data_26832 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical shift assignments for Protein Tyrosine Phosphatase 1B YAYA (Y152A, Y153A) variant. ; _BMRB_accession_number 26832 _BMRB_flat_file_name bmr26832.str _Entry_type original _Submission_date 2016-06-22 _Accession_date 2016-06-22 _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" 246 "13C chemical shifts" 494 "15N chemical shifts" 246 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-20 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 19224 'PTP1B (residues 1-393)' stop_ _Original_release_date 2016-06-22 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 YAYA (Y152A, Y153A) variant' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Protein Tyrosine Phosphatase 1B YAYA (Y152A, Y153A) variant' $PTP1B_Y152A_Y153A_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_Y152A_Y153A_mutant _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PTP1B_Y152A_Y153A_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 EDTNLKLTLISEDIKSAATV RQLELENLTTQETREILHFH YTTWPDFGVPESPASFLNFL 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 ALA 158 158 ALA 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 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_Y152A_Y153A_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_Y152A_Y153A_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_Y152A_Y153A_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 '% v/v' 'natural abundance' D2O 10 '% v/v' '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_Y152A_Y153A_mutant 0.2 mM '[U-99% 2H; U-99% 15N; U-99% 13C]' HEPES 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' H2O 90 '% v/v' 'natural abundance' D2O 10 '% v/v' '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 IIIHD' _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 YAYA (Y152A, Y153A) 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 7.670 0.003 1 2 5 5 SER CA C 61.811 0.26 1 3 5 5 SER CB C 63.338 0.26 1 4 5 5 SER N N 114.293 0.13 1 5 6 6 MET H H 8.574 0.003 1 6 6 6 MET CA C 60.042 0.26 1 7 6 6 MET CB C 33.936 0.26 1 8 6 6 MET N N 119.273 0.13 1 9 7 7 GLU H H 7.870 0.003 1 10 7 7 GLU CA C 60.494 0.26 1 11 7 7 GLU N N 119.723 0.13 1 12 8 8 MET H H 7.636 0.003 1 13 8 8 MET CA C 60.083 0.26 1 14 8 8 MET CB C 32.203 0.26 1 15 8 8 MET N N 120.842 0.13 1 16 10 10 LYS H H 8.299 0.003 1 17 10 10 LYS CA C 59.955 0.26 1 18 10 10 LYS N N 119.880 0.13 1 19 11 11 GLU H H 8.128 0.003 1 20 11 11 GLU CA C 60.339 0.26 1 21 11 11 GLU CB C 30.298 0.26 1 22 11 11 GLU N N 121.782 0.13 1 23 12 12 PHE H H 8.451 0.003 1 24 12 12 PHE CA C 63.008 0.26 1 25 12 12 PHE CB C 40.781 0.26 1 26 12 12 PHE N N 119.658 0.13 1 27 13 13 GLU H H 8.157 0.003 1 28 13 13 GLU CA C 60.123 0.26 1 29 13 13 GLU CB C 30.030 0.26 1 30 13 13 GLU N N 117.820 0.13 1 31 14 14 GLN H H 7.698 0.003 1 32 14 14 GLN CA C 59.590 0.26 1 33 14 14 GLN CB C 28.463 0.26 1 34 14 14 GLN N N 119.098 0.13 1 35 15 15 ILE H H 8.095 0.003 1 36 15 15 ILE CA C 65.671 0.26 1 37 15 15 ILE CB C 38.433 0.26 1 38 15 15 ILE N N 123.183 0.13 1 39 16 16 ASP H H 8.323 0.003 1 40 16 16 ASP CA C 58.307 0.26 1 41 16 16 ASP CB C 42.080 0.26 1 42 16 16 ASP N N 119.561 0.13 1 43 17 17 LYS H H 8.288 0.003 1 44 17 17 LYS CA C 59.562 0.26 1 45 17 17 LYS CB C 32.443 0.26 1 46 17 17 LYS N N 118.192 0.13 1 47 18 18 SER H H 7.473 0.003 1 48 18 18 SER CA C 59.221 0.26 1 49 18 18 SER CB C 65.109 0.26 1 50 18 18 SER N N 111.499 0.13 1 51 19 19 GLY H H 7.746 0.003 1 52 19 19 GLY CA C 47.657 0.26 1 53 19 19 GLY N N 113.264 0.13 1 54 20 20 SER H H 7.715 0.003 1 55 20 20 SER CA C 59.608 0.26 1 56 20 20 SER CB C 64.201 0.26 1 57 20 20 SER N N 111.567 0.13 1 58 21 21 TRP H H 7.042 0.003 1 59 21 21 TRP HE1 H 10.955 0.003 1 60 21 21 TRP CA C 61.245 0.26 1 61 21 21 TRP CB C 29.441 0.26 1 62 21 21 TRP N N 121.943 0.13 1 63 21 21 TRP NE1 N 131.048 0.13 1 64 22 22 ALA H H 8.595 0.003 1 65 22 22 ALA CA C 56.281 0.26 1 66 22 22 ALA CB C 18.101 0.26 1 67 22 22 ALA N N 119.536 0.13 1 68 23 23 ALA H H 7.563 0.003 1 69 23 23 ALA CA C 55.761 0.26 1 70 23 23 ALA CB C 18.417 0.26 1 71 23 23 ALA N N 122.870 0.13 1 72 24 24 ILE H H 7.845 0.003 1 73 24 24 ILE CA C 64.095 0.26 1 74 24 24 ILE CB C 37.456 0.26 1 75 24 24 ILE N N 119.437 0.13 1 76 25 25 TYR H H 8.453 0.003 1 77 25 25 TYR CA C 62.972 0.26 1 78 25 25 TYR CB C 39.099 0.26 1 79 25 25 TYR N N 120.245 0.13 1 80 26 26 GLN H H 8.062 0.003 1 81 26 26 GLN CA C 59.296 