data_26835 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, 15N Chemical shift assignments for Protein Phosphatase 1B T178A variant ; _BMRB_accession_number 26835 _BMRB_flat_file_name bmr26835.str _Entry_type original _Submission_date 2016-06-23 _Accession_date 2016-06-23 _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 Peti Wolfgang . . 2 Page Rebecca . . 3 Li Yang . . 4 Choy Meng S. . 5 Machado Luciana . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 238 "13C chemical shifts" 484 "15N chemical shifts" 238 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-20 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 19224 . 26836 'Protein Tyrosine Phosphatase 1B L192A variant' 26837 'Protein Tyrosine Phosphatase 1B N193A variant' 26838 'Protein Tyrosine Phosphatase 1B (1-301) in complex with TCS401' stop_ _Original_release_date 2016-06-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28212750 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Choy Meng S. . 2 Li Yang . . 3 Machado Luciana . . 4 Connors Christopher R. . 5 Wei Xinyu . . 6 Page Rebecca . . 7 Peti Wolfgang . . stop_ _Journal_abbreviation 'Mol. Cell.' _Journal_volume 65 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 644 _Page_last 658 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Protein Phosphatase 1B T178A variant' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Protein Phosphatase 1B T178A variant' $PTP1B_T178A_mutant 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_PTP1B_T178A_mutant _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PTP1B_T178A_mutant _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 308 _Mol_residue_sequence ; GHMASMEMEKEFEQIDKSGS WAAIYQDIRHEASDFPCRVA KLPKNKNRNRYRDVSPFDHS RIKLHQEDNDYINASLIKME EAQRSYILTQGPLPNTCGHF WEMVWEQKSRGVVMLNRVME KGSLKCAQYWPQKEEKEMIF EDTNLKLTLISEDIKSYYTV RQLELENLTTQETREILHFH YTAWPDFGVPESPASFLNFL FKVRESGSLSPEHGPVVVHC SAGIGRSGTFCLADTCLLLM DKRKDPSSVDIKKVLLEMRK FRMGLIQTADQLRFSYLAVI EGAKFIMGDSSVQDQWKELS HEDLEPHN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 HIS 3 3 MET 4 4 ALA 5 5 SER 6 6 MET 7 7 GLU 8 8 MET 9 9 GLU 10 10 LYS 11 11 GLU 12 12 PHE 13 13 GLU 14 14 GLN 15 15 ILE 16 16 ASP 17 17 LYS 18 18 SER 19 19 GLY 20 20 SER 21 21 TRP 22 22 ALA 23 23 ALA 24 24 ILE 25 25 TYR 26 26 GLN 27 27 ASP 28 28 ILE 29 29 ARG 30 30 HIS 31 31 GLU 32 32 ALA 33 33 SER 34 34 ASP 35 35 PHE 36 36 PRO 37 37 CYS 38 38 ARG 39 39 VAL 40 40 ALA 41 41 LYS 42 42 LEU 43 43 PRO 44 44 LYS 45 45 ASN 46 46 LYS 47 47 ASN 48 48 ARG 49 49 ASN 50 50 ARG 51 51 TYR 52 52 ARG 53 53 ASP 54 54 VAL 55 55 SER 56 56 PRO 57 57 PHE 58 58 ASP 59 59 HIS 60 60 SER 61 61 ARG 62 62 ILE 63 63 LYS 64 64 LEU 65 65 HIS 66 66 GLN 67 67 GLU 68 68 ASP 69 69 ASN 70 70 ASP 71 71 TYR 72 72 ILE 73 73 ASN 74 74 ALA 75 75 SER 76 76 LEU 77 77 ILE 78 78 LYS 79 79 MET 80 80 GLU 81 81 GLU 82 82 ALA 83 83 GLN 84 84 ARG 85 85 SER 86 86 TYR 87 87 ILE 88 88 LEU 89 89 THR 90 90 GLN 91 91 GLY 92 92 PRO 93 93 LEU 94 94 PRO 95 95 ASN 96 96 THR 97 97 CYS 98 98 GLY 99 99 HIS 100 100 PHE 101 101 TRP 102 102 GLU 103 103 MET 104 104 VAL 105 105 TRP 106 106 GLU 107 107 GLN 108 108 LYS 109 109 SER 110 110 ARG 111 111 GLY 112 112 VAL 113 113 VAL 114 114 MET 115 115 LEU 116 116 ASN 117 117 ARG 118 118 VAL 119 119 MET 120 120 GLU 121 121 LYS 122 122 GLY 123 123 SER 124 124 LEU 125 125 LYS 126 126 CYS 127 127 ALA 128 128 GLN 129 129 TYR 130 130 TRP 131 131 PRO 132 132 GLN 133 133 LYS 134 134 GLU 135 135 GLU 136 136 LYS 137 137 GLU 138 138 MET 139 139 ILE 140 140 PHE 141 141 GLU 142 142 ASP 143 143 THR 144 144 ASN 145 145 LEU 146 146 LYS 147 147 LEU 148 148 THR 149 149 LEU 150 150 ILE 151 151 SER 152 152 GLU 153 153 ASP 154 154 ILE 155 155 LYS 156 156 SER 157 157 TYR 158 158 TYR 159 159 THR 160 160 VAL 161 161 ARG 162 162 GLN 163 163 LEU 164 164 GLU 165 165 LEU 166 166 GLU 167 167 ASN 168 168 LEU 169 169 THR 170 170 THR 171 171 GLN 172 172 GLU 173 173 THR 174 174 ARG 175 175 GLU 176 176 ILE 177 177 LEU 178 178 HIS 179 179 PHE 180 180 HIS 181 181 TYR 182 182 THR 183 183 ALA 184 184 TRP 185 185 PRO 186 186 ASP 187 187 PHE 188 188 GLY 189 189 VAL 190 190 PRO 191 191 GLU 192 192 SER 193 193 PRO 194 194 ALA 195 195 SER 196 196 PHE 197 197 LEU 198 198 ASN 199 199 PHE 200 200 LEU 201 201 PHE 202 202 LYS 203 203 VAL 204 204 ARG 205 205 GLU 206 206 SER 207 207 GLY 208 208 SER 209 209 LEU 210 210 SER 211 211 PRO 212 212 GLU 213 213 HIS 214 214 GLY 215 215 PRO 216 216 VAL 217 217 VAL 218 218 VAL 219 219 HIS 220 220 CYS 221 221 SER 222 222 ALA 223 223 GLY 224 224 ILE 225 225 GLY 226 226 ARG 227 227 SER 228 228 GLY 229 229 THR 230 230 PHE 231 231 CYS 232 232 LEU 233 233 ALA 234 234 ASP 235 235 THR 236 236 CYS 237 237 LEU 238 238 LEU 239 239 LEU 240 240 MET 241 241 ASP 242 242 LYS 243 243 ARG 244 244 LYS 245 245 ASP 246 246 PRO 247 247 SER 248 248 SER 249 249 VAL 250 250 ASP 251 251 ILE 252 252 LYS 253 253 LYS 254 254 VAL 255 255 LEU 256 256 LEU 257 257 GLU 258 258 MET 259 259 ARG 260 260 LYS 261 261 PHE 262 262 ARG 263 