data_26837 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N chemical shift assignments for Protein Tyrosine Phosphatase 1B N193A variant. ; _BMRB_accession_number 26837 _BMRB_flat_file_name bmr26837.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" 233 "13C chemical shifts" 467 "15N chemical shifts" 233 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-20 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 19224 . 26835 'Protein Phosphatase 1B T178A variant' 26836 'Protein Tyrosine Phosphatase 1B L192A 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 Chritopher 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 Tyrosine Phosphatase 1B N193A variant' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Protein Tyrosine Phosphatase 1B N193A variant' $PTP1B_N193A_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_N193A_mutant _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PTP1B_N193A_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 YTTWPDFGVPESPASFLAFL 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 THR 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 ALA 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_N193A_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_N193A_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_N193A_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_N193A_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 Tyrosine Phosphatase 1B N193A 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 7.787 0.003 1 2 5 5 SER CA C 60.841 0.260 1 3 5 5 SER CB C 62.175 0.260 1 4 5 5 SER N N 114.331 0.130 1 5 6 6 MET H H 8.681 0.003 1 6 6 6 MET CA C 59.370 0.260 1 7 6 6 MET CB C 32.801 0.260 1 8 6 6 MET N N 119.234 0.130 1 9 7 7 GLU H H 7.914 0.003 1 10 7 7 GLU CA C 59.371 0.260 1 11 7 7 GLU CB C 29.434 0.260 1 12 7 7 GLU N N 119.699 0.130 1 13 8 8 MET H H 7.706 0.003 1 14 8 8 MET CA C 58.995 0.260 1 15 8 8 MET CB C 30.975 0.260 1 16 8 8 MET N N 120.878 0.130 1 17 10 10 LYS H H 8.379 0.003 1 18 10 10 LYS CA C 59.174 0.260 1 19 10 10 LYS N N 120.029 0.130 1 20 11 11 GLU H H 8.218 0.003 1 21 11 11 GLU CA C 58.989 0.260 1 22 11 11 GLU CB C 29.264 0.260 1 23 11 11 GLU N N 121.593 0.130 1 24 12 12 PHE H H 8.518 0.003 1 25 12 12 PHE CA C 61.837 0.260 1 26 12 12 PHE CB C 39.429 0.260 1 27 12 12 PHE N N 119.664 0.130 1 28 13 13 GLU H H 8.232 0.003 1 29 13 13 GLU CA C 59.002 0.260 1 30 13 13 GLU CB C 28.960 0.260 1 31 13 13 GLU N N 117.878 0.130 1 32 14 14 GLN H H 7.774 0.003 1 33 14 14 GLN CA C 58.550 0.260 1 34 14 14 GLN CB C 27.502 0.260 1 35 14 14 GLN N N 119.235 0.130 1 36 15 15 ILE H H 8.166 0.003 1 37 15 15 ILE CA C 64.498 0.260 1 38 15 15 ILE CB C 37.577 0.260 1 39 15 15 ILE N N 122.959 0.130 1 40 16 16 ASP H H 8.417 0.003 1 41 16 16 ASP CA C 57.010 0.260 1 42 16 16 ASP CB C 40.790 0.260 1 43 16 16 ASP N N 119.545 0.130 1 44 17 17 LYS H H 8.370 0.003 1 45 17 17 LYS CA C 58.416 0.260 1 46 17 17 LYS CB C 31.357 0.260 1 47 17 17 LYS N N 118.423 0.130 1 48 18 18 SER H H 7.544 0.003 1 49 18 18 SER CA C 58.146 0.260 1 50 18 18 SER CB C 63.800 0.260 1 51 18 18 SER N N 111.575 0.130 1 52 19 19 GLY H H 7.821 0.003 1 53 19 19 GLY CA C 46.545 0.260 1 54 19 19 GLY N N 113.332 0.130 1 55 20 20 SER H H 7.802 0.003 1 56 20 20 SER CA C 58.110 0.260 1 57 20 20 SER CB C 62.871 0.260 1 58 20 20 SER N N 111.648 0.130 1 59 21 21 TRP H H 7.128 0.003 1 60 21 21 TRP HE1 H 11.028 0.003 1 61 21 21 TRP CA C 60.088 0.260 1 62 21 21 TRP CB C 28.395 0.260 1 63 21 21 TRP N N 121.969 0.130 1 64 21 21 TRP NE1 N 130.953 0.130 1 65 22 22 ALA H H 8.686 0.003 1 66 22 22 ALA CA C 55.142 0.260 1 67 22 22 ALA CB C 16.880 0.260 1 68 22 22 ALA N N 119.625 0.130 1 69 23 23 ALA H H 7.639 0.003 1 70 23 23 ALA CA C 54.708 0.260 1 71 23 23 ALA CB C 17.230 0.260 1 72 23 23 ALA N N 122.942 0.130 1 73 24 24 ILE H H 7.922 0.003 1 74 24 24 ILE CA C 62.932 0.260 1 75 24 24 ILE CB C 36.302 0.260 1 76 24 24 ILE N N 119.619 0.130 1 77 25 25 TYR H H 8.535 0.003 1 78 25 25 TYR CA C 61.972 0.260 1 79 25 25 TYR CB C 37.954 0.260 1 80 25 25 TYR N N 120.353 0.130 1 81 26 26 GLN H H 8.136 0.003 1 82 26 26 GLN CA C 57.992 0.260 1 83 26 26 GLN CB C 26.961 0.260 1 84 26 26 GLN N N 118.333 0.130 1 85 27 27 ASP H H 7.786 0.003 1 86 27 27 ASP CA C 