data_26836 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N chemical shift assignments for Protein Tyrosine Phosphatase 1B L192A variant ; _BMRB_accession_number 26836 _BMRB_flat_file_name bmr26836.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" 237 "13C chemical shifts" 469 "15N chemical shifts" 237 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' 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 Tyrosine Phosphatase 1B L192A variant' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Protein Tyrosine Phosphatase 1B L192A variant' $PTP1B_L192A_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_L192A_mutant _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PTP1B_L192A_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 YTTWPDFGVPESPASFANFL 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 ALA 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_L192A_mutant human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $PTP1B_L192A_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_L192A_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_L192A_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 L192A 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 7.685 0.003 1 2 5 5 SER CA C 61.676 0.260 1 3 5 5 SER CB C 62.988 0.260 1 4 5 5 SER N N 114.288 0.130 1 5 6 6 MET H H 8.474 0.003 1 6 6 6 MET CA C 61.356 0.260 1 7 6 6 MET CB C 33.668 0.260 1 8 6 6 MET N N 119.293 0.130 1 9 10 10 LYS H H 8.323 0.003 1 10 10 10 LYS CA C 59.683 0.260 1 11 10 10 LYS CB C 30.158 0.260 1 12 10 10 LYS N N 119.727 0.130 1 13 11 11 GLU H H 8.128 0.003 1 14 11 11 GLU CA C 60.008 0.260 1 15 11 11 GLU CB C 29.921 0.260 1 16 11 11 GLU N N 121.927 0.130 1 17 12 12 PHE H H 8.544 0.003 1 18 12 12 PHE CA C 62.796 0.260 1 19 12 12 PHE CB C 39.987 0.260 1 20 12 12 PHE N N 119.357 0.130 1 21 13 13 GLU H H 8.191 0.003 1 22 13 13 GLU CA C 59.917 0.260 1 23 13 13 GLU CB C 29.778 0.260 1 24 13 13 GLU N N 118.132 0.130 1 25 14 14 GLN H H 7.685 0.003 1 26 14 14 GLN CA C 59.410 0.260 1 27 14 14 GLN CB C 28.243 0.260 1 28 14 14 GLN N N 118.850 0.130 1 29 15 15 ILE H H 7.907 0.003 1 30 15 15 ILE CA C 65.417 0.260 1 31 15 15 ILE CB C 38.160 0.260 1 32 15 15 ILE N N 122.738 0.130 1 33 16 16 ASP H H 8.407 0.003 1 34 16 16 ASP CA C 58.392 0.260 1 35 16 16 ASP CB C 42.167 0.260 1 36 16 16 ASP N N 119.731 0.130 1 37 17 17 LYS H H 8.369 0.003 1 38 17 17 LYS CA C 59.234 0.260 1 39 17 17 LYS CB C 32.175 0.260 1 40 17 17 LYS N N 117.981 0.130 1 41 18 18 SER H H 7.361 0.003 1 42 18 18 SER CA C 59.080 0.260 1 43 18 18 SER CB C 64.624 0.260 1 44 18 18 SER N N 111.481 0.130 1 45 19 19 GLY H H 7.740 0.003 1 46 19 19 GLY CA C 47.362 0.260 1 47 19 19 GLY N N 112.912 0.130 1 48 20 20 SER H H 7.653 0.003 1 49 20 20 SER CA C 59.380 0.260 1 50 20 20 SER CB C 63.734 0.260 1 51 20 20 SER N N 111.555 0.130 1 52 21 21 TRP H H 6.949 0.003 1 53 21 21 TRP HE1 H 11.036 0.003 1 54 21 21 TRP CA C 60.820 0.260 1 55 21 21 TRP CB C 29.486 0.260 1 56 21 21 TRP N N 121.292 0.130 1 57 21 21 TRP NE1 N 130.817 0.130 1 58 22 22 ALA H H 8.569 0.003 1 59 22 22 ALA CA C 56.029 0.260 1 60 22 22 ALA CB C 17.764 0.260 1 61 22 22 ALA N N 119.401 0.130 1 62 23 23 ALA H H 7.665 0.003 1 63 23 23 ALA CA C 55.662 0.260 1 64 23 23 ALA CB C 18.146 0.260 1 65 23 23 ALA N N 122.790 0.130 1 66 24 24 ILE H H 7.923 0.003 1 67 24 24 ILE CA C 64.250 0.260 1 68 24 24 ILE CB C 37.577 0.260 1 69 24 24 ILE N N 119.115 0.130 1 70 25 25 TYR H H 8.485 0.003 1 71 25 25 TYR CA C 62.883 0.260 1 72 25 25 TYR CB C 38.805 0.260 1 73 25 25 TYR N N 120.243 0.130 1 74 26 26 GLN H H 8.095 0.003 1 75 26 26 GLN CA C 59.007 0.260 1 76 26 26 GLN CB C 27.778 0.260 1 77 26 26 GLN N N 117.956 0.130 1 78 27 27 ASP H H 7.683 0.003 1 79 27 27 ASP CA C 58.498 0.260 1 80 27 27 ASP CB C 40.414 0.260 1 81 27 27 ASP N N 120.756 0.130 1 82 28 28 ILE H H 7.559 0.003 1 83 28 28 ILE CA C 65.481 0.260 1 84 28 28 ILE CB C 37.254 0.260 1 85 28 28 ILE N N 120.415 0.130 1 86 29 29 ARG H H 7.598 0.003 1 87 29 29 ARG CA C 60.339 0.260 1 88 29 29 ARG CB C 29.949 0.260 1 89 29 29 ARG N N 117.586 0.130 1 90 30 30 HIS H H 8.031 0.003 1 91 30 30 HIS CA C 58.564 0.260 1 92 30 30 HIS CB C 29.944 0.260 1 93 30 30 HIS N N 116.617 0.130 1 94 31 31 GLU H H 7.710 0.003 1 95 