data_26814 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N chemical shift assignments for Protein Tyrosine Phosphatase 1B residues 1-284 ; _BMRB_accession_number 26814 _BMRB_flat_file_name bmr26814.str _Entry_type original _Submission_date 2016-06-13 _Accession_date 2016-06-13 _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" 223 "13C chemical shifts" 443 "15N chemical shifts" 223 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 2016-06-13 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 Xingyu . . 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 residues 1-284' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Protein Tyrosine Phosphatase 1B residues 1-284' $PTP1B_residues_1-284 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_residues_1-284 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PTP1B_residues_1-284 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 289 _Mol_residue_sequence ; GHMASMEMEKEFEQIDKSGS WAAIYQDIRHEASDFPCRVA KLPKNKNRNRYRDVSPFDHS RIKLHQEDNDYINASLIKME EAQRSYILTQGPLPNTCGHF WEMVWEQKSRGVVMLNRVME KGSLKCAQYWPQKEEKEMIF EDTNLKLTLISEDIKSYYTV RQLELENLTTQETREILHFH YTTWPDFGVPESPASFLNFL FKVRESGSLSPEHGPVVVHC SAGIGRSGTFCLADTCLLLM DKRKDPSSVDIKKVLLEMRK FRMGLIQTADQLRFSYLAVI EGAKFIMGD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 HIS 3 3 MET 4 4 ALA 5 5 SER 6 6 MET 7 7 GLU 8 8 MET 9 9 GLU 10 10 LYS 11 11 GLU 12 12 PHE 13 13 GLU 14 14 GLN 15 15 ILE 16 16 ASP 17 17 LYS 18 18 SER 19 19 GLY 20 20 SER 21 21 TRP 22 22 ALA 23 23 ALA 24 24 ILE 25 25 TYR 26 26 GLN 27 27 ASP 28 28 ILE 29 29 ARG 30 30 HIS 31 31 GLU 32 32 ALA 33 33 SER 34 34 ASP 35 35 PHE 36 36 PRO 37 37 CYS 38 38 ARG 39 39 VAL 40 40 ALA 41 41 LYS 42 42 LEU 43 43 PRO 44 44 LYS 45 45 ASN 46 46 LYS 47 47 ASN 48 48 ARG 49 49 ASN 50 50 ARG 51 51 TYR 52 52 ARG 53 53 ASP 54 54 VAL 55 55 SER 56 56 PRO 57 57 PHE 58 58 ASP 59 59 HIS 60 60 SER 61 61 ARG 62 62 ILE 63 63 LYS 64 64 LEU 65 65 HIS 66 66 GLN 67 67 GLU 68 68 ASP 69 69 ASN 70 70 ASP 71 71 TYR 72 72 ILE 73 73 ASN 74 74 ALA 75 75 SER 76 76 LEU 77 77 ILE 78 78 LYS 79 79 MET 80 80 GLU 81 81 GLU 82 82 ALA 83 83 GLN 84 84 ARG 85 85 SER 86 86 TYR 87 87 ILE 88 88 LEU 89 89 THR 90 90 GLN 91 91 GLY 92 92 PRO 93 93 LEU 94 94 PRO 95 95 ASN 96 96 THR 97 97 CYS 98 98 GLY 99 99 HIS 100 100 PHE 101 101 TRP 102 102 GLU 103 103 MET 104 104 VAL 105 105 TRP 106 106 GLU 107 107 GLN 108 108 LYS 109 109 SER 110 110 ARG 111 111 GLY 112 112 VAL 113 113 VAL 114 114 MET 115 115 LEU 116 116 ASN 117 117 ARG 118 118 VAL 119 119 MET 120 120 GLU 121 121 LYS 122 122 GLY 123 123 SER 124 124 LEU 125 125 LYS 126 126 CYS 127 127 ALA 128 128 GLN 129 129 TYR 130 130 TRP 131 131 PRO 132 132 GLN 133 133 LYS 134 134 GLU 135 135 GLU 136 136 LYS 137 137 GLU 138 138 MET 139 139 ILE 140 140 PHE 141 141 GLU 142 142 ASP 143 143 THR 144 144 ASN 145 145 LEU 146 146 LYS 147 147 LEU 148 148 THR 149 149 LEU 150 150 ILE 151 151 SER 152 152 GLU 153 153 ASP 154 154 ILE 155 155 LYS 156 156 SER 157 157 TYR 158 158 TYR 159 159 THR 160 160 VAL 161 161 ARG 162 162 GLN 163 163 LEU 164 164 GLU 165 165 LEU 166 166 GLU 167 167 ASN 168 168 LEU 169 169 THR 170 170 THR 171 171 GLN 172 172 GLU 173 173 THR 174 174 ARG 175 175 GLU 176 176 ILE 177 177 LEU 178 178 HIS 179 179 PHE 180 180 HIS 181 181 TYR 182 182 THR 183 183 THR 184 184 TRP 185 185 PRO 186 186 ASP 187 187 PHE 188 188 GLY 189 189 VAL 190 190 PRO 191 191 GLU 192 192 SER 193 193 PRO 194 194 ALA 195 195 SER 196 196 PHE 197 197 LEU 198 198 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 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_residues_1-284 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_residues_1-284 '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_residues_1-284 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_residues_1-284 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_CcpNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 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_ ######################### # 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 residues 1-284' _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 6 6 MET H H 8.494 0.003 1 2 6 6 MET CA C 59.816 0.26 1 3 6 6 MET CB C 33.606 0.26 1 4 6 6 MET N N 119.115 0.13 1 5 8 8 MET H H 7.671 0.003 1 6 8 8 MET CA C 59.758 0.26 1 7 8 8 MET