263 MET 264 264 GLY 265 265 LEU 266 266 ILE 267 267 GLN 268 268 THR 269 269 ALA 270 270 ASP 271 271 GLN 272 272 LEU 273 273 ARG 274 274 PHE 275 275 SER 276 276 TYR 277 277 LEU 278 278 ALA 279 279 VAL 280 280 ILE 281 281 GLU 282 282 GLY 283 283 ALA 284 284 LYS 285 285 PHE 286 286 ILE 287 287 MET 288 288 GLY 289 289 ASP 290 290 SER 291 291 SER 292 292 VAL 293 293 GLN 294 294 ASP 295 295 GLN 296 296 TRP 297 297 LYS 298 298 GLU 299 299 LEU 300 300 SER 301 301 HIS 302 302 GLU 303 303 ASP 304 304 LEU 305 305 GLU 306 306 PRO 307 307 HIS 308 308 ASN 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 $PTP1B_T178A_mutant humans 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 $PTP1B_T178A_mutant 'recombinant technology' . Escherichia coli . pRP1B 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 _Isotopic_labeling $PTP1B_T178A_mutant 0.2 mM '[U-99% 2H; U-99% 15N]' HEPES 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTP1B_T178A_mutant 0.2 mM '[U-99% 2H; U-99% 13C; U-99% 15N]' HEPES 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version . 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 III HD' _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 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' 0.2 . M pH 6.8 . pH pressure 1 . atm temperature 298 . 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 0.00 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 TROSY' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Protein Phosphatase 1B T178A variant' _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 5 5 SER H H 7.688 0.003 1 2 5 5 SER CA C 61.733 0.260 1 3 5 5 SER CB C 63.010 0.260 1 4 5 5 SER N N 114.173 0.130 1 5 6 6 MET H H 8.609 0.003 1 6 6 6 MET CA C 60.208 0.260 1 7 6 6 MET CB C 33.565 0.260 1 8 6 6 MET N N 119.226 0.130 1 9 7 7 GLU H H 7.828 0.003 1 10 7 7 GLU CA C 60.237 0.260 1 11 7 7 GLU CB C 30.343 0.260 1 12 7 7 GLU N N 119.658 0.130 1 13 8 8 MET H H 7.625 0.003 1 14 8 8 MET CA C 59.874 0.260 1 15 8 8 MET CB C 31.837 0.260 1 16 8 8 MET N N 120.841 0.130 1 17 10 10 LYS H H 8.292 0.003 1 18 10 10 LYS CA C 59.739 0.260 1 19 10 10 LYS N N 119.939 0.130 1 20 11 11 GLU H H 8.137 0.003 1 21 11 11 GLU CA C 59.927 0.260 1 22 11 11 GLU CB C 29.934 0.260 1 23 11 11 GLU N N 121.679 0.130 1 24 12 12 PHE H H 8.435 0.003 1 25 12 12 PHE CA C 62.842 0.260 1 26 12 12 PHE CB C 40.372 0.260 1 27 12 12 PHE N N 119.708 0.130 1 28 13 13 GLU H H 8.156 0.003 1 29 13 13 GLU CA C 59.904 0.260 1 30 13 13 GLU CB C 29.681 0.260 1 31 13 13 GLU N N 117.818 0.130 1 32 14 14 GLN H H 7.697 0.003 1 33 14 14 GLN CA C 59.414 0.260 1 34 14 14 GLN CB C 28.277 0.260 1 35 14 14 GLN N N 119.111 0.130 1 36 15 15 ILE H H 8.093 0.003 1 37 15 15 ILE CA C 65.324 0.260 1 38 15 15 ILE CB C 38.073 0.260 1 39 15 15 ILE N N 123.140 0.130 1 40 16 16 ASP H H 8.329 0.003 1 41 16 16 ASP CA C 58.259 0.260 1 42 16 16 ASP CB C 42.005 0.260 1 43 16 16 ASP N N 119.392 0.130 1 44 17 17 LYS H H 8.286 0.003 1 45 17 17 LYS CA C 59.365 0.260 1 46 17 17 LYS CB C 32.172 0.260 1 47 17 17 LYS N N 118.164 0.130 1 48 18 18 SER H H 7.465 0.003 1 49 18 18 SER CA C 59.056 0.260 1 50 18 18 SER CB C 64.736 0.260 1 51 18 18 SER N N 111.509 0.130 1 52 19 19 GLY H H 7.743 0.003 1 53 19 19 GLY CA C 47.479 0.260 1 54 19 19 GLY N N 113.283 0.130 1 55 20 20 SER H H 7.723 0.003 1 56 20 20 SER CA C 59.059 0.260 1 57 20 20 SER CB C 63.713 0.260 1 58 20 20 SER N N 111.598 0.130 1 59 21 21 TRP H H 7.052 0.003 1 60 21 21 TRP HE1 H 10.954 0.003 1 61 21 21 TRP CA C 60.998 0.260 1 62 21 21 TRP CB C 29.223 0.260 1 63 21 21 TRP N N 121.972 0.130 1 64 21 21 TRP NE1 N 130.898 0.130 1 65 22 22 ALA H H 8.609 0.003 1 66 22 22 ALA CA C 56.039 0.260 1 67 22 22 ALA CB C 17.744 0.260 1 68 22 22 ALA N N 119.554 0.130 1 69 23 23 ALA H H 7.560 0.003 1 70 23 23 ALA CA C 55.617 0.260 1 71 23 23 ALA CB C 18.033 0.260 1 72 23 23 ALA N N 122.871 0.130 1 73 24 24 ILE H H 7.842 0.003 1 74 24 24 ILE CA C 63.742 0.260 1 75 24 24 ILE CB C 36.988 0.260 1 76 24 24 ILE N N 119.447 0.130 1 77 25 25 TYR H H 8.458 0.003 1 78 25 25 TYR CA C 62.877 0.260 1 79 25 25 TYR CB C 38.699 0.260 1 80 25 25 TYR N N 120.322 0.130 1 81 26 26 GLN H H 8.070 0.003 1 82 26 26 GLN CA C 59.004 0.260 1 83 26 26 GLN CB C 27.881 0.260 1 84 26 26 GLN N N 118.135 0.130 1 85 27 27 ASP H H 7.718 0.003 1 86 27 27 ASP CA C 58.387 0.260 1 87 27 27 ASP CB C 40.330 0.260 1 88 27 27 ASP N N 121.054 0.130 1 89 28 28 ILE H H 7.564 0.003 1 90 28 28 ILE CA C 65.528 0.260 1 91 28 28 ILE CB C 37.200 0.260 1 92 28 28 ILE N N 120.566 0.130 1 93 29 29 ARG H H 7.606 0.003 1 94 29 29 ARG CA C 60.367 0.260 1 95 29 29 ARG CB C 29.861 0.260 1 96 29 29 ARG N N 117.780 0.130 1 97 30 30 HIS H H 8.046 0.003 1 98 30 30 HIS CA C 58.626 0.260 1 99 30 30 HIS CB C 29.831 0.260 1 100 30 30 HIS N N 116.665 0.130 1 101 31 31 GLU H H 7.689 0.003 1 102 31 31 GLU CA C 56.907 0.260 1 103 31 31 GLU CB C 30.843 0.260 1 104 31 31 GLU N N 117.922 0.130 1 105 32 32 ALA H H 7.297 0.003 1 106 32 32 ALA CA C 53.336 0.260 1 107 