31 31 GLU CA C 56.824 0.260 1 96 31 31 GLU CB C 30.919 0.260 1 97 31 31 GLU N N 117.825 0.130 1 98 32 32 ALA H H 7.302 0.003 1 99 32 32 ALA CA C 53.382 0.260 1 100 32 32 ALA CB C 19.394 0.260 1 101 32 32 ALA N N 123.443 0.130 1 102 33 33 SER H H 7.871 0.003 1 103 33 33 SER CA C 59.639 0.260 1 104 33 33 SER CB C 65.128 0.260 1 105 33 33 SER N N 117.189 0.130 1 106 34 34 ASP H H 7.964 0.003 1 107 34 34 ASP CA C 54.267 0.260 1 108 34 34 ASP CB C 43.744 0.260 1 109 34 34 ASP N N 122.516 0.130 1 110 35 35 PHE H H 6.689 0.003 1 111 35 35 PHE CA C 55.763 0.260 1 112 35 35 PHE CB C 41.065 0.260 1 113 35 35 PHE N N 119.505 0.130 1 114 36 36 PRO CA C 64.782 0.260 1 115 36 36 PRO CB C 32.883 0.260 1 116 37 37 CYS H H 9.052 0.003 1 117 37 37 CYS CA C 56.896 0.260 1 118 37 37 CYS CB C 28.812 0.260 1 119 37 37 CYS N N 126.354 0.130 1 120 38 38 ARG H H 9.420 0.003 1 121 38 38 ARG CA C 60.346 0.260 1 122 38 38 ARG CB C 30.560 0.260 1 123 38 38 ARG N N 121.872 0.130 1 124 39 39 VAL H H 9.435 0.003 1 125 39 39 VAL CA C 67.400 0.260 1 126 39 39 VAL CB C 30.727 0.260 1 127 39 39 VAL N N 121.527 0.130 1 128 40 40 ALA H H 8.422 0.003 1 129 40 40 ALA CA C 55.250 0.260 1 130 40 40 ALA CB C 21.195 0.260 1 131 40 40 ALA N N 121.648 0.130 1 132 41 41 LYS H H 6.692 0.003 1 133 41 41 LYS CA C 55.739 0.260 1 134 41 41 LYS CB C 32.852 0.260 1 135 41 41 LYS N N 111.226 0.130 1 136 42 42 LEU H H 7.383 0.003 1 137 42 42 LEU CA C 54.644 0.260 1 138 42 42 LEU CB C 41.079 0.260 1 139 42 42 LEU N N 123.567 0.130 1 140 43 43 PRO CA C 66.422 0.260 1 141 44 44 LYS H H 8.022 0.003 1 142 44 44 LYS CA C 58.409 0.260 1 143 44 44 LYS CB C 31.408 0.260 1 144 44 44 LYS N N 114.198 0.130 1 145 45 45 ASN H H 7.641 0.003 1 146 45 45 ASN CA C 53.495 0.260 1 147 45 45 ASN CB C 39.665 0.260 1 148 45 45 ASN N N 116.938 0.130 1 149 46 46 LYS H H 7.301 0.003 1 150 46 46 LYS CA C 61.275 0.260 1 151 46 46 LYS CB C 32.485 0.260 1 152 46 46 LYS N N 123.478 0.130 1 153 47 47 ASN H H 8.293 0.003 1 154 47 47 ASN CA C 53.624 0.260 1 155 47 47 ASN CB C 37.208 0.260 1 156 47 47 ASN N N 113.719 0.130 1 157 48 48 ARG H H 7.784 0.003 1 158 48 48 ARG CA C 56.582 0.260 1 159 48 48 ARG CB C 31.450 0.260 1 160 48 48 ARG N N 115.269 0.130 1 161 49 49 ASN H H 7.382 0.003 1 162 49 49 ASN CA C 53.060 0.260 1 163 49 49 ASN CB C 41.617 0.260 1 164 49 49 ASN N N 119.871 0.130 1 165 50 50 ARG H H 9.052 0.003 1 166 50 50 ARG CA C 59.727 0.260 1 167 50 50 ARG CB C 30.934 0.260 1 168 50 50 ARG N N 126.128 0.130 1 169 51 51 TYR H H 9.361 0.003 1 170 51 51 TYR CA C 56.688 0.260 1 171 51 51 TYR CB C 40.478 0.260 1 172 51 51 TYR N N 117.352 0.130 1 173 52 52 ARG CA C 58.641 0.260 1 174 52 52 ARG CB C 29.920 0.260 1 175 53 53 ASP H H 8.490 0.003 1 176 53 53 ASP CA C 53.864 0.260 1 177 53 53 ASP CB C 40.599 0.260 1 178 53 53 ASP N N 113.128 0.130 1 179 54 54 VAL H H 6.901 0.003 1 180 54 54 VAL CA C 63.251 0.260 1 181 54 54 VAL CB C 32.636 0.260 1 182 54 54 VAL N N 119.508 0.130 1 183 55 55 SER H H 7.816 0.003 1 184 55 55 SER CA C 56.211 0.260 1 185 55 55 SER CB C 65.315 0.260 1 186 55 55 SER N N 123.478 0.130 1 187 56 56 PRO CA C 62.531 0.260 1 188 56 56 PRO CB C 32.379 0.260 1 189 57 57 PHE H H 7.123 0.003 1 190 57 57 PHE CA C 56.172 0.260 1 191 57 57 PHE CB C 39.554 0.260 1 192 57 57 PHE N N 124.619 0.130 1 193 58 58 ASP H H 9.193 0.003 1 194 58 58 ASP CA C 59.457 0.260 1 195 58 58 ASP CB C 40.978 0.260 1 196 58 58 ASP N N 124.725 0.130 1 197 59 59 HIS H H 8.922 0.003 1 198 59 59 HIS CA C 59.679 0.260 1 199 59 59 HIS CB C 30.472 0.260 1 200 59 59 HIS N N 115.516 0.130 1 201 60 60 SER H H 6.262 0.003 1 202 60 60 SER CA C 56.141 0.260 1 203 60 60 SER CB C 64.215 0.260 1 204 60 60 SER N N 108.323 0.130 1 205 61 61 ARG H H 7.196 0.003 1 206 61 61 ARG CA C 56.222 0.260 1 207 61 61 ARG CB C 28.734 0.260 1 208 61 61 ARG N N 123.145 0.130 1 209 62 62 ILE H H 7.042 0.003 1 210 62 62 ILE CA C 57.853 0.260 1 211 62 62 ILE CB C 36.230 0.260 1 212 62 62 ILE N N 122.234 0.130 1 213 63 63 LYS H H 8.424 0.003 1 214 63 63 LYS CA C 55.674 0.260 1 215 63 63 LYS CB C 32.975 0.260 1 216 63 63 LYS N N 127.593 0.130 1 217 64 64 LEU H H 9.150 0.003 1 218 64 64 LEU CA C 54.707 0.260 1 219 64 64 LEU CB C 42.293 0.260 1 220 64 64 LEU N N 125.451 0.130 1 221 65 65 HIS H