0.26 1 82 26 26 GLN CB C 28.464 0.26 1 83 26 26 GLN N N 118.221 0.13 1 84 27 27 ASP H H 7.696 0.003 1 85 27 27 ASP CA C 58.398 0.26 1 86 27 27 ASP CB C 40.507 0.26 1 87 27 27 ASP N N 120.760 0.13 1 88 28 28 ILE H H 7.543 0.003 1 89 28 28 ILE CA C 65.621 0.26 1 90 28 28 ILE CB C 37.622 0.26 1 91 28 28 ILE N N 120.526 0.13 1 92 29 29 ARG H H 7.593 0.003 1 93 29 29 ARG CA C 60.589 0.26 1 94 29 29 ARG CB C 30.282 0.26 1 95 29 29 ARG N N 117.838 0.13 1 96 30 30 HIS H H 8.031 0.003 1 97 30 30 HIS CA C 58.795 0.26 1 98 30 30 HIS CB C 30.314 0.26 1 99 30 30 HIS N N 116.809 0.13 1 100 31 31 GLU H H 7.675 0.003 1 101 31 31 GLU CA C 57.049 0.26 1 102 31 31 GLU CB C 31.238 0.26 1 103 31 31 GLU N N 117.910 0.13 1 104 32 32 ALA H H 7.301 0.003 1 105 32 32 ALA CA C 53.567 0.26 1 106 32 32 ALA CB C 19.696 0.26 1 107 32 32 ALA N N 123.503 0.13 1 108 33 33 SER H H 7.869 0.003 1 109 33 33 SER CA C 60.130 0.26 1 110 33 33 SER CB C 65.515 0.26 1 111 33 33 SER N N 117.345 0.13 1 112 34 34 ASP H H 7.973 0.003 1 113 34 34 ASP CA C 54.286 0.26 1 114 34 34 ASP CB C 44.076 0.26 1 115 34 34 ASP N N 122.622 0.13 1 116 35 35 PHE H H 6.669 0.003 1 117 35 35 PHE CA C 55.997 0.26 1 118 35 35 PHE CB C 41.376 0.26 1 119 35 35 PHE N N 119.639 0.13 1 120 36 36 PRO CA C 65.189 0.26 1 121 36 36 PRO CB C 33.303 0.26 1 122 37 37 CYS H H 9.045 0.003 1 123 37 37 CYS CA C 57.108 0.26 1 124 37 37 CYS CB C 29.056 0.26 1 125 37 37 CYS N N 126.417 0.13 1 126 38 38 ARG H H 9.405 0.003 1 127 38 38 ARG CA C 60.583 0.26 1 128 38 38 ARG CB C 30.924 0.26 1 129 38 38 ARG N N 121.959 0.13 1 130 39 39 VAL H H 9.426 0.003 1 131 39 39 VAL CA C 67.624 0.26 1 132 39 39 VAL CB C 31.039 0.26 1 133 39 39 VAL N N 121.632 0.13 1 134 40 40 ALA H H 8.425 0.003 1 135 40 40 ALA CA C 55.385 0.26 1 136 40 40 ALA CB C 21.461 0.26 1 137 40 40 ALA N N 121.766 0.13 1 138 41 41 LYS H H 6.692 0.003 1 139 41 41 LYS CA C 56.051 0.26 1 140 41 41 LYS CB C 33.178 0.26 1 141 41 41 LYS N N 111.313 0.13 1 142 42 42 LEU H H 7.377 0.003 1 143 42 42 LEU CA C 54.829 0.26 1 144 42 42 LEU CB C 41.425 0.26 1 145 42 42 LEU N N 123.629 0.13 1 146 43 43 PRO CA C 67.141 0.26 1 147 44 44 LYS H H 8.017 0.003 1 148 44 44 LYS CA C 58.719 0.26 1 149 44 44 LYS CB C 31.678 0.26 1 150 44 44 LYS N N 114.266 0.13 1 151 45 45 ASN H H 7.637 0.003 1 152 45 45 ASN CA C 53.736 0.26 1 153 45 45 ASN CB C 39.985 0.26 1 154 45 45 ASN N N 117.014 0.13 1 155 46 46 LYS H H 7.301 0.003 1 156 46 46 LYS CA C 61.498 0.26 1 157 46 46 LYS CB C 32.779 0.26 1 158 46 46 LYS N N 123.648 0.13 1 159 47 47 ASN H H 8.287 0.003 1 160 47 47 ASN CA C 53.747 0.26 1 161 47 47 ASN CB C 37.596 0.26 1 162 47 47 ASN N N 113.857 0.13 1 163 48 48 ARG H H 7.779 0.003 1 164 48 48 ARG CA C 56.883 0.26 1 165 48 48 ARG CB C 31.755 0.26 1 166 48 48 ARG N N 115.250 0.13 1 167 49 49 ASN H H 7.383 0.003 1 168 49 49 ASN CA C 53.251 0.26 1 169 49 49 ASN CB C 41.973 0.26 1 170 49 49 ASN N N 119.995 0.13 1 171 50 50 ARG H H 9.103 0.003 1 172 50 50 ARG CA C 59.920 0.26 1 173 50 50 ARG CB C 31.269 0.26 1 174 50 50 ARG N N 126.244 0.13 1 175 51 51 TYR H H 9.323 0.003 1 176 51 51 TYR CA C 56.785 0.26 1 177 51 51 TYR CB C 40.672 0.26 1 178 51 51 TYR N N 117.472 0.13 1 179 52 52 ARG CA C 59.122 0.26 1 180 52 52 ARG CB C 30.211 0.26 1 181 53 53 ASP H H 8.494 0.003 1 182 53 53 ASP CA C 54.077 0.26 1 183 53 53 ASP CB C 40.937 0.26 1 184 53 53 ASP N N 113.232 0.13 1 185 54 54 VAL H H 6.902 0.003 1 186 54 54 VAL CA C 63.472 0.26 1 187 54 54 VAL CB C 32.920 0.26 1 188 54 54 VAL N N 119.607 0.13 1 189 55 55 SER H H 7.836 0.003 1 190 55 55 SER CA C 56.444 0.26 1 191 55 55 SER CB C 65.590 0.26 1 192 55 55 SER N N 123.672 0.13 1 193 56 56 PRO CA C 63.325 0.26 1 194 56 56 PRO CB C 32.523 0.26 1 195 57 57 PHE H H 7.126 0.003 1 196 57 57 PHE CA C 56.359 0.26 1 197 57 57 PHE CB C 39.863 0.26 1 198 57 57 PHE N N 124.562 0.13 1 199 58 58 ASP H H 9.180 0.003 1 200 58 58 ASP CA C 59.752 0.26 1 201 58 58 ASP CB C 41.123 0.26 1 202 58 58 ASP N N 124.739 0.13 1 203 59 59 HIS H H 8.920 0.003 1 204 59 59 HIS CA C 59.969 0.26 1 205 59 59 HIS CB C 30.914 0.26 1 206 59 59 HIS N N 115.590 0.13 1 207 60 60 SER H H 6.256 0.003 1 208 60 60 SER CA C 56.376 0.26 1 209 60 60 SER CB C 64.638 0.26 1 210 60 60 SER N N 108.452 0.13 1 211 61 61 ARG H H 7.195 0.003 1 212 61 61 ARG CA C 56.400 0.26 1 213 61 61 ARG CB C 28.988 0.26 1 214 61 61 ARG N N 123.224 0.13 1 215 62 62 ILE H H 7.022 0.003 1 216 62 62 ILE CA C 58.063 0.26 1 217 62 