32 32 ALA CB C 19.376 0.260 1 108 32 32 ALA N N 123.463 0.130 1 109 33 33 SER H H 7.871 0.003 1 110 33 33 SER CA C 59.776 0.260 1 111 33 33 SER CB C 65.121 0.260 1 112 33 33 SER N N 117.354 0.130 1 113 34 34 ASP H H 7.987 0.003 1 114 34 34 ASP CA C 54.309 0.260 1 115 34 34 ASP CB C 43.764 0.260 1 116 34 34 ASP N N 122.595 0.130 1 117 35 35 PHE H H 6.663 0.003 1 118 35 35 PHE CA C 55.725 0.260 1 119 35 35 PHE CB C 41.037 0.260 1 120 35 35 PHE N N 119.660 0.130 1 121 36 36 PRO CA C 64.813 0.260 1 122 36 36 PRO CB C 32.896 0.260 1 123 37 37 CYS H H 9.053 0.003 1 124 37 37 CYS CA C 56.909 0.260 1 125 37 37 CYS CB C 28.755 0.260 1 126 37 37 CYS N N 126.443 0.130 1 127 38 38 ARG H H 9.415 0.003 1 128 38 38 ARG CA C 60.340 0.260 1 129 38 38 ARG CB C 30.614 0.260 1 130 38 38 ARG N N 121.925 0.130 1 131 39 39 VAL H H 9.411 0.003 1 132 39 39 VAL CA C 67.456 0.260 1 133 39 39 VAL CB C 30.727 0.260 1 134 39 39 VAL N N 121.593 0.130 1 135 40 40 ALA H H 8.429 0.003 1 136 40 40 ALA CA C 55.169 0.260 1 137 40 40 ALA CB C 21.205 0.260 1 138 40 40 ALA N N 121.733 0.130 1 139 41 41 LYS H H 6.693 0.003 1 140 41 41 LYS CA C 55.900 0.260 1 141 41 41 LYS CB C 32.881 0.260 1 142 41 41 LYS N N 111.286 0.130 1 143 42 42 LEU H H 7.381 0.003 1 144 42 42 LEU CA C 54.633 0.260 1 145 42 42 LEU CB C 41.068 0.260 1 146 42 42 LEU N N 123.673 0.130 1 147 43 43 PRO CA C 66.579 0.260 1 148 44 44 LYS H H 8.025 0.003 1 149 44 44 LYS CA C 58.520 0.260 1 150 44 44 LYS CB C 31.342 0.260 1 151 44 44 LYS N N 114.251 0.130 1 152 45 45 ASN H H 7.639 0.003 1 153 45 45 ASN CA C 53.474 0.260 1 154 45 45 ASN CB C 39.632 0.260 1 155 45 45 ASN N N 117.040 0.130 1 156 46 46 LYS H H 7.301 0.003 1 157 46 46 LYS CA C 61.279 0.260 1 158 46 46 LYS CB C 32.454 0.260 1 159 46 46 LYS N N 123.620 0.130 1 160 47 47 ASN H H 8.291 0.003 1 161 47 47 ASN CA C 53.630 0.260 1 162 47 47 ASN CB C 37.230 0.260 1 163 47 47 ASN N N 113.834 0.130 1 164 48 48 ARG H H 7.785 0.003 1 165 48 48 ARG CA C 56.644 0.260 1 166 48 48 ARG CB C 31.405 0.260 1 167 48 48 ARG N N 115.372 0.130 1 168 49 49 ASN H H 7.388 0.003 1 169 49 49 ASN CA C 53.019 0.260 1 170 49 49 ASN CB C 41.646 0.260 1 171 49 49 ASN N N 119.973 0.130 1 172 50 50 ARG H H 9.060 0.003 1 173 50 50 ARG CA C 59.614 0.260 1 174 50 50 ARG CB C 31.032 0.260 1 175 50 50 ARG N N 126.194 0.130 1 176 51 51 TYR H H 9.346 0.003 1 177 51 51 TYR CA C 56.733 0.260 1 178 51 51 TYR CB C 40.423 0.260 1 179 51 51 TYR N N 117.452 0.130 1 180 52 52 ARG CA C 58.556 0.260 1 181 52 52 ARG CB C 29.933 0.260 1 182 53 53 ASP H H 8.499 0.003 1 183 53 53 ASP CA C 53.863 0.260 1 184 53 53 ASP CB C 40.583 0.260 1 185 53 53 ASP N N 113.235 0.130 1 186 54 54 VAL H H 6.899 0.003 1 187 54 54 VAL CA C 63.261 0.260 1 188 54 54 VAL CB C 32.620 0.260 1 189 54 54 VAL N N 119.587 0.130 1 190 55 55 SER H H 7.840 0.003 1 191 55 55 SER CA C 56.231 0.260 1 192 55 55 SER CB C 65.251 0.260 1 193 55 55 SER N N 123.651 0.130 1 194 56 56 PRO CA C 62.436 0.260 1 195 56 56 PRO CB C 32.448 0.260 1 196 57 57 PHE H H 7.134 0.003 1 197 57 57 PHE CA C 56.190 0.260 1 198 57 57 PHE CB C 39.563 0.260 1 199 57 57 PHE N N 124.639 0.130 1 200 58 58 ASP H H 9.187 0.003 1 201 58 58 ASP CA C 59.485 0.260 1 202 58 58 ASP CB C 40.746 0.260 1 203 58 58 ASP N N 124.751 0.130 1 204 59 59 HIS H H 8.928 0.003 1 205 59 59 HIS CA C 59.737 0.260 1 206 59 59 HIS CB C 30.480 0.260 1 207 59 59 HIS N N 115.594 0.130 1 208 60 60 SER H H 6.260 0.003 1 209 60 60 SER CA C 56.154 0.260 1 210 60 60 SER CB C 64.226 0.260 1 211 60 60 SER N N 108.457 0.130 1 212 61 61 ARG H H 7.199 0.003 1 213 61 61 ARG CA C 56.181 0.260 1 214 61 61 ARG CB C 28.673 0.260 1 215 61 61 ARG N N 123.227 0.130 1 216 62 62 ILE H H 7.026 0.003 1 217 62 62 ILE CA C 57.840 0.260 1 218 62 62 ILE CB C 36.130 0.260 1 219 62 62 ILE N N 122.243 0.130 1 220 63 63 LYS H H 8.427 0.003 1 221 63 63 LYS CA C 55.676 0.260 1 222 63 63 LYS CB C 32.922 0.260 1 223 63 63 LYS N N 127.751 0.130 1 224 64 64 LEU H H 9.143 0.003 1 225 64 64 LEU CA C 54.586 0.260 1 226 64 64 LEU CB C 42.247 0.260 1 227 64 64 LEU N N 125.550 0.130 1 228 65 65 HIS H H 9.492 0.003 1 229 65 65 HIS CA C 54.641 0.260 1 230 65 65 HIS CB C 27.092 0.260 1 231 65 65 HIS N N 124.064 0.130 1 232 66 66 GLN H H 7.348 0.003 1 233 66 66 GLN CA C 55.145 0.260 1 234 66 66 GLN CB C 31.625 0.260 1 235 66 66 GLN N N 119.878 0.130 1 236 67 67 GLU H H 8.370 0.003 1 237 67 67 GLU CA C 58.735 0.260 1 238 67 67 GLU CB C 30.433 0.260 1 239 67 67 GLU N N 121.176 0.130 1 240 68 68 ASP H H 8.221 0.003 1 241 68 68 ASP CA C 57.234 0.260 1 242 68 68 ASP CB C 41.373 0.260 1 243 68 68 ASP N N 118.741 0.130 1 244 69 69 ASN H H 7.363 0.003 1 245 69 69 ASN CA C 53.981 0.260 1 246 69 69 ASN CB C 38.277 0.260 1 247 69 69 ASN N N 114.303 0.130 1 248 70 70 ASP H H 8.042 0.003 1 249 70 70 ASP CA C 53.844 0.260 1 250 70 70 ASP CB C 42.076 0.260 1 251 70 70 ASP N N 126.234 0.130 1 252 71 71 TYR H H 7.915 0.003 1 253 71 71 TYR CA C 61.480 0.260 1 254 71 71 TYR CB C 39.209 0.260 1 255 71 71 TYR N