H 9.480 0.003 1 222 65 65 HIS CA C 54.687 0.260 1 223 65 65 HIS CB C 27.265 0.260 1 224 65 65 HIS N N 124.007 0.130 1 225 66 66 GLN H H 7.348 0.003 1 226 66 66 GLN CA C 55.121 0.260 1 227 66 66 GLN CB C 31.628 0.260 1 228 66 66 GLN N N 119.797 0.130 1 229 67 67 GLU H H 8.367 0.003 1 230 67 67 GLU CA C 58.490 0.260 1 231 67 67 GLU CB C 30.624 0.260 1 232 67 67 GLU N N 121.277 0.130 1 233 68 68 ASP H H 8.228 0.003 1 234 68 68 ASP CA C 57.165 0.260 1 235 68 68 ASP CB C 41.331 0.260 1 236 68 68 ASP N N 118.629 0.130 1 237 69 69 ASN H H 7.359 0.003 1 238 69 69 ASN CA C 53.958 0.260 1 239 69 69 ASN CB C 38.294 0.260 1 240 69 69 ASN N N 114.216 0.130 1 241 70 70 ASP H H 8.047 0.003 1 242 70 70 ASP CA C 53.831 0.260 1 243 70 70 ASP CB C 42.112 0.260 1 244 70 70 ASP N N 126.135 0.130 1 245 71 71 TYR H H 7.913 0.003 1 246 71 71 TYR CA C 61.438 0.260 1 247 71 71 TYR CB C 39.271 0.260 1 248 71 71 TYR N N 118.755 0.130 1 249 72 72 ILE H H 7.598 0.003 1 250 72 72 ILE CA C 59.381 0.260 1 251 72 72 ILE CB C 42.129 0.260 1 252 72 72 ILE N N 125.314 0.130 1 253 73 73 ASN H H 8.089 0.003 1 254 73 73 ASN CA C 53.101 0.260 1 255 73 73 ASN CB C 36.160 0.260 1 256 73 73 ASN N N 125.598 0.130 1 257 74 74 ALA H H 7.681 0.003 1 258 74 74 ALA CA C 52.392 0.260 1 259 74 74 ALA CB C 23.245 0.260 1 260 74 74 ALA N N 129.067 0.130 1 261 75 75 SER H H 8.861 0.003 1 262 75 75 SER CA C 58.029 0.260 1 263 75 75 SER CB C 67.493 0.260 1 264 75 75 SER N N 116.716 0.130 1 265 76 76 LEU H H 8.858 0.003 1 266 76 76 LEU CA C 54.750 0.260 1 267 76 76 LEU CB C 42.233 0.260 1 268 76 76 LEU N N 127.087 0.130 1 269 77 77 ILE H H 9.385 0.003 1 270 77 77 ILE CA C 60.818 0.260 1 271 77 77 ILE CB C 37.642 0.260 1 272 77 77 ILE N N 128.245 0.130 1 273 78 78 LYS CA C 55.400 0.260 1 274 78 78 LYS CB C 33.721 0.260 1 275 79 79 MET H H 8.137 0.003 1 276 79 79 MET CA C 52.654 0.260 1 277 79 79 MET CB C 29.943 0.260 1 278 79 79 MET N N 124.043 0.130 1 279 80 80 GLU H H 8.342 0.003 1 280 80 80 GLU CA C 60.712 0.260 1 281 80 80 GLU CB C 29.895 0.260 1 282 80 80 GLU N N 126.491 0.130 1 283 81 81 GLU H H 8.801 0.003 1 284 81 81 GLU CA C 59.643 0.260 1 285 81 81 GLU CB C 29.001 0.260 1 286 81 81 GLU N N 121.657 0.130 1 287 82 82 ALA H H 7.367 0.003 1 288 82 82 ALA CA C 53.428 0.260 1 289 82 82 ALA CB C 19.187 0.260 1 290 82 82 ALA N N 117.289 0.130 1 291 83 83 GLN H H 7.576 0.003 1 292 83 83 GLN CA C 56.607 0.260 1 293 83 83 GLN CB C 26.333 0.260 1 294 83 83 GLN N N 112.141 0.130 1 295 84 84 ARG H H 7.163 0.003 1 296 84 84 ARG CA C 55.174 0.260 1 297 84 84 ARG CB C 35.487 0.260 1 298 84 84 ARG N N 118.197 0.130 1 299 85 85 SER H H 7.604 0.003 1 300 85 85 SER CA C 57.144 0.260 1 301 85 85 SER CB C 66.588 0.260 1 302 85 85 SER N N 118.993 0.130 1 303 86 86 TYR H H 8.455 0.003 1 304 86 86 TYR CA C 55.809 0.260 1 305 86 86 TYR CB C 43.701 0.260 1 306 86 86 TYR N N 116.624 0.130 1 307 87 87 ILE H H 9.329 0.003 1 308 87 87 ILE CA C 61.007 0.260 1 309 87 87 ILE CB C 39.137 0.260 1 310 87 87 ILE N N 122.840 0.130 1 311 88 88 LEU H H 8.459 0.003 1 312 88 88 LEU CA C 54.237 0.260 1 313 88 88 LEU CB C 44.096 0.260 1 314 88 88 LEU N N 128.681 0.130 1 315 89 89 THR H H 8.386 0.003 1 316 89 89 THR CA C 58.360 0.260 1 317 89 89 THR CB C 72.258 0.260 1 318 89 89 THR N N 115.755 0.130 1 319 90 90 GLN H H 6.381 0.003 1 320 90 90 GLN CA C 53.228 0.260 1 321 90 90 GLN CB C 28.475 0.260 1 322 90 90 GLN N N 116.939 0.130 1 323 91 91 GLY H H 8.707 0.003 1 324 91 91 GLY CA C 45.489 0.260 1 325 91 91 GLY N N 112.673 0.130 1 326 92 92 PRO CA C 64.390 0.260 1 327 92 92 PRO CB C 32.450 0.260 1 328 93 93 LEU H H 7.914 0.003 1 329 93 93 LEU CA C 53.959 0.260 1 330 93 93 LEU CB C 42.183 0.260 1 331 93 93 LEU N N 123.979 0.130 1 332 94 94 PRO CA C 66.721 0.260 1 333 94 94 PRO CB C 31.777 0.260 1 334 95 95 ASN H H 8.512 0.003 1 335 95 95 ASN CA C 54.391 0.260 1 336 95 95 ASN CB C 37.453 0.260 1 337 95 95 ASN N N 106.935 0.130 1 338 96 96 THR H H 8.008 0.003 1 339 96 96 THR CA C 61.378 0.260 1 340 96 96 THR CB C 69.971 0.260 1 341 96 96 THR N N 111.702 0.130 1 342 97 97 CYS H H 7.521 0.003 1 343 97 97 CYS CA C 64.562 0.260 1 344 97 97 CYS CB C 28.613 0.260 1 345 97 97 CYS N N 121.461 0.130 1 346 98 98 GLY H H 8.222 0.003 1 347 98 98 GLY CA C 48.179 