data_27121 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence Specific Backbone Assignment of the catalytic domain of HePTP (residues 44-339) at pH 7.8 ; _BMRB_accession_number 27121 _BMRB_flat_file_name bmr27121.str _Entry_type original _Submission_date 2017-06-02 _Accession_date 2017-06-02 _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 'de Souza Fraga Machado' 'Luciana Elena' . . 2 Page Rebecca . . 3 Peti Wolfgang . . 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" 404 "15N chemical shifts" 237 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-05-17 update BMRB 'update entry citation' 2017-09-14 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15680 '34kDa catalytic domain of human PTPN7' 27122 'catalytic domain of HePTP (residues 44-339) in presence of vanadate (inhibitor) at pH 7.8' stop_ _Original_release_date 2017-06-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N and 13C sequence specific backbone assignment of the vanadate inhibited hematopoietic tyrosine phosphatase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28856606 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'de Souza Fraga Machado' 'Luciana Elena' . . 2 Page Rebecca . . 3 Peti Wolfgang . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 12 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5 _Page_last 9 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Hematopoietic Protein Tyrosine Phosphatase (PTPN7, HePTP)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PTP domain' $Hematopoietic_Protein_Tyrosine_Phosphatase_(PTPN7_HePTP) 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_Hematopoietic_Protein_Tyrosine_Phosphatase_(PTPN7_HePTP) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Hematopoietic_Protein_Tyrosine_Phosphatase_(PTPN7,_HePTP) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 299 _Mol_residue_sequence ; GHMNTPREVTLHFLRTAGHP LTRWALQRQPPSPKQLEEEF LKIPSNFVSPEDLDIPGHAS KDRYKTILPNPQSRVCLGRA QSQEDGDYINANYIRGYDGK EKVYIATQGPMPNTVSDFWE MVWQEEVSLIVMLTQLREGK EKCVHYWPTEEETYGPFQIR IQDMKECPEYTVRQLTIQYQ EERRSVKHILFSAWPDHQTP ESAGPLLRLVAEVEESPETA AHPGPIVVHCSAGIGRTGCF IATRIGCQQLKARGEVDILG IVCQLRLDRGGMIQTAEQYQ FLHHTLALYAGQLPEEPSP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 41 GLY 2 42 HIS 3 43 MET 4 44 ASN 5 45 THR 6 46 PRO 7 47 ARG 8 48 GLU 9 49 VAL 10 50 THR 11 51 LEU 12 52 HIS 13 53 PHE 14 54 LEU 15 55 ARG 16 56 THR 17 57 ALA 18 58 GLY 19 59 HIS 20 60 PRO 21 61 LEU 22 62 THR 23 63 ARG 24 64 TRP 25 65 ALA 26 66 LEU 27 67 GLN 28 68 ARG 29 69 GLN 30 70 PRO 31 71 PRO 32 72 SER 33 73 PRO 34 74 LYS 35 75 GLN 36 76 LEU 37 77 GLU 38 78 GLU 39 79 GLU 40 80 PHE 41 81 LEU 42 82 LYS 43 83 ILE 44 84 PRO 45 85 SER 46 86 ASN 47 87 PHE 48 88 VAL 49 89 SER 50 90 PRO 51 91 GLU 52 92 ASP 53 93 LEU 54 94 ASP 55 95 ILE 56 96 PRO 57 97 GLY 58 98 HIS 59 99 ALA 60 100 SER 61 101 LYS 62 102 ASP 63 103 ARG 64 104 TYR 65 105 LYS 66 106 THR 67 107 ILE 68 108 LEU 69 109 PRO 70 110 ASN 71 111 PRO 72 112 GLN 73 113 SER 74 114 ARG 75 115 VAL 76 116 