62 ILE CB C 36.501 0.26 1 218 62 62 ILE N N 122.238 0.13 1 219 63 63 LYS H H 8.419 0.003 1 220 63 63 LYS CA C 55.903 0.26 1 221 63 63 LYS CB C 33.256 0.26 1 222 63 63 LYS N N 127.730 0.13 1 223 64 64 LEU H H 9.131 0.003 1 224 64 64 LEU CA C 54.928 0.26 1 225 64 64 LEU CB C 42.648 0.26 1 226 64 64 LEU N N 125.543 0.13 1 227 65 65 HIS H H 9.468 0.003 1 228 65 65 HIS CA C 54.696 0.26 1 229 65 65 HIS CB C 27.673 0.26 1 230 65 65 HIS N N 124.128 0.13 1 231 66 66 GLN H H 7.344 0.003 1 232 66 66 GLN CA C 55.355 0.26 1 233 66 66 GLN CB C 31.923 0.26 1 234 66 66 GLN N N 119.845 0.13 1 235 67 67 GLU H H 8.355 0.003 1 236 67 67 GLU CA C 58.755 0.26 1 237 67 67 GLU CB C 31.221 0.26 1 238 67 67 GLU N N 121.293 0.13 1 239 68 68 ASP H H 8.219 0.003 1 240 68 68 ASP CA C 57.394 0.26 1 241 68 68 ASP CB C 41.669 0.26 1 242 68 68 ASP N N 118.720 0.13 1 243 69 69 ASN H H 7.357 0.003 1 244 69 69 ASN CA C 54.206 0.26 1 245 69 69 ASN CB C 38.605 0.26 1 246 69 69 ASN N N 114.290 0.13 1 247 70 70 ASP H H 8.040 0.003 1 248 70 70 ASP CA C 53.918 0.26 1 249 70 70 ASP CB C 42.246 0.26 1 250 70 70 ASP N N 126.253 0.13 1 251 71 71 TYR H H 7.906 0.003 1 252 71 71 TYR CA C 61.688 0.26 1 253 71 71 TYR CB C 39.650 0.26 1 254 71 71 TYR N N 118.792 0.13 1 255 72 72 ILE H H 7.604 0.003 1 256 72 72 ILE CA C 59.641 0.26 1 257 72 72 ILE CB C 42.567 0.26 1 258 72 72 ILE N N 125.375 0.13 1 259 73 73 ASN H H 8.071 0.003 1 260 73 73 ASN CA C 53.458 0.26 1 261 73 73 ASN CB C 36.458 0.26 1 262 73 73 ASN N N 125.597 0.13 1 263 74 74 ALA H H 7.664 0.003 1 264 74 74 ALA CA C 52.576 0.26 1 265 74 74 ALA CB C 23.536 0.26 1 266 74 74 ALA N N 129.243 0.13 1 267 75 75 SER H H 8.858 0.003 1 268 75 75 SER CA C 58.294 0.26 1 269 75 75 SER CB C 67.887 0.26 1 270 75 75 SER N N 116.888 0.13 1 271 76 76 LEU H H 8.817 0.003 1 272 76 76 LEU CA C 55.031 0.26 1 273 76 76 LEU CB C 42.597 0.26 1 274 76 76 LEU N N 127.167 0.13 1 275 77 77 ILE H H 9.381 0.003 1 276 77 77 ILE CA C 61.151 0.26 1 277 77 77 ILE CB C 38.164 0.26 1 278 77 77 ILE N N 128.143 0.13 1 279 78 78 LYS CA C 56.030 0.26 1 280 78 78 LYS CB C 34.037 0.26 1 281 79 79 MET H H 8.184 0.003 1 282 79 79 MET CA C 52.837 0.26 1 283 79 79 MET CB C 30.302 0.26 1 284 79 79 MET N N 124.004 0.13 1 285 80 80 GLU H H 8.338 0.003 1 286 80 80 GLU CA C 61.010 0.26 1 287 80 80 GLU CB C 30.221 0.26 1 288 80 80 GLU N N 126.270 0.13 1 289 81 81 GLU H H 8.820 0.003 1 290 81 81 GLU CA C 59.997 0.26 1 291 81 81 GLU CB C 29.502 0.26 1 292 81 81 GLU N N 121.630 0.13 1 293 82 82 ALA H H 7.303 0.003 1 294 82 82 ALA CA C 53.090 0.26 1 295 82 82 ALA CB C 19.495 0.26 1 296 82 82 ALA N N 117.249 0.13 1 297 83 83 GLN H H 7.616 0.003 1 298 83 83 GLN CA C 56.962 0.26 1 299 83 83 GLN CB C 26.756 0.26 1 300 83 83 GLN N N 112.559 0.13 1 301 84 84 ARG H H 7.115 0.003 1 302 84 84 ARG CA C 54.709 0.26 1 303 84 84 ARG N N 117.822 0.13 1 304 85 85 SER H H 7.666 0.003 1 305 85 85 SER CA C 57.417 0.26 1 306 85 85 SER CB C 66.871 0.26 1 307 85 85 SER N N 118.504 0.13 1 308 86 86 TYR H H 8.488 0.003 1 309 86 86 TYR CA C 55.865 0.26 1 310 86 86 TYR CB C 44.046 0.26 1 311 86 86 TYR N N 116.996 0.13 1 312 87 87 ILE H H 9.345 0.003 1 313 87 87 ILE CA C 61.213 0.26 1 314 87 87 ILE CB C 39.518 0.26 1 315 87 87 ILE N N 123.023 0.13 1 316 88 88 LEU H H 8.495 0.003 1 317 88 88 LEU CA C 54.404 0.26 1 318 88 88 LEU CB C 44.327 0.26 1 319 88 88 LEU N N 128.885 0.13 1 320 89 89 THR H H 8.339 0.003 1 321 89 89 THR CA C 58.547 0.26 1 322 89 89 THR CB C 72.668 0.26 1 323 89 89 THR N N 115.919 0.13 1 324 90 90 GLN H H 6.351 0.003 1 325 90 90 GLN CA C 53.422 0.26 1 326 90 90 GLN CB C 28.823 0.26 1 327 90 90 GLN N N 116.821 0.13 1 328 91 91 GLY H H 8.754 0.003 1 329 91 91 GLY CA C 45.837 0.26 1 330 91 91 GLY N N 112.789 0.13 1 331 92 92 PRO CA C 64.653 0.26 1 332 92 92 PRO CB C 31.850 0.26 1 333 93 93 LEU H H 7.888 0.003 1 334 93 93 LEU CA C 54.221 0.26 1 335 93 93 LEU CB C 42.622 0.26 1 336 93 93 LEU N N 123.896 0.13 1 337 94 94 PRO CA C 67.179 0.26 1 338 94 94 PRO CB C 31.981 0.26 1 339 95 95 ASN H H 8.503 0.003 1 340 95 95 ASN CA C 54.694 0.26 1 341 95 95 ASN CB C 37.710 0.26 1 342 95 95 ASN N N 107.032 0.13 1 343 96 96 THR H H 8.006 0.003 1 344 96 96 THR CA C 61.532 0.26 1 345 96 96 THR CB C 70.330 0.26 1 346 96 96 THR N N 111.789 0.13 1 347 97 97 CYS H H 7.493 0.003 1 348 97 97 CYS CA C 64.885 0.26 1 349 97 97 CYS CB C 28.881 0.26 1 350 97 97 CYS N N 121.524 0.13 1 351 98 98 GLY H H 8.220 0.003 1 352 