 142 159 ALA 143 160 THR 144 161 ALA 145 162 VAL 146 163 GLU 147 164 TRP 148 165 GLY 149 166 PRO 150 167 ASN 151 168 THR 152 169 TRP 153 170 MET 154 171 VAL 155 172 GLU 156 173 TYR 157 174 GLY 158 175 ARG 159 176 GLY 160 177 VAL 161 178 ILE 162 179 PRO 163 180 SER 164 181 THR 165 182 LEU 166 183 ALA 167 184 PHE 168 185 ALA 169 186 LEU 170 187 ALA 171 188 ASP 172 189 THR 173 190 VAL 174 191 PHE 175 192 SER 176 193 THR 177 194 GLN 178 195 ASP 179 196 PHE 180 197 LEU 181 198 THR 182 199 LEU 183 200 PHE 184 201 TYR 185 202 THR 186 203 LEU 187 204 ARG 188 205 SER 189 206 TYR 190 207 ALA 191 208 ARG 192 209 GLY 193 210 LEU 194 211 ARG 195 212 LEU 196 213 GLU 197 214 LEU 198 215 THR 199 216 THR 200 217 TYR 201 218 LEU 202 219 PHE 203 220 GLY 204 221 GLN 205 222 ASP 206 223 PRO 207 224 GLY 208 225 PRO 209 226 GLY 210 227 GLU 211 228 ALA 212 229 THR 213 230 ALA 214 231 VAL 215 232 GLU 216 233 TRP 217 234 GLY 218 235 PRO 219 236 ASN 220 237 THR 221 238 TRP 222 239 MET 223 240 VAL 224 241 GLU 225 242 TYR 226 243 GLY 227 244 ARG 228 245 GLY 229 246 VAL 230 247 ILE 231 248 PRO 232 249 SER 233 250 THR 234 251 LEU 235 252 ALA 236 253 PHE 237 254 ALA 238 255 LEU 239 256 ALA 240 257 ASP 241 258 THR 242 259 VAL 243 260 PHE 244 261 SER 245 262 THR 246 263 GLN 247 264 ASP 248 265 PHE 249 266 LEU 250 267 THR 251 268 LEU 252 269 PHE 253 270 TYR 254 271 THR 255 272 LEU 256 273 ARG 257 274 SER 258 275 TYR 259 276 ALA 260 277 ARG 261 278 GLY 262 279 LEU 263 280 ARG 264 281 LEU 265 282 GLU 266 283 LEU 267 284 THR 268 285 THR 269 286 TYR 270 287 LEU 271 288 PHE 272 289 GLY 273 290 GLN 274 291 ASP 275 292 PRO 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 $Sigma-1_Receptor_delta35 Human 9606 Eukaryota Metazoa Homo sapiens 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 $Sigma-1_Receptor_delta35 'recombinant technology' . Escherichia coli . pCold-I stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_S1chtriple _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Sigma-1_Receptor_delta35 0.27 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_S1chdoble _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Sigma-1_Receptor_delta35 0.27 mM '[U-100% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $S1chtriple save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $S1chtriple save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $S1chtriple save_ save_3D_1H-15N_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $S1chdoble save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $S1chdoble save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $S1chtriple save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $S1chtriple save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 6.5 . pH pressure 1 . atm temperature 273 . K 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 internal indirect . . . 0 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0 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 '3D HNCA' '3D HNCACB' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D HNCO' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $S1chtriple $S1chdoble stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Sigma-1 receptor delta 35 construct' _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 39 22 ARG H H 8.593 0.0 1 2 39 22 ARG N N 123.902 0.0 1 3 40 23 GLU H H 8.977 0.0 1 4 40 23 GLU N N 120.479 0.0 1 5 41 24 GLU H H 7.736 0.0 1 6 41 24 GLU C C 176.494 0.0 1 7 41 24 GLU CA C 56.002 0.0 1 8 41 24 GLU CB C 26.188 0.0 1 9 41 24 GLU N N 119.823 0.0 