N 118.871 0.130 1 256 72 72 ILE H H 7.605 0.003 1 257 72 72 ILE CA C 59.448 0.260 1 258 72 72 ILE CB C 42.127 0.260 1 259 72 72 ILE N N 125.374 0.130 1 260 73 73 ASN H H 8.091 0.003 1 261 73 73 ASN CA C 53.261 0.260 1 262 73 73 ASN CB C 36.294 0.260 1 263 73 73 ASN N N 125.684 0.130 1 264 74 74 ALA H H 7.668 0.003 1 265 74 74 ALA CA C 52.395 0.260 1 266 74 74 ALA CB C 23.222 0.260 1 267 74 74 ALA N N 129.212 0.130 1 268 75 75 SER H H 8.859 0.003 1 269 75 75 SER CA C 58.060 0.260 1 270 75 75 SER CB C 67.528 0.260 1 271 75 75 SER N N 116.851 0.130 1 272 76 76 LEU H H 8.812 0.003 1 273 76 76 LEU CA C 54.794 0.260 1 274 76 76 LEU CB C 42.274 0.260 1 275 76 76 LEU N N 127.165 0.130 1 276 77 77 ILE H H 9.383 0.003 1 277 77 77 ILE CA C 60.928 0.260 1 278 77 77 ILE CB C 37.826 0.260 1 279 77 77 ILE N N 128.141 0.130 1 280 78 78 LYS CA C 55.556 0.260 1 281 78 78 LYS CB C 33.651 0.260 1 282 79 79 MET H H 8.183 0.003 1 283 79 79 MET CA C 52.572 0.260 1 284 79 79 MET CB C 30.025 0.260 1 285 79 79 MET N N 124.012 0.130 1 286 80 80 GLU H H 8.341 0.003 1 287 80 80 GLU CA C 60.767 0.260 1 288 80 80 GLU CB C 29.899 0.260 1 289 80 80 GLU N N 126.240 0.130 1 290 81 81 GLU H H 8.820 0.003 1 291 81 81 GLU CA C 59.687 0.260 1 292 81 81 GLU CB C 29.096 0.260 1 293 81 81 GLU N N 121.728 0.130 1 294 82 82 ALA H H 7.300 0.003 1 295 82 82 ALA CA C 52.913 0.260 1 296 82 82 ALA CB C 19.162 0.260 1 297 82 82 ALA N N 117.289 0.130 1 298 83 83 GLN H H 7.613 0.003 1 299 83 83 GLN CA C 56.721 0.260 1 300 83 83 GLN CB C 26.418 0.260 1 301 83 83 GLN N N 112.558 0.130 1 302 84 84 ARG H H 7.117 0.003 1 303 84 84 ARG CA C 54.519 0.260 1 304 84 84 ARG CB C 36.008 0.260 1 305 84 84 ARG N N 117.858 0.130 1 306 85 85 SER H H 7.650 0.003 1 307 85 85 SER CA C 57.234 0.260 1 308 85 85 SER CB C 66.515 0.260 1 309 85 85 SER N N 118.545 0.130 1 310 86 86 TYR H H 8.501 0.003 1 311 86 86 TYR CA C 55.623 0.260 1 312 86 86 TYR CB C 43.690 0.260 1 313 86 86 TYR N N 116.984 0.130 1 314 87 87 ILE H H 9.344 0.003 1 315 87 87 ILE CA C 60.974 0.260 1 316 87 87 ILE CB C 39.171 0.260 1 317 87 87 ILE N N 123.037 0.130 1 318 88 88 LEU H H 8.514 0.003 1 319 88 88 LEU CA C 54.258 0.260 1 320 88 88 LEU CB C 44.057 0.260 1 321 88 88 LEU N N 128.884 0.130 1 322 89 89 THR H H 8.395 0.003 1 323 89 89 THR CA C 58.336 0.260 1 324 89 89 THR CB C 72.233 0.260 1 325 89 89 THR N N 115.905 0.130 1 326 90 90 GLN H H 6.378 0.003 1 327 90 90 GLN CA C 53.193 0.260 1 328 90 90 GLN CB C 28.487 0.260 1 329 90 90 GLN N N 116.892 0.130 1 330 91 91 GLY H H 8.682 0.003 1 331 91 91 GLY CA C 45.584 0.260 1 332 91 91 GLY N N 112.652 0.130 1 333 92 92 PRO CA C 64.321 0.260 1 334 92 92 PRO CB C 32.252 0.260 1 335 93 93 LEU H H 7.885 0.003 1 336 93 93 LEU CA C 53.975 0.260 1 337 93 93 LEU CB C 42.226 0.260 1 338 93 93 LEU N N 123.985 0.130 1 339 94 94 PRO CA C 66.759 0.260 1 340 94 94 PRO CB C 31.501 0.260 1 341 95 95 ASN H H 8.514 0.003 1 342 95 95 ASN CA C 54.428 0.260 1 343 95 95 ASN CB C 37.428 0.260 1 344 95 95 ASN N N 106.988 0.130 1 345 96 96 THR H H 8.004 0.003 1 346 96 96 THR CA C 61.249 0.260 1 347 96 96 THR CB C 69.918 0.260 1 348 96 96 THR N N 111.809 0.130 1 349 97 97 CYS H H 7.504 0.003 1 350 97 97 CYS CA C 64.668 0.260 1 351 97 97 CYS CB C 28.624 0.260 1 352 97 97 CYS N N 121.535 0.130 1 353 98 98 GLY H H 8.219 0.003 1 354 98 98 GLY CA C 48.178 0.260 1 355 98 98 GLY N N 108.906 0.130 1 356 99 99 HIS H H 7.362 0.003 1 357 99 99 HIS CA C 57.541 0.260 1 358 99 99 HIS CB C 32.762 0.260 1 359 99 99 HIS N N 123.934 0.130 1 360 100 100 PHE H H 8.129 0.003 1 361 100 100 PHE CA C 62.522 0.260 1 362 100 100 PHE CB C 38.398 0.260 1 363 100 100 PHE N N 119.587 0.130 1 364 105 105 TRP HE1 H 10.342 0.003 1 365 105 105 TRP NE1 N 129.983 0.130 1 366 109 109 SER H H 7.422 0.003 1 367 109 109 SER CA C 61.753 0.260 1 368 109 109 SER CB C 63.222 0.260 1 369 109 109 SER N N 118.151 0.130 1 370 110 110 ARG H H 9.136 0.003 1 371 110 110 ARG CA C 55.630 0.260 1 372 110 110 ARG CB C 32.047 0.260 1 373 110 110 ARG N N 123.946 0.130 1 374 111 111 GLY H H 7.190 0.003 1 375 111 111 GLY CA C 44.443 0.260 1 376 111 111 GLY N N 102.400 0.130 1 377 112 112 VAL H H 8.728 0.003 1 378 112 112 VAL N N 120.905 0.130 1 379 114 114 MET CA C 54.766 0.260 1 380 114 114 MET CB C 34.440 0.260 1 381 115 115 LEU H H 7.845 0.003 1 382 115 115 LEU CA C 54.654 0.260 1 383 115 115 LEU CB C 43.180 0.260 1 384 115 115 LEU N N 124.806 0.130 1 385 116 116 ASN H H 7.346 0.003 1 386 116 116 ASN CA C 52.396 0.260 1 387 116 116 ASN CB C 42.160 0.260 1 388 116 116 ASN N N 114.419 0.130 1 389 117 117 ARG H H 9.179 0.003 1 390 117 117 ARG CA C 56.577 0.260 1 391 117 117 ARG CB C 31.670 0.260 1 392 117 117 ARG N N 120.107 0.130 1 393 118 118 VAL H H 8.834 0.003 1 394 118 118 VAL CA C 67.091 0.260 1 395 118 118 VAL CB C 31.732 0.260 1 396 118 118 VAL N N 121.888 0.130 1 397 121 121 LYS CA C 57.281 0.260 1 398 122 122 GLY H H 8.494 0.003 1 399 122 122 GLY CA C 46.339 0.260 1 400 122 122 GLY N N 106.223 0.130 1 401 123 123 