98 98 GLY CA C 48.417 0.26 1 353 98 98 GLY N N 108.887 0.13 1 354 99 99 HIS H H 7.361 0.003 1 355 99 99 HIS CA C 57.782 0.26 1 356 99 99 HIS CB C 33.101 0.26 1 357 99 99 HIS N N 123.898 0.13 1 358 100 100 PHE H H 8.121 0.003 1 359 100 100 PHE CA C 62.763 0.26 1 360 100 100 PHE CB C 38.753 0.26 1 361 100 100 PHE N N 119.638 0.13 1 362 101 101 TRP HE1 H 10.889 0.003 1 363 101 101 TRP NE1 N 128.961 0.13 1 364 105 105 TRP HE1 H 10.340 0.003 1 365 105 105 TRP NE1 N 130.311 0.13 1 366 109 109 SER H H 7.416 0.003 1 367 109 109 SER CA C 62.045 0.26 1 368 109 109 SER CB C 63.715 0.26 1 369 109 109 SER N N 118.210 0.13 1 370 110 110 ARG H H 9.132 0.003 1 371 110 110 ARG CA C 55.907 0.26 1 372 110 110 ARG CB C 32.440 0.26 1 373 110 110 ARG N N 123.866 0.13 1 374 111 111 GLY H H 7.182 0.003 1 375 111 111 GLY CA C 44.702 0.26 1 376 111 111 GLY N N 102.327 0.13 1 377 112 112 VAL H H 8.751 0.003 1 378 112 112 VAL CA C 61.939 0.26 1 379 112 112 VAL CB C 36.045 0.26 1 380 112 112 VAL N N 120.831 0.13 1 381 114 114 MET H H 7.528 0.003 1 382 114 114 MET CA C 54.559 0.26 1 383 114 114 MET CB C 34.903 0.26 1 384 114 114 MET N N 116.521 0.13 1 385 115 115 LEU H H 7.739 0.003 1 386 115 115 LEU CA C 54.953 0.26 1 387 115 115 LEU CB C 43.492 0.26 1 388 115 115 LEU N N 124.843 0.13 1 389 116 116 ASN H H 7.332 0.003 1 390 116 116 ASN CA C 52.496 0.26 1 391 116 116 ASN CB C 42.356 0.26 1 392 116 116 ASN N N 114.865 0.13 1 393 117 117 ARG H H 9.230 0.003 1 394 117 117 ARG CA C 56.660 0.26 1 395 117 117 ARG CB C 32.207 0.26 1 396 117 117 ARG N N 120.132 0.13 1 397 118 118 VAL H H 8.838 0.003 1 398 118 118 VAL CA C 67.592 0.26 1 399 118 118 VAL CB C 32.225 0.26 1 400 118 118 VAL N N 121.595 0.13 1 401 121 121 LYS CA C 57.532 0.26 1 402 122 122 GLY H H 8.479 0.003 1 403 122 122 GLY CA C 46.544 0.26 1 404 122 122 GLY N N 105.875 0.13 1 405 123 123 SER H H 7.817 0.003 1 406 123 123 SER CA C 57.950 0.26 1 407 123 123 SER CB C 65.740 0.26 1 408 123 123 SER N N 116.315 0.13 1 409 124 124 LEU H H 8.458 0.003 1 410 124 124 LEU CA C 56.367 0.26 1 411 124 124 LEU CB C 42.116 0.26 1 412 124 124 LEU N N 126.305 0.13 1 413 126 126 CYS CA C 59.355 0.26 1 414 126 126 CYS CB C 29.879 0.26 1 415 127 127 ALA H H 7.697 0.003 1 416 127 127 ALA CA C 52.379 0.26 1 417 127 127 ALA CB C 19.320 0.26 1 418 127 127 ALA N N 124.505 0.13 1 419 128 128 GLN H H 8.407 0.003 1 420 128 128 GLN CA C 56.433 0.26 1 421 128 128 GLN CB C 26.918 0.26 1 422 128 128 GLN N N 121.067 0.13 1 423 129 129 TYR H H 6.559 0.003 1 424 129 129 TYR CA C 57.408 0.26 1 425 129 129 TYR CB C 38.485 0.26 1 426 129 129 TYR N N 122.981 0.13 1 427 130 130 TRP H H 6.532 0.003 1 428 130 130 TRP HE1 H 9.402 0.003 1 429 130 130 TRP CA C 56.175 0.26 1 430 130 130 TRP CB C 30.932 0.26 1 431 130 130 TRP N N 121.232 0.13 1 432 130 130 TRP NE1 N 129.512 0.13 1 433 137 137 GLU CA C 55.205 0.26 1 434 137 137 GLU CB C 33.613 0.26 1 435 138 138 MET H H 8.790 0.003 1 436 138 138 MET CA C 56.065 0.26 1 437 138 138 MET CB C 38.963 0.26 1 438 138 138 MET N N 121.478 0.13 1 439 139 139 ILE H H 8.080 0.003 1 440 139 139 ILE CA C 60.759 0.26 1 441 139 139 ILE CB C 40.459 0.26 1 442 139 139 ILE N N 122.277 0.13 1 443 140 140 PHE H H 8.834 0.003 1 444 140 140 PHE CA C 57.291 0.26 1 445 140 140 PHE CB C 38.317 0.26 1 446 140 140 PHE N N 128.062 0.13 1 447 141 141 GLU H H 8.899 0.003 1 448 141 141 GLU CA C 59.734 0.26 1 449 141 141 GLU CB C 30.253 0.26 1 450 141 141 GLU N N 124.352 0.13 1 451 142 142 ASP H H 9.008 0.003 1 452 142 142 ASP CA C 56.505 0.26 1 453 142 142 ASP CB C 39.134 0.26 1 454 142 142 ASP N N 116.611 0.13 1 455 143 143 THR H H 7.393 0.003 1 456 143 143 THR CA C 61.189 0.26 1 457 143 143 THR CB C 69.617 0.26 1 458 143 143 THR N N 108.279 0.13 1 459 144 144 ASN H H 7.885 0.003 1 460 144 144 ASN CA C 54.528 0.26 1 461 144 144 ASN CB C 38.463 0.26 1 462 144 144 ASN N N 121.074 0.13 1 463 145 145 LEU H H 7.355 0.003 1 464 145 145 LEU CA C 54.326 0.26 1 465 145 145 LEU CB C 46.811 0.26 1 466 145 145 LEU N N 117.282 0.13 1 467 147 147 LEU H H 9.077 0.003 1 468 147 147 LEU CA C 53.356 0.26 1 469 147 147 LEU CB C 48.652 0.26 1 470 147 147 LEU N N 129.835 0.13 1 471 148 148 THR CA C 62.378 0.26 1 472 148 148 THR CB C 72.191 0.26 1 473 149 149 LEU H H 8.891 0.003 1 474 149 149 LEU CA C 56.108 0.26 1 475 149 149 LEU CB C 43.159 0.26 1 476 149 149 LEU N N 128.198 0.13 1 477 150 150 ILE H H 8.785 0.003 1 478 150 150 ILE CA C 61.610 0.26 1 479 