57.394 0.260 1 87 27 27 ASP CB C 39.518 0.260 1 88 27 27 ASP N N 120.943 0.130 1 89 28 28 ILE H H 7.633 0.003 1 90 28 28 ILE CA C 64.541 0.260 1 91 28 28 ILE CB C 36.311 0.260 1 92 28 28 ILE N N 120.582 0.130 1 93 29 29 ARG H H 7.673 0.003 1 94 29 29 ARG CA C 59.492 0.260 1 95 29 29 ARG CB C 28.976 0.260 1 96 29 29 ARG N N 117.886 0.130 1 97 30 30 HIS H H 8.118 0.003 1 98 30 30 HIS CA C 57.886 0.260 1 99 30 30 HIS CB C 29.160 0.260 1 100 30 30 HIS N N 116.792 0.130 1 101 31 31 GLU H H 7.760 0.003 1 102 31 31 GLU CA C 55.942 0.260 1 103 31 31 GLU CB C 30.055 0.260 1 104 31 31 GLU N N 117.967 0.130 1 105 32 32 ALA H H 7.388 0.003 1 106 32 32 ALA CA C 52.453 0.260 1 107 32 32 ALA CB C 18.504 0.260 1 108 32 32 ALA N N 123.509 0.130 1 109 33 33 SER H H 7.952 0.003 1 110 33 33 SER CA C 64.207 0.260 1 111 33 33 SER N N 117.382 0.130 1 112 34 34 ASP H H 8.062 0.003 1 113 34 34 ASP CA C 53.189 0.260 1 114 34 34 ASP CB C 42.787 0.260 1 115 34 34 ASP N N 122.705 0.130 1 116 35 35 PHE H H 6.749 0.003 1 117 35 35 PHE CA C 54.863 0.260 1 118 35 35 PHE CB C 40.177 0.260 1 119 35 35 PHE N N 119.737 0.130 1 120 36 36 PRO CA C 63.958 0.260 1 121 36 36 PRO CB C 32.049 0.260 1 122 37 37 CYS H H 9.131 0.003 1 123 37 37 CYS CA C 56.005 0.260 1 124 37 37 CYS CB C 27.921 0.260 1 125 37 37 CYS N N 126.524 0.130 1 126 38 38 ARG H H 9.488 0.003 1 127 38 38 ARG CA C 59.453 0.260 1 128 38 38 ARG CB C 29.802 0.260 1 129 38 38 ARG N N 121.966 0.130 1 130 39 39 VAL H H 9.497 0.003 1 131 39 39 VAL CA C 66.509 0.260 1 132 39 39 VAL CB C 29.694 0.260 1 133 39 39 VAL N N 121.556 0.130 1 134 40 40 ALA H H 8.513 0.003 1 135 40 40 ALA CA C 54.259 0.260 1 136 40 40 ALA CB C 20.341 0.260 1 137 40 40 ALA N N 121.764 0.130 1 138 41 41 LYS H H 6.772 0.003 1 139 41 41 LYS CA C 54.826 0.260 1 140 41 41 LYS CB C 32.001 0.260 1 141 41 41 LYS N N 111.371 0.130 1 142 42 42 LEU H H 7.460 0.003 1 143 42 42 LEU CA C 53.775 0.260 1 144 42 42 LEU CB C 40.240 0.260 1 145 42 42 LEU N N 123.744 0.130 1 146 44 44 LYS H H 8.102 0.003 1 147 44 44 LYS CA C 57.478 0.260 1 148 44 44 LYS CB C 30.594 0.260 1 149 44 44 LYS N N 114.228 0.130 1 150 45 45 ASN H H 7.719 0.003 1 151 45 45 ASN CA C 52.595 0.260 1 152 45 45 ASN CB C 38.825 0.260 1 153 45 45 ASN N N 117.053 0.130 1 154 46 46 LYS H H 7.382 0.003 1 155 46 46 LYS CA C 60.390 0.260 1 156 46 46 LYS CB C 31.624 0.260 1 157 46 46 LYS N N 123.669 0.130 1 158 47 47 ASN H H 8.373 0.003 1 159 47 47 ASN CA C 52.699 0.260 1 160 47 47 ASN CB C 36.327 0.260 1 161 47 47 ASN N N 113.791 0.130 1 162 48 48 ARG H H 7.863 0.003 1 163 48 48 ARG CA C 55.721 0.260 1 164 48 48 ARG CB C 30.549 0.260 1 165 48 48 ARG N N 115.314 0.130 1 166 49 49 ASN H H 7.463 0.003 1 167 49 49 ASN CA C 52.135 0.260 1 168 49 49 ASN CB C 40.843 0.260 1 169 49 49 ASN N N 120.051 0.130 1 170 50 50 ARG H H 9.168 0.003 1 171 50 50 ARG CA C 58.731 0.260 1 172 50 50 ARG CB C 30.186 0.260 1 173 50 50 ARG N N 126.266 0.130 1 174 51 51 TYR H H 9.421 0.003 1 175 51 51 TYR CA C 55.785 0.260 1 176 51 51 TYR CB C 39.585 0.260 1 177 51 51 TYR N N 117.586 0.130 1 178 52 52 ARG CA C 57.833 0.260 1 179 52 52 ARG CB C 29.113 0.260 1 180 53 53 ASP H H 8.570 0.003 1 181 53 53 ASP CA C 53.005 0.260 1 182 53 53 ASP CB C 39.735 0.260 1 183 53 53 ASP N N 113.333 0.130 1 184 54 54 VAL H H 6.983 0.003 1 185 54 54 VAL CA C 62.339 0.260 1 186 54 54 VAL CB C 31.785 0.260 1 187 54 54 VAL N N 119.693 0.130 1 188 55 55 SER H H 7.925 0.003 1 189 55 55 SER CA C 55.333 0.260 1 190 55 55 SER CB C 64.382 0.260 1 191 55 55 SER N N 123.713 0.130 1 192 56 56 PRO CA C 61.572 0.260 1 193 56 56 PRO CB C 31.552 0.260 1 194 57 57 PHE H H 7.218 0.003 1 195 57 57 PHE CA C 55.328 0.260 1 196 57 57 PHE CB C 38.727 0.260 1 197 57 57 PHE N N 124.675 0.130 1 198 58 58 ASP H H 9.264 0.003 1 199 58 58 ASP CA C 58.556 0.260 1 200 58 58 ASP CB C 40.079 0.260 1 201 58 58 ASP N N 124.783 0.130 1 202 59 59 HIS H H 9.005 0.003 1 203 59 59 HIS CA C 58.924 0.260 1 204 59 59 HIS CB C 29.556 0.260 1 205 59 59 HIS N N 115.664 0.130 1 206 60 60 SER H H 6.333 0.003 1 207 60 60 SER CA C 55.264 0.260 1 208 60 60 SER CB C 63.320 0.260 1 209 60 60 SER N N 108.499 0.130 1 210 61 61 ARG H H 7.279 0.003 1 211 61 61 ARG CA C 55.287 0.260 1 212 61 61 ARG CB C 27.863 0.260 