CB C 32.009 0.26 1 8 8 8 MET N N 120.620 0.13 1 9 10 10 LYS H H 8.292 0.003 1 10 10 10 LYS CA C 59.827 0.26 1 11 10 10 LYS CB C 29.469 0.26 1 12 10 10 LYS N N 119.911 0.13 1 13 11 11 GLU H H 8.073 0.003 1 14 11 11 GLU CA C 60.039 0.26 1 15 11 11 GLU CB C 29.847 0.26 1 16 11 11 GLU N N 121.651 0.13 1 17 12 12 PHE H H 8.493 0.003 1 18 12 12 PHE CA C 62.806 0.26 1 19 12 12 PHE CB C 40.403 0.26 1 20 12 12 PHE N N 119.808 0.13 1 21 13 13 GLU H H 8.188 0.003 1 22 13 13 GLU CA C 59.922 0.26 1 23 13 13 GLU CB C 29.835 0.26 1 24 13 13 GLU N N 117.822 0.13 1 25 14 14 GLN H H 7.684 0.003 1 26 14 14 GLN CA C 59.338 0.26 1 27 14 14 GLN CB C 28.241 0.26 1 28 14 14 GLN N N 118.964 0.13 1 29 15 15 ILE H H 8.061 0.003 1 30 15 15 ILE CA C 65.421 0.26 1 31 15 15 ILE CB C 37.973 0.26 1 32 15 15 ILE N N 123.096 0.13 1 33 16 16 ASP H H 8.343 0.003 1 34 16 16 ASP CA C 58.316 0.26 1 35 16 16 ASP CB C 41.721 0.26 1 36 16 16 ASP N N 119.562 0.13 1 37 17 17 LYS H H 8.319 0.003 1 38 17 17 LYS CA C 59.338 0.26 1 39 17 17 LYS CB C 32.193 0.26 1 40 17 17 LYS N N 118.192 0.13 1 41 18 18 SER H H 7.460 0.003 1 42 18 18 SER CA C 59.078 0.26 1 43 18 18 SER CB C 64.700 0.26 1 44 18 18 SER N N 111.451 0.13 1 45 19 19 GLY H H 7.742 0.003 1 46 19 19 GLY CA C 47.453 0.26 1 47 19 19 GLY N N 113.203 0.13 1 48 20 20 SER H H 7.716 0.003 1 49 20 20 SER CA C 59.245 0.26 1 50 20 20 SER CB C 63.776 0.26 1 51 20 20 SER N N 111.558 0.13 1 52 21 21 TRP H H 7.045 0.003 1 53 21 21 TRP HE1 H 10.944 0.003 1 54 21 21 TRP CA C 60.952 0.26 1 55 21 21 TRP CB C 29.213 0.26 1 56 21 21 TRP N N 122.061 0.13 1 57 21 21 TRP NE1 N 130.900 0.13 1 58 22 22 ALA H H 8.594 0.003 1 59 22 22 ALA CA C 56.002 0.26 1 60 22 22 ALA CB C 17.773 0.26 1 61 22 22 ALA N N 119.462 0.13 1 62 23 23 ALA H H 7.569 0.003 1 63 23 23 ALA CA C 55.605 0.26 1 64 23 23 ALA CB C 18.095 0.26 1 65 23 23 ALA N N 122.926 0.13 1 66 24 24 ILE H H 7.838 0.003 1 67 24 24 ILE CA C 63.917 0.26 1 68 24 24 ILE CB C 37.154 0.26 1 69 24 24 ILE N N 119.328 0.13 1 70 25 25 TYR H H 8.453 0.003 1 71 25 25 TYR CA C 62.751 0.26 1 72 25 25 TYR CB C 38.785 0.26 1 73 25 25 TYR N N 120.145 0.13 1 74 26 26 GLN H H 8.047 0.003 1 75 26 26 GLN CA C 59.014 0.26 1 76 26 26 GLN CB C 27.875 0.26 1 77 26 26 GLN N N 118.263 0.13 1 78 27 27 ASP H H 7.686 0.003 1 79 27 27 ASP CA C 58.264 0.26 1 80 27 27 ASP CB C 40.341 0.26 1 81 27 27 ASP N N 120.579 0.13 1 82 28 28 ILE H H 7.539 0.003 1 83 28 28 ILE CA C 65.451 0.26 1 84 28 28 ILE CB C 37.221 0.26 1 85 28 28 ILE N N 120.330 0.13 1 86 29 29 ARG H H 7.570 0.003 1 87 29 29 ARG CA C 60.286 0.26 1 88 29 29 ARG CB C 29.880 0.26 1 89 29 29 ARG N N 117.884 0.13 1 90 30 30 HIS H H 8.032 0.003 1 91 30 30 HIS CA C 58.843 0.26 1 92 30 30 HIS CB C 30.521 0.26 1 93 30 30 HIS N N 117.394 0.13 1 94 31 31 GLU H H 7.684 0.003 1 95 31 31 GLU CA C 56.932 0.26 1 96 31 31 GLU CB C 30.867 0.26 1 97 31 31 GLU N N 117.883 0.13 1 98 32 32 ALA H H 7.326 0.003 1 99 32 32 ALA CA C 53.325 0.26 1 100 32 32 ALA CB C 19.360 0.26 1 101 32 32 ALA N N 123.382 0.13 1 102 33 33 SER H H 7.871 0.003 1 103 33 33 SER CA C 59.747 0.26 1 104 33 33 SER CB C 65.105 0.26 1 105 33 33 SER N N 117.229 0.13 1 106 34 34 ASP H H 7.980 0.003 1 107 34 34 ASP CA C 54.180 0.26 1 108 34 34 ASP CB C 43.705 0.26 1 109 34 34 ASP N N 122.488 0.13 1 110 35 35 PHE H H 6.675 0.003 1 111 35 35 PHE CA C 55.730 0.26 1 112 35 35 PHE CB C 41.027 0.26 1 113 35 35 PHE N N 119.634 0.13 1 114 37 37 CYS H H 9.053 0.003 1 115 37 37 CYS CA C 56.899 0.26 1 116 37 37 CYS CB C 28.696 0.26 1 117 37 37 CYS N N 126.348 0.13 1 118 38 38 ARG H H 9.410 0.003 1 119 38 38 ARG CA C 60.324 0.26 1 120 38 38 ARG CB C 30.678 0.26 1 121 38 38 ARG N N 121.946 0.13 1 122 39 39 VAL H H 9.428 0.003 1 123 39 39 VAL CA C 67.436 0.26 1 124 39 39 VAL CB C 30.934 0.26 1 125 39 39 VAL N N 121.536 0.13 1 126 40 40 ALA H H 8.434 0.003 1 127 40 40 ALA CA C 55.199 0.26 1 128 40 40 ALA CB C 21.128 0.26 1 129 40 40 ALA N N 121.661 0.13 1 130 41 41 LYS H H 6.695 0.003 1 131 41 41 LYS CA C 55.848 0.26 1 132 41 41 LYS CB C 32.836 0.26 1 133 41 41 LYS N N 111.253 0.13 1 134 42 42 LEU H H 7.380 0.003 1 135 42 42 LEU CA C 54.604 0.26 1 136 42 42 LEU CB C 41.084 0.26 1 137 42 42 LEU N N 123.602 0.13 1 138 44 44 LYS H H 8.015 0.003 1 139 44 44 LYS N N 114.329 0.13 1 140 45 45 ASN H H 7.643 0.003 