1 10 42 25 ILE H H 7.562 0.0 1 11 42 25 ILE C C 174.624 0.0 1 12 42 25 ILE CA C 61.282 0.0 1 13 42 25 ILE CB C 33.7 0.0 1 14 42 25 ILE N N 119.915 0.0 1 15 43 26 ALA H H 8.024 0.0 1 16 43 26 ALA C C 177.204 0.0 1 17 43 26 ALA CA C 52.476 0.0 1 18 43 26 ALA CB C 14.967 0.0 1 19 43 26 ALA N N 122.756 0.0 1 20 44 27 GLN H H 7.665 0.0 1 21 44 27 GLN C C 176.145 0.0 1 22 44 27 GLN CA C 40.473 0.0 1 23 44 27 GLN CB C 24.94 0.0 1 24 44 27 GLN N N 117.149 0.0 1 25 45 28 LEU H H 7.663 0.0 1 26 45 28 LEU C C 176.236 0.0 1 27 45 28 LEU CA C 55.072 0.0 1 28 45 28 LEU CB C 38.37 0.0 1 29 45 28 LEU N N 121.641 0.0 1 30 46 29 ALA H H 8.186 0.0 1 31 46 29 ALA C C 176.71 0.0 1 32 46 29 ALA CA C 52.38 0.0 1 33 46 29 ALA CB C 14.834 0.0 1 34 46 29 ALA N N 120.927 0.0 1 35 47 30 ARG H H 7.751 0.0 1 36 47 30 ARG C C 176.123 0.0 1 37 47 30 ARG CA C 56.374 0.0 1 38 47 30 ARG CB C 26.697 0.0 1 39 47 30 ARG N N 117.045 0.0 1 40 48 31 GLN H H 7.796 0.0 1 41 48 31 GLN C C 175.215 0.0 1 42 48 31 GLN CA C 55.383 0.0 1 43 48 31 GLN CB C 25.478 0.0 1 44 48 31 GLN N N 118.78 0.0 1 45 49 32 TYR H H 7.893 0.0 1 46 49 32 TYR CA C 57.142 0.0 1 47 49 32 TYR CB C 35.617 0.0 1 48 49 32 TYR N N 118.067 0.0 1 49 50 33 ALA H H 7.638 0.0 1 50 50 33 ALA C C 174.954 0.0 1 51 50 33 ALA CA C 50.54 0.0 1 52 50 33 ALA CB C 16.126 0.0 1 53 50 33 ALA N N 120.566 0.0 1 54 51 34 GLY H H 7.734 0.0 1 55 51 34 GLY C C 171.829 0.0 1 56 51 34 GLY CA C 42.537 0.0 1 57 51 34 GLY N N 106.099 0.0 1 58 52 35 LEU H H 7.468 0.0 1 59 52 35 LEU CA C 52.358 0.0 1 60 52 35 LEU CB C 39.406 0.0 1 61 52 35 LEU N N 121.229 0.0 1 62 53 36 ASP H H 8.07 0.0 1 63 53 36 ASP CA C 51.064 0.0 1 64 53 36 ASP CB C 38.065 0.0 1 65 53 36 ASP N N 121.144 0.0 1 66 55 38 GLU H H 7.875 0.0 1 67 55 38 GLU C C 175.656 0.0 1 68 55 38 GLU CA C 56.015 0.0 1 69 55 38 GLU CB C 26.11 0.0 1 70 55 38 GLU N N 120.301 0.0 1 71 56 39 LEU H H 7.968 0.0 1 72 56 39 LEU C C 175.62 0.0 1 73 56 39 LEU CA C 53.653 0.0 1 74 56 39 LEU CB C 38.412 0.0 1 75 56 39 LEU N N 122.741 0.0 1 76 57 40 ALA H H 7.879 0.0 1 77 57 40 ALA C C 176.117 0.0 1 78 57 40 ALA CA C 51.311 0.0 1 79 57 40 ALA CB C 15.551 0.0 1 80 57 40 ALA N N 122.967 0.0 1 81 58 41 PHE H H 8.365 0.0 1 82 58 41 PHE C C 174.624 0.0 1 83 58 41 PHE CA C 58.18 0.0 1 84 58 41 PHE CB C 36.03 0.0 1 85 58 41 PHE N N 119.124 0.0 1 86 59 42 SER H H 8.187 0.0 1 87 59 42 SER C C 173.262 0.0 1 88 59 42 SER CA C 59.009 0.0 1 89 59 42 SER N N 114.515 0.0 1 90 60 43 ARG C C 175.682 0.0 1 91 61 44 LEU H H 7.782 0.0 1 92 61 44 LEU C C 175.524 0.0 1 93 61 44 LEU CA C 55.42 0.0 1 94 61 44 LEU CB C 38.011 0.0 1 95 61 44 LEU N N 120.863 0.0 1 96 62 45 ILE H H 7.635 0.0 1 97 62 45 ILE C C 174.981 0.0 1 98 62 45 ILE CA C 61.268 0.0 1 99 62 45 ILE CB C 33.149 0.0 1 100 62 45 ILE N N 117.826 0.0 1 101 63 46 VAL H H 7.302 0.0 1 102 63 46 VAL C C 176.224 0.0 1 103 63 46 VAL CA C 63.603 0.0 1 104 63 46 VAL CB C 28.437 0.0 1 105 63 46 VAL N N 119.918 0.0 1 106 64 47 GLU H H 7.622 0.0 1 107 64 47 GLU C C 176.807 0.0 1 108 64 47 GLU CA C 55.355 0.0 1 109 64 47 GLU CB C 25.512 0.0 1 110 64 47 GLU N N 119.204 0.0 1 111 65 48 LEU H H 8.166 0.0 1 112 65 48 LEU C C 175.137 0.0 1 113 65 48 LEU CA C 54.843 0.0 1 114 65 48 LEU CB C 37.336 0.0 1 115 65 48 LEU N N 119.897 0.0 1 116 66 49 ARG H H 7.817 0.0 1 117 66 49 ARG C C 175.341 0.0 1 118 66 49 ARG CA C 55.799 0.0 1 119 66 49 ARG CB C 26.635 0.0 1 120 66 49 ARG N N 117.259 0.0 1 121 67 50 ARG H H 7.419 0.0 1 122 67 50 ARG C C 174.804 0.0 1 123 67 50 ARG CA C 54.871 0.0 1 124 67 50 ARG CB C 27.184 