1 213 61 61 ARG N N 123.279 0.130 1 214 62 62 ILE H H 7.109 0.003 1 215 62 62 ILE CA C 56.987 0.260 1 216 62 62 ILE CB C 35.285 0.260 1 217 62 62 ILE N N 122.281 0.130 1 218 63 63 LYS H H 8.506 0.003 1 219 63 63 LYS CA C 54.804 0.260 1 220 63 63 LYS CB C 32.093 0.260 1 221 63 63 LYS N N 127.837 0.130 1 222 64 64 LEU H H 9.210 0.003 1 223 64 64 LEU CA C 53.835 0.260 1 224 64 64 LEU CB C 41.397 0.260 1 225 64 64 LEU N N 125.637 0.130 1 226 65 65 HIS H H 9.544 0.003 1 227 65 65 HIS CA C 53.831 0.260 1 228 65 65 HIS CB C 26.533 0.260 1 229 65 65 HIS N N 124.249 0.130 1 230 66 66 GLN H H 7.423 0.003 1 231 66 66 GLN CA C 54.215 0.260 1 232 66 66 GLN CB C 30.750 0.260 1 233 66 66 GLN N N 119.858 0.130 1 234 67 67 GLU H H 8.442 0.003 1 235 67 67 GLU CA C 57.922 0.260 1 236 67 67 GLU CB C 29.557 0.260 1 237 67 67 GLU N N 121.138 0.130 1 238 68 68 ASP H H 8.299 0.003 1 239 68 68 ASP CA C 56.293 0.260 1 240 68 68 ASP CB C 40.591 0.260 1 241 68 68 ASP N N 118.781 0.130 1 242 69 69 ASN H H 7.441 0.003 1 243 69 69 ASN CA C 53.083 0.260 1 244 69 69 ASN CB C 37.413 0.260 1 245 69 69 ASN N N 114.321 0.130 1 246 70 70 ASP H H 8.117 0.003 1 247 70 70 ASP CA C 52.958 0.260 1 248 70 70 ASP CB C 41.260 0.260 1 249 70 70 ASP N N 126.261 0.130 1 250 71 71 TYR H H 7.990 0.003 1 251 71 71 TYR CA C 60.557 0.260 1 252 71 71 TYR CB C 38.390 0.260 1 253 71 71 TYR N N 118.841 0.130 1 254 72 72 ILE H H 7.686 0.003 1 255 72 72 ILE CA C 58.577 0.260 1 256 72 72 ILE CB C 41.336 0.260 1 257 72 72 ILE N N 125.417 0.130 1 258 73 73 ASN H H 8.164 0.003 1 259 73 73 ASN CA C 52.133 0.260 1 260 73 73 ASN CB C 35.401 0.260 1 261 73 73 ASN N N 125.729 0.130 1 262 74 74 ALA H H 7.748 0.003 1 263 74 74 ALA CA C 51.549 0.260 1 264 74 74 ALA CB C 22.389 0.260 1 265 74 74 ALA N N 129.409 0.130 1 266 75 75 SER H H 8.934 0.003 1 267 75 75 SER CA C 57.154 0.260 1 268 75 75 SER CB C 66.608 0.260 1 269 75 75 SER N N 116.919 0.130 1 270 76 76 LEU H H 8.886 0.003 1 271 76 76 LEU CA C 53.911 0.260 1 272 76 76 LEU CB C 41.498 0.260 1 273 76 76 LEU N N 127.210 0.130 1 274 77 77 ILE H H 9.466 0.003 1 275 77 77 ILE CA C 60.166 0.260 1 276 77 77 ILE CB C 36.956 0.260 1 277 77 77 ILE N N 128.225 0.130 1 278 78 78 LYS CA C 54.593 0.260 1 279 78 78 LYS CB C 32.872 0.260 1 280 79 79 MET H H 8.258 0.003 1 281 79 79 MET CA C 51.732 0.260 1 282 79 79 MET CB C 29.154 0.260 1 283 79 79 MET N N 124.199 0.130 1 284 80 80 GLU H H 8.417 0.003 1 285 80 80 GLU CA C 59.862 0.260 1 286 80 80 GLU CB C 29.043 0.260 1 287 80 80 GLU N N 126.342 0.130 1 288 81 81 GLU H H 8.899 0.003 1 289 81 81 GLU CA C 58.856 0.260 1 290 81 81 GLU CB C 28.197 0.260 1 291 81 81 GLU N N 121.735 0.130 1 292 82 82 ALA H H 7.380 0.003 1 293 82 82 ALA CA C 52.043 0.260 1 294 82 82 ALA CB C 18.313 0.260 1 295 82 82 ALA N N 117.369 0.130 1 296 83 83 GLN H H 7.684 0.003 1 297 83 83 GLN CA C 55.824 0.260 1 298 83 83 GLN CB C 25.696 0.260 1 299 83 83 GLN N N 112.434 0.130 1 300 84 84 ARG H H 7.198 0.003 1 301 84 84 ARG CA C 53.648 0.260 1 302 84 84 ARG CB C 35.090 0.260 1 303 84 84 ARG N N 117.931 0.130 1 304 85 85 SER H H 7.729 0.003 1 305 85 85 SER CA C 56.290 0.260 1 306 85 85 SER CB C 65.643 0.260 1 307 85 85 SER N N 118.628 0.130 1 308 86 86 TYR H H 8.570 0.003 1 309 86 86 TYR CA C 54.799 0.260 1 310 86 86 TYR CB C 42.848 0.260 1 311 86 86 TYR N N 116.979 0.130 1 312 87 87 ILE H H 9.437 0.003 1 313 87 87 ILE CA C 59.850 0.260 1 314 87 87 ILE N N 122.967 0.130 1 315 88 88 LEU H H 8.569 0.003 1 316 88 88 LEU CA C 53.386 0.260 1 317 88 88 LEU CB C 43.107 0.260 1 318 88 88 LEU N N 128.796 0.130 1 319 89 89 THR H H 8.436 0.003 1 320 89 89 THR CA C 57.462 0.260 1 321 89 89 THR CB C 71.448 0.260 1 322 89 89 THR N N 115.902 0.130 1 323 90 90 GLN H H 6.440 0.003 1 324 90 90 GLN CA C 52.347 0.260 1 325 90 90 GLN CB C 27.673 0.260 1 326 90 90 GLN N N 116.936 0.130 1 327 91 91 GLY H H 8.807 0.003 1 328 91 91 GLY CA C 44.654 0.260 1 329 91 91 GLY N N 112.773 0.130 1 330 92 92 PRO CA C 63.715 0.260 1 331 92 92 PRO CB C 31.503 0.260 1 332 93 93 LEU H H 7.975 0.003 1 333 93 93 LEU CA C 53.098 0.260 1 334 93 93 LEU CB C 41.355 0.260 1 335 93 93 LEU N N 124.182 0.130 1 336 94 94 PRO CA C 65.886 0.260 1 337 94 94 PRO CB C 30.653 0.260 1 338 95 95 ASN H H 8.589 0.003 1 