1 141 45 45 ASN CA C 53.480 0.26 1 142 45 45 ASN CB C 39.669 0.26 1 143 45 45 ASN N N 116.995 0.13 1 144 46 46 LYS H H 7.304 0.003 1 145 46 46 LYS CA C 61.268 0.26 1 146 46 46 LYS CB C 32.493 0.26 1 147 46 46 LYS N N 123.537 0.13 1 148 47 47 ASN H H 8.290 0.003 1 149 47 47 ASN N N 113.637 0.13 1 150 48 48 ARG H H 7.786 0.003 1 151 48 48 ARG CA C 56.684 0.26 1 152 48 48 ARG CB C 31.421 0.26 1 153 48 48 ARG N N 115.233 0.13 1 154 49 49 ASN H H 7.385 0.003 1 155 49 49 ASN CA C 53.009 0.26 1 156 49 49 ASN CB C 41.641 0.26 1 157 49 49 ASN N N 119.874 0.13 1 158 50 50 ARG H H 9.098 0.003 1 159 50 50 ARG CA C 59.651 0.26 1 160 50 50 ARG CB C 31.049 0.26 1 161 50 50 ARG N N 126.171 0.13 1 162 51 51 TYR H H 9.339 0.003 1 163 51 51 TYR CA C 56.736 0.26 1 164 51 51 TYR CB C 40.350 0.26 1 165 51 51 TYR N N 117.442 0.13 1 166 53 53 ASP H H 8.479 0.003 1 167 53 53 ASP CA C 53.853 0.26 1 168 53 53 ASP CB C 40.655 0.26 1 169 53 53 ASP N N 113.186 0.13 1 170 54 54 VAL H H 6.909 0.003 1 171 54 54 VAL CA C 63.262 0.26 1 172 54 54 VAL CB C 32.594 0.26 1 173 54 54 VAL N N 119.556 0.13 1 174 55 55 SER H H 7.846 0.003 1 175 55 55 SER CA C 56.214 0.26 1 176 55 55 SER CB C 65.274 0.26 1 177 55 55 SER N N 123.572 0.13 1 178 56 56 PRO CA C 62.526 0.26 1 179 56 56 PRO CB C 32.353 0.26 1 180 57 57 PHE H H 7.141 0.003 1 181 57 57 PHE CA C 56.188 0.26 1 182 57 57 PHE CB C 39.558 0.26 1 183 57 57 PHE N N 124.576 0.13 1 184 58 58 ASP H H 9.187 0.003 1 185 58 58 ASP CA C 59.465 0.26 1 186 58 58 ASP CB C 40.969 0.26 1 187 58 58 ASP N N 124.622 0.13 1 188 59 59 HIS H H 8.923 0.003 1 189 59 59 HIS CA C 59.767 0.26 1 190 59 59 HIS CB C 30.530 0.26 1 191 59 59 HIS N N 115.566 0.13 1 192 60 60 SER H H 6.250 0.003 1 193 60 60 SER CA C 56.162 0.26 1 194 60 60 SER CB C 64.264 0.26 1 195 60 60 SER N N 108.391 0.13 1 196 61 61 ARG H H 7.203 0.003 1 197 61 61 ARG CA C 56.173 0.26 1 198 61 61 ARG CB C 28.689 0.26 1 199 61 61 ARG N N 123.172 0.13 1 200 62 62 ILE H H 7.035 0.003 1 201 62 62 ILE CA C 57.860 0.26 1 202 62 62 ILE CB C 36.127 0.26 1 203 62 62 ILE N N 122.192 0.13 1 204 63 63 LYS H H 8.415 0.003 1 205 63 63 LYS CA C 55.684 0.26 1 206 63 63 LYS CB C 32.931 0.26 1 207 63 63 LYS N N 127.737 0.13 1 208 64 64 LEU H H 9.112 0.003 1 209 64 64 LEU CA C 54.633 0.26 1 210 64 64 LEU CB C 42.292 0.26 1 211 64 64 LEU N N 125.457 0.13 1 212 65 65 HIS H H 9.413 0.003 1 213 65 65 HIS CA C 54.844 0.26 1 214 65 65 HIS CB C 28.114 0.26 1 215 65 65 HIS N N 124.371 0.13 1 216 66 66 GLN H H 7.339 0.003 1 217 66 66 GLN CA C 55.184 0.26 1 218 66 66 GLN CB C 31.566 0.26 1 219 66 66 GLN N N 119.529 0.13 1 220 67 67 GLU H H 8.353 0.003 1 221 67 67 GLU CA C 58.437 0.26 1 222 67 67 GLU CB C 30.157 0.26 1 223 67 67 GLU N N 121.349 0.13 1 224 68 68 ASP H H 8.214 0.003 1 225 68 68 ASP CA C 57.261 0.26 1 226 68 68 ASP CB C 41.498 0.26 1 227 68 68 ASP N N 118.769 0.13 1 228 69 69 ASN H H 7.367 0.003 1 229 69 69 ASN CA C 53.971 0.26 1 230 69 69 ASN CB C 38.264 0.26 1 231 69 69 ASN N N 114.184 0.13 1 232 70 70 ASP H H 8.035 0.003 1 233 70 70 ASP CA C 53.828 0.26 1 234 70 70 ASP CB C 42.065 0.26 1 235 70 70 ASP N N 126.102 0.13 1 236 71 71 TYR H H 7.902 0.003 1 237 71 71 TYR CA C 61.379 0.26 1 238 71 71 TYR CB C 39.258 0.26 1 239 71 71 TYR N N 118.710 0.13 1 240 72 72 ILE H H 7.612 0.003 1 241 72 72 ILE CA C 59.399 0.26 1 242 72 72 ILE CB C 42.161 0.26 1 243 72 72 ILE N N 125.418 0.13 1 244 73 73 ASN H H 8.082 0.003 1 245 73 73 ASN CA C 53.119 0.26 1 246 73 73 ASN CB C 36.211 0.26 1 247 73 73 ASN N N 125.637 0.13 1 248 74 74 ALA H H 7.670 0.003 1 249 74 74 ALA CA C 52.345 0.26 1 250 74 74 ALA CB C 23.224 0.26 1 251 74 74 ALA N N 129.166 0.13 1 252 75 75 SER H H 8.859 0.003 1 253 75 75 SER CA C 58.054 0.26 1 254 75 75 SER CB C 67.536 0.26 1 255 75 75 SER N N 116.791 0.13 1 256 76 76 LEU H H 8.809 0.003 1 257 76 76 LEU CA C 54.776 0.26 1 258 76 76 LEU CB C 42.268 0.26 1 259 76 76 LEU N N 127.081 0.13 1 260 77 77 ILE H H 9.385 0.003 1 261 77 77 ILE CA C 60.916 0.26 1 262 77 77 ILE CB C 37.900 0.26 1 263 77 77 ILE N N 128.064 0.13 1 264 78 78 LYS CA C 55.513 0.26 1 265 78 78 LYS CB C 33.657 0.26 1 266 79 79 MET H H 8.187 0.003 1 267 79 79 MET CA C 52.571 0.26 1 268 79 79 MET CB C 29.985 0.26 1 269 79 79 MET N N 124.051 0.13 1 270 80 80 GLU H H 8.343 0.003 1 271 80 80 GLU