CYS 77 117 LEU 78 118 GLY 79 119 ARG 80 120 ALA 81 121 GLN 82 122 SER 83 123 GLN 84 124 GLU 85 125 ASP 86 126 GLY 87 127 ASP 88 128 TYR 89 129 ILE 90 130 ASN 91 131 ALA 92 132 ASN 93 133 TYR 94 134 ILE 95 135 ARG 96 136 GLY 97 137 TYR 98 138 ASP 99 139 GLY 100 140 LYS 101 141 GLU 102 142 LYS 103 143 VAL 104 144 TYR 105 145 ILE 106 146 ALA 107 147 THR 108 148 GLN 109 149 GLY 110 150 PRO 111 151 MET 112 152 PRO 113 153 ASN 114 154 THR 115 155 VAL 116 156 SER 117 157 ASP 118 158 PHE 119 159 TRP 120 160 GLU 121 161 MET 122 162 VAL 123 163 TRP 124 164 GLN 125 165 GLU 126 166 GLU 127 167 VAL 128 168 SER 129 169 LEU 130 170 ILE 131 171 VAL 132 172 MET 133 173 LEU 134 174 THR 135 175 GLN 136 176 LEU 137 177 ARG 138 178 GLU 139 179 GLY 140 180 LYS 141 181 GLU 142 182 LYS 143 183 CYS 144 184 VAL 145 185 HIS 146 186 TYR 147 187 TRP 148 188 PRO 149 189 THR 150 190 GLU 151 191 GLU 152 192 GLU 153 193 THR 154 194 TYR 155 195 GLY 156 196 PRO 157 197 PHE 158 198 GLN 159 199 ILE 160 200 ARG 161 201 ILE 162 202 GLN 163 203 ASP 164 204 MET 165 205 LYS 166 206 GLU 167 207 CYS 168 208 PRO 169 209 GLU 170 210 TYR 171 211 THR 172 212 VAL 173 213 ARG 174 214 GLN 175 215 LEU 176 216 THR 177 217 ILE 178 218 GLN 179 219 TYR 180 220 GLN 181 221 GLU 182 222 GLU 183 223 ARG 184 224 ARG 185 225 SER 186 226 VAL 187 227 LYS 188 228 HIS 189 229 ILE 190 230 LEU 191 231 PHE 192 232 SER 193 233 ALA 194 234 TRP 195 235 PRO 196 236 ASP 197 237 HIS 198 238 GLN 199 239 THR 200 240 PRO 201 241 GLU 202 242 SER 203 243 ALA 204 244 GLY 205 245 PRO 206 246 LEU 207 247 LEU 208 248 ARG 209 249 LEU 210 250 VAL 211 251 ALA 212 252 GLU 213 253 VAL 214 254 GLU 215 255 GLU 216 256 SER 217 257 PRO 218 258 GLU 219 259 THR 220 260 ALA 221 261 ALA 222 262 HIS 223 263 PRO 224 264 GLY 225 265 PRO 226 266 ILE 227 267 VAL 228 268 VAL 229 269 HIS 230 270 CYS 231 271 SER 232 272 ALA 233 273 GLY 234 274 ILE 235 275 GLY 236 276 ARG 237 277 THR 238 278 GLY 239 279 CYS 240 280 PHE 241 281 ILE 242 282 ALA 243 283 THR 244 284 ARG 245 285 ILE 246 286 GLY 247 287 CYS 248 288 GLN 249 289 GLN 250 290 LEU 251 291 LYS 252 292 ALA 253 293 ARG 254 294 GLY 255 295 GLU 256 296 VAL 257 297 ASP 258 298 ILE 259 299 LEU 260 300 GLY 261 301 ILE 262 302 VAL 263 303 CYS 264 304 GLN 265 305 LEU 266 306 ARG 267 307 LEU 268 308 ASP 269 309 ARG 270 310 GLY 271 311 GLY 272 312 MET 273 313 ILE 274 314 GLN 275 315 THR 276 316 ALA 277 317 GLU 278 318 GLN 279 319 TYR 280 320 GLN 281 321 PHE 282 322 LEU 283 323 HIS 284 324 HIS 285 325 THR 286 326 LEU 287 327 ALA 288 328 LEU 289 329 TYR 290 330 ALA 291 331 GLY 292 332 GLN 293 333 LEU 294 334 PRO 295 335 GLU 296 336 GLU 297 337 PRO 298 338 SER 299 339 PRO 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 $Hematopoietic_Protein_Tyrosine_Phosphatase_(PTPN7_HePTP) 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 $Hematopoietic_Protein_Tyrosine_Phosphatase_(PTPN7_HePTP) '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 TRIS 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' $Hematopoietic_Protein_Tyrosine_Phosphatase_(PTPN7_HePTP) . mM . stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . 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 _Field_strength 850 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 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' 0.1 . M pH 7.8 . 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 HNCACB' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'PTP domain' _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 45 5 THR H H 8.028 0.000 . 2 45 5 THR CA C 57.227 0.000 . 3 45 5 THR N N 115.901 0.000 . 4 47 7 ARG H H 8.398 0.000 . 5 47 7 ARG N N 120.792 0.000 . 6 48 8 GLU H H 8.211 0.000 . 7 48 8 GLU CA C 56.056 0.000 . 8 48 8 GLU CB C 25.587 0.000 . 9 48 8 GLU N N 118.220 0.000 . 10 49 9 VAL H H 7.716 0.000 . 11 49 9 VAL CA C 62.796 0.000 . 12 49 9 VAL CB C 28.074 0.000 . 13 49 9 VAL N N 120.880 0.000 . 14 50 10 THR H H 7.805 0.000 . 15 50 10 THR CA C 63.041 0.000 . 16 50 10 THR CB C 65.059 0.000 . 17 50 10 THR N N 117.480 0.000 . 18 51 11 LEU H H 8.059 0.000 . 19 51 11 LEU CA C 54.779 0.000 . 20 51 11 LEU CB C 37.385 0.000 . 21 51 11 LEU N N 120.645 0.000 . 22 52 12 HIS H H 7.924 0.000 . 23 52 12 HIS CA C 57.341 0.000 . 24 52 12 HIS N N 117.949 0.000 . 25 53 13 PHE H H 7.917 0.000 . 26 53 13 PHE CA C 58.723 0.000 . 27 53 13 PHE CB C 35.187 0.000 . 28 53 13 PHE N N 121.087 0.000 . 29 54 14 LEU H H 8.024 0.000 . 30 54 14 LEU CA C 54.377 0.000 . 31 54 14 LEU CB C 37.515 0.000 . 32 54 14 LEU N N 117.178 0.000 . 33 55 15 ARG H H 7.937 0.000 . 34 55 15 ARG CA C 54.970 0.000 . 35 55 15 ARG CB C 27.687 0.000 . 36 55 15 ARG N N 113.641 0.000 . 37 56 16 THR H H 7.132 0.000 . 38 56 16 THR CA C 58.823 0.000 . 39 56 16 THR CB C 68.266 0.000 . 40 56 16 THR N N 106.867 0.000 . 41 57 17 ALA H H 7.848 0.000 . 42 57 17 ALA CA C 49.935 0.000 . 43 57 17 ALA CB C 15.584 0.000 . 44 57 17 ALA N N 127.527 0.000 . 45 58 18 GLY H H 7.703 0.000 . 46 58 18 GLY CA C 43.455 0.000 . 47 58 18 GLY N N 105.591 0.000 . 48 59 19 HIS H H 10.427 0.000 . 49 59 19 HIS CA C 49.497 0.000 . 50 59 19 HIS CB C 26.070 0.000 . 51 59 19 HIS N N 122.057 0.000 . 52 61 21 LEU H H 9.020 0.000 . 53 61 21 LEU CA C 50.090 0.000 . 54 61 21 LEU CB C 40.957 0.000 . 55 61 21 LEU N N 125.576 0.000 . 56 62 22 THR H H 8.053 0.000 . 57 62 22 THR CA C 58.270 0.000 . 58 62 22 THR CB C 68.034 0.000 . 59 62 22 THR N N 112.297 0.000 . 60 63 23 ARG H H 7.834 0.000 . 61 63 23 ARG CA C 56.748 0.000 . 62 63 23 ARG CB C 26.005 0.000 . 63 63 23 ARG N N 118.211 0.000 . 64 64 24 TRP H H 7.866 0.000 . 65 64 24 TRP CA C 57.409 0.000 . 66 64 24 TRP CB C 25.876 0.000 . 67 64 24 TRP N N 117.663 0.000 . 68 65 25 ALA H H 8.007 0.000 . 69 65 25 ALA CA C 52.193 0.000 . 70 65 25 ALA CB C 15.154 0.000 . 71 65 25 ALA N N 123.296 0.000 . 72 66 26 LEU H H 8.070 0.000 . 73 66 26 LEU CA C 54.377 0.000 . 74 66 26 LEU CB C 38.679 0.000 . 75 66 26 LEU N N 115.175 0.000 . 76 67 27 GLN H H 7.251 0.000 . 77 67 27 GLN CA C 54.972 0.000 . 78 67 27 GLN CB C 27.945 0.000 . 