SER H H 7.846 0.003 1 402 123 123 SER CA C 57.880 0.260 1 403 123 123 SER CB C 65.256 0.260 1 404 123 123 SER N N 116.358 0.130 1 405 124 124 LEU H H 8.432 0.003 1 406 124 124 LEU CA C 56.233 0.260 1 407 124 124 LEU CB C 41.738 0.260 1 408 124 124 LEU N N 125.986 0.130 1 409 126 126 CYS CA C 58.690 0.260 1 410 127 127 ALA H H 7.662 0.003 1 411 127 127 ALA CA C 52.149 0.260 1 412 127 127 ALA CB C 18.936 0.260 1 413 127 127 ALA N N 124.198 0.130 1 414 128 128 GLN H H 8.391 0.003 1 415 128 128 GLN CA C 56.156 0.260 1 416 128 128 GLN CB C 26.539 0.260 1 417 128 128 GLN N N 121.090 0.130 1 418 129 129 TYR H H 6.510 0.003 1 419 129 129 TYR CA C 56.957 0.260 1 420 129 129 TYR CB C 38.097 0.260 1 421 129 129 TYR N N 122.805 0.130 1 422 130 130 TRP H H 6.522 0.003 1 423 130 130 TRP HE1 H 9.451 0.003 1 424 130 130 TRP CA C 56.043 0.260 1 425 130 130 TRP CB C 30.560 0.260 1 426 130 130 TRP N N 120.966 0.130 1 427 130 130 TRP NE1 N 129.767 0.130 1 428 137 137 GLU CA C 54.723 0.260 1 429 137 137 GLU CB C 33.443 0.260 1 430 138 138 MET H H 8.791 0.003 1 431 138 138 MET CA C 55.739 0.260 1 432 138 138 MET CB C 38.579 0.260 1 433 138 138 MET N N 121.414 0.130 1 434 139 139 ILE H H 8.088 0.003 1 435 139 139 ILE CA C 60.464 0.260 1 436 139 139 ILE CB C 39.896 0.260 1 437 139 139 ILE N N 122.297 0.130 1 438 140 140 PHE H H 8.839 0.003 1 439 140 140 PHE CA C 57.042 0.260 1 440 140 140 PHE CB C 37.971 0.260 1 441 140 140 PHE N N 128.055 0.130 1 442 141 141 GLU H H 8.908 0.003 1 443 141 141 GLU CA C 59.536 0.260 1 444 141 141 GLU CB C 29.920 0.260 1 445 141 141 GLU N N 124.383 0.130 1 446 142 142 ASP H H 9.013 0.003 1 447 142 142 ASP CA C 56.314 0.260 1 448 142 142 ASP CB C 38.808 0.260 1 449 142 142 ASP N N 116.618 0.130 1 450 143 143 THR H H 7.398 0.003 1 451 143 143 THR CA C 60.903 0.260 1 452 143 143 THR CB C 69.207 0.260 1 453 143 143 THR N N 108.312 0.130 1 454 144 144 ASN H H 7.892 0.003 1 455 144 144 ASN CA C 54.402 0.260 1 456 144 144 ASN CB C 38.129 0.260 1 457 144 144 ASN N N 121.025 0.130 1 458 145 145 LEU H H 7.364 0.003 1 459 145 145 LEU CA C 53.990 0.260 1 460 145 145 LEU CB C 46.424 0.260 1 461 145 145 LEU N N 117.278 0.130 1 462 147 147 LEU H H 9.075 0.003 1 463 147 147 LEU CA C 53.049 0.260 1 464 147 147 LEU CB C 48.391 0.260 1 465 147 147 LEU N N 129.785 0.130 1 466 148 148 THR CA C 61.937 0.260 1 467 148 148 THR CB C 71.701 0.260 1 468 149 149 LEU H H 8.899 0.003 1 469 149 149 LEU CA C 55.871 0.260 1 470 149 149 LEU CB C 42.722 0.260 1 471 149 149 LEU N N 128.202 0.130 1 472 150 150 ILE H H 8.796 0.003 1 473 150 150 ILE CA C 61.769 0.260 1 474 150 150 ILE CB C 36.641 0.260 1 475 150 150 ILE N N 129.922 0.130 1 476 151 151 SER H H 7.722 0.003 1 477 151 151 SER CA C 58.396 0.260 1 478 151 151 SER CB C 65.848 0.260 1 479 151 151 SER N N 111.335 0.130 1 480 152 152 GLU H H 8.556 0.003 1 481 152 152 GLU CA C 56.498 0.260 1 482 152 152 GLU CB C 34.444 0.260 1 483 152 152 GLU N N 120.816 0.130 1 484 153 153 ASP H H 8.715 0.003 1 485 153 153 ASP CA C 53.731 0.260 1 486 153 153 ASP CB C 42.308 0.260 1 487 153 153 ASP N N 127.077 0.130 1 488 154 154 ILE H H 8.476 0.003 1 489 154 154 ILE CA C 62.791 0.260 1 490 154 154 ILE CB C 38.648 0.260 1 491 154 154 ILE N N 127.280 0.130 1 492 155 155 LYS H H 8.091 0.003 1 493 155 155 LYS CA C 54.463 0.260 1 494 155 155 LYS CB C 33.424 0.260 1 495 155 155 LYS N N 128.939 0.130 1 496 157 157 TYR H H 7.003 0.003 1 497 157 157 TYR CA C 56.195 0.260 1 498 157 157 TYR N N 112.219 0.130 1 499 158 158 TYR H H 6.526 0.003 1 500 158 158 TYR CA C 56.613 0.260 1 501 158 158 TYR CB C 41.243 0.260 1 502 158 158 TYR N N 113.308 0.130 1 503 159 159 THR H H 9.385 0.003 1 504 159 159 THR CA C 61.751 0.260 1 505 159 159 THR CB C 73.878 0.260 1 506 159 159 THR N N 117.579 0.130 1 507 160 160 VAL H H 8.643 0.003 1 508 160 160 VAL CA C 60.432 0.260 1 509 160 160 VAL CB C 34.329 0.260 1 510 160 160 VAL N N 126.338 0.130 1 511 167 167 ASN H H 8.135 0.003 1 512 167 167 ASN CA C 52.429 0.260 1 513 167 167 ASN CB C 38.121 0.260 1 514 167 167 ASN N N 124.615 0.130 1 515 168 168 LEU H H 8.211 0.003 1 516 168 168 LEU CA C 57.395 0.260 1 517 168 168 LEU CB C 40.955 0.260 1 518 168 168 LEU N N 126.089 0.130 1 519 169 169 THR H H 8.163 0.003 1 520 169 169 THR CA C 65.784 0.260 1 521 169 169 THR CB C 68.971 0.260 1 522 169 169 THR N N 115.181 0.130 1 523 170 170 THR H H 6.976 0.003 1 524 170 170 THR CA C 62.239 0.260 1 525 170 170 THR CB C 70.536 0.260 1 526 170 170 THR N N 109.485 0.130 1 527 171 171 GLN H H 8.309 0.003 1 528 171 171 GLN CA C 58.507 0.260 1 529 171 171 GLN CB C 26.254 0.260 1 530 171 171 GLN N N 116.775 0.130 1 531 172 172 GLU H H 7.391 0.003 1 532 172 172 GLU CA C 56.784 0.260 1 533 172 172 GLU CB C 33.527 0.260 1 534 172 172 GLU N N 119.638 0.130 1 535 173 173 THR H H 8.385 0.003 1 536 173 173 THR CA C 60.736 0.260 1 537 173 173 THR CB C 72.421 0.260 1 538 173 173 THR N N 113.722 0.130 1 539 177 177 LEU H H 8.484 0.003 1 540 177 177 LEU CA C 57.190 0.260 1 541 177 177 