CA C 60.767 0.26 1 272 80 80 GLU CB C 29.847 0.26 1 273 80 80 GLU N N 126.189 0.13 1 274 81 81 GLU CA C 59.724 0.26 1 275 81 81 GLU CB C 28.978 0.26 1 276 82 82 ALA H H 7.296 0.003 1 277 82 82 ALA CA C 52.895 0.26 1 278 82 82 ALA CB C 19.189 0.26 1 279 82 82 ALA N N 117.376 0.13 1 280 83 83 GLN H H 7.615 0.003 1 281 83 83 GLN CA C 56.731 0.26 1 282 83 83 GLN CB C 26.416 0.26 1 283 83 83 GLN N N 112.486 0.13 1 284 84 84 ARG H H 7.118 0.003 1 285 84 84 ARG CA C 54.508 0.26 1 286 84 84 ARG CB C 36.012 0.26 1 287 84 84 ARG N N 117.807 0.13 1 288 85 85 SER H H 7.649 0.003 1 289 85 85 SER CA C 57.226 0.26 1 290 85 85 SER CB C 66.526 0.26 1 291 85 85 SER N N 118.488 0.13 1 292 86 86 TYR H H 8.494 0.003 1 293 86 86 TYR CA C 55.624 0.26 1 294 86 86 TYR CB C 43.671 0.26 1 295 86 86 TYR N N 116.933 0.13 1 296 87 87 ILE H H 9.362 0.003 1 297 87 87 ILE CA C 60.995 0.26 1 298 87 87 ILE CB C 39.130 0.26 1 299 87 87 ILE N N 122.960 0.13 1 300 88 88 LEU H H 8.490 0.003 1 301 88 88 LEU CA C 54.219 0.26 1 302 88 88 LEU CB C 44.009 0.26 1 303 88 88 LEU N N 128.754 0.13 1 304 89 89 THR H H 8.339 0.003 1 305 89 89 THR CA C 58.340 0.26 1 306 89 89 THR CB C 72.264 0.26 1 307 89 89 THR N N 115.841 0.13 1 308 90 90 GLN H H 6.365 0.003 1 309 90 90 GLN CA C 53.194 0.26 1 310 90 90 GLN CB C 28.489 0.26 1 311 90 90 GLN N N 116.811 0.13 1 312 91 91 GLY H H 8.744 0.003 1 313 91 91 GLY CA C 45.605 0.26 1 314 91 91 GLY N N 112.673 0.13 1 315 92 92 PRO CA C 64.444 0.26 1 316 92 92 PRO CB C 32.399 0.26 1 317 93 93 LEU H H 7.901 0.003 1 318 93 93 LEU CA C 53.934 0.26 1 319 93 93 LEU CB C 42.233 0.26 1 320 93 93 LEU N N 124.029 0.13 1 321 94 94 PRO CA C 66.703 0.26 1 322 94 94 PRO CB C 31.609 0.26 1 323 95 95 ASN H H 8.511 0.003 1 324 95 95 ASN CA C 54.427 0.26 1 325 95 95 ASN CB C 37.427 0.26 1 326 95 95 ASN N N 106.948 0.13 1 327 96 96 THR H H 8.010 0.003 1 328 96 96 THR CA C 61.281 0.26 1 329 96 96 THR CB C 69.978 0.26 1 330 96 96 THR N N 111.746 0.13 1 331 97 97 CYS H H 7.497 0.003 1 332 97 97 CYS CA C 64.668 0.26 1 333 97 97 CYS CB C 28.552 0.26 1 334 97 97 CYS N N 121.442 0.13 1 335 98 98 GLY H H 8.215 0.003 1 336 98 98 GLY CA C 48.150 0.26 1 337 98 98 GLY N N 108.801 0.13 1 338 99 99 HIS H H 7.346 0.003 1 339 99 99 HIS CA C 57.528 0.26 1 340 99 99 HIS CB C 32.801 0.26 1 341 99 99 HIS N N 123.795 0.13 1 342 100 100 PHE H H 8.122 0.003 1 343 100 100 PHE CA C 62.501 0.26 1 344 100 100 PHE CB C 38.434 0.26 1 345 100 100 PHE N N 119.510 0.13 1 346 101 101 TRP HE1 H 10.895 0.003 1 347 101 101 TRP NE1 N 128.934 0.13 1 348 105 105 TRP HE1 H 10.337 0.003 1 349 105 105 TRP NE1 N 129.978 0.13 1 350 109 109 SER H H 7.421 0.003 1 351 109 109 SER CA C 61.897 0.26 1 352 109 109 SER CB C 63.205 0.26 1 353 109 109 SER N N 118.199 0.13 1 354 110 110 ARG H H 9.153 0.003 1 355 110 110 ARG CA C 55.610 0.26 1 356 110 110 ARG CB C 32.158 0.26 1 357 110 110 ARG N N 123.918 0.13 1 358 111 111 GLY H H 7.188 0.003 1 359 111 111 GLY CA C 44.403 0.26 1 360 111 111 GLY N N 102.302 0.13 1 361 112 112 VAL H H 8.741 0.003 1 362 112 112 VAL N N 120.881 0.13 1 363 114 114 MET CB C 34.456 0.26 1 364 115 115 LEU H H 7.795 0.003 1 365 115 115 LEU CA C 54.712 0.26 1 366 115 115 LEU CB C 43.182 0.26 1 367 115 115 LEU N N 124.846 0.13 1 368 116 116 ASN H H 7.375 0.003 1 369 116 116 ASN CA C 52.315 0.26 1 370 116 116 ASN CB C 41.954 0.26 1 371 116 116 ASN N N 114.778 0.13 1 372 117 117 ARG H H 9.195 0.003 1 373 117 117 ARG CA C 56.429 0.26 1 374 117 117 ARG CB C 31.921 0.26 1 375 117 117 ARG N N 119.899 0.13 1 376 118 118 VAL H H 8.829 0.003 1 377 118 118 VAL CA C 67.333 0.26 1 378 118 118 VAL CB C 31.913 0.26 1 379 118 118 VAL N N 121.566 0.13 1 380 122 122 GLY H H 8.489 0.003 1 381 122 122 GLY CA C 46.287 0.26 1 382 122 122 GLY N N 105.835 0.13 1 383 123 123 SER H H 7.833 0.003 1 384 123 123 SER CA C 57.846 0.26 1 385 123 123 SER CB C 65.287 0.26 1 386 123 123 SER N N 116.247 0.13 1 387 124 124 LEU H H 8.453 0.003 1 388 124 124 LEU CA C 56.127 0.26 1 389 124 124 LEU CB C 41.643 0.26 1 390 124 124 LEU N N 126.114 0.13 1 391 126 126 CYS CA C 58.883 0.26 1 392 126 126 CYS CB C 29.452 0.26 1 393 127 127 ALA H H 7.699 0.003 1 394 127 127 ALA CA C 52.139 0.26 1 395 127 127 ALA CB C 19.035 0.26 1 396 127 127 ALA N N 124.471 0.13 1 397 128 128 GLN H H 8.410 0.003 1 398 128 