79 67 27 GLN N N 111.320 0.000 . 80 68 28 ARG H H 8.100 0.000 . 81 68 28 ARG CA C 52.986 0.000 . 82 68 28 ARG CB C 27.557 0.000 . 83 68 28 ARG N N 115.284 0.000 . 84 69 29 GLN H H 8.308 0.000 . 85 69 29 GLN CA C 50.446 0.000 . 86 69 29 GLN CB C 26.199 0.000 . 87 69 29 GLN N N 119.789 0.000 . 88 72 32 SER H H 8.394 0.000 . 89 72 32 SER CA C 52.963 0.000 . 90 72 32 SER CB C 59.840 0.000 . 91 72 32 SER N N 118.635 0.000 . 92 75 35 GLN H H 7.569 0.000 . 93 75 35 GLN CA C 55.743 0.000 . 94 75 35 GLN N N 119.604 0.000 . 95 76 36 LEU H H 8.221 0.000 . 96 76 36 LEU CA C 54.391 0.000 . 97 76 36 LEU CB C 38.226 0.000 . 98 76 36 LEU N N 119.707 0.000 . 99 77 37 GLU H H 8.192 0.000 . 100 77 37 GLU CA C 57.042 0.000 . 101 77 37 GLU CB C 26.005 0.000 . 102 77 37 GLU N N 121.114 0.000 . 103 78 38 GLU H H 7.777 0.000 . 104 78 38 GLU CA C 56.178 0.000 . 105 78 38 GLU N N 117.406 0.000 . 106 79 39 GLU H H 7.872 0.000 . 107 79 39 GLU CA C 56.524 0.000 . 108 79 39 GLU CB C 28.010 0.000 . 109 79 39 GLU N N 119.599 0.000 . 110 80 40 PHE H H 8.453 0.000 . 111 80 40 PHE CA C 57.683 0.000 . 112 80 40 PHE CB C 35.316 0.000 . 113 80 40 PHE N N 118.725 0.000 . 114 81 41 LEU H H 7.947 0.000 . 115 81 41 LEU CA C 53.328 0.000 . 116 81 41 LEU CB C 37.838 0.000 . 117 81 41 LEU N N 117.532 0.000 . 118 82 42 LYS H H 6.978 0.000 . 119 82 42 LYS CA C 53.291 0.000 . 120 82 42 LYS CB C 29.303 0.000 . 121 82 42 LYS N N 116.938 0.000 . 122 83 43 ILE H H 7.001 0.000 . 123 83 43 ILE CA C 56.654 0.000 . 124 83 43 ILE CB C 34.605 0.000 . 125 83 43 ILE N N 119.962 0.000 . 126 85 45 SER H H 8.505 0.000 . 127 85 45 SER CA C 58.270 0.000 . 128 85 45 SER CB C 28.721 0.000 . 129 85 45 SER N N 119.347 0.000 . 130 86 46 ASN H H 8.485 0.000 . 131 86 46 ASN CA C 50.318 0.000 . 132 86 46 ASN CB C 35.575 0.000 . 133 86 46 ASN N N 117.056 0.000 . 134 87 47 PHE H H 7.521 0.000 . 135 87 47 PHE CA C 54.391 0.000 . 136 87 47 PHE CB C 35.575 0.000 . 137 87 47 PHE N N 114.348 0.000 . 138 88 48 VAL H H 9.080 0.000 . 139 88 48 VAL CA C 57.204 0.000 . 140 88 48 VAL CB C 29.131 0.000 . 141 88 48 VAL N N 122.083 0.000 . 142 89 49 SER H H 8.901 0.000 . 143 89 49 SER CA C 53.077 0.000 . 144 89 49 SER CB C 59.934 0.000 . 145 89 49 SER N N 122.346 0.000 . 146 91 51 GLU H H 8.724 0.000 . 147 91 51 GLU CA C 55.654 0.000 . 148 91 51 GLU CB C 24.777 0.000 . 149 91 51 GLU N N 116.827 0.000 . 150 92 52 ASP H H 7.668 0.000 . 151 92 52 ASP CA C 52.325 0.000 . 152 92 52 ASP CB C 37.256 0.000 . 153 92 52 ASP N N 118.903 0.000 . 154 93 53 LEU H H 7.228 0.000 . 155 93 53 LEU CA C 52.063 0.000 . 156 93 53 LEU CB C 39.131 0.000 . 157 93 53 LEU N N 120.990 0.000 . 158 98 58 HIS H H 8.541 0.000 . 159 98 58 HIS CA C 51.549 0.000 . 160 98 58 HIS N N 114.607 0.000 . 161 99 59 ALA H H 8.238 0.000 . 162 99 59 ALA CA C 51.264 0.000 . 163 99 59 ALA N N 121.241 0.000 . 164 101 61 LYS H H 8.116 0.000 . 165 101 61 LYS CA C 52.645 0.000 . 166 101 61 LYS CB C 28.656 0.000 . 167 101 61 LYS N N 120.519 0.000 . 168 102 62 ASP H H 7.158 0.000 . 169 102 62 ASP CA C 50.741 0.000 . 