0.260 1 348 98 98 GLY N N 108.791 0.130 1 349 99 99 HIS H H 7.362 0.003 1 350 99 99 HIS CA C 57.515 0.260 1 351 99 99 HIS CB C 32.802 0.260 1 352 99 99 HIS N N 123.782 0.130 1 353 100 100 PHE H H 8.133 0.003 1 354 100 100 PHE CA C 62.466 0.260 1 355 100 100 PHE CB C 38.426 0.260 1 356 100 100 PHE N N 119.496 0.130 1 357 109 109 SER H H 7.427 0.003 1 358 109 109 SER CA C 61.840 0.260 1 359 109 109 SER CB C 63.210 0.260 1 360 109 109 SER N N 118.401 0.130 1 361 110 110 ARG H H 9.196 0.003 1 362 110 110 ARG CA C 55.560 0.260 1 363 110 110 ARG CB C 32.327 0.260 1 364 110 110 ARG N N 123.790 0.130 1 365 111 111 GLY H H 7.197 0.003 1 366 111 111 GLY CA C 44.395 0.260 1 367 111 111 GLY N N 102.412 0.130 1 368 112 112 VAL H H 8.728 0.003 1 369 112 112 VAL CA C 60.939 0.260 1 370 112 112 VAL CB C 35.753 0.260 1 371 112 112 VAL N N 120.746 0.130 1 372 115 115 LEU H H 7.778 0.003 1 373 115 115 LEU CA C 54.666 0.260 1 374 115 115 LEU CB C 43.240 0.260 1 375 115 115 LEU N N 124.603 0.130 1 376 116 116 ASN H H 7.409 0.003 1 377 116 116 ASN CA C 52.295 0.260 1 378 116 116 ASN CB C 41.747 0.260 1 379 116 116 ASN N N 115.015 0.130 1 380 117 117 ARG H H 9.146 0.003 1 381 117 117 ARG N N 119.984 0.130 1 382 118 118 VAL H H 8.767 0.003 1 383 118 118 VAL CA C 67.016 0.260 1 384 118 118 VAL CB C 31.992 0.260 1 385 118 118 VAL N N 121.340 0.130 1 386 122 122 GLY H H 8.498 0.003 1 387 122 122 GLY CA C 46.148 0.260 1 388 122 122 GLY N N 106.293 0.130 1 389 123 123 SER H H 7.854 0.003 1 390 123 123 SER CA C 57.927 0.260 1 391 123 123 SER CB C 65.494 0.260 1 392 123 123 SER N N 116.203 0.130 1 393 124 124 LEU H H 8.420 0.003 1 394 124 124 LEU CA C 56.110 0.260 1 395 124 124 LEU CB C 41.613 0.260 1 396 124 124 LEU N N 125.645 0.130 1 397 126 126 CYS CA C 58.072 0.260 1 398 126 126 CYS CB C 29.280 0.260 1 399 127 127 ALA H H 7.697 0.003 1 400 127 127 ALA CA C 52.205 0.260 1 401 127 127 ALA CB C 19.064 0.260 1 402 127 127 ALA N N 124.542 0.130 1 403 128 128 GLN H H 8.415 0.003 1 404 128 128 GLN CA C 55.889 0.260 1 405 128 128 GLN CB C 26.623 0.260 1 406 128 128 GLN N N 120.938 0.130 1 407 129 129 TYR H H 6.573 0.003 1 408 129 129 TYR CA C 56.808 0.260 1 409 129 129 TYR CB C 38.273 0.260 1 410 129 129 TYR N N 122.738 0.130 1 411 130 130 TRP H H 6.544 0.003 1 412 130 130 TRP HE1 H 9.431 0.003 1 413 130 130 TRP CA C 55.934 0.260 1 414 130 130 TRP CB C 30.635 0.260 1 415 130 130 TRP N N 120.949 0.130 1 416 130 130 TRP NE1 N 129.375 0.130 1 417 137 137 GLU CA C 54.682 0.260 1 418 137 137 GLU CB C 33.506 0.260 1 419 138 138 MET H H 8.789 0.003 1 420 138 138 MET CA C 55.755 0.260 1 421 138 138 MET CB C 38.579 0.260 1 422 138 138 MET N N 121.338 0.130 1 423 139 139 ILE H H 8.085 0.003 1 424 139 139 ILE CA C 60.466 0.260 1 425 139 139 ILE CB C 40.045 0.260 1 426 139 139 ILE N N 122.224 0.130 1 427 140 140 PHE H H 8.843 0.003 1 428 140 140 PHE CA C 57.015 0.260 1 429 140 140 PHE CB C 37.984 0.260 1 430 140 140 PHE N N 127.965 0.130 1 431 141 141 GLU H H 8.908 0.003 1 432 141 141 GLU CA C 59.508 0.260 1 433 141 141 GLU CB C 29.938 0.260 1 434 141 141 GLU N N 124.288 0.130 1 435 142 142 ASP H H 9.013 0.003 1 436 142 142 ASP CA C 56.320 0.260 1 437 142 142 ASP CB C 38.787 0.260 1 438 142 142 ASP N N 116.535 0.130 1 439 143 143 THR H H 7.398 0.003 1 440 143 143 THR CA C 60.915 0.260 1 441 143 143 THR CB C 69.245 0.260 1 442 143 143 THR N N 108.224 0.130 1 443 144 144 ASN H H 7.895 0.003 1 444 144 144 ASN CA C 54.267 0.260 1 445 144 144 ASN CB C 38.127 0.260 1 446 144 144 ASN N N 120.963 0.130 1 447 145 145 LEU H H 7.369 0.003 1 448 145 145 LEU CA C 54.006 0.260 1 449 145 145 LEU CB C 46.466 0.260 1 450 145 145 LEU N N 117.260 0.130 1 451 147 147 LEU H H 9.076 0.003 1 452 147 147 LEU CA C 53.226 0.260 1 453 147 147 LEU CB C 48.256 0.260 1 454 147 147 LEU N N 129.737 0.130 1 455 148 148 THR CA C 61.946 0.260 1 456 148 148 THR CB C 71.734 0.260 1 457 149 149 LEU H H 8.896 0.003 1 458 149 149 LEU CA C 55.849 0.260 1 459 149 149 LEU CB C 42.705 0.260 1 460 149 149 LEU N N 128.114 0.130 1 461 150 150 ILE H H 8.816 0.003 1 462 150 150 ILE CA C 61.772 0.260 1 463 150 150 ILE CB C 36.943 0.260 1 464 150 150 ILE N N 129.846 0.130 1 465 151 151 SER H H 7.721 0.003 1 466 151 151 SER CA C 58.281 0.260 1 467 151 151 