339 95 95 ASN CA C 53.551 0.260 1 340 95 95 ASN CB C 36.576 0.260 1 341 95 95 ASN N N 107.039 0.130 1 342 96 96 THR H H 8.085 0.003 1 343 96 96 THR CA C 60.521 0.260 1 344 96 96 THR CB C 69.050 0.260 1 345 96 96 THR N N 111.916 0.130 1 346 97 97 CYS H H 7.583 0.003 1 347 97 97 CYS CA C 63.653 0.260 1 348 97 97 CYS CB C 27.793 0.260 1 349 97 97 CYS N N 121.589 0.130 1 350 98 98 GLY H H 8.295 0.003 1 351 98 98 GLY CA C 47.285 0.260 1 352 98 98 GLY N N 108.952 0.130 1 353 99 99 HIS H H 7.439 0.003 1 354 99 99 HIS CA C 56.665 0.260 1 355 99 99 HIS CB C 31.986 0.260 1 356 99 99 HIS N N 123.927 0.130 1 357 100 100 PHE H H 8.205 0.003 1 358 100 100 PHE CA C 61.598 0.260 1 359 100 100 PHE CB C 37.591 0.260 1 360 100 100 PHE N N 119.670 0.130 1 361 101 101 TRP HE1 H 10.979 0.003 1 362 101 101 TRP NE1 N 128.854 0.130 1 363 105 105 TRP HE1 H 10.416 0.003 1 364 105 105 TRP NE1 N 129.947 0.130 1 365 109 109 SER CA C 60.904 0.260 1 366 109 109 SER CB C 62.331 0.260 1 367 110 110 ARG H H 9.219 0.003 1 368 110 110 ARG CA C 54.893 0.260 1 369 110 110 ARG CB C 31.174 0.260 1 370 110 110 ARG N N 124.476 0.130 1 371 111 111 GLY H H 7.267 0.003 1 372 111 111 GLY CA C 43.479 0.260 1 373 111 111 GLY N N 102.330 0.130 1 374 114 114 MET H H 7.644 0.003 1 375 114 114 MET CA C 53.653 0.260 1 376 114 114 MET CB C 33.644 0.260 1 377 114 114 MET N N 116.602 0.130 1 378 115 115 LEU H H 7.870 0.003 1 379 115 115 LEU CA C 53.830 0.260 1 380 115 115 LEU CB C 42.278 0.260 1 381 115 115 LEU N N 124.847 0.130 1 382 116 116 ASN H H 7.451 0.003 1 383 116 116 ASN CA C 51.379 0.260 1 384 116 116 ASN CB C 40.963 0.260 1 385 116 116 ASN N N 114.900 0.130 1 386 117 117 ARG H H 9.302 0.003 1 387 117 117 ARG CA C 55.565 0.260 1 388 117 117 ARG CB C 30.969 0.260 1 389 117 117 ARG N N 120.153 0.130 1 390 118 118 VAL H H 8.914 0.003 1 391 118 118 VAL CA C 66.411 0.260 1 392 118 118 VAL CB C 31.050 0.260 1 393 118 118 VAL N N 121.630 0.130 1 394 121 121 LYS CA C 56.110 0.260 1 395 122 122 GLY H H 8.567 0.003 1 396 122 122 GLY CA C 45.365 0.260 1 397 122 122 GLY N N 106.045 0.130 1 398 123 123 SER H H 7.910 0.003 1 399 123 123 SER CA C 56.958 0.260 1 400 123 123 SER CB C 64.453 0.260 1 401 123 123 SER N N 116.438 0.130 1 402 124 124 LEU H H 8.527 0.003 1 403 124 124 LEU CA C 55.412 0.260 1 404 124 124 LEU N N 126.068 0.130 1 405 126 126 CYS CA C 57.275 0.260 1 406 126 126 CYS CB C 28.554 0.260 1 407 127 127 ALA H H 7.760 0.003 1 408 127 127 ALA CA C 51.242 0.260 1 409 127 127 ALA CB C 18.108 0.260 1 410 127 127 ALA N N 124.343 0.130 1 411 128 128 GLN H H 8.485 0.003 1 412 128 128 GLN CA C 55.143 0.260 1 413 128 128 GLN CB C 25.698 0.260 1 414 128 128 GLN N N 121.079 0.130 1 415 129 129 TYR H H 6.619 0.003 1 416 129 129 TYR CA C 55.872 0.260 1 417 129 129 TYR CB C 37.289 0.260 1 418 129 129 TYR N N 122.943 0.130 1 419 130 130 TRP H H 6.607 0.003 1 420 130 130 TRP HE1 H 9.516 0.003 1 421 130 130 TRP CA C 55.043 0.260 1 422 130 130 TRP CB C 29.750 0.260 1 423 130 130 TRP N N 121.090 0.130 1 424 130 130 TRP NE1 N 129.577 0.130 1 425 137 137 GLU CA C 53.823 0.260 1 426 137 137 GLU CB C 32.599 0.260 1 427 138 138 MET H H 8.875 0.003 1 428 138 138 MET CA C 54.803 0.260 1 429 138 138 MET CB C 37.771 0.260 1 430 138 138 MET N N 121.582 0.130 1 431 139 139 ILE H H 8.163 0.003 1 432 139 139 ILE CA C 59.545 0.260 1 433 139 139 ILE CB C 39.188 0.260 1 434 139 139 ILE N N 122.364 0.130 1 435 140 140 PHE H H 8.919 0.003 1 436 140 140 PHE CA C 56.069 0.260 1 437 140 140 PHE CB C 37.088 0.260 1 438 140 140 PHE N N 128.128 0.130 1 439 141 141 GLU H H 8.984 0.003 1 440 141 141 GLU CA C 58.643 0.260 1 441 141 141 GLU CB C 29.113 0.260 1 442 141 141 GLU N N 124.440 0.130 1 443 142 142 ASP H H 9.091 0.003 1 444 142 142 ASP CA C 55.414 0.260 1 445 142 142 ASP CB C 37.952 0.260 1 446 142 142 ASP N N 116.688 0.130 1 447 143 143 THR H H 7.475 0.003 1 448 143 143 THR CA C 60.004 0.260 1 449 143 143 THR CB C 68.289 0.260 1 450 143 143 THR N N 108.346 0.130 1 451 144 144 ASN H H 7.962 0.003 1 452 144 144 ASN CA C 53.583 0.260 1 453 144 144 ASN CB C 37.258 0.260 1 454 144 144 ASN N N 120.886 0.130 1 455 145 145 LEU H H 7.443 0.003 1 456 145 145 LEU CA C 53.090 0.260 1 457 145 145 LEU CB C 45.594 0.260 1 458 145 145 LEU N N 