0.0 1 125 67 50 ARG N N 118.301 0.0 1 126 68 51 LEU H H 7.404 0.0 1 127 68 51 LEU C C 173.557 0.0 1 128 68 51 LEU CA C 52.69 0.0 1 129 68 51 LEU CB C 39.286 0.0 1 130 68 51 LEU N N 118.942 0.0 1 131 69 52 HIS H H 7.687 0.0 1 132 69 52 HIS CA C 51.549 0.0 1 133 69 52 HIS CB C 27.317 0.0 1 134 69 52 HIS N N 118.53 0.0 1 135 70 53 PRO C C 174.921 0.0 1 136 70 53 PRO CA C 61.307 0.0 1 137 71 54 GLY H H 8.674 0.0 1 138 71 54 GLY C C 170.638 0.0 1 139 71 54 GLY CA C 42.321 0.0 1 140 71 54 GLY N N 109.32 0.0 1 141 72 55 HIS H H 8.01 0.0 1 142 72 55 HIS CA C 39.916 0.0 1 143 72 55 HIS N N 119.893 0.0 1 144 73 56 VAL H H 8.013 0.0 1 145 73 56 VAL N N 120.318 0.0 1 146 74 57 LEU H H 7.975 0.0 1 147 74 57 LEU N N 123.458 0.0 1 148 75 58 PRO C C 174.117 0.0 1 149 75 58 PRO CA C 60.024 0.0 1 150 75 58 PRO CB C 28.339 0.0 1 151 76 59 ASP H H 8.312 0.0 1 152 76 59 ASP C C 175.142 0.0 1 153 76 59 ASP CA C 53.67 0.0 1 154 76 59 ASP CB C 37.856 0.0 1 155 76 59 ASP N N 121.762 0.0 1 156 77 60 GLU H H 8.592 0.0 1 157 77 60 GLU CA C 56.024 0.0 1 158 77 60 GLU N N 119.905 0.0 1 159 78 61 GLU H H 8.088 0.0 1 160 78 61 GLU C C 173.48 0.0 1 161 78 61 GLU CA C 55.799 0.0 1 162 78 61 GLU CB C 25.273 0.0 1 163 78 61 GLU N N 121.216 0.0 1 164 79 62 LEU H H 7.881 0.0 1 165 79 62 LEU C C 174.72 0.0 1 166 79 62 LEU CA C 54.194 0.0 1 167 79 62 LEU CB C 43.104 0.0 1 168 79 62 LEU N N 121.761 0.0 1 169 80 63 GLN H H 7.968 0.0 1 170 80 63 GLN C C 176.987 0.0 1 171 80 63 GLN CA C 54.563 0.0 1 172 80 63 GLN CB C 28.947 0.0 1 173 80 63 GLN N N 121.495 0.0 1 174 81 64 TRP H H 8.003 0.0 1 175 81 64 TRP C C 175.4 0.0 1 176 81 64 TRP CA C 56.024 0.0 1 177 81 64 TRP CB C 24.984 0.0 1 178 81 64 TRP N N 118.404 0.0 1 179 82 65 VAL H H 7.777 0.0 1 180 82 65 VAL C C 174.825 0.0 1 181 82 65 VAL CA C 62.987 0.0 1 182 82 65 VAL N N 118.882 0.0 1 183 83 66 PHE H H 7.545 0.0 1 184 83 66 PHE CA C 57.785 0.0 1 185 83 66 PHE N N 122.026 0.0 1 186 84 67 VAL H H 7.676 0.0 1 187 84 67 VAL C C 175.903 0.0 1 188 84 67 VAL CA C 62.969 0.0 1 189 84 67 VAL N N 119.877 0.0 1 190 85 68 ASN H H 7.774 0.0 1 191 85 68 ASN C C 172.911 0.0 1 192 85 68 ASN CB C 36.058 0.0 1 193 85 68 ASN N N 116.986 0.0 1 194 86 69 ALA H H 7.795 0.0 1 195 86 69 ALA C C 175.144 0.0 1 196 86 69 ALA CA C 50.759 0.0 1 197 86 69 ALA CB C 15.604 0.0 1 198 86 69 ALA N N 122.558 0.0 1 199 87 70 GLY H H 7.842 0.0 1 200 87 70 GLY C C 173.37 0.0 1 201 87 70 GLY CA C 43.168 0.0 1 202 87 70 GLY N N 105.498 0.0 1 203 88 71 GLY H H 7.915 0.0 1 204 88 71 GLY C C 172.291 0.0 1 205 88 71 GLY CA C 42.514 0.0 1 206 88 71 GLY N N 109.89 0.0 1 207 89 72 TRP H H 8.095 0.0 1 208 89 72 TRP C C 175.393 0.0 1 209 89 72 TRP CA C 56.809 0.0 1 210 89 72 TRP CB C 26.653 0.0 1 211 89 72 TRP N N 122.689 0.0 1 212 90 73 MET H H 8.178 0.0 1 213 90 73 MET C C 176.511 0.0 1 214 90 73 MET CA C 55.416 0.0 1 215 90 73 MET N N 118.777 0.0 1 216 91 74 GLY H H 7.789 0.0 1 217 91 74 GLY C C 173.764 0.0 1 218 91 74 GLY CA C 43.692 0.0 1 219 91 74 GLY N N 109.016 0.0 1 220 92 75 ALA H H 7.857 0.0 1 221 92 75 ALA C C 176.708 0.0 1 222 92 75 ALA CA C 51.919 0.0 1 223 92 75 ALA CB C 14.959 0.0 1 224 92 75 ALA N N 124.826 0.0 1 225 93 76 MET H H 7.996 0.0 1 226 93 76 MET C C 175.568 0.0 1 227 93 76 MET CA C 55.406 0.0 1 228 93 76 MET CB C 25.564 0.0 1 229 93 76 MET N N 116.995 0.0 1 230 94 77 ALA H H 7.88 0.0 1 231 94 77 ALA C C 177.89 0.0 1 232 94 77 ALA CA C 52.315 0.0 1 233 94 77 ALA CB C 14.734 0.0 1 234 94 77 ALA N N 122.324 0.0 1 235 95 78 LEU H H 7.626 0.0 1 236 95 78 LEU C C 176.028 0.0 