SER CB C 65.873 0.260 1 468 151 151 SER N N 111.152 0.130 1 469 152 152 GLU H H 8.540 0.003 1 470 152 152 GLU CA C 56.428 0.260 1 471 152 152 GLU CB C 34.430 0.260 1 472 152 152 GLU N N 120.843 0.130 1 473 153 153 ASP H H 8.754 0.003 1 474 153 153 ASP CA C 53.765 0.260 1 475 153 153 ASP CB C 42.383 0.260 1 476 153 153 ASP N N 127.079 0.130 1 477 154 154 ILE H H 8.437 0.003 1 478 154 154 ILE CA C 62.756 0.260 1 479 154 154 ILE CB C 38.590 0.260 1 480 154 154 ILE N N 127.118 0.130 1 481 155 155 LYS H H 8.111 0.003 1 482 155 155 LYS CA C 54.398 0.260 1 483 155 155 LYS CB C 32.932 0.260 1 484 155 155 LYS N N 129.031 0.130 1 485 157 157 TYR H H 7.068 0.003 1 486 157 157 TYR CA C 56.329 0.260 1 487 157 157 TYR CB C 38.895 0.260 1 488 157 157 TYR N N 112.668 0.130 1 489 158 158 TYR H H 6.531 0.003 1 490 158 158 TYR CA C 56.510 0.260 1 491 158 158 TYR CB C 41.187 0.260 1 492 158 158 TYR N N 113.960 0.130 1 493 159 159 THR H H 9.302 0.003 1 494 159 159 THR CA C 61.557 0.260 1 495 159 159 THR CB C 73.846 0.260 1 496 159 159 THR N N 117.522 0.130 1 497 160 160 VAL H H 8.697 0.003 1 498 160 160 VAL CA C 60.311 0.260 1 499 160 160 VAL CB C 34.296 0.260 1 500 160 160 VAL N N 126.391 0.130 1 501 166 166 GLU CA C 53.765 0.260 1 502 167 167 ASN H H 8.143 0.003 1 503 167 167 ASN CA C 52.508 0.260 1 504 167 167 ASN CB C 38.182 0.260 1 505 167 167 ASN N N 124.470 0.130 1 506 168 168 LEU H H 8.213 0.003 1 507 168 168 LEU CA C 57.376 0.260 1 508 168 168 LEU CB C 40.995 0.260 1 509 168 168 LEU N N 125.960 0.130 1 510 169 169 THR H H 8.165 0.003 1 511 169 169 THR CA C 65.725 0.260 1 512 169 169 THR CB C 69.003 0.260 1 513 169 169 THR N N 115.068 0.130 1 514 170 170 THR H H 6.975 0.003 1 515 170 170 THR CA C 62.253 0.260 1 516 170 170 THR CB C 70.573 0.260 1 517 170 170 THR N N 109.409 0.130 1 518 171 171 GLN H H 8.307 0.003 1 519 171 171 GLN CA C 58.524 0.260 1 520 171 171 GLN CB C 26.294 0.260 1 521 171 171 GLN N N 116.683 0.130 1 522 172 172 GLU H H 7.386 0.003 1 523 172 172 GLU CA C 56.719 0.260 1 524 172 172 GLU CB C 33.535 0.260 1 525 172 172 GLU N N 119.626 0.130 1 526 173 173 THR H H 8.386 0.003 1 527 173 173 THR CA C 60.725 0.260 1 528 173 173 THR CB C 72.462 0.260 1 529 173 173 THR N N 113.608 0.130 1 530 177 177 LEU H H 8.375 0.003 1 531 177 177 LEU CA C 57.726 0.260 1 532 177 177 LEU CB C 41.342 0.260 1 533 177 177 LEU N N 118.710 0.130 1 534 182 182 THR H H 7.464 0.003 1 535 182 182 THR CA C 63.417 0.260 1 536 182 182 THR CB C 69.108 0.260 1 537 182 182 THR N N 115.959 0.130 1 538 183 183 THR H H 5.981 0.003 1 539 183 183 THR CA C 60.873 0.260 1 540 183 183 THR CB C 68.959 0.260 1 541 183 183 THR N N 107.492 0.130 1 542 184 184 TRP H H 8.729 0.003 1 543 184 184 TRP HE1 H 9.683 0.003 1 544 184 184 TRP N N 129.358 0.130 1 545 184 184 TRP NE1 N 131.997 0.130 1 546 186 186 ASP CA C 57.394 0.260 1 547 186 186 ASP CB C 41.517 0.260 1 548 187 187 PHE H H 7.500 0.003 1 549 187 187 PHE CA C 57.120 0.260 1 550 187 187 PHE CB C 41.384 0.260 1 551 187 187 PHE N N 114.774 0.130 1 552 188 188 GLY H H 8.314 0.003 1 553 188 188 GLY CA C 45.418 0.260 1 554 188 188 GLY N N 110.466 0.130 1 555 189 189 VAL H H 7.826 0.003 1 556 189 189 VAL CA C 58.193 0.260 1 557 189 189 VAL CB C 30.542 0.260 1 558 189 189 VAL N N 114.178 0.130 1 559 190 190 PRO CA C 63.267 0.260 1 560 190 190 PRO CB C 30.828 0.260 1 561 191 191 GLU H H 8.223 0.003 1 562 191 191 GLU CA C 58.522 0.260 1 563 191 191 GLU CB C 30.085 0.260 1 564 191 191 GLU N N 121.298 0.130 1 565 192 192 SER H H 7.673 0.003 1 566 192 192 SER CA C 53.586 0.260 1 567 192 192 SER CB C 63.678 0.260 1 568 192 192 SER N N 110.147 0.130 1 569 193 193 PRO CA C 56.601 0.260 1 570 193 193 PRO CB C 32.548 0.260 1 571 194 194 ALA H H 8.386 0.003 1 572 194 194 ALA CA C 53.851 0.260 1 573 194 194 ALA CB C 19.434 0.260 1 574 194 194 ALA N N 125.205 0.130 1 575 195 195 SER H H 8.053 0.003 1 576 195 195 SER CA C 59.550 0.260 1 577 195 195 SER CB C 64.097 0.260 1 578 195 195 SER N N 113.305 0.130 1 579 196 196 PHE H H 8.195 0.003 1 580 196 196 PHE CA C 58.095 0.260 1 581 196 196 PHE CB C 33.426 0.260 1 582 196 196 PHE N N 122.642 0.130 1 583 197 197 ALA H H 8.278 0.003 1 584 197 197 ALA CA C 55.758 0.260 1 585 197 197 ALA CB C 17.052 0.260 1 586 197 197 ALA