117.320 0.130 1 459 147 147 LEU H H 9.151 0.003 1 460 147 147 LEU CA C 52.855 0.260 1 461 147 147 LEU CB C 47.153 0.260 1 462 147 147 LEU N N 129.853 0.130 1 463 148 148 THR CA C 61.023 0.260 1 464 148 148 THR CB C 70.854 0.260 1 465 149 149 LEU H H 8.981 0.003 1 466 149 149 LEU CA C 54.998 0.260 1 467 149 149 LEU CB C 41.870 0.260 1 468 149 149 LEU N N 128.256 0.130 1 469 150 150 ILE H H 8.882 0.003 1 470 150 150 ILE CB C 36.172 0.260 1 471 150 150 ILE N N 130.014 0.130 1 472 151 151 SER H H 7.807 0.003 1 473 151 151 SER CA C 57.365 0.260 1 474 151 151 SER CB C 65.013 0.260 1 475 151 151 SER N N 111.223 0.130 1 476 152 152 GLU H H 8.637 0.003 1 477 152 152 GLU CA C 55.550 0.260 1 478 152 152 GLU CB C 33.573 0.260 1 479 152 152 GLU N N 120.906 0.130 1 480 153 153 ASP H H 8.826 0.003 1 481 153 153 ASP CA C 52.880 0.260 1 482 153 153 ASP CB C 41.436 0.260 1 483 153 153 ASP N N 127.211 0.130 1 484 154 154 ILE H H 8.537 0.003 1 485 154 154 ILE CA C 61.837 0.260 1 486 154 154 ILE CB C 37.741 0.260 1 487 154 154 ILE N N 127.320 0.130 1 488 155 155 LYS H H 8.144 0.003 1 489 155 155 LYS CA C 53.558 0.260 1 490 155 155 LYS CB C 32.487 0.260 1 491 155 155 LYS N N 129.152 0.130 1 492 156 156 SER CA C 61.394 0.260 1 493 157 157 TYR H H 7.119 0.003 1 494 157 157 TYR CA C 55.063 0.260 1 495 157 157 TYR CB C 38.327 0.260 1 496 157 157 TYR N N 112.875 0.130 1 497 158 158 TYR H H 6.591 0.003 1 498 158 158 TYR CA C 55.508 0.260 1 499 158 158 TYR CB C 40.344 0.260 1 500 158 158 TYR N N 113.823 0.130 1 501 159 159 THR H H 9.444 0.003 1 502 159 159 THR CA C 60.712 0.260 1 503 159 159 THR CB C 72.876 0.260 1 504 159 159 THR N N 117.778 0.130 1 505 160 160 VAL H H 8.711 0.003 1 506 160 160 VAL CA C 59.511 0.260 1 507 160 160 VAL CB C 33.462 0.260 1 508 160 160 VAL N N 126.378 0.130 1 509 166 166 GLU CA C 53.148 0.260 1 510 167 167 ASN H H 8.219 0.003 1 511 167 167 ASN CA C 51.695 0.260 1 512 167 167 ASN CB C 37.360 0.260 1 513 167 167 ASN N N 124.522 0.130 1 514 168 168 LEU H H 8.283 0.003 1 515 168 168 LEU CA C 56.496 0.260 1 516 168 168 LEU CB C 40.156 0.260 1 517 168 168 LEU N N 126.130 0.130 1 518 169 169 THR H H 8.242 0.003 1 519 169 169 THR CA C 64.772 0.260 1 520 169 169 THR CB C 68.090 0.260 1 521 169 169 THR N N 115.202 0.130 1 522 170 170 THR H H 7.057 0.003 1 523 170 170 THR CA C 61.261 0.260 1 524 170 170 THR CB C 69.675 0.260 1 525 170 170 THR N N 109.593 0.130 1 526 171 171 GLN H H 8.388 0.003 1 527 171 171 GLN CA C 57.441 0.260 1 528 171 171 GLN CB C 25.453 0.260 1 529 171 171 GLN N N 116.792 0.130 1 530 172 172 GLU H H 7.464 0.003 1 531 172 172 GLU CA C 55.835 0.260 1 532 172 172 GLU CB C 32.833 0.260 1 533 172 172 GLU N N 119.804 0.130 1 534 173 173 THR H H 8.458 0.003 1 535 173 173 THR CA C 59.781 0.260 1 536 173 173 THR CB C 71.574 0.260 1 537 173 173 THR N N 113.659 0.130 1 538 181 181 TYR CA C 58.195 0.260 1 539 182 182 THR H H 7.468 0.003 1 540 182 182 THR CA C 62.284 0.260 1 541 182 182 THR CB C 68.224 0.260 1 542 182 182 THR N N 115.662 0.130 1 543 183 183 THR H H 5.947 0.003 1 544 183 183 THR CA C 60.030 0.260 1 545 183 183 THR CB C 68.355 0.260 1 546 183 183 THR N N 107.476 0.130 1 547 184 184 TRP H H 8.820 0.003 1 548 184 184 TRP HE1 H 9.755 0.003 1 549 184 184 TRP CA C 56.591 0.260 1 550 184 184 TRP CB C 27.161 0.260 1 551 184 184 TRP N N 130.162 0.130 1 552 184 184 TRP NE1 N 131.327 0.130 1 553 186 186 ASP CA C 56.356 0.260 1 554 187 187 PHE H H 7.590 0.003 1 555 187 187 PHE CA C 56.141 0.260 1 556 187 187 PHE CB C 40.614 0.260 1 557 187 187 PHE N N 114.837 0.130 1 558 188 188 GLY H H 8.399 0.003 1 559 188 188 GLY CA C 44.763 0.260 1 560 188 188 GLY N N 110.513 0.130 1 561 189 189 VAL H H 8.004 0.003 1 562 189 189 VAL CA C 57.093 0.260 1 563 189 189 VAL CB C 30.166 0.260 1 564 189 189 VAL N N 114.447 0.130 1 565 190 190 PRO CA C 62.154 0.260 1 566 190 190 PRO CB C 30.432 0.260 1 567 191 191 GLU H H 8.381 0.003 1 568 191 191 GLU CA C 58.094 0.260 1 569 191 191 GLU CB C 29.186 0.260 1 570 191 191 GLU N N 121.984 0.130 1 571 192 192 SER H H 7.762 0.003 1 572 192 192 SER CA C 52.867 0.260 1 573 192 192 SER CB C 64.240 0.260 1 574 192 192 SER N N 111.387 0.130 1 575 193 193 PRO CB C 32.144 0.260 1 576 194 194 ALA H H 8.531 0.003 1 577 194 194 ALA