150 150 ILE N N 129.801 0.13 1 480 151 151 SER H H 7.715 0.003 1 481 151 151 SER CA C 58.539 0.26 1 482 151 151 SER CB C 66.100 0.26 1 483 151 151 SER N N 111.179 0.13 1 484 152 152 GLU H H 8.568 0.003 1 485 152 152 GLU CA C 56.654 0.26 1 486 152 152 GLU CB C 34.733 0.26 1 487 152 152 GLU N N 120.044 0.13 1 488 153 153 ASP H H 8.754 0.003 1 489 153 153 ASP CA C 53.977 0.26 1 490 153 153 ASP CB C 42.997 0.26 1 491 153 153 ASP N N 126.493 0.13 1 492 154 154 ILE H H 8.624 0.003 1 493 154 154 ILE CA C 62.953 0.26 1 494 154 154 ILE CB C 39.193 0.26 1 495 154 154 ILE N N 127.700 0.13 1 496 155 155 LYS H H 7.976 0.003 1 497 155 155 LYS CA C 54.583 0.26 1 498 155 155 LYS CB C 34.985 0.26 1 499 155 155 LYS N N 128.645 0.13 1 500 156 156 SER H H 8.357 0.003 1 501 156 156 SER CA C 62.601 0.26 1 502 156 156 SER N N 116.403 0.13 1 503 157 157 ALA H H 8.119 0.003 1 504 157 157 ALA CA C 53.009 0.26 1 505 157 157 ALA CB C 21.080 0.26 1 506 157 157 ALA N N 119.915 0.13 1 507 158 158 ALA H H 6.839 0.003 1 508 158 158 ALA CA C 51.575 0.26 1 509 158 158 ALA CB C 23.140 0.26 1 510 158 158 ALA N N 115.555 0.13 1 511 159 159 THR H H 9.295 0.003 1 512 159 159 THR CA C 62.475 0.26 1 513 159 159 THR CB C 73.193 0.26 1 514 159 159 THR N N 119.796 0.13 1 515 160 160 VAL H H 8.544 0.003 1 516 160 160 VAL CA C 61.861 0.26 1 517 160 160 VAL CB C 34.556 0.26 1 518 160 160 VAL N N 127.186 0.13 1 519 163 163 LEU CA C 57.811 0.26 1 520 163 163 LEU CB C 41.230 0.26 1 521 164 164 GLU H H 9.256 0.003 1 522 164 164 GLU CA C 53.163 0.26 1 523 164 164 GLU CB C 34.852 0.26 1 524 164 164 GLU N N 126.289 0.13 1 525 167 167 ASN H H 8.137 0.003 1 526 167 167 ASN CA C 52.557 0.26 1 527 167 167 ASN CB C 38.605 0.26 1 528 167 167 ASN N N 124.519 0.13 1 529 168 168 LEU H H 8.204 0.003 1 530 168 168 LEU CA C 57.614 0.26 1 531 168 168 LEU CB C 41.277 0.26 1 532 168 168 LEU N N 126.064 0.13 1 533 169 169 THR H H 8.158 0.003 1 534 169 169 THR CA C 65.988 0.26 1 535 169 169 THR CB C 69.338 0.26 1 536 169 169 THR N N 115.159 0.13 1 537 170 170 THR H H 6.967 0.003 1 538 170 170 THR CA C 62.474 0.26 1 539 170 170 THR CB C 70.880 0.26 1 540 170 170 THR N N 109.474 0.13 1 541 171 171 GLN H H 8.301 0.003 1 542 171 171 GLN CA C 58.727 0.26 1 543 171 171 GLN CB C 26.564 0.26 1 544 171 171 GLN N N 116.769 0.13 1 545 172 172 GLU H H 7.376 0.003 1 546 172 172 GLU CA C 56.940 0.26 1 547 172 172 GLU CB C 33.794 0.26 1 548 172 172 GLU N N 119.711 0.13 1 549 173 173 THR H H 8.381 0.003 1 550 173 173 THR CA C 60.984 0.26 1 551 173 173 THR CB C 72.804 0.26 1 552 173 173 THR N N 113.779 0.13 1 553 176 176 ILE H H 8.496 0.003 1 554 176 176 ILE CA C 62.270 0.26 1 555 176 176 ILE CB C 40.236 0.26 1 556 176 176 ILE N N 128.156 0.13 1 557 177 177 LEU H H 8.634 0.003 1 558 177 177 LEU CA C 57.839 0.26 1 559 177 177 LEU CB C 41.859 0.26 1 560 177 177 LEU N N 120.001 0.13 1 561 178 178 HIS H H 8.048 0.003 1 562 178 178 HIS CA C 58.398 0.26 1 563 178 178 HIS CB C 39.350 0.26 1 564 178 178 HIS N N 117.749 0.13 1 565 179 179 PHE H H 8.665 0.003 1 566 179 179 PHE CA C 61.528 0.26 1 567 179 179 PHE CB C 37.066 0.26 1 568 179 179 PHE N N 117.751 0.13 1 569 181 181 TYR H H 8.766 0.003 1 570 181 181 TYR CA C 58.987 0.26 1 571 181 181 TYR CB C 38.924 0.26 1 572 181 181 TYR N N 130.850 0.13 1 573 182 182 THR H H 7.655 0.003 1 574 182 182 THR CA C 63.578 0.26 1 575 182 182 THR CB C 69.641 0.26 1 576 182 182 THR N N 115.868 0.13 1 577 183 183 THR H H 5.879 0.003 1 578 183 183 THR CA C 61.133 0.26 1 579 183 183 THR CB C 69.767 0.26 1 580 183 183 THR N N 107.329 0.13 1 581 184 184 TRP H H 8.542 0.003 1 582 184 184 TRP HE1 H 9.675 0.003 1 583 184 184 TRP CA C 57.911 0.26 1 584 184 184 TRP CB C 28.335 0.26 1 585 184 184 TRP N N 129.084 0.13 1 586 184 184 TRP NE1 N 131.307 0.13 1 587 187 187 PHE H H 7.516 0.003 1 588 187 187 PHE CA C 57.339 0.26 1 589 187 187 PHE CB C 41.781 0.26 1 590 187 187 PHE N N 114.837 0.13 1 591 188 188 GLY H H 8.304 0.003 1 592 188 188 GLY CA C 45.845 0.26 1 593 188 188 GLY N N 110.392 0.13 1 594 189 189 VAL H H 7.919 0.003 1 595 189 189 VAL CA C 58.248 0.26 1 596 189 189 VAL CB C 31.363 0.26 1 597 189 189 VAL N N 114.049 0.13 1 598 190 190 PRO CA C 63.197 0.26 1 599 191 191 GLU H H 8.284 0.003 1 600 191 191 GLU CA C 59.426 0.26 1 601 191 191 GLU CB C 30.624 0.26 1 602 191 191 GLU N N 121.885 0.13 1 603 192 192 SER H H 7.687 0.003 1 604 192 192 SER CA C 54.033 0.26 1 605 192 192 SER CB C 65.317 0.26 1 606 