LEU CB C 41.725 0.260 1 542 177 177 LEU N N 119.376 0.130 1 543 178 178 HIS H H 8.037 0.003 1 544 178 178 HIS CA C 57.526 0.260 1 545 178 178 HIS CB C 38.704 0.260 1 546 178 178 HIS N N 117.638 0.130 1 547 180 180 HIS H H 7.908 0.003 1 548 180 180 HIS CA C 58.471 0.260 1 549 180 180 HIS CB C 30.390 0.260 1 550 180 180 HIS N N 123.161 0.130 1 551 181 181 TYR CA C 58.842 0.260 1 552 181 181 TYR CB C 38.520 0.260 1 553 182 182 THR H H 7.601 0.003 1 554 182 182 THR CA C 62.349 0.260 1 555 182 182 THR CB C 68.992 0.260 1 556 182 182 THR N N 116.869 0.130 1 557 183 183 ALA H H 5.328 0.003 1 558 183 183 ALA CA C 51.783 0.260 1 559 183 183 ALA CB C 20.545 0.260 1 560 183 183 ALA N N 121.179 0.130 1 561 184 184 TRP H H 8.540 0.003 1 562 184 184 TRP HE1 H 9.705 0.003 1 563 184 184 TRP CA C 57.163 0.260 1 564 184 184 TRP CB C 28.759 0.260 1 565 184 184 TRP N N 128.054 0.130 1 566 184 184 TRP NE1 N 131.492 0.130 1 567 187 187 PHE H H 7.493 0.003 1 568 187 187 PHE CA C 57.055 0.260 1 569 187 187 PHE CB C 41.291 0.260 1 570 187 187 PHE N N 114.843 0.130 1 571 188 188 GLY H H 8.340 0.003 1 572 188 188 GLY CA C 45.716 0.260 1 573 188 188 GLY N N 110.566 0.130 1 574 189 189 VAL H H 7.907 0.003 1 575 189 189 VAL CA C 58.008 0.260 1 576 189 189 VAL CB C 30.933 0.260 1 577 189 189 VAL N N 114.271 0.130 1 578 191 191 GLU CA C 58.911 0.260 1 579 191 191 GLU CB C 29.999 0.260 1 580 192 192 SER H H 7.672 0.003 1 581 192 192 SER CA C 53.779 0.260 1 582 192 192 SER CB C 65.079 0.260 1 583 192 192 SER N N 111.156 0.130 1 584 193 193 PRO CB C 33.011 0.260 1 585 194 194 ALA H H 8.441 0.003 1 586 194 194 ALA CA C 53.576 0.260 1 587 194 194 ALA CB C 19.361 0.260 1 588 194 194 ALA N N 125.665 0.130 1 589 195 195 SER H H 8.112 0.003 1 590 195 195 SER CA C 59.181 0.260 1 591 195 195 SER CB C 64.099 0.260 1 592 195 195 SER N N 114.298 0.130 1 593 201 201 PHE H H 8.113 0.003 1 594 201 201 PHE CA C 61.920 0.260 1 595 201 201 PHE CB C 40.221 0.260 1 596 201 201 PHE N N 127.681 0.130 1 597 202 202 LYS H H 7.396 0.003 1 598 202 202 LYS CA C 57.971 0.260 1 599 202 202 LYS CB C 28.392 0.260 1 600 202 202 LYS N N 113.071 0.130 1 601 203 203 VAL H H 7.733 0.003 1 602 203 203 VAL CA C 66.857 0.260 1 603 203 203 VAL N N 121.608 0.130 1 604 204 204 ARG H H 8.366 0.003 1 605 204 204 ARG CA C 60.446 0.260 1 606 204 204 ARG CB C 31.620 0.260 1 607 204 204 ARG N N 120.837 0.130 1 608 205 205 GLU H H 8.366 0.003 1 609 205 205 GLU CA C 59.150 0.260 1 610 205 205 GLU CB C 30.028 0.260 1 611 205 205 GLU N N 120.888 0.130 1 612 206 206 SER H H 7.319 0.003 1 613 206 206 SER CA C 60.789 0.260 1 614 206 206 SER CB C 66.460 0.260 1 615 206 206 SER N N 112.334 0.130 1 616 207 207 GLY H H 7.583 0.003 1 617 207 207 GLY CA C 46.616 0.260 1 618 207 207 GLY N N 110.330 0.130 1 619 208 208 SER H H 7.778 0.003 1 620 208 208 SER CA C 63.686 0.260 1 621 208 208 SER CB C 64.519 0.260 1 622 208 208 SER N N 114.182 0.130 1 623 209 209 LEU H H 8.173 0.003 1 624 209 209 LEU CA C 54.641 0.260 1 625 209 209 LEU CB C 40.603 0.260 1 626 209 209 LEU N N 116.446 0.130 1 627 210 210 SER H H 7.297 0.003 1 628 210 210 SER CA C 57.441 0.260 1 629 210 210 SER CB C 63.995 0.260 1 630 210 210 SER N N 116.357 0.130 1 631 211 211 PRO CA C 64.987 0.260 1 632 211 211 PRO CB C 31.468 0.260 1 633 212 212 GLU H H 8.081 0.003 1 634 212 212 GLU CA C 58.073 0.260 1 635 212 212 GLU CB C 28.895 0.260 1 636 212 212 GLU N N 117.892 0.130 1 637 213 213 HIS H H 7.392 0.003 1 638 213 213 HIS CA C 54.603 0.260 1 639 213 213 HIS CB C 34.064 0.260 1 640 213 213 HIS N N 118.934 0.130 1 641 214 214 GLY H H 7.209 0.003 1 642 214 214 GLY CA C 44.991 0.260 1 643 214 214 GLY N N 104.790 0.130 1 644 215 215 PRO CA C 63.198 0.260 1 645 216 216 VAL H H 8.928 0.003 1 646 216 216 VAL CA C 61.215 0.260 1 647 216 216 VAL CB C 31.696 0.260 1 648 216 216 VAL N N 125.849 0.130 1 649 217 217 VAL H H 7.595 0.003 1 650 217 217 VAL CA C 61.899 0.260 1 651 217 217 VAL CB C 32.448 0.260 1 652 217 217 VAL N N 126.633 0.130 1 653 218 218 VAL H H 9.547 0.003 1 654 218 218 VAL CA C 60.911 0.260 1 655 218 218 VAL CB C 33.872 0.260 1 656 218 218 VAL N N 129.310 0.130 1 657 219 219 HIS H H 9.108 0.003 1 658 219 219 HIS CA C 56.092 0.260 1 659 219 219 HIS CB C 34.986 0.260 1 660 219 219 HIS N N 121.763 0.130 1 661 220 220 CYS H H 6.034 0.003 1 662 220 220 CYS CA C 57.414 0.260 1 663 220 220 CYS CB C 29.135 0.260 1 664 220 220 CYS N N 120.465 0.130 1 665 222 222 ALA CA C 52.223 0.260 1 666 222 222 ALA CB C 20.812 0.260 1 667 223 223 GLY H H 8.715 0.003 1 668 223 223 GLY CA C 48.230 0.260 1 669 223 223 GLY N N 112.287 0.130 1 670 224 224 ILE H H 7.189 0.003 1 671 224 224 ILE CA C 62.073 0.260 1 672 224 224 ILE CB C 40.724 0.260 1 673 224 224 ILE N N 108.055 0.130 1 674 225 225 GLY CA C 48.298 0.260 1 675 226 226 ARG H H 8.475 0.003 1 676 226 226 ARG CA C 60.425 0.260 1 677 226 226 ARG CB C 30.255 0.260 1 678 226 226 ARG N N 130.585 0.130 1 679 228 228 GLY H H 6.334 0.003 1 680 228 228 GLY CA C 47.785 0.260 1 681 228 