1 237 95 78 LEU CA C 54.515 0.0 1 238 95 78 LEU CB C 38.577 0.0 1 239 95 78 LEU N N 120.315 0.0 1 240 96 79 LEU H H 8.016 0.0 1 241 96 79 LEU C C 175.79 0.0 1 242 96 79 LEU CA C 55.037 0.0 1 243 96 79 LEU CB C 38.015 0.0 1 244 96 79 LEU N N 114.893 0.0 1 245 97 80 HIS C C 174.594 0.0 1 246 97 80 HIS CA C 56.637 0.0 1 247 97 80 HIS CB C 27.853 0.0 1 248 97 80 HIS N N 119.008 0.0 1 249 98 81 ALA H H 7.941 0.0 1 250 98 81 ALA C C 177.386 0.0 1 251 98 81 ALA CA C 51.907 0.0 1 252 98 81 ALA CB C 15.53 0.0 1 253 98 81 ALA N N 122.261 0.0 1 254 99 82 SER H H 7.934 0.0 1 255 99 82 SER C C 173.215 0.0 1 256 99 82 SER CA C 58.369 0.0 1 257 99 82 SER CB C 60.372 0.0 1 258 99 82 SER N N 114.382 0.0 1 259 100 83 LEU H H 8.122 0.0 1 260 100 83 LEU CA C 54.982 0.0 1 261 100 83 LEU CB C 38.751 0.0 1 262 100 83 LEU N N 121.291 0.0 1 263 102 85 GLU H H 8.096 0.0 1 264 102 85 GLU C C 175.135 0.0 1 265 102 85 GLU CA C 56.0 0.0 1 266 102 85 GLU CB C 26.105 0.0 1 267 102 85 GLU N N 121.584 0.0 1 268 103 86 TYR H H 7.616 0.0 1 269 103 86 TYR C C 175.115 0.0 1 270 103 86 TYR CA C 58.321 0.0 1 271 103 86 TYR CB C 34.884 0.0 1 272 103 86 TYR N N 118.68 0.0 1 273 104 87 VAL H H 7.942 0.0 1 274 104 87 VAL C C 175.39 0.0 1 275 104 87 VAL CA C 63.53 0.0 1 276 104 87 VAL CB C 28.08 0.0 1 277 104 87 VAL N N 119.466 0.0 1 278 105 88 LEU H H 7.603 0.0 1 279 105 88 LEU C C 177.073 0.0 1 280 105 88 LEU CA C 55.045 0.0 1 281 105 88 LEU CB C 37.86 0.0 1 282 105 88 LEU N N 120.704 0.0 1 283 106 89 LEU H H 7.669 0.0 1 284 106 89 LEU C C 176.493 0.0 1 285 106 89 LEU CB C 38.474 0.0 1 286 106 89 LEU N N 121.297 0.0 1 287 107 90 PHE H H 8.095 0.0 1 288 107 90 PHE C C 174.694 0.0 1 289 107 90 PHE CA C 57.168 0.0 1 290 107 90 PHE CB C 35.949 0.0 1 291 107 90 PHE N N 119.07 0.0 1 292 108 91 GLY H H 8.272 0.0 1 293 108 91 GLY C C 173.214 0.0 1 294 108 91 GLY CA C 44.252 0.0 1 295 108 91 GLY N N 107.006 0.0 1 296 109 92 THR H H 7.9 0.0 1 297 109 92 THR C C 173.591 0.0 1 298 109 92 THR CA C 61.939 0.0 1 299 109 92 THR CB C 65.948 0.0 1 300 109 92 THR N N 116.292 0.0 1 301 110 93 ALA H H 7.853 0.0 1 302 110 93 ALA CA C 51.311 0.0 1 303 110 93 ALA CB C 22.097 0.0 1 304 110 93 ALA N N 125.653 0.0 1 305 111 94 LEU H H 7.73 0.0 1 306 111 94 LEU C C 175.622 0.0 1 307 111 94 LEU CA C 53.432 0.0 1 308 111 94 LEU CB C 38.459 0.0 1 309 111 94 LEU N N 118.02 0.0 1 310 112 95 GLY H H 7.794 0.0 1 311 112 95 GLY CA C 43.09 0.0 1 312 112 95 GLY N N 107.146 0.0 1 313 113 96 SER H H 7.869 0.0 1 314 113 96 SER C C 171.674 0.0 1 315 113 96 SER N N 116.286 0.0 1 316 114 97 ARG H H 7.886 0.0 1 317 114 97 ARG C C 172.729 0.0 1 318 114 97 ARG CA C 56.001 0.0 1 319 114 97 ARG CB C 27.829 0.0 1 320 114 97 ARG N N 122.322 0.0 1 321 115 98 GLY H H 8.409 0.0 1 322 115 98 GLY CA C 43.114 0.0 1 323 115 98 GLY N N 111.53 0.0 1 324 116 99 HIS H H 7.54 0.0 1 325 116 99 HIS N N 126.611 0.0 1 326 118 101 GLY H H 8.205 0.0 1 327 118 101 GLY N N 110.762 0.0 1 328 119 102 ARG H H 7.993 0.0 1 329 119 102 ARG N N 121.3 0.0 1 330 122 105 ALA H H 7.864 0.0 1 331 122 105 ALA C C 176.649 0.0 1 332 122 105 ALA CA C 51.965 0.0 1 333 122 105 ALA CB C 15.063 0.0 1 334 122 105 ALA N N 123.254 0.0 1 335 123 106 GLU H H 7.785 0.0 1 336 123 106 GLU C C 176.687 0.0 1 337 123 106 GLU CA C 55.891 0.0 1 338 123 106 GLU CB C 26.352 0.0 1 339 123 106 GLU N N 118.148 0.0 1 340 124 107 ILE H H 7.829 0.0 1 341 124 107 ILE CA C 60.783 0.0 1 342 124 107 ILE CB C 34.311 0.0 1 343 124 107 ILE N N 120.452 0.0 1 344 125 108 SER H H 7.95 0.0 1 345 125 108 SER CA C 58.884 0.0 