128 GLN CA C 56.023 0.26 1 399 128 128 GLN CB C 26.533 0.26 1 400 128 128 GLN N N 121.009 0.13 1 401 129 129 TYR H H 6.550 0.003 1 402 129 129 TYR CA C 56.895 0.26 1 403 129 129 TYR CB C 38.161 0.26 1 404 129 129 TYR N N 122.827 0.13 1 405 130 130 TRP H H 6.529 0.003 1 406 130 130 TRP HE1 H 9.436 0.003 1 407 130 130 TRP CA C 55.965 0.26 1 408 130 130 TRP CB C 30.602 0.26 1 409 130 130 TRP N N 120.992 0.13 1 410 130 130 TRP NE1 N 129.571 0.13 1 411 137 137 GLU CA C 54.575 0.26 1 412 137 137 GLU CB C 33.526 0.26 1 413 138 138 MET H H 8.799 0.003 1 414 138 138 MET CA C 55.718 0.26 1 415 138 138 MET CB C 38.576 0.26 1 416 138 138 MET N N 121.451 0.13 1 417 139 139 ILE H H 8.079 0.003 1 418 139 139 ILE CA C 60.359 0.26 1 419 139 139 ILE CB C 40.032 0.26 1 420 139 139 ILE N N 122.145 0.13 1 421 140 140 PHE H H 8.839 0.003 1 422 140 140 PHE CA C 57.070 0.26 1 423 140 140 PHE CB C 38.031 0.26 1 424 140 140 PHE N N 127.994 0.13 1 425 141 141 GLU H H 8.905 0.003 1 426 141 141 GLU CA C 59.523 0.26 1 427 141 141 GLU CB C 29.919 0.26 1 428 141 141 GLU N N 124.324 0.13 1 429 142 142 ASP H H 9.017 0.003 1 430 142 142 ASP CA C 56.297 0.26 1 431 142 142 ASP CB C 38.794 0.26 1 432 142 142 ASP N N 116.547 0.13 1 433 143 143 THR H H 7.398 0.003 1 434 143 143 THR CA C 60.914 0.26 1 435 143 143 THR CB C 69.277 0.26 1 436 143 143 THR N N 108.274 0.13 1 437 144 144 ASN H H 7.898 0.003 1 438 144 144 ASN CA C 54.300 0.26 1 439 144 144 ASN CB C 38.116 0.26 1 440 144 144 ASN N N 120.964 0.13 1 441 145 145 LEU H H 7.364 0.003 1 442 145 145 LEU CA C 54.083 0.26 1 443 145 145 LEU CB C 46.471 0.26 1 444 145 145 LEU N N 117.224 0.13 1 445 147 147 LEU H H 9.074 0.003 1 446 147 147 LEU CA C 53.300 0.26 1 447 147 147 LEU CB C 48.740 0.26 1 448 147 147 LEU N N 129.759 0.13 1 449 148 148 THR CA C 61.974 0.26 1 450 148 148 THR CB C 71.721 0.26 1 451 149 149 LEU H H 8.899 0.003 1 452 149 149 LEU CA C 55.849 0.26 1 453 149 149 LEU CB C 42.723 0.26 1 454 149 149 LEU N N 128.090 0.13 1 455 150 150 ILE H H 8.800 0.003 1 456 150 150 ILE CA C 61.836 0.26 1 457 150 150 ILE CB C 37.030 0.26 1 458 150 150 ILE N N 129.873 0.13 1 459 151 151 SER H H 7.728 0.003 1 460 151 151 SER CA C 58.312 0.26 1 461 151 151 SER CB C 65.834 0.26 1 462 151 151 SER N N 111.179 0.13 1 463 152 152 GLU H H 8.563 0.003 1 464 152 152 GLU CA C 56.456 0.26 1 465 152 152 GLU CB C 34.420 0.26 1 466 152 152 GLU N N 120.733 0.13 1 467 153 153 ASP H H 8.761 0.003 1 468 153 153 ASP CA C 53.664 0.26 1 469 153 153 ASP CB C 42.238 0.26 1 470 153 153 ASP N N 127.034 0.13 1 471 154 154 ILE H H 8.457 0.003 1 472 154 154 ILE CA C 62.770 0.26 1 473 154 154 ILE CB C 38.559 0.26 1 474 154 154 ILE N N 127.176 0.13 1 475 155 155 LYS H H 8.075 0.003 1 476 155 155 LYS CA C 54.423 0.26 1 477 155 155 LYS CB C 33.172 0.26 1 478 155 155 LYS N N 129.009 0.13 1 479 157 157 TYR H H 7.095 0.003 1 480 157 157 TYR N N 112.852 0.13 1 481 158 158 TYR H H 6.523 0.003 1 482 158 158 TYR CA C 56.497 0.26 1 483 158 158 TYR CB C 41.165 0.26 1 484 158 158 TYR N N 113.585 0.13 1 485 159 159 THR H H 9.376 0.003 1 486 159 159 THR CA C 61.599 0.26 1 487 159 159 THR CB C 73.880 0.26 1 488 159 159 THR N N 117.702 0.13 1 489 160 160 VAL H H 8.642 0.003 1 490 160 160 VAL CA C 60.428 0.26 1 491 160 160 VAL CB C 34.400 0.26 1 492 160 160 VAL N N 126.294 0.13 1 493 166 166 GLU CA C 54.125 0.26 1 494 166 166 GLU CB C 33.521 0.26 1 495 167 167 ASN H H 8.144 0.003 1 496 167 167 ASN CA C 52.427 0.26 1 497 167 167 ASN CB C 38.220 0.26 1 498 167 167 ASN N N 124.439 0.13 1 499 168 168 LEU H H 8.203 0.003 1 500 168 168 LEU CA C 57.365 0.26 1 501 168 168 LEU CB C 40.947 0.26 1 502 168 168 LEU N N 125.947 0.13 1 503 169 169 THR H H 8.169 0.003 1 504 169 169 THR CA C 65.767 0.26 1 505 169 169 THR CB C 69.003 0.26 1 506 169 169 THR N N 115.078 0.13 1 507 170 170 THR H H 6.987 0.003 1 508 170 170 THR CA C 62.285 0.26 1 509 170 170 THR CB C 70.584 0.26 1 510 170 170 THR N N 109.483 0.13 1 511 171 171 GLN H H 8.310 0.003 1 512 171 171 GLN CA C 58.515 0.26 1 513 171 171 GLN CB C 26.285 0.26 1 514 171 171 GLN N N 116.750 0.13 1 515 172 172 GLU H H 7.381 0.003 1 516 172 172 GLU CA C 56.745 0.26 1 517 172 172 GLU CB C 33.654 0.26 1 518 172 172 GLU N N 119.549 0.13 1 519 173 173 THR H H 8.373 0.003 1 520 173 173 THR CA C 60.687 0.26 1 521 173 