192 192 SER N N 111.095 0.13 1 607 193 193 PRO CA C 56.693 0.26 1 608 193 193 PRO CB C 33.238 0.26 1 609 194 194 ALA H H 8.451 0.003 1 610 194 194 ALA CA C 53.931 0.26 1 611 194 194 ALA CB C 19.679 0.26 1 612 194 194 ALA N N 125.530 0.13 1 613 195 195 SER H H 8.094 0.003 1 614 195 195 SER CA C 59.455 0.26 1 615 195 195 SER CB C 64.464 0.26 1 616 195 195 SER N N 114.096 0.13 1 617 201 201 PHE CA C 55.105 0.26 1 618 202 202 LYS H H 7.393 0.003 1 619 202 202 LYS CA C 58.264 0.26 1 620 202 202 LYS CB C 28.744 0.26 1 621 202 202 LYS N N 113.051 0.13 1 622 203 203 VAL H H 7.743 0.003 1 623 203 203 VAL CA C 66.933 0.26 1 624 203 203 VAL CB C 30.385 0.26 1 625 203 203 VAL N N 121.407 0.13 1 626 204 204 ARG H H 8.312 0.003 1 627 204 204 ARG CA C 60.737 0.26 1 628 204 204 ARG CB C 31.207 0.26 1 629 204 204 ARG N N 120.611 0.13 1 630 205 205 GLU H H 8.431 0.003 1 631 205 205 GLU CA C 59.181 0.26 1 632 205 205 GLU CB C 30.237 0.26 1 633 205 205 GLU N N 120.873 0.13 1 634 206 206 SER H H 7.340 0.003 1 635 206 206 SER CA C 61.032 0.26 1 636 206 206 SER CB C 66.751 0.26 1 637 206 206 SER N N 112.269 0.13 1 638 207 207 GLY H H 7.594 0.003 1 639 207 207 GLY CA C 46.807 0.26 1 640 207 207 GLY N N 110.349 0.13 1 641 208 208 SER H H 7.807 0.003 1 642 208 208 SER CA C 63.742 0.26 1 643 208 208 SER CB C 64.824 0.26 1 644 208 208 SER N N 114.176 0.13 1 645 209 209 LEU H H 8.186 0.003 1 646 209 209 LEU CA C 54.904 0.26 1 647 209 209 LEU CB C 40.977 0.26 1 648 209 209 LEU N N 116.417 0.13 1 649 210 210 SER H H 7.312 0.003 1 650 210 210 SER CA C 57.648 0.26 1 651 210 210 SER N N 116.426 0.13 1 652 211 211 PRO CA C 65.357 0.26 1 653 212 212 GLU H H 8.057 0.003 1 654 212 212 GLU CA C 58.138 0.26 1 655 212 212 GLU CB C 29.293 0.26 1 656 212 212 GLU N N 117.838 0.13 1 657 213 213 HIS H H 7.398 0.003 1 658 213 213 HIS CA C 54.907 0.26 1 659 213 213 HIS CB C 34.303 0.26 1 660 213 213 HIS N N 119.018 0.13 1 661 214 214 GLY H H 7.203 0.003 1 662 214 214 GLY CA C 45.112 0.26 1 663 214 214 GLY N N 104.726 0.13 1 664 216 216 VAL H H 8.923 0.003 1 665 216 216 VAL CA C 62.261 0.26 1 666 216 216 VAL CB C 32.186 0.26 1 667 216 216 VAL N N 125.834 0.13 1 668 217 217 VAL H H 7.621 0.003 1 669 217 217 VAL CA C 62.234 0.26 1 670 217 217 VAL CB C 33.106 0.26 1 671 217 217 VAL N N 126.617 0.13 1 672 218 218 VAL H H 9.543 0.003 1 673 218 218 VAL CA C 60.815 0.26 1 674 218 218 VAL CB C 34.290 0.26 1 675 218 218 VAL N N 129.233 0.13 1 676 219 219 HIS H H 9.124 0.003 1 677 219 219 HIS CA C 56.111 0.26 1 678 219 219 HIS CB C 35.450 0.26 1 679 219 219 HIS N N 122.055 0.13 1 680 220 220 CYS H H 5.964 0.003 1 681 220 220 CYS CA C 57.487 0.26 1 682 220 220 CYS CB C 29.398 0.26 1 683 220 220 CYS N N 120.470 0.13 1 684 222 222 ALA CA C 52.525 0.26 1 685 223 223 GLY H H 8.715 0.003 1 686 223 223 GLY CA C 48.463 0.26 1 687 223 223 GLY N N 112.114 0.13 1 688 224 224 ILE H H 7.196 0.003 1 689 224 224 ILE CA C 62.326 0.26 1 690 224 224 ILE CB C 41.377 0.26 1 691 224 224 ILE N N 107.946 0.13 1 692 225 225 GLY CA C 48.616 0.26 1 693 226 226 ARG H H 8.477 0.003 1 694 226 226 ARG CA C 60.838 0.26 1 695 226 226 ARG CB C 30.407 0.26 1 696 226 226 ARG N N 130.597 0.13 1 697 227 227 SER CA C 63.931 0.26 1 698 228 228 GLY H H 6.327 0.003 1 699 228 228 GLY CA C 47.998 0.26 1 700 228 228 GLY N N 106.534 0.13 1 701 229 229 THR H H 7.662 0.003 1 702 229 229 THR CA C 67.526 0.26 1 703 229 229 THR CB C 69.435 0.26 1 704 229 229 THR N N 117.321 0.13 1 705 230 230 PHE H H 7.454 0.003 1 706 230 230 PHE CA C 63.292 0.26 1 707 230 230 PHE CB C 40.717 0.26 1 708 230 230 PHE N N 120.489 0.13 1 709 231 231 CYS H H 7.331 0.003 1 710 231 231 CYS CA C 63.103 0.26 1 711 231 231 CYS CB C 27.345 0.26 1 712 231 231 CYS N N 115.584 0.13 1 713 232 232 LEU H H 8.455 0.003 1 714 232 232 LEU CA C 59.069 0.26 1 715 232 232 LEU CB C 43.391 0.26 1 716 232 232 LEU N N 121.771 0.13 1 717 233 233 ALA H H 8.060 0.003 1 718 233 233 ALA CA C 55.910 0.26 1 719 233 233 ALA CB C 17.132 0.26 1 720 233 233 ALA N N 119.902 0.13 1 721 234 234 ASP H H 7.482 0.003 1 722 234 234 ASP CA C 59.246 0.26 1 723 234 234 ASP CB C 42.175 0.26 1 724 234 234 ASP N N 114.203 0.13 1 725 235 235 THR H H 8.452 0.003 1 726 235 235 THR CA C 69.778 0.26 1 727 235 235 THR CB C 68.644 0.26 1 728 235 235 THR N N 114.682 0.13 1 729 236 236 CYS H H 8.287 0.003 1 730 236 236 CYS CA C 66.713 0.26 1 731 236 236 CYS CB C 28.458 0.26 1 732 236 236 CYS N N 117.808 0.13 1 733 237 