1 346 125 108 SER N N 117.056 0.0 1 347 126 109 ASP C C 175.846 0.0 1 348 126 109 ASP CA C 54.34 0.0 1 349 126 109 ASP CB C 38.052 0.0 1 350 127 110 THR H H 7.713 0.0 1 351 127 110 THR C C 173.652 0.0 1 352 127 110 THR CA C 63.043 0.0 1 353 127 110 THR CB C 65.95 0.0 1 354 127 110 THR N N 115.724 0.0 1 355 128 111 ILE H H 7.779 0.0 1 356 128 111 ILE C C 174.781 0.0 1 357 128 111 ILE CA C 61.273 0.0 1 358 128 111 ILE CB C 34.301 0.0 1 359 128 111 ILE N N 121.559 0.0 1 360 129 112 ILE H H 8.061 0.0 1 361 129 112 ILE C C 174.792 0.0 1 362 129 112 ILE CA C 61.275 0.0 1 363 129 112 ILE CB C 34.241 0.0 1 364 129 112 ILE N N 120.049 0.0 1 365 130 113 SER H H 8.014 0.0 1 366 130 113 SER C C 173.664 0.0 1 367 130 113 SER CA C 57.864 0.0 1 368 130 113 SER CB C 60.663 0.0 1 369 130 113 SER N N 115.411 0.0 1 370 131 114 GLY H H 7.854 0.0 1 371 131 114 GLY C C 172.268 0.0 1 372 131 114 GLY CA C 43.363 0.0 1 373 131 114 GLY N N 109.78 0.0 1 374 132 115 THR H H 7.693 0.0 1 375 132 115 THR C C 172.586 0.0 1 376 132 115 THR CA C 61.677 0.0 1 377 132 115 THR CB C 65.968 0.0 1 378 132 115 THR N N 115.629 0.0 1 379 133 116 PHE H H 7.976 0.0 1 380 133 116 PHE CA C 56.618 0.0 1 381 133 116 PHE CB C 35.829 0.0 1 382 133 116 PHE N N 121.058 0.0 1 383 134 117 HIS H H 7.94 0.0 1 384 134 117 HIS N N 119.104 0.0 1 385 135 118 GLN H H 7.842 0.0 1 386 135 118 GLN CA C 54.448 0.0 1 387 135 118 GLN CB C 36.226 0.0 1 388 135 118 GLN N N 119.538 0.0 1 389 136 119 TRP H H 7.875 0.0 1 390 136 119 TRP C C 174.059 0.0 1 391 136 119 TRP CA C 55.647 0.0 1 392 136 119 TRP CB C 25.698 0.0 1 393 136 119 TRP N N 121.769 0.0 1 394 137 120 ARG H H 7.767 0.0 1 395 137 120 ARG C C 174.748 0.0 1 396 137 120 ARG CA C 54.081 0.0 1 397 137 120 ARG CB C 27.294 0.0 1 398 137 120 ARG N N 120.155 0.0 1 399 138 121 GLU H H 7.785 0.0 1 400 138 121 GLU C C 174.689 0.0 1 401 138 121 GLU CA C 54.242 0.0 1 402 138 121 GLU CB C 26.687 0.0 1 403 138 121 GLU N N 120.532 0.0 1 404 139 122 GLY H H 8.012 0.0 1 405 139 122 GLY C C 171.823 0.0 1 406 139 122 GLY CA C 42.514 0.0 1 407 139 122 GLY N N 109.756 0.0 1 408 140 123 THR H H 7.79 0.0 1 409 140 123 THR CA C 59.082 0.0 1 410 140 123 THR CB C 66.877 0.0 1 411 140 123 THR N N 114.036 0.0 1 412 141 124 THR H H 7.955 0.0 1 413 141 124 THR CA C 58.884 0.0 1 414 141 124 THR N N 117.026 0.0 1 415 142 125 LYS H H 8.096 0.0 1 416 142 125 LYS N N 124.592 0.0 1 417 143 126 SER H H 8.066 0.0 1 418 143 126 SER C C 171.854 0.0 1 419 143 126 SER CA C 55.92 0.0 1 420 143 126 SER CB C 60.749 0.0 1 421 143 126 SER N N 117.955 0.0 1 422 144 127 GLU H H 8.214 0.0 1 423 144 127 GLU C C 173.467 0.0 1 424 144 127 GLU CA C 53.803 0.0 1 425 144 127 GLU CB C 26.876 0.0 1 426 144 127 GLU N N 123.867 0.0 1 427 145 128 VAL H H 7.742 0.0 1 428 145 128 VAL C C 172.558 0.0 1 429 145 128 VAL CA C 59.438 0.0 1 430 145 128 VAL CB C 29.339 0.0 1 431 145 128 VAL N N 120.888 0.0 1 432 146 129 PHE H H 7.859 0.0 1 433 146 129 PHE C C 171.929 0.0 1 434 146 129 PHE CA C 54.582 0.0 1 435 146 129 PHE CB C 36.805 0.0 1 436 146 129 PHE N N 123.615 0.0 1 437 147 130 TYR H H 7.912 0.0 1 438 147 130 TYR CA C 52.475 0.0 1 439 147 130 TYR CB C 35.498 0.0 1 440 147 130 TYR N N 123.936 0.0 1 441 148 131 PRO C C 175.237 0.0 1 442 149 132 GLY H H 8.279 0.0 1 443 149 132 GLY C C 171.629 0.0 1 444 149 132 GLY CA C 42.333 0.0 1 445 149 132 GLY N N 110.17 0.0 1 446 150 133 GLU H H 7.861 0.0 1 447 150 133 GLU C C 174.118 0.0 1 448 150 133 GLU CA C 53.681 0.0 1 449 150 133 GLU CB C 27.078 0.0 1 450 150 133 GLU N N 121.364 0.0 1 451 