N N 120.909 0.130 1 587 198 198 ASN H H 8.208 0.003 1 588 198 198 ASN CA C 55.703 0.260 1 589 198 198 ASN CB C 39.054 0.260 1 590 198 198 ASN N N 115.609 0.130 1 591 201 201 PHE H H 8.069 0.003 1 592 201 201 PHE CA C 55.325 0.260 1 593 201 201 PHE CB C 40.464 0.260 1 594 201 201 PHE N N 127.335 0.130 1 595 202 202 LYS H H 7.399 0.003 1 596 202 202 LYS CA C 57.940 0.260 1 597 202 202 LYS CB C 28.471 0.260 1 598 202 202 LYS N N 112.963 0.130 1 599 204 204 ARG H H 8.257 0.003 1 600 204 204 ARG CA C 60.469 0.260 1 601 204 204 ARG CB C 30.934 0.260 1 602 204 204 ARG N N 121.114 0.130 1 603 205 205 GLU H H 8.495 0.003 1 604 205 205 GLU CA C 59.072 0.260 1 605 205 205 GLU CB C 29.983 0.260 1 606 205 205 GLU N N 120.996 0.130 1 607 206 206 SER H H 7.218 0.003 1 608 206 206 SER CA C 60.641 0.260 1 609 206 206 SER CB C 66.527 0.260 1 610 206 206 SER N N 112.149 0.130 1 611 207 207 GLY H H 7.647 0.003 1 612 207 207 GLY CA C 46.496 0.260 1 613 207 207 GLY N N 110.290 0.130 1 614 208 208 SER H H 7.694 0.003 1 615 208 208 SER CA C 63.546 0.260 1 616 208 208 SER CB C 64.356 0.260 1 617 208 208 SER N N 113.971 0.130 1 618 209 209 LEU H H 8.156 0.003 1 619 209 209 LEU CA C 54.702 0.260 1 620 209 209 LEU CB C 40.592 0.260 1 621 209 209 LEU N N 116.701 0.130 1 622 210 210 SER H H 7.241 0.003 1 623 210 210 SER CA C 57.455 0.260 1 624 210 210 SER CB C 63.939 0.260 1 625 210 210 SER N N 116.104 0.130 1 626 211 211 PRO CA C 64.895 0.260 1 627 212 212 GLU H H 8.124 0.003 1 628 212 212 GLU CA C 57.978 0.260 1 629 212 212 GLU CB C 29.074 0.260 1 630 212 212 GLU N N 117.890 0.130 1 631 213 213 HIS H H 7.405 0.003 1 632 213 213 HIS CA C 54.650 0.260 1 633 213 213 HIS CB C 34.141 0.260 1 634 213 213 HIS N N 118.956 0.130 1 635 214 214 GLY H H 7.245 0.003 1 636 214 214 GLY CA C 44.820 0.260 1 637 214 214 GLY N N 104.647 0.130 1 638 216 216 VAL H H 8.956 0.003 1 639 216 216 VAL CA C 61.974 0.260 1 640 216 216 VAL CB C 31.740 0.260 1 641 216 216 VAL N N 125.866 0.130 1 642 217 217 VAL H H 7.622 0.003 1 643 217 217 VAL CA C 62.079 0.260 1 644 217 217 VAL CB C 32.652 0.260 1 645 217 217 VAL N N 126.544 0.130 1 646 218 218 VAL H H 9.495 0.003 1 647 218 218 VAL CA C 60.589 0.260 1 648 218 218 VAL CB C 34.121 0.260 1 649 218 218 VAL N N 129.071 0.130 1 650 219 219 HIS H H 9.083 0.003 1 651 219 219 HIS CA C 55.945 0.260 1 652 219 219 HIS CB C 35.174 0.260 1 653 219 219 HIS N N 121.814 0.130 1 654 220 220 CYS H H 6.019 0.003 1 655 220 220 CYS CA C 57.366 0.260 1 656 220 220 CYS CB C 29.181 0.260 1 657 220 220 CYS N N 120.310 0.130 1 658 223 223 GLY H H 8.767 0.003 1 659 223 223 GLY CA C 48.175 0.260 1 660 223 223 GLY N N 112.194 0.130 1 661 224 224 ILE H H 7.193 0.003 1 662 224 224 ILE CB C 40.528 0.260 1 663 224 224 ILE N N 108.241 0.130 1 664 225 225 GLY CA C 48.214 0.260 1 665 226 226 ARG H H 8.227 0.003 1 666 226 226 ARG CA C 60.258 0.260 1 667 226 226 ARG CB C 29.998 0.260 1 668 226 226 ARG N N 129.530 0.130 1 669 227 227 SER CA C 63.641 0.260 1 670 228 228 GLY H H 6.361 0.003 1 671 228 228 GLY CA C 47.685 0.260 1 672 228 228 GLY N N 106.382 0.130 1 673 229 229 THR H H 7.610 0.003 1 674 229 229 THR CA C 67.185 0.260 1 675 229 229 THR CB C 69.042 0.260 1 676 229 229 THR N N 116.986 0.130 1 677 230 230 PHE H H 7.367 0.003 1 678 230 230 PHE CA C 63.066 0.260 1 679 230 230 PHE N N 119.888 0.130 1 680 231 231 CYS H H 7.333 0.003 1 681 231 231 CYS CA C 62.620 0.260 1 682 231 231 CYS CB C 26.834 0.260 1 683 231 231 CYS N N 115.447 0.130 1 684 232 232 LEU H H 8.429 0.003 1 685 232 232 LEU CA C 58.665 0.260 1 686 232 232 LEU CB C 43.029 0.260 1 687 232 232 LEU N N 121.690 0.130 1 688 233 233 ALA H H 7.918 0.003 1 689 233 233 ALA CA C 55.534 0.260 1 690 233 233 ALA CB C 16.824 0.260 1 691 233 233 ALA N N 119.804 0.130 1 692 234 234 ASP H H 7.429 0.003 1 693 234 234 ASP CA C 58.856 0.260 1 694 234 234 ASP CB C 41.591 0.260 1 695 234 234 ASP N N 114.422 0.130 1 696 235 235 THR H H 8.406 0.003 1 697 235 235 THR CA C 69.575 0.260 1 698 235 235 THR CB C 68.317 0.260 1 699 235 235 THR N N 115.088 0.130 1 700 236 236 CYS H H 8.300 0.003 1 701 236 236 CYS CA C 66.465 0.260 1 702 236 236 CYS CB C 27.677 0.260 1 703 236 236 CYS N N 118.145 0.130 1 704 237 237 LEU H H 7.740 0.003 1 705 237 237 LEU CA C 58.510 