228 GLY N N 106.645 0.130 1 682 229 229 THR H H 7.694 0.003 1 683 229 229 THR CA C 67.629 0.260 1 684 229 229 THR CB C 69.036 0.260 1 685 229 229 THR N N 117.534 0.130 1 686 230 230 PHE H H 7.538 0.003 1 687 230 230 PHE CA C 63.151 0.260 1 688 230 230 PHE CB C 40.427 0.260 1 689 230 230 PHE N N 120.424 0.130 1 690 231 231 CYS H H 7.362 0.003 1 691 231 231 CYS CA C 62.916 0.260 1 692 231 231 CYS CB C 26.998 0.260 1 693 231 231 CYS N N 115.646 0.130 1 694 232 232 LEU H H 8.459 0.003 1 695 232 232 LEU CA C 58.861 0.260 1 696 232 232 LEU CB C 43.038 0.260 1 697 232 232 LEU N N 121.702 0.130 1 698 233 233 ALA H H 8.059 0.003 1 699 233 233 ALA CA C 55.533 0.260 1 700 233 233 ALA CB C 16.538 0.260 1 701 233 233 ALA N N 120.102 0.130 1 702 234 234 ASP H H 7.479 0.003 1 703 234 234 ASP CA C 58.814 0.260 1 704 234 234 ASP CB C 41.772 0.260 1 705 234 234 ASP N N 114.240 0.130 1 706 235 235 THR H H 8.452 0.003 1 707 235 235 THR CA C 69.530 0.260 1 708 235 235 THR CB C 68.033 0.260 1 709 235 235 THR N N 114.572 0.130 1 710 236 236 CYS H H 8.312 0.003 1 711 236 236 CYS CA C 66.582 0.260 1 712 236 236 CYS CB C 28.068 0.260 1 713 236 236 CYS N N 117.859 0.130 1 714 237 237 LEU H H 7.829 0.003 1 715 237 237 LEU CA C 58.552 0.260 1 716 237 237 LEU CB C 41.203 0.260 1 717 237 237 LEU N N 117.516 0.130 1 718 238 238 LEU H H 7.830 0.003 1 719 238 238 LEU CA C 58.509 0.260 1 720 238 238 LEU CB C 41.721 0.260 1 721 238 238 LEU N N 118.174 0.130 1 722 239 239 LEU H H 7.784 0.003 1 723 239 239 LEU CA C 58.483 0.260 1 724 239 239 LEU CB C 42.497 0.260 1 725 239 239 LEU N N 122.207 0.130 1 726 240 240 MET H H 7.829 0.003 1 727 240 240 MET CA C 60.139 0.260 1 728 240 240 MET CB C 33.443 0.260 1 729 240 240 MET N N 117.348 0.130 1 730 241 241 ASP H H 7.095 0.003 1 731 241 241 ASP CA C 56.616 0.260 1 732 241 241 ASP CB C 42.812 0.260 1 733 241 241 ASP N N 116.962 0.130 1 734 242 242 LYS H H 7.930 0.003 1 735 242 242 LYS CA C 58.833 0.260 1 736 242 242 LYS CB C 33.594 0.260 1 737 242 242 LYS N N 117.990 0.130 1 738 243 243 ARG H H 7.913 0.003 1 739 243 243 ARG CA C 57.249 0.260 1 740 243 243 ARG CB C 31.282 0.260 1 741 243 243 ARG N N 117.309 0.130 1 742 246 246 PRO CA C 65.262 0.260 1 743 246 246 PRO CB C 32.593 0.260 1 744 247 247 SER H H 8.030 0.003 1 745 247 247 SER CA C 60.820 0.260 1 746 247 247 SER CB C 63.625 0.260 1 747 247 247 SER N N 113.050 0.130 1 748 248 248 SER H H 7.587 0.003 1 749 248 248 SER CA C 59.713 0.260 1 750 248 248 SER CB C 64.815 0.260 1 751 248 248 SER N N 115.326 0.130 1 752 249 249 VAL H H 7.120 0.003 1 753 249 249 VAL CA C 63.853 0.260 1 754 249 249 VAL CB C 31.982 0.260 1 755 249 249 VAL N N 123.705 0.130 1 756 250 250 ASP H H 8.348 0.003 1 757 250 250 ASP CA C 52.300 0.260 1 758 250 250 ASP CB C 42.258 0.260 1 759 250 250 ASP N N 129.537 0.130 1 760 251 251 ILE H H 8.358 0.003 1 761 251 251 ILE CA C 65.939 0.260 1 762 251 251 ILE CB C 38.158 0.260 1 763 251 251 ILE N N 126.558 0.130 1 764 252 252 LYS H H 7.772 0.003 1 765 252 252 LYS CA C 60.886 0.260 1 766 252 252 LYS CB C 31.032 0.260 1 767 252 252 LYS N N 118.342 0.130 1 768 253 253 LYS H H 7.073 0.003 1 769 253 253 LYS CA C 59.883 0.260 1 770 253 253 LYS CB C 32.556 0.260 1 771 253 253 LYS N N 117.609 0.130 1 772 254 254 VAL H H 7.994 0.003 1 773 254 254 VAL CA C 67.040 0.260 1 774 254 254 VAL CB C 31.477 0.260 1 775 254 254 VAL N N 121.898 0.130 1 776 255 255 LEU H H 8.319 0.003 1 777 255 255 LEU CA C 58.865 0.260 1 778 255 255 LEU N N 120.940 0.130 1 779 256 256 LEU H H 8.130 0.003 1 780 256 256 LEU CA C 59.185 0.260 1 781 256 256 LEU CB C 41.459 0.260 1 782 256 256 LEU N N 119.184 0.130 1 783 259 259 ARG H H 8.483 0.003 1 784 259 259 ARG CA C 58.638 0.260 1 785 259 259 ARG CB C 30.607 0.260 1 786 259 259 ARG N N 118.028 0.130 1 787 260 260 LYS H H 7.559 0.003 1 788 260 260 LYS CA C 59.434 0.260 1 789 260 260 LYS CB C 31.783 0.260 1 790 260 260 LYS N N 119.230 0.130 1 791 261 261 PHE H H 8.096 0.003 1 792 261 261 PHE CA C 59.974 0.260 1 793 261 261 PHE CB C 41.613 0.260 1 794 261 261 PHE N N 112.962 0.130 1 795 262 262 ARG H H 7.402 0.003 1 796 262 262 ARG CA C 57.151 0.260 1 797 262 262 ARG CB C 32.599 0.260 1 798 262 262 ARG N N 120.822 0.130 1 799 263 263 MET H H 8.321 0.003 1 800 263 263 MET CA C 55.931 0.260 1 801 263 263 MET CB C 32.555 0.260 1 802 263 263 MET N N 122.615 0.130 1 803 264 264 GLY H H 8.723 0.003 1 804 264 264 GLY CA C 47.114 0.260 1 805 264 264 GLY N N 101.895 0.130 1 806 265 265 LEU H H 6.298 0.003 1 807 265 265 LEU CA C 56.355 0.260 1 808 265 265 LEU CB C 41.873 0.260 1 809 265 265 LEU N N 115.176 0.130 1 810 266 266 ILE H H 8.305 0.003 1 811 266 266 ILE CA C 65.310 0.260 1 812 266 266 ILE CB C 41.831 0.260 1 813 266 266 ILE N N 115.923 0.130 1 814 267 267 GLN H H 8.665 0.003 1 815 267 267 GLN CA C 58.072 0.260 1 816 267 267 GLN CB C 33.184 0.260 1 817 267 267 GLN N N 126.300 0.130 1 818 268 268 THR H H 6.591 0.003 1 819 268 268 THR CA C 58.414 0.260 1 820 268 268 THR CB C 73.839 0.260 1 821 268 268 