CA C 52.715 0.260 1 578 194 194 ALA CB C 18.495 0.260 1 579 194 194 ALA N N 125.650 0.130 1 580 195 195 SER H H 8.184 0.003 1 581 195 195 SER CA C 58.342 0.260 1 582 195 195 SER CB C 63.193 0.260 1 583 195 195 SER N N 114.345 0.130 1 584 197 197 LEU CA C 56.203 0.260 1 585 197 197 LEU CB C 40.872 0.260 1 586 198 198 ALA H H 8.025 0.003 1 587 198 198 ALA CA C 55.040 0.260 1 588 198 198 ALA CB C 16.727 0.260 1 589 198 198 ALA N N 121.503 0.130 1 590 201 201 PHE H H 8.140 0.003 1 591 201 201 PHE N N 127.485 0.130 1 592 202 202 LYS H H 7.474 0.003 1 593 202 202 LYS CA C 57.076 0.260 1 594 202 202 LYS CB C 27.594 0.260 1 595 202 202 LYS N N 113.147 0.130 1 596 203 203 VAL H H 7.830 0.003 1 597 203 203 VAL CA C 65.802 0.260 1 598 203 203 VAL N N 121.498 0.130 1 599 204 204 ARG H H 8.439 0.003 1 600 204 204 ARG CA C 59.950 0.260 1 601 204 204 ARG CB C 30.486 0.260 1 602 204 204 ARG N N 120.695 0.130 1 603 205 205 GLU H H 8.448 0.003 1 604 205 205 GLU CA C 59.253 0.260 1 605 205 205 GLU CB C 29.913 0.260 1 606 205 205 GLU N N 120.672 0.130 1 607 206 206 SER H H 7.419 0.003 1 608 206 206 SER CA C 59.950 0.260 1 609 206 206 SER CB C 65.598 0.260 1 610 206 206 SER N N 112.479 0.130 1 611 207 207 GLY H H 7.659 0.003 1 612 207 207 GLY CA C 45.684 0.260 1 613 207 207 GLY N N 110.382 0.130 1 614 208 208 SER H H 7.867 0.003 1 615 208 208 SER CA C 62.349 0.260 1 616 208 208 SER CB C 63.526 0.260 1 617 208 208 SER N N 114.246 0.130 1 618 209 209 LEU H H 8.243 0.003 1 619 209 209 LEU CA C 53.754 0.260 1 620 209 209 LEU CB C 39.744 0.260 1 621 209 209 LEU N N 116.418 0.130 1 622 210 210 SER H H 7.380 0.003 1 623 210 210 SER CA C 56.560 0.260 1 624 210 210 SER CB C 63.131 0.260 1 625 210 210 SER N N 116.544 0.130 1 626 211 211 PRO CA C 63.974 0.260 1 627 211 211 PRO CB C 30.951 0.260 1 628 212 212 GLU H H 8.165 0.003 1 629 212 212 GLU CA C 57.157 0.260 1 630 212 212 GLU CB C 28.272 0.260 1 631 212 212 GLU N N 117.982 0.130 1 632 213 213 HIS H H 7.470 0.003 1 633 213 213 HIS CA C 53.793 0.260 1 634 213 213 HIS CB C 33.387 0.260 1 635 213 213 HIS N N 119.045 0.130 1 636 214 214 GLY H H 7.286 0.003 1 637 214 214 GLY CA C 44.020 0.260 1 638 214 214 GLY N N 104.800 0.130 1 639 216 216 VAL H H 8.999 0.003 1 640 216 216 VAL CA C 61.574 0.260 1 641 216 216 VAL CB C 30.876 0.260 1 642 216 216 VAL N N 125.825 0.130 1 643 217 217 VAL H H 7.699 0.003 1 644 217 217 VAL CA C 60.947 0.260 1 645 217 217 VAL N N 126.313 0.130 1 646 219 219 HIS H H 9.191 0.003 1 647 219 219 HIS CB C 34.599 0.260 1 648 219 219 HIS N N 121.761 0.130 1 649 220 220 CYS H H 6.084 0.003 1 650 220 220 CYS CA C 56.471 0.260 1 651 220 220 CYS CB C 28.356 0.260 1 652 220 220 CYS N N 120.596 0.130 1 653 223 223 GLY H H 8.800 0.003 1 654 223 223 GLY CA C 47.335 0.260 1 655 223 223 GLY N N 112.258 0.130 1 656 224 224 ILE H H 7.279 0.003 1 657 224 224 ILE CA C 61.165 0.260 1 658 224 224 ILE CB C 39.637 0.260 1 659 224 224 ILE N N 108.077 0.130 1 660 226 226 ARG H H 8.574 0.003 1 661 226 226 ARG CA C 59.855 0.260 1 662 226 226 ARG CB C 29.434 0.260 1 663 226 226 ARG N N 130.725 0.130 1 664 227 227 SER CA C 62.701 0.260 1 665 228 228 GLY H H 6.403 0.003 1 666 228 228 GLY CA C 46.884 0.260 1 667 228 228 GLY N N 106.625 0.130 1 668 229 229 THR H H 7.769 0.003 1 669 229 229 THR CA C 66.659 0.260 1 670 229 229 THR CB C 68.176 0.260 1 671 229 229 THR N N 117.422 0.130 1 672 230 230 PHE H H 7.580 0.003 1 673 230 230 PHE CA C 62.096 0.260 1 674 230 230 PHE CB C 39.643 0.260 1 675 230 230 PHE N N 120.500 0.130 1 676 231 231 CYS H H 7.424 0.003 1 677 231 231 CYS CA C 62.011 0.260 1 678 231 231 CYS CB C 26.022 0.260 1 679 231 231 CYS N N 115.667 0.130 1 680 232 232 LEU H H 8.529 0.003 1 681 232 232 LEU CA C 57.999 0.260 1 682 232 232 LEU CB C 42.164 0.260 1 683 232 232 LEU N N 121.728 0.130 1 684 233 233 ALA H H 8.140 0.003 1 685 233 233 ALA CA C 55.488 0.260 1 686 233 233 ALA CB C 16.112 0.260 1 687 233 233 ALA N N 119.966 0.130 1 688 234 234 ASP H H 7.545 0.003 1 689 234 234 ASP CA C 58.055 0.260 1 690 234 234 ASP CB C 40.798 0.260 1 691 234 234 ASP N N 114.090 0.130 1 692 235 235 THR H H 8.522 0.003 1 693 235 235 THR CA C 68.737 0.260 1 694 235 235 THR CB C 67.354 0.260 1 695 235 235 THR N N 114.946 0.130 1 696 236 236 CYS