237 LEU H H 7.8280 0.003 1 734 237 237 LEU CA C 58.790 0.26 1 735 237 237 LEU CB C 41.710 0.26 1 736 237 237 LEU N N 117.691 0.13 1 737 238 238 LEU H H 7.834 0.003 1 738 238 238 LEU CA C 58.694 0.26 1 739 238 238 LEU CB C 41.658 0.26 1 740 238 238 LEU N N 118.271 0.13 1 741 239 239 LEU H H 7.773 0.003 1 742 239 239 LEU CA C 58.648 0.26 1 743 239 239 LEU CB C 42.569 0.26 1 744 239 239 LEU N N 122.158 0.13 1 745 240 240 MET H H 7.825 0.003 1 746 240 240 MET CA C 60.319 0.26 1 747 240 240 MET CB C 33.432 0.26 1 748 240 240 MET N N 117.424 0.13 1 749 241 241 ASP H H 7.088 0.003 1 750 241 241 ASP CA C 56.797 0.26 1 751 241 241 ASP CB C 43.264 0.26 1 752 241 241 ASP N N 116.935 0.13 1 753 242 242 LYS H H 7.928 0.003 1 754 242 242 LYS CA C 59.028 0.26 1 755 242 242 LYS CB C 33.846 0.26 1 756 242 242 LYS N N 117.885 0.13 1 757 243 243 ARG H H 7.912 0.003 1 758 243 243 ARG CA C 57.276 0.26 1 759 243 243 ARG CB C 31.478 0.26 1 760 243 243 ARG N N 117.292 0.13 1 761 244 244 LYS H H 7.929 0.003 1 762 244 244 LYS CB C 31.285 0.26 1 763 244 244 LYS N N 118.734 0.13 1 764 246 246 PRO CA C 65.612 0.26 1 765 246 246 PRO CB C 33.101 0.26 1 766 247 247 SER H H 8.029 0.003 1 767 247 247 SER CA C 61.053 0.26 1 768 247 247 SER CB C 64.073 0.26 1 769 247 247 SER N N 113.115 0.13 1 770 248 248 SER H H 7.594 0.003 1 771 248 248 SER CA C 59.824 0.26 1 772 248 248 SER CB C 65.195 0.26 1 773 248 248 SER N N 115.380 0.13 1 774 249 249 VAL H H 7.135 0.003 1 775 249 249 VAL CA C 64.130 0.26 1 776 249 249 VAL CB C 32.285 0.26 1 777 249 249 VAL N N 123.751 0.13 1 778 250 250 ASP H H 8.350 0.003 1 779 250 250 ASP CA C 52.517 0.26 1 780 250 250 ASP CB C 42.583 0.26 1 781 250 250 ASP N N 129.554 0.13 1 782 251 251 ILE H H 8.367 0.003 1 783 251 251 ILE CA C 66.193 0.26 1 784 251 251 ILE CB C 38.560 0.26 1 785 251 251 ILE N N 126.528 0.13 1 786 252 252 LYS H H 7.779 0.003 1 787 252 252 LYS CA C 61.044 0.26 1 788 252 252 LYS CB C 31.305 0.26 1 789 252 252 LYS N N 118.301 0.13 1 790 253 253 LYS H H 7.058 0.003 1 791 253 253 LYS CA C 59.709 0.26 1 792 253 253 LYS CB C 32.941 0.26 1 793 253 253 LYS N N 117.643 0.13 1 794 254 254 VAL H H 7.988 0.003 1 795 254 254 VAL CA C 67.243 0.26 1 796 254 254 VAL CB C 31.918 0.26 1 797 254 254 VAL N N 121.967 0.13 1 798 255 255 LEU H H 8.302 0.003 1 799 255 255 LEU CA C 58.910 0.26 1 800 255 255 LEU N N 121.221 0.13 1 801 256 256 LEU H H 8.104 0.003 1 802 256 256 LEU CA C 59.145 0.26 1 803 256 256 LEU CB C 41.854 0.26 1 804 256 256 LEU N N 119.284 0.13 1 805 258 258 MET CA C 56.332 0.26 1 806 259 259 ARG H H 8.477 0.003 1 807 259 259 ARG CA C 58.833 0.26 1 808 259 259 ARG CB C 31.000 0.26 1 809 259 259 ARG N N 117.941 0.13 1 810 260 260 LYS H H 7.553 0.003 1 811 260 260 LYS CA C 59.550 0.26 1 812 260 260 LYS CB C 32.124 0.26 1 813 260 260 LYS N N 119.220 0.13 1 814 261 261 PHE H H 8.091 0.003 1 815 261 261 PHE CA C 60.202 0.26 1 816 261 261 PHE CB C 41.955 0.26 1 817 261 261 PHE N N 112.973 0.13 1 818 262 262 ARG H H 7.392 0.003 1 819 262 262 ARG CA C 57.334 0.26 1 820 262 262 ARG CB C 32.887 0.26 1 821 262 262 ARG N N 120.799 0.13 1 822 263 263 MET H H 8.304 0.003 1 823 263 263 MET CA C 56.083 0.26 1 824 263 263 MET CB C 32.878 0.26 1 825 263 263 MET N N 122.501 0.13 1 826 264 264 GLY H H 8.723 0.003 1 827 264 264 GLY CA C 47.289 0.26 1 828 264 264 GLY N N 102.006 0.13 1 829 265 265 LEU H H 6.303 0.003 1 830 265 265 LEU CA C 56.593 0.26 1 831 265 265 LEU CB C 42.304 0.26 1 832 265 265 LEU N N 115.251 0.13 1 833 266 266 ILE H H 8.292 0.003 1 834 266 266 ILE CA C 65.179 0.26 1 835 266 266 ILE CB C 42.408 0.26 1 836 266 266 ILE N N 115.799 0.13 1 837 267 267 GLN H H 8.690 0.003 1 838 267 267 GLN CA C 58.249 0.26 1 839 267 267 GLN CB C 33.307 0.26 1 840 267 267 GLN N N 126.342 0.13 1 841 268 268 THR H H 6.587 0.003 1 842 268 268 THR CA C 58.731 0.26 1 843 268 268 THR CB C 74.233 0.26 1 844 268 268 THR N N 105.214 0.13 1 845 269 269 ALA H H 8.535 0.003 1 846 269 269 ALA CA C 55.254 0.26 1 847 269 269 ALA CB C 18.006 0.26 1 848 269 269 ALA N N 123.666 0.13 1 849 270 270 ASP H H 7.768 0.003 1 850 270 270 ASP CA C 57.542 0.26 1 851 270 270 ASP CB C 40.606 0.26 1 852 270 270 ASP N N 116.339 0.13 1 853 271 271 GLN H H 7.727 0.003 1 854 271 271 GLN CA C 59.756 0.26 1 855 271 271 GLN CB C 29.008 0.26 1 856 271 271 GLN N N 120.022 0.13 1 857 272 272 LEU H H 7.493 0.003 1 858 272 272 LEU CA C 59.268 0.26 1 859 272 272 LEU CB C 41.760 0.26 1 860 272 272 