0.260 1 706 237 237 LEU CB C 41.664 0.260 1 707 237 237 LEU N N 117.921 0.130 1 708 239 239 LEU H H 7.840 0.003 1 709 239 239 LEU CA C 58.488 0.260 1 710 239 239 LEU CB C 42.220 0.260 1 711 239 239 LEU N N 121.966 0.130 1 712 240 240 MET H H 7.949 0.003 1 713 240 240 MET CA C 60.111 0.260 1 714 240 240 MET CB C 33.618 0.260 1 715 240 240 MET N N 117.760 0.130 1 716 241 241 ASP H H 7.074 0.003 1 717 241 241 ASP CA C 56.336 0.260 1 718 241 241 ASP CB C 43.041 0.260 1 719 241 241 ASP N N 116.326 0.130 1 720 242 242 LYS H H 7.832 0.003 1 721 242 242 LYS CA C 58.536 0.260 1 722 242 242 LYS CB C 33.986 0.260 1 723 242 242 LYS N N 116.901 0.130 1 724 243 243 ARG H H 7.810 0.003 1 725 243 243 ARG CA C 57.338 0.260 1 726 243 243 ARG CB C 30.599 0.260 1 727 243 243 ARG N N 118.316 0.130 1 728 244 244 LYS H H 7.977 0.003 1 729 244 244 LYS N N 119.104 0.130 1 730 246 246 PRO CA C 65.264 0.260 1 731 247 247 SER H H 8.046 0.003 1 732 247 247 SER CA C 60.684 0.260 1 733 247 247 SER CB C 63.917 0.260 1 734 247 247 SER N N 113.649 0.130 1 735 248 248 SER H H 7.630 0.003 1 736 248 248 SER CA C 59.514 0.260 1 737 248 248 SER CB C 64.913 0.260 1 738 248 248 SER N N 115.508 0.130 1 739 249 249 VAL H H 7.203 0.003 1 740 249 249 VAL CA C 64.029 0.260 1 741 249 249 VAL CB C 31.677 0.260 1 742 249 249 VAL N N 123.698 0.130 1 743 250 250 ASP H H 8.360 0.003 1 744 250 250 ASP CA C 52.251 0.260 1 745 250 250 ASP CB C 42.336 0.260 1 746 250 250 ASP N N 129.798 0.130 1 747 251 251 ILE H H 8.581 0.003 1 748 251 251 ILE CA C 66.031 0.260 1 749 251 251 ILE CB C 37.914 0.260 1 750 251 251 ILE N N 126.871 0.130 1 751 252 252 LYS H H 7.847 0.003 1 752 252 252 LYS CA C 60.810 0.260 1 753 252 252 LYS CB C 31.037 0.260 1 754 252 252 LYS N N 118.501 0.130 1 755 253 253 LYS H H 7.073 0.003 1 756 253 253 LYS CA C 59.888 0.260 1 757 253 253 LYS CB C 32.665 0.260 1 758 253 253 LYS N N 117.573 0.130 1 759 254 254 VAL H H 8.036 0.003 1 760 254 254 VAL CA C 67.012 0.260 1 761 254 254 VAL CB C 31.439 0.260 1 762 254 254 VAL N N 121.849 0.130 1 763 255 255 LEU H H 8.280 0.003 1 764 255 255 LEU CA C 58.664 0.260 1 765 255 255 LEU CB C 40.815 0.260 1 766 255 255 LEU N N 120.776 0.130 1 767 256 256 LEU H H 8.173 0.003 1 768 256 256 LEU CA C 58.804 0.260 1 769 256 256 LEU CB C 42.109 0.260 1 770 256 256 LEU N N 119.106 0.130 1 771 258 258 MET CA C 61.392 0.260 1 772 259 259 ARG H H 8.445 0.003 1 773 259 259 ARG CA C 58.738 0.260 1 774 259 259 ARG CB C 30.615 0.260 1 775 259 259 ARG N N 117.804 0.130 1 776 260 260 LYS H H 7.559 0.003 1 777 260 260 LYS CA C 59.356 0.260 1 778 260 260 LYS CB C 31.764 0.260 1 779 260 260 LYS N N 119.107 0.130 1 780 261 261 PHE H H 8.114 0.003 1 781 261 261 PHE CA C 59.951 0.260 1 782 261 261 PHE CB C 41.707 0.260 1 783 261 261 PHE N N 112.773 0.130 1 784 262 262 ARG H H 7.378 0.003 1 785 262 262 ARG CA C 57.201 0.260 1 786 262 262 ARG CB C 32.492 0.260 1 787 262 262 ARG N N 120.703 0.130 1 788 263 263 MET H H 8.292 0.003 1 789 263 263 MET CA C 55.816 0.260 1 790 263 263 MET CB C 32.600 0.260 1 791 263 263 MET N N 122.388 0.130 1 792 264 264 GLY H H 8.752 0.003 1 793 264 264 GLY CA C 47.133 0.260 1 794 264 264 GLY N N 101.919 0.130 1 795 265 265 LEU H H 6.308 0.003 1 796 265 265 LEU CA C 56.331 0.260 1 797 265 265 LEU CB C 41.943 0.260 1 798 265 265 LEU N N 115.220 0.130 1 799 266 266 ILE H H 8.234 0.003 1 800 266 266 ILE CA C 65.054 0.260 1 801 266 266 ILE N N 115.582 0.130 1 802 267 267 GLN H H 8.721 0.003 1 803 267 267 GLN CA C 58.020 0.260 1 804 267 267 GLN CB C 33.256 0.260 1 805 267 267 GLN N N 126.264 0.130 1 806 268 268 THR H H 6.587 0.003 1 807 268 268 THR CA C 58.395 0.260 1 808 268 268 THR CB C 73.872 0.260 1 809 268 268 THR N N 105.160 0.130 1 810 269 269 ALA H H 8.535 0.003 1 811 269 269 ALA CA C 55.015 0.260 1 812 269 269 ALA CB C 17.737 0.260 1 813 269 269 ALA N N 123.683 0.130 1 814 270 270 ASP H H 7.780 0.003 1 815 270 270 ASP CA C 57.287 0.260 1 816 270 270 ASP CB C 40.255 0.260 1 817 270 270 ASP N N 116.262 0.130 1 818 271 271 GLN H H 7.763 0.003 1 819 271 271 GLN CA C 59.544 0.260 1 820 271 271 GLN CB C 28.763 0.260 1 821 271 271 GLN N N 120.041 0.130 1 822 272 272 LEU H H 7.447 0.003 1 823 272 272 LEU CA C 59.115 0.260 1 824 272 272 LEU CB C 41.436 0.260 1 