173 THR CB C 72.507 0.26 1 522 173 173 THR N N 113.443 0.13 1 523 176 176 ILE H H 8.156 0.003 1 524 176 176 ILE CA C 62.056 0.26 1 525 176 176 ILE CB C 40.079 0.26 1 526 176 176 ILE N N 127.182 0.13 1 527 177 177 LEU H H 8.559 0.003 1 528 177 177 LEU CA C 57.440 0.26 1 529 177 177 LEU CB C 41.695 0.26 1 530 177 177 LEU N N 119.403 0.13 1 531 178 178 HIS H H 8.006 0.003 1 532 178 178 HIS CA C 57.469 0.26 1 533 178 178 HIS CB C 38.628 0.26 1 534 178 178 HIS N N 117.718 0.13 1 535 179 179 PHE H H 8.627 0.003 1 536 179 179 PHE CA C 61.354 0.26 1 537 179 179 PHE CB C 36.770 0.26 1 538 179 179 PHE N N 117.858 0.13 1 539 180 180 HIS H H 7.918 0.003 1 540 180 180 HIS CA C 58.381 0.26 1 541 180 180 HIS CB C 30.408 0.26 1 542 180 180 HIS N N 123.282 0.13 1 543 181 181 TYR CA C 59.187 0.26 1 544 181 181 TYR CB C 38.834 0.26 1 545 182 182 THR H H 7.430 0.003 1 546 182 182 THR CA C 63.325 0.26 1 547 182 182 THR CB C 69.217 0.26 1 548 182 182 THR N N 115.728 0.13 1 549 183 183 THR H H 5.972 0.003 1 550 183 183 THR CA C 60.992 0.26 1 551 183 183 THR CB C 69.204 0.26 1 552 183 183 THR N N 107.298 0.13 1 553 184 184 TRP H H 8.856 0.003 1 554 184 184 TRP HE1 H 9.673 0.003 1 555 184 184 TRP CA C 57.540 0.26 1 556 184 184 TRP CB C 28.056 0.26 1 557 184 184 TRP N N 130.438 0.13 1 558 184 184 TRP NE1 N 131.230 0.13 1 559 186 186 ASP CA C 57.424 0.26 1 560 186 186 ASP CB C 41.643 0.26 1 561 187 187 PHE H H 7.529 0.003 1 562 187 187 PHE CA C 57.142 0.26 1 563 187 187 PHE CB C 41.366 0.26 1 564 187 187 PHE N N 114.801 0.13 1 565 188 188 GLY H H 8.314 0.003 1 566 188 188 GLY CA C 45.635 0.26 1 567 188 188 GLY N N 110.406 0.13 1 568 189 189 VAL H H 7.924 0.003 1 569 189 189 VAL CA C 57.995 0.26 1 570 189 189 VAL CB C 31.013 0.26 1 571 189 189 VAL N N 114.048 0.13 1 572 191 191 GLU CA C 58.951 0.26 1 573 191 191 GLU CB C 29.960 0.26 1 574 192 192 SER H H 7.658 0.003 1 575 192 192 SER CA C 53.788 0.26 1 576 192 192 SER CB C 65.085 0.26 1 577 192 192 SER N N 111.077 0.13 1 578 193 193 PRO CA C 56.727 0.26 1 579 193 193 PRO CB C 32.554 0.26 1 580 194 194 ALA H H 8.536 0.003 1 581 194 194 ALA CA C 53.964 0.26 1 582 194 194 ALA CB C 19.342 0.26 1 583 194 194 ALA N N 124.853 0.13 1 584 195 195 SER H H 8.028 0.003 1 585 195 195 SER CA C 60.798 0.26 1 586 195 195 SER CB C 63.882 0.26 1 587 195 195 SER N N 113.298 0.13 1 588 196 196 PHE H H 8.222 0.003 1 589 196 196 PHE CA C 57.926 0.26 1 590 196 196 PHE N N 122.726 0.13 1 591 202 202 LYS H H 7.399 0.003 1 592 202 202 LYS CA C 57.955 0.26 1 593 202 202 LYS CB C 28.422 0.26 1 594 202 202 LYS N N 112.952 0.13 1 595 203 203 VAL H H 7.758 0.003 1 596 203 203 VAL CA C 66.704 0.26 1 597 203 203 VAL CB C 30.336 0.26 1 598 203 203 VAL N N 121.711 0.13 1 599 204 204 ARG H H 8.314 0.003 1 600 204 204 ARG CA C 60.486 0.26 1 601 204 204 ARG CB C 30.985 0.26 1 602 204 204 ARG N N 120.726 0.13 1 603 205 205 GLU H H 8.387 0.003 1 604 205 205 GLU CA C 59.121 0.26 1 605 205 205 GLU CB C 30.017 0.26 1 606 205 205 GLU N N 120.957 0.13 1 607 206 206 SER H H 7.333 0.003 1 608 206 206 SER CA C 60.804 0.26 1 609 206 206 SER CB C 66.462 0.26 1 610 206 206 SER N N 112.266 0.13 1 611 207 207 GLY H H 7.593 0.003 1 612 207 207 GLY CA C 46.611 0.26 1 613 207 207 GLY N N 110.280 0.13 1 614 208 208 SER H H 7.768 0.003 1 615 208 208 SER CA C 63.577 0.26 1 616 208 208 SER CB C 64.421 0.26 1 617 208 208 SER N N 113.994 0.13 1 618 209 209 LEU H H 8.162 0.003 1 619 209 209 LEU CA C 54.652 0.26 1 620 209 209 LEU CB C 40.596 0.26 1 621 209 209 LEU N N 116.346 0.13 1 622 210 210 SER H H 7.310 0.003 1 623 210 210 SER CA C 57.407 0.26 1 624 210 210 SER CB C 64.019 0.26 1 625 210 210 SER N N 116.303 0.13 1 626 211 211 PRO CA C 64.884 0.26 1 627 211 211 PRO CB C 31.841 0.26 1 628 212 212 GLU H H 8.092 0.003 1 629 212 212 GLU CA C 58.059 0.26 1 630 212 212 GLU CB C 29.123 0.26 1 631 212 212 GLU N N 117.900 0.13 1 632 213 213 HIS H H 7.384 0.003 1 633 213 213 HIS CA C 54.788 0.26 1 634 213 213 HIS CB C 34.038 0.26 1 635 213 213 HIS N N 119.228 0.13 1 636 214 214 GLY H H 7.207 0.003 1 637 214 214 GLY CA C 44.944 0.26 1 638 214 214 GLY N N 104.630 0.13 1 639 216 216 VAL H H 8.915 0.003 1 640 216 216 VAL CA C 62.033 0.26 1 641 216 216 VAL CB C 31.770 0.26 1 642 216 216 VAL N N 125.811 0.13 1 643 217 217 VAL H H 7.622 0.003 1 644 