LEU N N 124.321 0.13 1 861 273 273 ARG H H 7.815 0.003 1 862 273 273 ARG CA C 60.565 0.26 1 863 273 273 ARG CB C 29.319 0.26 1 864 273 273 ARG N N 121.448 0.13 1 865 274 274 PHE H H 8.134 0.003 1 866 274 274 PHE CA C 62.736 0.26 1 867 274 274 PHE CB C 40.196 0.26 1 868 274 274 PHE N N 117.848 0.13 1 869 275 275 SER H H 7.868 0.003 1 870 275 275 SER CA C 64.335 0.26 1 871 275 275 SER CB C 63.757 0.26 1 872 275 275 SER N N 115.662 0.13 1 873 276 276 TYR H H 7.807 0.003 1 874 276 276 TYR CA C 60.450 0.26 1 875 276 276 TYR CB C 42.149 0.26 1 876 276 276 TYR N N 121.057 0.13 1 877 277 277 LEU H H 8.327 0.003 1 878 277 277 LEU CA C 58.288 0.26 1 879 277 277 LEU CB C 42.744 0.26 1 880 277 277 LEU N N 119.152 0.13 1 881 278 278 ALA H H 8.436 0.003 1 882 278 278 ALA CA C 55.428 0.26 1 883 278 278 ALA CB C 17.169 0.26 1 884 278 278 ALA N N 119.729 0.13 1 885 279 279 VAL H H 7.681 0.003 1 886 279 279 VAL CA C 67.621 0.26 1 887 279 279 VAL CB C 31.595 0.26 1 888 279 279 VAL N N 118.446 0.13 1 889 280 280 ILE H H 8.393 0.003 1 890 280 280 ILE CA C 66.746 0.26 1 891 280 280 ILE CB C 38.838 0.26 1 892 280 280 ILE N N 119.916 0.13 1 893 281 281 GLU CA C 59.595 0.26 1 894 282 282 GLY H H 8.626 0.003 1 895 282 282 GLY CA C 48.617 0.26 1 896 282 282 GLY N N 110.246 0.13 1 897 283 283 ALA H H 8.484 0.003 1 898 283 283 ALA CA C 55.656 0.26 1 899 283 283 ALA CB C 18.971 0.26 1 900 283 283 ALA N N 125.379 0.13 1 901 284 284 LYS H H 7.377 0.003 1 902 284 284 LYS CA C 59.903 0.26 1 903 284 284 LYS CB C 32.543 0.26 1 904 284 284 LYS N N 116.345 0.13 1 905 285 285 PHE H H 7.536 0.003 1 906 285 285 PHE CA C 60.839 0.26 1 907 285 285 PHE CB C 39.757 0.26 1 908 285 285 PHE N N 118.281 0.13 1 909 286 286 ILE H H 7.833 0.003 1 910 286 286 ILE CA C 63.718 0.26 1 911 286 286 ILE CB C 38.786 0.26 1 912 286 286 ILE N N 118.301 0.13 1 913 287 287 MET H H 7.997 0.003 1 914 287 287 MET CA C 56.662 0.26 1 915 287 287 MET CB C 32.850 0.26 1 916 287 287 MET N N 118.938 0.13 1 917 288 288 GLY H H 7.580 0.003 1 918 288 288 GLY CA C 46.233 0.26 1 919 288 288 GLY N N 108.344 0.13 1 920 289 289 ASP H H 8.021 0.003 1 921 289 289 ASP CA C 54.949 0.26 1 922 289 289 ASP CB C 42.096 0.26 1 923 289 289 ASP N N 120.930 0.13 1 924 290 290 SER H H 8.239 0.003 1 925 290 290 SER CA C 60.074 0.26 1 926 290 290 SER CB C 64.210 0.26 1 927 290 290 SER N N 117.948 0.13 1 928 291 291 SER H H 8.312 0.003 1 929 291 291 SER CA C 60.251 0.26 1 930 291 291 SER CB C 64.271 0.26 1 931 291 291 SER N N 118.685 0.13 1 932 292 292 VAL H H 7.739 0.003 1 933 292 292 VAL CA C 63.835 0.26 1 934 292 292 VAL CB C 32.560 0.26 1 935 292 292 VAL N N 121.477 0.13 1 936 293 293 GLN H H 8.314 0.003 1 937 293 293 GLN CA C 56.222 0.26 1 938 293 293 GLN CB C 30.285 0.26 1 939 293 293 GLN N N 119.527 0.13 1 940 294 294 ASP H H 8.056 0.003 1 941 294 294 ASP CA C 55.901 0.26 1 942 294 294 ASP CB C 40.882 0.26 1 943 294 294 ASP N N 125.911 0.13 1 944 295 295 GLN H H 7.938 0.003 1 945 295 295 GLN CB C 29.241 0.26 1 946 295 295 GLN N N 120.166 0.13 1 947 296 296 TRP H H 7.927 0.003 1 948 296 296 TRP HE1 H 10.079 0.003 1 949 296 296 TRP CA C 58.608 0.26 1 950 296 296 TRP CB C 29.522 0.26 1 951 296 296 TRP N N 121.196 0.13 1 952 296 296 TRP NE1 N 129.907 0.13 1 953 297 297 LYS H H 7.598 0.003 1 954 297 297 LYS CA C 57.670 0.26 1 955 297 297 LYS CB C 33.365 0.26 1 956 297 297 LYS N N 122.348 0.13 1 957 298 298 GLU H H 8.005 0.003 1 958 298 298 GLU CA C 57.938 0.26 1 959 298 298 GLU CB C 30.372 0.26 1 960 298 298 GLU N N 121.256 0.13 1 961 299 299 LEU H H 7.993 0.003 1 962 299 299 LEU CA C 55.943 0.26 1 963 299 299 LEU CB C 42.615 0.26 1 964 299 299 LEU N N 122.992 0.13 1 965 300 300 SER H H 8.091 0.003 1 966 300 300 SER CA C 59.136 0.26 1 967 300 300 SER CB C 64.551 0.26 1 968 300 300 SER N N 116.333 0.13 1 969 301 301 HIS H H 8.364 0.003 1 970 301 301 HIS CA C 57.630 0.26 1 971 301 301 HIS CB C 34.055 0.26 1 972 301 301 HIS N N 122.947 0.13 1 973 302 302 GLU CA C 57.781 0.26 1 974 302 302 GLU CB C 30.762 0.26 1 975 303 303 ASP H H 8.263 0.003 1 976 303 303 ASP CA C 55.414 0.26 1 977 303 303 ASP CB C 41.792 0.26 1 978 303 303 ASP N N 121.556 0.13 1 979 304 304 LEU H H 7.880 0.003 1 980 304 304 LEU CA C 55.907 0.26 1 981 304 304 LEU CB C 42.782 0.26 1 982 304 304 LEU N N 122.774 0.13 1 983 305 305 GLU H H 8.014 0.003 1 984 305 305 GLU CA C 54.406 0.26 1 985 305 305 GLU CB C 30.158 0.26 1 986 305 305 GLU N N 122.799 0.13 1 stop_ save_