151 134 THR H H 8.032 0.0 1 452 151 134 THR C C 171.71 0.0 1 453 151 134 THR CA C 59.504 0.0 1 454 151 134 THR CB C 47.998 0.0 1 455 151 134 THR N N 116.779 0.0 1 456 152 135 VAL H H 7.864 0.0 1 457 152 135 VAL C C 173.048 0.0 1 458 152 135 VAL CA C 59.23 0.0 1 459 152 135 VAL CB C 29.42 0.0 1 460 152 135 VAL N N 124.066 0.0 1 461 153 136 VAL H H 7.895 0.0 1 462 153 136 VAL CA C 59.159 0.0 1 463 153 136 VAL CB C 29.4 0.0 1 464 153 136 VAL N N 124.783 0.0 1 465 154 137 HIS H H 8.178 0.0 1 466 154 137 HIS C C 172.457 0.0 1 467 154 137 HIS N N 123.934 0.0 1 468 155 138 GLY H H 8.141 0.0 1 469 155 138 GLY CA C 41.509 0.0 1 470 155 138 GLY N N 111.305 0.0 1 471 156 139 PRO C C 174.621 0.0 1 472 156 139 PRO CA C 60.345 0.0 1 473 156 139 PRO CB C 28.451 0.0 1 474 157 140 GLY H H 7.751 0.0 1 475 157 140 GLY C C 171.398 0.0 1 476 157 140 GLY CA C 42.126 0.0 1 477 157 140 GLY N N 109.293 0.0 1 478 158 141 GLU H H 7.995 0.0 1 479 158 141 GLU C C 173.78 0.0 1 480 158 141 GLU CA C 53.658 0.0 1 481 158 141 GLU CB C 27.148 0.0 1 482 158 141 GLU N N 121.31 0.0 1 483 159 142 ALA H H 8.113 0.0 1 484 159 142 ALA C C 175.162 0.0 1 485 159 142 ALA CA C 49.691 0.0 1 486 159 142 ALA CB C 15.947 0.0 1 487 159 142 ALA N N 125.692 0.0 1 488 160 143 THR H H 7.813 0.0 1 489 160 143 THR C C 171.652 0.0 1 490 160 143 THR CA C 58.929 0.0 1 491 160 143 THR CB C 66.868 0.0 1 492 160 143 THR N N 114.161 0.0 1 493 161 144 ALA H H 8.013 0.0 1 494 161 144 ALA C C 174.79 0.0 1 495 161 144 ALA CA C 49.487 0.0 1 496 161 144 ALA CB C 16.066 0.0 1 497 161 144 ALA N N 127.25 0.0 1 498 162 145 VAL H H 7.801 0.0 1 499 162 145 VAL C C 173.238 0.0 1 500 162 145 VAL CA C 56.368 0.0 1 501 162 145 VAL CB C 28.259 0.0 1 502 162 145 VAL N N 119.729 0.0 1 503 163 146 GLU H H 8.109 0.0 1 504 163 146 GLU C C 173.383 0.0 1 505 163 146 GLU CA C 53.237 0.0 1 506 163 146 GLU CB C 27.187 0.0 1 507 163 146 GLU N N 125.07 0.0 1 508 164 147 TRP H H 8.13 0.0 1 509 164 147 TRP C C 173.569 0.0 1 510 164 147 TRP CA C 54.282 0.0 1 511 164 147 TRP CB C 26.846 0.0 1 512 164 147 TRP N N 123.397 0.0 1 513 165 148 GLY H H 7.875 0.0 1 514 165 148 GLY CA C 42.198 0.0 1 515 165 148 GLY N N 110.678 0.0 1 516 166 149 PRO C C 174.072 0.0 1 517 166 149 PRO CA C 61.045 0.0 1 518 166 149 PRO CB C 28.454 0.0 1 519 167 150 ASN H H 8.157 0.0 1 520 167 150 ASN C C 173.369 0.0 1 521 167 150 ASN CA C 51.24 0.0 1 522 167 150 ASN CB C 35.805 0.0 1 523 167 150 ASN N N 117.034 0.0 1 524 168 151 THR H H 7.758 0.0 1 525 168 151 THR C C 173.184 0.0 1 526 168 151 THR CA C 61.315 0.0 1 527 168 151 THR CB C 66.163 0.0 1 528 168 151 THR N N 115.07 0.0 1 529 169 152 TRP H H 7.915 0.0 1 530 169 152 TRP HE1 H 131.711 0.0 1 531 169 152 TRP CA C 56.006 0.0 1 532 169 152 TRP CB C 25.417 0.0 1 533 169 152 TRP N N 122.525 0.0 1 534 169 152 TRP NE1 N 10.241 0.0 1 535 170 153 MET H H 7.414 0.0 1 536 170 153 MET C C 174.837 0.0 1 537 170 153 MET CA C 55.818 0.0 1 538 170 153 MET CB C 29.041 0.0 1 539 170 153 MET N N 119.979 0.0 1 540 171 154 VAL H H 7.247 0.0 1 541 171 154 VAL C C 175.31 0.0 1 542 171 154 VAL CA C 61.865 0.0 1 543 171 154 VAL CB C 28.378 0.0 1 544 171 154 VAL N N 118.578 0.0 1 545 172 155 GLU H H 7.799 0.0 1 546 172 155 GLU C C 175.852 0.0 1 547 172 155 GLU CA C 55.532 0.0 1 548 172 155 GLU CB C 26.266 0.0 1 549 172 155 GLU N N 120.061 0.0 1 550 173 156 TYR H H 7.941 0.0 1 551 173 156 TYR C C 174.795 0.0 1 552 173 156 TYR CA C 57.178 0.0 1 553 173 156 TYR CB C 35.432 0.0 1 554 173 156 TYR N N 119.095 0.0 1 555 174 157 GLY H H 7.94 0.0 1 556 174 157 GLY