217 217 VAL CA C 62.004 0.26 1 645 217 217 VAL N N 126.629 0.13 1 646 218 218 VAL H H 9.532 0.003 1 647 218 218 VAL CA C 60.648 0.26 1 648 218 218 VAL N N 129.406 0.13 1 649 219 219 HIS H H 9.108 0.003 1 650 219 219 HIS CA C 56.002 0.26 1 651 219 219 HIS N N 121.823 0.13 1 652 220 220 CYS H H 5.992 0.003 1 653 220 220 CYS CA C 57.295 0.26 1 654 220 220 CYS CB C 29.047 0.26 1 655 220 220 CYS N N 120.410 0.13 1 656 222 222 ALA CB C 20.366 0.26 1 657 223 223 GLY H H 8.719 0.003 1 658 223 223 GLY CA C 48.166 0.26 1 659 223 223 GLY N N 112.138 0.13 1 660 224 224 ILE H H 7.196 0.003 1 661 224 224 ILE CA C 62.121 0.26 1 662 224 224 ILE CB C 40.712 0.26 1 663 224 224 ILE N N 107.885 0.13 1 664 227 227 SER CA C 63.946 0.26 1 665 227 227 SER CB C 62.822 0.26 1 666 228 228 GLY H H 6.329 0.003 1 667 228 228 GLY CA C 47.763 0.26 1 668 228 228 GLY N N 106.580 0.13 1 669 229 229 THR H H 7.672 0.003 1 670 229 229 THR CA C 67.267 0.26 1 671 229 229 THR CB C 69.061 0.26 1 672 229 229 THR N N 117.693 0.13 1 673 230 230 PHE H H 7.453 0.003 1 674 230 230 PHE CA C 63.112 0.26 1 675 230 230 PHE CB C 40.398 0.26 1 676 230 230 PHE N N 120.420 0.13 1 677 231 231 CYS H H 7.326 0.003 1 678 231 231 CYS CA C 62.870 0.26 1 679 231 231 CYS CB C 26.981 0.26 1 680 231 231 CYS N N 115.485 0.13 1 681 232 232 LEU H H 8.445 0.003 1 682 232 232 LEU CA C 58.842 0.26 1 683 232 232 LEU CB C 42.995 0.26 1 684 232 232 LEU N N 121.581 0.13 1 685 233 233 ALA H H 8.039 0.003 1 686 233 233 ALA CA C 55.560 0.26 1 687 233 233 ALA CB C 16.836 0.26 1 688 233 233 ALA N N 119.866 0.13 1 689 234 234 ASP H H 7.464 0.003 1 690 234 234 ASP CA C 58.882 0.26 1 691 234 234 ASP CB C 41.829 0.26 1 692 234 234 ASP N N 114.061 0.13 1 693 235 235 THR H H 8.436 0.003 1 694 235 235 THR CA C 69.529 0.26 1 695 235 235 THR CB C 68.357 0.26 1 696 235 235 THR N N 114.472 0.13 1 697 236 236 CYS H H 8.281 0.003 1 698 236 236 CYS CA C 66.510 0.26 1 699 236 236 CYS CB C 28.058 0.26 1 700 236 236 CYS N N 117.718 0.13 1 701 237 237 LEU H H 7.832 0.003 1 702 237 237 LEU CA C 58.453 0.26 1 703 237 237 LEU CB C 41.244 0.26 1 704 237 237 LEU N N 117.501 0.13 1 705 239 239 LEU H H 7.755 0.003 1 706 239 239 LEU CA C 58.425 0.26 1 707 239 239 LEU CB C 42.471 0.26 1 708 239 239 LEU N N 121.899 0.13 1 709 240 240 MET H H 7.843 0.003 1 710 240 240 MET CA C 60.113 0.26 1 711 240 240 MET CB C 33.417 0.26 1 712 240 240 MET N N 117.462 0.13 1 713 241 241 ASP H H 7.109 0.003 1 714 241 241 ASP CA C 56.536 0.26 1 715 241 241 ASP CB C 42.815 0.26 1 716 241 241 ASP N N 116.959 0.13 1 717 242 242 LYS H H 7.930 0.003 1 718 242 242 LYS CA C 58.537 0.26 1 719 242 242 LYS CB C 31.295 0.26 1 720 242 242 LYS N N 117.733 0.13 1 721 243 243 ARG H H 7.931 0.003 1 722 243 243 ARG CA C 57.275 0.26 1 723 243 243 ARG CB C 33.534 0.26 1 724 243 243 ARG N N 117.638 0.13 1 725 244 244 LYS H H 7.946 0.003 1 726 244 244 LYS CA C 58.642 0.26 1 727 244 244 LYS CB C 30.934 0.26 1 728 244 244 LYS N N 118.673 0.13 1 729 246 246 PRO CA C 65.362 0.26 1 730 246 246 PRO CB C 32.452 0.26 1 731 247 247 SER H H 8.024 0.003 1 732 247 247 SER CA C 60.746 0.26 1 733 247 247 SER CB C 63.836 0.26 1 734 247 247 SER N N 113.095 0.13 1 735 248 248 SER H H 7.617 0.003 1 736 248 248 SER CA C 59.636 0.26 1 737 248 248 SER CB C 64.882 0.26 1 738 248 248 SER N N 115.361 0.13 1 739 249 249 VAL H H 7.187 0.003 1 740 249 249 VAL CA C 63.928 0.26 1 741 249 249 VAL CB C 31.947 0.26 1 742 249 249 VAL N N 123.769 0.13 1 743 250 250 ASP H H 8.336 0.003 1 744 250 250 ASP CA C 52.292 0.26 1 745 250 250 ASP CB C 42.221 0.26 1 746 250 250 ASP N N 129.508 0.13 1 747 251 251 ILE H H 8.380 0.003 1 748 251 251 ILE CA C 65.984 0.26 1 749 251 251 ILE CB C 38.143 0.26 1 750 251 251 ILE N N 126.521 0.13 1 751 252 252 LYS H H 7.768 0.003 1 752 252 252 LYS CA C 60.886 0.26 1 753 252 252 LYS CB C 31.004 0.26 1 754 252 252 LYS N N 118.255 0.13 1 755 253 253 LYS H H 7.087 0.003 1 756 253 253 LYS CA C 59.903 0.26 1 757 253 253 LYS CB C 32.537 0.26 1 758 253 253 LYS N N 117.587 0.13 1 759 254 254 VAL H H 8.009 0.003 1 760 254 254 VAL CA C 67.034 0.26 1 761 254 254 VAL CB C 31.468 0.26 1 762 254 254 VAL N N 121.760 0.13 1 763 255 255 LEU H H 8.311 0.003 1 764 255 255 LEU CA C 58.720 0.26 1 765 255 255 LEU CB C 40.917 0.26 1 766 255 255 LEU N N 121.020 0.13 1 767 256 