H H 8.377 0.003 1 697 236 236 CYS CA C 65.405 0.260 1 698 236 236 CYS CB C 27.137 0.260 1 699 236 236 CYS N N 117.785 0.130 1 700 237 237 LEU H H 7.904 0.003 1 701 237 237 LEU CB C 41.837 0.260 1 702 237 237 LEU N N 117.617 0.130 1 703 239 239 LEU H H 7.866 0.003 1 704 239 239 LEU CA C 57.455 0.260 1 705 239 239 LEU CB C 41.286 0.260 1 706 239 239 LEU N N 122.150 0.130 1 707 240 240 MET H H 7.903 0.003 1 708 240 240 MET CA C 59.116 0.260 1 709 240 240 MET CB C 32.294 0.260 1 710 240 240 MET N N 117.413 0.130 1 711 241 241 ASP H H 7.173 0.003 1 712 241 241 ASP CA C 55.706 0.260 1 713 241 241 ASP CB C 41.987 0.260 1 714 241 241 ASP N N 117.058 0.130 1 715 242 242 LYS H H 8.004 0.003 1 716 242 242 LYS CA C 57.378 0.260 1 717 242 242 LYS CB C 32.590 0.260 1 718 242 242 LYS N N 117.947 0.130 1 719 243 243 ARG H H 7.996 0.003 1 720 243 243 ARG CA C 57.528 0.260 1 721 243 243 ARG CB C 32.573 0.260 1 722 243 243 ARG N N 117.221 0.130 1 723 244 244 LYS H H 7.960 0.003 1 724 244 244 LYS CA C 57.393 0.260 1 725 244 244 LYS CB C 30.297 0.260 1 726 244 244 LYS N N 118.330 0.130 1 727 246 246 PRO CA C 64.450 0.260 1 728 246 246 PRO CB C 31.695 0.260 1 729 247 247 SER H H 8.110 0.003 1 730 247 247 SER CA C 59.939 0.260 1 731 247 247 SER CB C 62.732 0.260 1 732 247 247 SER N N 113.099 0.130 1 733 248 248 SER H H 7.671 0.003 1 734 248 248 SER CA C 58.735 0.260 1 735 248 248 SER CB C 63.916 0.260 1 736 248 248 SER N N 115.529 0.130 1 737 249 249 VAL H H 7.209 0.003 1 738 249 249 VAL CA C 62.945 0.260 1 739 249 249 VAL CB C 31.188 0.260 1 740 249 249 VAL N N 123.718 0.130 1 741 250 250 ASP H H 8.425 0.003 1 742 250 250 ASP CA C 51.437 0.260 1 743 250 250 ASP CB C 41.402 0.260 1 744 250 250 ASP N N 129.586 0.130 1 745 251 251 ILE H H 8.443 0.003 1 746 251 251 ILE CA C 64.990 0.260 1 747 251 251 ILE CB C 37.341 0.260 1 748 251 251 ILE N N 126.660 0.130 1 749 252 252 LYS H H 7.854 0.003 1 750 252 252 LYS CA C 60.060 0.260 1 751 252 252 LYS CB C 30.186 0.260 1 752 252 252 LYS N N 118.430 0.130 1 753 253 253 LYS H H 7.149 0.003 1 754 253 253 LYS CA C 59.051 0.260 1 755 253 253 LYS CB C 31.780 0.260 1 756 253 253 LYS N N 117.643 0.130 1 757 254 254 VAL H H 8.061 0.003 1 758 254 254 VAL CA C 66.061 0.260 1 759 254 254 VAL CB C 30.527 0.260 1 760 254 254 VAL N N 121.906 0.130 1 761 256 256 LEU H H 8.203 0.003 1 762 256 256 LEU CA C 61.615 0.260 1 763 256 256 LEU CB C 40.716 0.260 1 764 256 256 LEU N N 119.057 0.130 1 765 258 258 MET CA C 60.414 0.260 1 766 259 259 ARG H H 8.566 0.003 1 767 259 259 ARG CA C 57.743 0.260 1 768 259 259 ARG CB C 29.796 0.260 1 769 259 259 ARG N N 118.060 0.130 1 770 260 260 LYS H H 7.635 0.003 1 771 260 260 LYS CA C 58.588 0.260 1 772 260 260 LYS CB C 31.041 0.260 1 773 260 260 LYS N N 119.260 0.130 1 774 261 261 PHE H H 8.170 0.003 1 775 261 261 PHE CA C 59.090 0.260 1 776 261 261 PHE CB C 40.777 0.260 1 777 261 261 PHE N N 112.916 0.130 1 778 262 262 ARG H H 7.479 0.003 1 779 262 262 ARG CA C 56.183 0.260 1 780 262 262 ARG CB C 31.779 0.260 1 781 262 262 ARG N N 120.911 0.130 1 782 263 263 MET H H 8.396 0.003 1 783 263 263 MET CA C 55.095 0.260 1 784 263 263 MET CB C 31.813 0.260 1 785 263 263 MET N N 122.651 0.130 1 786 264 264 GLY H H 8.805 0.003 1 787 264 264 GLY CA C 46.242 0.260 1 788 264 264 GLY N N 102.016 0.130 1 789 265 265 LEU H H 6.377 0.003 1 790 265 265 LEU CA C 55.304 0.260 1 791 265 265 LEU N N 115.226 0.130 1 792 266 266 ILE H H 8.375 0.003 1 793 266 266 ILE CA C 64.142 0.260 1 794 266 266 ILE CB C 41.012 0.260 1 795 266 266 ILE N N 115.896 0.130 1 796 267 267 GLN H H 8.755 0.003 1 797 267 267 GLN CA C 57.196 0.260 1 798 267 267 GLN CB C 32.138 0.260 1 799 267 267 GLN N N 126.718 0.130 1 800 268 268 THR H H 6.674 0.003 1 801 268 268 THR CA C 57.522 0.260 1 802 268 268 THR CB C 72.946 0.260 1 803 268 268 THR N N 105.259 0.130 1 804 269 269 ALA H H 8.618 0.003 1 805 269 269 ALA CA C 54.118 0.260 1 806 269 269 ALA CB C 16.846 0.260 1 807 269 269 ALA N N 123.754 0.130 1 808 270 270 ASP H H 7.852 0.003 1 809 270 270 ASP CA C 56.382 0.260 1 810 270 270 ASP CB C 39.356 0.260 1 811 270 270 ASP N N 116.350 0.130 1 812 271 271 GLN H H 7.807 0.003 1 813 271 271 GLN CA C 58.555 0.260 1 814 271 271 GLN CB C 27.996 0.260 1 815 271 271 GLN