C C 171.7 0.0 1 557 174 157 GLY CA C 43.403 0.0 1 558 174 157 GLY N N 106.847 0.0 1 559 175 158 ARG H H 7.84 0.0 1 560 175 158 ARG C C 174.795 0.0 1 561 175 158 ARG CA C 55.41 0.0 1 562 175 158 ARG CB C 26.673 0.0 1 563 175 158 ARG N N 119.808 0.0 1 564 176 159 GLY H H 7.941 0.0 1 565 176 159 GLY C C 172.022 0.0 1 566 176 159 GLY CA C 42.689 0.0 1 567 176 159 GLY N N 107.583 0.0 1 568 177 160 VAL H H 7.543 0.0 1 569 177 160 VAL CA C 59.968 0.0 1 570 177 160 VAL CB C 29.858 0.0 1 571 177 160 VAL N N 117.841 0.0 1 572 181 164 THR H H 7.843 0.0 1 573 181 164 THR C C 173.488 0.0 1 574 181 164 THR CA C 61.852 0.0 1 575 181 164 THR CB C 65.607 0.0 1 576 181 164 THR N N 115.504 0.0 1 577 182 165 LEU H H 7.444 0.0 1 578 182 165 LEU C C 173.749 0.0 1 579 182 165 LEU CA C 54.175 0.0 1 580 182 165 LEU CB C 38.424 0.0 1 581 182 165 LEU N N 122.04 0.0 1 582 183 166 ALA H H 7.735 0.0 1 583 183 166 ALA C C 176.311 0.0 1 584 183 166 ALA CA C 51.966 0.0 1 585 183 166 ALA CB C 15.004 0.0 1 586 183 166 ALA N N 121.675 0.0 1 587 184 167 PHE H H 7.809 0.0 1 588 184 167 PHE C C 174.396 0.0 1 589 184 167 PHE CA C 56.698 0.0 1 590 184 167 PHE CB C 35.603 0.0 1 591 184 167 PHE N N 116.907 0.0 1 592 185 168 ALA H H 7.672 0.0 1 593 185 168 ALA C C 176.183 0.0 1 594 185 168 ALA CA C 51.952 0.0 1 595 185 168 ALA CB C 15.03 0.0 1 596 185 168 ALA N N 122.55 0.0 1 597 186 169 LEU H H 7.743 0.0 1 598 186 169 LEU C C 175.147 0.0 1 599 186 169 LEU CA C 53.088 0.0 1 600 186 169 LEU CB C 38.694 0.0 1 601 186 169 LEU N N 117.453 0.0 1 602 187 170 ALA H H 7.6 0.0 1 603 187 170 ALA C C 175.171 0.0 1 604 187 170 ALA CA C 51.384 0.0 1 605 187 170 ALA CB C 15.564 0.0 1 606 187 170 ALA N N 122.274 0.0 1 607 188 171 ASP H H 7.903 0.0 1 608 188 171 ASP C C 174.005 0.0 1 609 188 171 ASP CA C 52.342 0.0 1 610 188 171 ASP CB C 38.065 0.0 1 611 188 171 ASP N N 117.176 0.0 1 612 189 172 THR H H 7.488 0.0 1 613 189 172 THR C C 173.24 0.0 1 614 189 172 THR CA C 60.215 0.0 1 615 189 172 THR CB C 66.99 0.0 1 616 189 172 THR N N 114.294 0.0 1 617 190 173 VAL H H 7.948 0.0 1 618 190 173 VAL C C 173.139 0.0 1 619 190 173 VAL CA C 60.1 0.0 1 620 190 173 VAL CB C 28.848 0.0 1 621 190 173 VAL N N 121.478 0.0 1 622 191 174 PHE H H 7.813 0.0 1 623 191 174 PHE C C 172.374 0.0 1 624 191 174 PHE CA C 55.175 0.0 1 625 191 174 PHE CB C 36.892 0.0 1 626 191 174 PHE N N 121.346 0.0 1 627 192 175 SER H H 8.347 0.0 1 628 192 175 SER CA C 54.784 0.0 1 629 192 175 SER CB C 62.515 0.0 1 630 192 175 SER N N 116.328 0.0 1 631 193 176 THR H H 8.332 0.0 1 632 193 176 THR CA C 62.251 0.0 1 633 193 176 THR CB C 65.802 0.0 1 634 193 176 THR N N 117.13 0.0 1 635 194 177 GLN H H 8.11 0.0 1 636 194 177 GLN CA C 55.354 0.0 1 637 194 177 GLN CB C 25.393 0.0 1 638 194 177 GLN N N 121.241 0.0 1 639 195 178 ASP H H 7.761 0.0 1 640 195 178 ASP C C 175.272 0.0 1 641 195 178 ASP CA C 53.659 0.0 1 642 195 178 ASP CB C 37.857 0.0 1 643 195 178 ASP N N 120.496 0.0 1 644 196 179 PHE H H 7.853 0.0 1 645 196 179 PHE C C 174.589 0.0 1 646 196 179 PHE CA C 58.368 0.0 1 647 196 179 PHE CB C 35.838 0.0 1 648 196 179 PHE N N 120.231 0.0 1 649 197 180 LEU H H 8.069 0.0 1 650 197 180 LEU C C 175.802 0.0 1 651 197 180 LEU CA C 56.912 0.0 1 652 197 180 LEU CB C 37.44 0.0 1 653 197 180 LEU N N 120.811 0.0 1 654 198 181 THR H H 7.998 0.0 1 655 198 181 THR C C 174.875 0.0 1 656 198 181 THR CA C 63.541 0.0 1 657 198 181 THR CB C 65.217 0.0 1 658 198 181 THR N N 115.744 0.0 1 659 199 182 LEU H H 7.587 0.0 1 660 199 182 LEU C C 175.576 0.0 1 661 199 182 LEU CA C 55.39 0.0 