THR N N 105.202 0.130 1 822 269 269 ALA H H 8.550 0.003 1 823 269 269 ALA CA C 55.038 0.260 1 824 269 269 ALA CB C 17.638 0.260 1 825 269 269 ALA N N 123.721 0.130 1 826 270 270 ASP H H 7.783 0.003 1 827 270 270 ASP CA C 57.323 0.260 1 828 270 270 ASP CB C 40.247 0.260 1 829 270 270 ASP N N 116.406 0.130 1 830 271 271 GLN H H 7.742 0.003 1 831 271 271 GLN CA C 59.648 0.260 1 832 271 271 GLN CB C 28.756 0.260 1 833 271 271 GLN N N 120.061 0.130 1 834 272 272 LEU H H 7.532 0.003 1 835 272 272 LEU CA C 59.049 0.260 1 836 272 272 LEU CB C 41.299 0.260 1 837 272 272 LEU N N 124.398 0.130 1 838 273 273 ARG H H 7.814 0.003 1 839 273 273 ARG CA C 60.205 0.260 1 840 273 273 ARG CB C 29.071 0.260 1 841 273 273 ARG N N 121.435 0.130 1 842 274 274 PHE H H 8.121 0.003 1 843 274 274 PHE CA C 62.441 0.260 1 844 274 274 PHE CB C 39.884 0.260 1 845 274 274 PHE N N 117.847 0.130 1 846 275 275 SER H H 7.899 0.003 1 847 275 275 SER CB C 63.449 0.260 1 848 275 275 SER N N 115.647 0.130 1 849 277 277 LEU H H 8.329 0.003 1 850 277 277 LEU CA C 58.334 0.260 1 851 277 277 LEU CB C 42.018 0.260 1 852 277 277 LEU N N 119.115 0.130 1 853 278 278 ALA H H 8.424 0.003 1 854 278 278 ALA CA C 55.173 0.260 1 855 278 278 ALA CB C 16.684 0.260 1 856 278 278 ALA N N 119.715 0.130 1 857 279 279 VAL H H 7.705 0.003 1 858 279 279 VAL CA C 67.511 0.260 1 859 279 279 VAL CB C 30.908 0.260 1 860 279 279 VAL N N 118.485 0.130 1 861 280 280 ILE H H 8.387 0.003 1 862 280 280 ILE CA C 66.632 0.260 1 863 280 280 ILE CB C 38.599 0.260 1 864 280 280 ILE N N 119.929 0.130 1 865 281 281 GLU CA C 59.262 0.260 1 866 281 281 GLU CB C 28.868 0.260 1 867 282 282 GLY H H 8.618 0.003 1 868 282 282 GLY CA C 48.373 0.260 1 869 282 282 GLY N N 110.015 0.130 1 870 283 283 ALA H H 8.494 0.003 1 871 283 283 ALA CA C 55.419 0.260 1 872 283 283 ALA CB C 18.594 0.260 1 873 283 283 ALA N N 125.406 0.130 1 874 284 284 LYS H H 7.415 0.003 1 875 284 284 LYS CA C 59.720 0.260 1 876 284 284 LYS CB C 32.251 0.260 1 877 284 284 LYS N N 116.450 0.130 1 878 285 285 PHE H H 7.563 0.003 1 879 285 285 PHE CA C 60.568 0.260 1 880 285 285 PHE CB C 39.384 0.260 1 881 285 285 PHE N N 118.344 0.130 1 882 286 286 ILE H H 7.817 0.003 1 883 286 286 ILE CA C 63.532 0.260 1 884 286 286 ILE CB C 38.591 0.260 1 885 286 286 ILE N N 118.120 0.130 1 886 287 287 MET H H 8.008 0.003 1 887 287 287 MET CA C 56.430 0.260 1 888 287 287 MET CB C 32.518 0.260 1 889 287 287 MET N N 118.721 0.130 1 890 288 288 GLY H H 7.554 0.003 1 891 288 288 GLY CA C 46.105 0.260 1 892 288 288 GLY N N 108.364 0.130 1 893 289 289 ASP H H 8.011 0.003 1 894 289 289 ASP CA C 54.724 0.260 1 895 289 289 ASP CB C 41.809 0.260 1 896 289 289 ASP N N 120.873 0.130 1 897 290 290 SER H H 8.263 0.003 1 898 290 290 SER CA C 59.906 0.260 1 899 290 290 SER CB C 63.804 0.260 1 900 290 290 SER N N 118.291 0.130 1 901 291 291 SER H H 8.330 0.003 1 902 291 291 SER CA C 60.158 0.260 1 903 291 291 SER CB C 63.847 0.260 1 904 291 291 SER N N 118.572 0.130 1 905 292 292 VAL H H 7.724 0.003 1 906 292 292 VAL CA C 63.799 0.260 1 907 292 292 VAL CB C 32.139 0.260 1 908 292 292 VAL N N 121.406 0.130 1 909 293 293 GLN H H 8.331 0.003 1 910 293 293 GLN CA C 55.740 0.260 1 911 293 293 GLN CB C 29.943 0.260 1 912 293 293 GLN N N 119.468 0.130 1 913 294 294 ASP H H 8.073 0.003 1 914 294 294 ASP CA C 55.410 0.260 1 915 294 294 ASP CB C 40.487 0.260 1 916 294 294 ASP N N 125.862 0.130 1 917 295 295 GLN H H 7.927 0.003 1 918 295 295 GLN CA C 57.565 0.260 1 919 295 295 GLN CB C 28.888 0.260 1 920 295 295 GLN N N 120.066 0.130 1 921 296 296 TRP H H 7.947 0.003 1 922 296 296 TRP HE1 H 10.092 0.003 1 923 296 296 TRP CA C 58.390 0.260 1 924 296 296 TRP CB C 29.188 0.260 1 925 296 296 TRP N N 121.155 0.130 1 926 296 296 TRP NE1 N 129.809 0.130 1 927 297 297 LYS H H 7.648 0.003 1 928 297 297 LYS CA C 57.906 0.260 1 929 297 297 LYS CB C 32.895 0.260 1 930 297 297 LYS N N 122.323 0.130 1 931 298 298 GLU H H 8.009 0.003 1 932 298 298 GLU CA C 57.627 0.260 1 933 298 298 GLU CB C 30.001 0.260 1 934 298 298 GLU N N 121.046 0.130 1 935 299 299 LEU H H 7.962 0.003 1 936 299 299 LEU CA C 55.977 0.260 1 937 299 299 LEU CB C 42.142 0.260 1 938 299 299 LEU N N 122.507 0.130 1 939 300 300 SER H H 8.078 0.003 1 940 300 300 SER CA C 58.905 0.260 1 941 300 300 SER CB C 64.140 0.260 1 942 300 300 SER N N 116.140 0.130 1 943 301 301 HIS H H 8.412 0.003 1 944 301 301 HIS CA C 57.142 0.260 1 945 301 301 HIS CB C 33.952 0.260 1 946 301 301 HIS N N 122.957 0.130 1 947 302 302 GLU CA C 57.437 0.260 1 948 302 302 GLU CB C 30.380 0.260 1 949 303 303 ASP H H 8.256 0.003 1 950 303 303 ASP CA C 55.054 0.260 1 951 303 303 ASP CB C 41.437 0.260 1 952 303 303 ASP N N 121.402 0.130 1 953 304 304 LEU H H 7.888 0.003 1 954 304 304 LEU CA C 55.397 0.260 1 955 304 304 LEU CB C 42.484 0.260 1 956 304 304 LEU N N 122.654 0.130 1 957 305 305 GLU H H 8.047 0.003 1 958 305 305 GLU CA C 54.841 0.260 1 959 305 305 GLU CB C 29.847 0.260 1 960 305 305 GLU N N 122.762 0.130 1 stop_ save_