N N 119.865 0.130 1 816 272 272 LEU H H 7.592 0.003 1 817 272 272 LEU CA C 58.166 0.260 1 818 272 272 LEU CB C 40.668 0.260 1 819 272 272 LEU N N 124.395 0.130 1 820 273 273 ARG H H 7.899 0.003 1 821 273 273 ARG CA C 59.324 0.260 1 822 273 273 ARG CB C 28.207 0.260 1 823 273 273 ARG N N 121.366 0.130 1 824 274 274 PHE H H 8.189 0.003 1 825 274 274 PHE CA C 59.109 0.260 1 826 274 274 PHE CB C 38.985 0.260 1 827 274 274 PHE N N 117.804 0.130 1 828 275 275 SER H H 7.969 0.003 1 829 275 275 SER CA C 63.494 0.260 1 830 275 275 SER CB C 62.606 0.260 1 831 275 275 SER N N 115.571 0.130 1 832 277 277 LEU H H 8.411 0.003 1 833 277 277 LEU CA C 57.073 0.260 1 834 277 277 LEU CB C 40.832 0.260 1 835 277 277 LEU N N 118.963 0.130 1 836 278 278 ALA H H 8.509 0.003 1 837 278 278 ALA CA C 54.364 0.260 1 838 278 278 ALA CB C 15.888 0.260 1 839 278 278 ALA N N 119.785 0.130 1 840 279 279 VAL H H 7.787 0.003 1 841 279 279 VAL CA C 65.571 0.260 1 842 279 279 VAL CB C 30.102 0.260 1 843 279 279 VAL N N 118.664 0.130 1 844 281 281 GLU CA C 58.396 0.260 1 845 282 282 GLY H H 8.721 0.003 1 846 282 282 GLY CA C 47.534 0.260 1 847 282 282 GLY N N 110.261 0.130 1 848 283 283 ALA H H 8.586 0.003 1 849 283 283 ALA CA C 54.501 0.260 1 850 283 283 ALA CB C 17.754 0.260 1 851 283 283 ALA N N 125.402 0.130 1 852 284 284 LYS H H 7.495 0.003 1 853 284 284 LYS CA C 58.799 0.260 1 854 284 284 LYS CB C 31.453 0.260 1 855 284 284 LYS N N 116.419 0.130 1 856 285 285 PHE H H 7.631 0.003 1 857 285 285 PHE CA C 59.503 0.260 1 858 285 285 PHE CB C 38.518 0.260 1 859 285 285 PHE N N 118.390 0.130 1 860 286 286 ILE CA C 62.692 0.260 1 861 287 287 MET H H 8.060 0.003 1 862 287 287 MET CA C 55.522 0.260 1 863 287 287 MET CB C 31.716 0.260 1 864 287 287 MET N N 118.509 0.130 1 865 288 288 GLY H H 7.601 0.003 1 866 288 288 GLY CA C 45.148 0.260 1 867 288 288 GLY N N 108.296 0.130 1 868 289 289 ASP H H 8.094 0.003 1 869 289 289 ASP CA C 53.826 0.260 1 870 289 289 ASP CB C 40.919 0.260 1 871 289 289 ASP N N 120.862 0.130 1 872 290 290 SER H H 8.320 0.003 1 873 290 290 SER CA C 58.952 0.260 1 874 290 290 SER CB C 62.987 0.260 1 875 290 290 SER N N 118.564 0.130 1 876 291 291 SER H H 8.444 0.003 1 877 291 291 SER CA C 59.311 0.260 1 878 291 291 SER CB C 63.004 0.260 1 879 291 291 SER N N 118.757 0.130 1 880 292 292 VAL H H 7.812 0.003 1 881 292 292 VAL CA C 62.847 0.260 1 882 292 292 VAL CB C 31.240 0.260 1 883 292 292 VAL N N 121.561 0.130 1 884 293 293 GLN H H 8.389 0.003 1 885 293 293 GLN CA C 54.879 0.260 1 886 293 293 GLN CB C 29.150 0.260 1 887 293 293 GLN N N 119.692 0.130 1 888 294 294 ASP H H 8.128 0.003 1 889 294 294 ASP CA C 54.570 0.260 1 890 294 294 ASP CB C 39.700 0.260 1 891 294 294 ASP N N 125.912 0.130 1 892 295 295 GLN H H 7.965 0.003 1 893 295 295 GLN CA C 56.699 0.260 1 894 295 295 GLN CB C 28.028 0.260 1 895 295 295 GLN N N 119.861 0.130 1 896 296 296 TRP H H 7.954 0.003 1 897 296 296 TRP HE1 H 10.119 0.003 1 898 296 296 TRP CA C 57.342 0.260 1 899 296 296 TRP CB C 28.214 0.260 1 900 296 296 TRP N N 120.783 0.130 1 901 296 296 TRP NE1 N 129.527 0.130 1 902 297 297 LYS H H 7.746 0.003 1 903 297 297 LYS CA C 57.204 0.260 1 904 297 297 LYS CB C 31.990 0.260 1 905 297 297 LYS N N 122.277 0.130 1 906 298 298 GLU H H 8.107 0.003 1 907 298 298 GLU CA C 56.844 0.260 1 908 298 298 GLU CB C 29.120 0.260 1 909 298 298 GLU N N 120.926 0.130 1 910 299 299 LEU H H 7.960 0.003 1 911 299 299 LEU CA C 55.043 0.260 1 912 299 299 LEU CB C 41.264 0.260 1 913 299 299 LEU N N 122.087 0.130 1 914 300 300 SER H H 8.114 0.003 1 915 300 300 SER CA C 57.989 0.260 1 916 300 300 SER CB C 63.246 0.260 1 917 300 300 SER N N 116.072 0.130 1 918 301 301 HIS H H 8.494 0.003 1 919 301 301 HIS CA C 56.187 0.260 1 920 301 301 HIS CB C 33.144 0.260 1 921 301 301 HIS N N 123.017 0.130 1 922 303 303 ASP H H 8.336 0.003 1 923 303 303 ASP CA C 54.212 0.260 1 924 303 303 ASP CB C 40.594 0.260 1 925 303 303 ASP N N 121.595 0.130 1 926 304 304 LEU H H 8.065 0.003 1 927 304 304 LEU CA C 54.509 0.260 1 928 304 304 LEU CB C 41.332 0.260 1 929 304 304 LEU N N 122.656 0.130 1 930 305 305 GLU H H 8.134 0.003 1 931 305 305 GLU CA C 53.979 0.260 1 932 305 305 GLU CB C 29.017 0.260 1 933 305 305 GLU N N 123.008 0.130 1 stop_ save_