825 272 272 LEU N N 124.313 0.130 1 826 273 273 ARG H H 7.748 0.003 1 827 273 273 ARG CA C 60.067 0.260 1 828 273 273 ARG CB C 29.413 0.260 1 829 273 273 ARG N N 121.339 0.130 1 830 274 274 PHE H H 8.122 0.003 1 831 274 274 PHE CA C 62.234 0.260 1 832 274 274 PHE CB C 39.916 0.260 1 833 274 274 PHE N N 117.468 0.130 1 834 275 275 SER H H 7.948 0.003 1 835 275 275 SER CA C 62.429 0.260 1 836 275 275 SER CB C 63.496 0.260 1 837 275 275 SER N N 115.810 0.130 1 838 276 276 TYR H H 7.857 0.003 1 839 276 276 TYR N N 120.925 0.130 1 840 277 277 LEU H H 8.269 0.003 1 841 277 277 LEU CA C 58.398 0.260 1 842 277 277 LEU CB C 42.517 0.260 1 843 277 277 LEU N N 118.852 0.130 1 844 278 278 ALA H H 8.452 0.003 1 845 278 278 ALA CA C 55.586 0.260 1 846 278 278 ALA CB C 17.364 0.260 1 847 278 278 ALA N N 121.399 0.130 1 848 279 279 VAL H H 7.571 0.003 1 849 279 279 VAL CB C 31.244 0.260 1 850 279 279 VAL N N 118.585 0.130 1 851 280 280 ILE H H 8.394 0.003 1 852 280 280 ILE N N 120.125 0.130 1 853 282 282 GLY H H 8.384 0.003 1 854 282 282 GLY CA C 47.720 0.260 1 855 282 282 GLY N N 106.944 0.130 1 856 283 283 ALA H H 8.679 0.003 1 857 283 283 ALA CA C 55.213 0.260 1 858 283 283 ALA CB C 18.029 0.260 1 859 283 283 ALA N N 124.610 0.130 1 860 284 284 LYS H H 7.526 0.003 1 861 284 284 LYS CA C 59.751 0.260 1 862 284 284 LYS CB C 32.357 0.260 1 863 284 284 LYS N N 116.907 0.130 1 864 285 285 PHE H H 7.522 0.003 1 865 285 285 PHE CA C 60.010 0.260 1 866 285 285 PHE CB C 38.852 0.260 1 867 285 285 PHE N N 117.577 0.130 1 868 286 286 ILE H H 7.581 0.003 1 869 286 286 ILE CA C 63.620 0.260 1 870 286 286 ILE CB C 38.669 0.260 1 871 286 286 ILE N N 118.212 0.130 1 872 287 287 MET H H 7.985 0.003 1 873 287 287 MET CA C 56.388 0.260 1 874 287 287 MET CB C 32.878 0.260 1 875 287 287 MET N N 119.266 0.130 1 876 288 288 GLY H H 7.713 0.003 1 877 288 288 GLY CA C 46.012 0.260 1 878 288 288 GLY N N 108.700 0.130 1 879 289 289 ASP H H 8.018 0.003 1 880 289 289 ASP CA C 54.840 0.260 1 881 289 289 ASP CB C 41.803 0.260 1 882 289 289 ASP N N 120.768 0.130 1 883 290 290 SER H H 8.309 0.003 1 884 290 290 SER CA C 60.057 0.260 1 885 290 290 SER CB C 63.840 0.260 1 886 290 290 SER N N 118.382 0.130 1 887 291 291 SER H H 8.313 0.003 1 888 291 291 SER CA C 59.675 0.260 1 889 291 291 SER CB C 63.864 0.260 1 890 291 291 SER N N 118.463 0.130 1 891 292 292 VAL H H 7.759 0.003 1 892 292 292 VAL CA C 63.538 0.260 1 893 292 292 VAL CB C 32.287 0.260 1 894 292 292 VAL N N 121.380 0.130 1 895 293 293 GLN H H 8.329 0.003 1 896 293 293 GLN CA C 55.765 0.260 1 897 293 293 GLN CB C 29.683 0.260 1 898 293 293 GLN N N 119.424 0.130 1 899 294 294 ASP H H 8.069 0.003 1 900 294 294 ASP CA C 55.848 0.260 1 901 294 294 ASP CB C 40.962 0.260 1 902 294 294 ASP N N 125.898 0.130 1 903 295 295 GLN H H 8.029 0.003 1 904 295 295 GLN CA C 57.563 0.260 1 905 295 295 GLN CB C 28.964 0.260 1 906 295 295 GLN N N 120.293 0.130 1 907 296 296 TRP H H 8.025 0.003 1 908 296 296 TRP HE1 H 10.108 0.003 1 909 296 296 TRP CA C 58.664 0.260 1 910 296 296 TRP CB C 29.226 0.260 1 911 296 296 TRP N N 121.360 0.130 1 912 296 296 TRP NE1 N 129.798 0.130 1 913 297 297 LYS H H 7.672 0.003 1 914 297 297 LYS CA C 57.876 0.260 1 915 297 297 LYS CB C 32.958 0.260 1 916 297 297 LYS N N 122.504 0.130 1 917 298 298 GLU H H 7.966 0.003 1 918 298 298 GLU CA C 57.462 0.260 1 919 298 298 GLU CB C 29.994 0.260 1 920 298 298 GLU N N 120.993 0.130 1 921 299 299 LEU H H 7.948 0.003 1 922 299 299 LEU CA C 55.986 0.260 1 923 299 299 LEU CB C 42.178 0.260 1 924 299 299 LEU N N 122.551 0.130 1 925 300 300 SER H H 8.074 0.003 1 926 300 300 SER CA C 58.879 0.260 1 927 300 300 SER CB C 64.150 0.260 1 928 300 300 SER N N 115.925 0.130 1 929 301 301 HIS H H 8.360 0.003 1 930 301 301 HIS CA C 56.636 0.260 1 931 301 301 HIS N N 122.593 0.130 1 932 303 303 ASP H H 8.263 0.003 1 933 303 303 ASP CA C 55.045 0.260 1 934 303 303 ASP CB C 41.437 0.260 1 935 303 303 ASP N N 121.575 0.130 1 936 304 304 LEU H H 7.889 0.003 1 937 304 304 LEU CA C 55.449 0.260 1 938 304 304 LEU CB C 42.316 0.260 1 939 304 304 LEU N N 122.754 0.130 1 940 305 305 GLU H H 7.884 0.003 1 941 305 305 GLU CA C 54.603 0.260 1 942 305 305 GLU CB C 30.669 0.260 1 943 305 305 GLU N N 120.630 0.130 1 stop_ save_