256 LEU H H 8.127 0.003 1 768 256 256 LEU CA C 58.923 0.26 1 769 256 256 LEU CB C 41.456 0.26 1 770 256 256 LEU N N 119.171 0.13 1 771 258 258 MET H H 8.509 0.003 1 772 258 258 MET CA C 61.416 0.26 1 773 258 258 MET N N 119.286 0.13 1 774 259 259 ARG H H 8.494 0.003 1 775 259 259 ARG CA C 58.622 0.26 1 776 259 259 ARG CB C 30.598 0.26 1 777 259 259 ARG N N 117.935 0.13 1 778 260 260 LYS H H 7.557 0.003 1 779 260 260 LYS CA C 59.396 0.26 1 780 260 260 LYS CB C 31.831 0.26 1 781 260 260 LYS N N 119.158 0.13 1 782 261 261 PHE H H 8.093 0.003 1 783 261 261 PHE CA C 59.932 0.26 1 784 261 261 PHE CB C 41.624 0.26 1 785 261 261 PHE N N 112.799 0.13 1 786 262 262 ARG H H 7.402 0.003 1 787 262 262 ARG CA C 57.177 0.26 1 788 262 262 ARG CB C 32.569 0.26 1 789 262 262 ARG N N 120.796 0.13 1 790 263 263 MET H H 8.316 0.003 1 791 263 263 MET CA C 55.844 0.26 1 792 263 263 MET CB C 32.536 0.26 1 793 263 263 MET N N 122.616 0.13 1 794 264 264 GLY H H 8.734 0.003 1 795 264 264 GLY CA C 47.150 0.26 1 796 264 264 GLY N N 102.050 0.13 1 797 266 266 ILE H H 8.299 0.003 1 798 266 266 ILE CA C 65.115 0.26 1 799 266 266 ILE CB C 31.893 0.26 1 800 266 266 ILE N N 115.828 0.13 1 801 267 267 GLN H H 8.685 0.003 1 802 267 267 GLN CA C 58.092 0.26 1 803 267 267 GLN CB C 33.091 0.26 1 804 267 267 GLN N N 126.346 0.13 1 805 268 268 THR H H 6.599 0.003 1 806 268 268 THR CA C 58.401 0.26 1 807 268 268 THR CB C 73.818 0.26 1 808 268 268 THR N N 105.168 0.13 1 809 269 269 ALA H H 8.541 0.003 1 810 269 269 ALA CA C 55.068 0.26 1 811 269 269 ALA CB C 17.637 0.26 1 812 269 269 ALA N N 123.560 0.13 1 813 270 270 ASP H H 7.773 0.003 1 814 270 270 ASP CA C 57.295 0.26 1 815 270 270 ASP CB C 40.276 0.26 1 816 270 270 ASP N N 116.299 0.13 1 817 271 271 GLN H H 7.733 0.003 1 818 271 271 GLN CA C 59.489 0.26 1 819 271 271 GLN CB C 28.592 0.26 1 820 271 271 GLN N N 119.939 0.13 1 821 272 272 LEU H H 7.503 0.003 1 822 272 272 LEU CA C 59.032 0.26 1 823 272 272 LEU CB C 41.387 0.26 1 824 272 272 LEU N N 124.332 0.13 1 825 273 273 ARG H H 7.813 0.003 1 826 273 273 ARG CA C 60.222 0.26 1 827 273 273 ARG CB C 28.972 0.26 1 828 273 273 ARG N N 121.339 0.13 1 829 274 274 PHE H H 8.109 0.003 1 830 274 274 PHE CA C 62.329 0.26 1 831 274 274 PHE CB C 39.810 0.26 1 832 274 274 PHE N N 117.943 0.13 1 833 275 275 SER H H 7.876 0.003 1 834 275 275 SER CA C 64.455 0.26 1 835 275 275 SER CB C 63.444 0.26 1 836 275 275 SER N N 115.562 0.13 1 837 276 276 TYR H H 7.812 0.003 1 838 276 276 TYR CA C 60.145 0.26 1 839 276 276 TYR CB C 41.540 0.26 1 840 276 276 TYR N N 120.935 0.13 1 841 277 277 LEU H H 8.316 0.003 1 842 277 277 LEU CA C 58.308 0.26 1 843 277 277 LEU CB C 42.109 0.26 1 844 277 277 LEU N N 118.934 0.13 1 845 278 278 ALA H H 8.432 0.003 1 846 278 278 ALA CA C 55.253 0.26 1 847 278 278 ALA CB C 16.787 0.26 1 848 278 278 ALA N N 119.755 0.13 1 849 279 279 VAL H H 7.656 0.003 1 850 279 279 VAL CA C 67.432 0.26 1 851 279 279 VAL CB C 31.244 0.26 1 852 279 279 VAL N N 118.513 0.13 1 853 280 280 ILE H H 8.342 0.003 1 854 280 280 ILE CA C 66.649 0.26 1 855 280 280 ILE N N 119.773 0.13 1 856 281 281 GLU H H 8.240 0.003 1 857 281 281 GLU CA C 59.291 0.26 1 858 281 281 GLU CB C 28.861 0.26 1 859 281 281 GLU N N 117.363 0.13 1 860 282 282 GLY H H 8.582 0.003 1 861 282 282 GLY CA C 48.303 0.26 1 862 282 282 GLY N N 110.556 0.13 1 863 283 283 ALA H H 8.280 0.003 1 864 283 283 ALA CA C 55.191 0.26 1 865 283 283 ALA CB C 18.393 0.26 1 866 283 283 ALA N N 124.950 0.13 1 867 284 284 LYS H H 7.245 0.003 1 868 284 284 LYS CA C 58.831 0.26 1 869 284 284 LYS CB C 32.142 0.26 1 870 284 284 LYS N N 115.673 0.13 1 871 285 285 PHE H H 7.495 0.003 1 872 285 285 PHE CA C 59.922 0.26 1 873 285 285 PHE CB C 39.621 0.26 1 874 285 285 PHE N N 118.073 0.13 1 875 286 286 ILE H H 7.554 0.003 1 876 286 286 ILE CA C 62.568 0.26 1 877 286 286 ILE CB C 39.005 0.26 1 878 286 286 ILE N N 118.001 0.13 1 879 287 287 MET H H 8.059 0.003 1 880 287 287 MET CA C 56.332 0.26 1 881 287 287 MET CB C 32.813 0.26 1 882 287 287 MET N N 121.207 0.13 1 883 288 288 GLY H H 7.839 0.003 1 884 288 288 GLY CA C 45.820 0.26 1 885 288 288 GLY N N 109.826 0.13 1 886 289 289 ASP H H 7.820 0.003 1 887 289 289 ASP CA C 56.447 0.26 1 888 289 289 ASP CB C 42.674 0.26 1 889 289 289 ASP N N 126.139 0.13 1 stop_ save_