1 662 199 182 LEU CB C 37.795 0.0 1 663 199 182 LEU N N 124.318 0.0 1 664 200 183 PHE H H 8.18 0.0 1 665 200 183 PHE C C 174.342 0.0 1 666 200 183 PHE CA C 58.841 0.0 1 667 200 183 PHE CB C 35.349 0.0 1 668 200 183 PHE N N 120.443 0.0 1 669 201 184 TYR H H 8.463 0.0 1 670 201 184 TYR C C 177.047 0.0 1 671 201 184 TYR CA C 57.765 0.0 1 672 201 184 TYR CB C 33.73 0.0 1 673 201 184 TYR N N 118.979 0.0 1 674 202 185 THR H H 8.107 0.0 1 675 202 185 THR C C 173.767 0.0 1 676 202 185 THR CA C 63.65 0.0 1 677 202 185 THR CB C 65.352 0.0 1 678 202 185 THR N N 119.376 0.0 1 679 203 186 LEU H H 8.198 0.0 1 680 203 186 LEU C C 175.79 0.0 1 681 203 186 LEU CA C 55.347 0.0 1 682 203 186 LEU CB C 37.972 0.0 1 683 203 186 LEU N N 122.928 0.0 1 684 204 187 ARG H H 8.276 0.0 1 685 204 187 ARG C C 175.45 0.0 1 686 204 187 ARG CA C 56.948 0.0 1 687 204 187 ARG CB C 26.262 0.0 1 688 204 187 ARG N N 119.319 0.0 1 689 205 188 SER H H 7.674 0.0 1 690 205 188 SER C C 174.627 0.0 1 691 205 188 SER CA C 58.724 0.0 1 692 205 188 SER N N 115.383 0.0 1 693 206 189 TYR H H 7.814 0.0 1 694 206 189 TYR C C 175.175 0.0 1 695 206 189 TYR CA C 56.287 0.0 1 696 206 189 TYR CB C 35.024 0.0 1 697 206 189 TYR N N 122.572 0.0 1 698 207 190 ALA H H 8.194 0.0 1 699 207 190 ALA C C 176.028 0.0 1 700 207 190 ALA CA C 51.89 0.0 1 701 207 190 ALA CB C 15.224 0.0 1 702 207 190 ALA N N 121.53 0.0 1 703 208 191 ARG H H 7.781 0.0 1 704 208 191 ARG C C 175.863 0.0 1 705 208 191 ARG CA C 56.117 0.0 1 706 208 191 ARG CB C 26.692 0.0 1 707 208 191 ARG N N 117.761 0.0 1 708 209 192 GLY H H 7.862 0.0 1 709 209 192 GLY C C 172.735 0.0 1 710 209 192 GLY CA C 43.295 0.0 1 711 209 192 GLY N N 107.882 0.0 1 712 210 193 LEU H H 7.584 0.0 1 713 210 193 LEU C C 173.243 0.0 1 714 210 193 LEU CA C 57.955 0.0 1 715 210 193 LEU N N 121.958 0.0 1 716 211 194 ARG H H 8.293 0.0 1 717 211 194 ARG CA C 53.734 0.0 1 718 211 194 ARG N N 125.813 0.0 1 719 212 195 LEU C C 175.806 0.0 1 720 213 196 GLU H H 8.432 0.0 1 721 213 196 GLU C C 176.024 0.0 1 722 213 196 GLU CA C 55.421 0.0 1 723 213 196 GLU CB C 25.92 0.0 1 724 213 196 GLU N N 122.246 0.0 1 725 214 197 LEU H H 8.332 0.0 1 726 214 197 LEU C C 175.895 0.0 1 727 214 197 LEU CA C 54.862 0.0 1 728 214 197 LEU CB C 38.998 0.0 1 729 214 197 LEU N N 120.63 0.0 1 730 215 198 THR H H 8.079 0.0 1 731 215 198 THR CA C 63.454 0.0 1 732 215 198 THR CB C 65.371 0.0 1 733 215 198 THR N N 112.585 0.0 1 734 216 199 THR H H 7.811 0.0 1 735 216 199 THR C C 173.59 0.0 1 736 216 199 THR CA C 62.635 0.0 1 737 216 199 THR CB C 65.562 0.0 1 738 216 199 THR N N 118.059 0.0 1 739 217 200 TYR H H 7.584 0.0 1 740 217 200 TYR C C 173.84 0.0 1 741 217 200 TYR CA C 57.879 0.0 1 742 217 200 TYR CB C 35.55 0.0 1 743 217 200 TYR N N 121.754 0.0 1 744 218 201 LEU H H 7.623 0.0 1 745 218 201 LEU C C 174.459 0.0 1 746 218 201 LEU CA C 53.821 0.0 1 747 218 201 LEU CB C 39.439 0.0 1 748 218 201 LEU N N 116.083 0.0 1 749 219 202 PHE H H 7.7 0.0 1 750 219 202 PHE C C 174.08 0.0 1 751 219 202 PHE CA C 54.493 0.0 1 752 219 202 PHE CB C 36.711 0.0 1 753 219 202 PHE N N 113.787 0.0 1 754 220 203 GLY H H 7.754 0.0 1 755 220 203 GLY C C 170.753 0.0 1 756 220 203 GLY CA C 42.398 0.0 1 757 220 203 GLY N N 109.79 0.0 1 758 221 204 GLN H H 7.991 0.0 1 759 221 204 GLN C C 172.828 0.0 1 760 221 204 GLN CA C 52.428 0.0 1 761 221 204 GLN CB C 26.964 0.0 1 762 221 204 GLN N N 119.177 0.0 1 763 222 205 ASP H H 8.168 0.0 1 764 222 205 ASP CA C 50.085 0.0 1 765 222 205 ASP CB C 37.369 0.0 1 766 222 205 ASP N N 124.532 0.0 1 stop_ save_