170 102 62 ASP CB C 39.990 0.000 . 171 102 62 ASP N N 121.678 0.000 . 172 103 63 ARG H H 9.033 0.000 . 173 103 63 ARG CA C 56.201 0.000 . 174 103 63 ARG CB C 27.142 0.000 . 175 103 63 ARG N N 126.519 0.000 . 176 104 64 TYR H H 9.332 0.000 . 177 104 64 TYR CA C 53.328 0.000 . 178 104 64 TYR CB C 35.797 0.000 . 179 104 64 TYR N N 119.212 0.000 . 180 105 65 LYS H H 8.366 0.000 . 181 105 65 LYS CA C 55.197 0.000 . 182 105 65 LYS CB C 28.428 0.000 . 183 105 65 LYS N N 120.654 0.000 . 184 106 66 THR H H 7.355 0.000 . 185 106 66 THR CA C 57.751 0.000 . 186 106 66 THR CB C 65.318 0.000 . 187 106 66 THR N N 102.567 0.000 . 188 107 67 ILE H H 7.214 0.000 . 189 107 67 ILE CA C 58.268 0.000 . 190 107 67 ILE CB C 33.378 0.000 . 191 107 67 ILE N N 126.260 0.000 . 192 108 68 LEU H H 7.737 0.000 . 193 108 68 LEU CA C 48.161 0.000 . 194 108 68 LEU CB C 39.775 0.000 . 195 108 68 LEU N N 125.868 0.000 . 196 110 70 ASN H H 7.953 0.000 . 197 110 70 ASN CA C 49.929 0.000 . 198 110 70 ASN CB C 32.019 0.000 . 199 110 70 ASN N N 121.421 0.000 . 200 112 72 GLN H H 8.793 0.000 . 201 112 72 GLN CA C 55.562 0.000 . 202 112 72 GLN CB C 23.807 0.000 . 203 112 72 GLN N N 116.180 0.000 . 204 113 73 SER H H 7.223 0.000 . 205 113 73 SER CA C 52.986 0.000 . 206 113 73 SER CB C 60.525 0.000 . 207 113 73 SER N N 108.540 0.000 . 208 114 74 ARG H H 7.044 0.000 . 209 114 74 ARG CA C 53.429 0.000 . 210 114 74 ARG CB C 26.712 0.000 . 211 114 74 ARG N N 124.937 0.000 . 212 115 75 VAL H H 6.883 0.000 . 213 115 75 VAL CA C 58.805 0.000 . 214 115 75 VAL CB C 27.357 0.000 . 215 115 75 VAL N N 123.295 0.000 . 216 116 76 CYS H H 8.603 0.000 . 217 116 76 CYS CA C 54.582 0.000 . 218 116 76 CYS CB C 24.723 0.000 . 219 116 76 CYS N N 127.527 0.000 . 220 117 77 LEU H H 9.145 0.000 . 221 117 77 LEU CA C 51.276 0.000 . 222 117 77 LEU CB C 36.227 0.000 . 223 117 77 LEU N N 127.285 0.000 . 224 118 78 GLY H H 9.305 0.000 . 225 118 78 GLY CA C 42.810 0.000 . 226 118 78 GLY N N 113.024 0.000 . 227 119 79 ARG H H 7.335 0.000 . 228 119 79 ARG CA C 55.166 0.000 . 229 119 79 ARG CB C 22.320 0.000 . 230 119 79 ARG N N 118.680 0.000 . 231 120 80 ALA H H 7.252 0.000 . 232 120 80 ALA CA C 51.202 0.000 . 233 120 80 ALA N N 120.141 0.000 . 234 121 81 GLN H H 7.790 0.000 . 235 121 81 GLN CA C 54.012 0.000 . 236 121 81 GLN CB C 24.276 0.000 . 237 121 81 GLN N N 114.060 0.000 . 238 122 82 SER H H 7.859 0.000 . 239 122 82 SER CA C 54.970 0.000 . 240 122 82 SER CB C 60.986 0.000 . 241 122 82 SER N N 114.169 0.000 . 242 123 83 GLN H H 8.306 0.000 . 243 123 83 GLN CA C 53.054 0.000 . 244 123 83 GLN CB C 28.333 0.000 . 245 123 83 GLN N N 118.355 0.000 . 246 124 84 GLU H H 7.749 0.000 . 247 124 84 GLU CA C 52.299 0.000 . 248 124 84 GLU N N 117.061 0.000 . 249 125 85 ASP H H 7.670 0.000 . 250 125 85 ASP CA C 51.804 0.000 . 251 125 85 ASP N N 121.270 0.000 . 252 126 86 GLY H H 8.178 0.000 . 253 126 86 GLY CA C 41.996 0.000 . 254 126 86 GLY N N 109.997 0.000 . 255 127 87 ASP H H 8.275 0.000 . 256 127 87 ASP CA C 49.451 0.000 . 257 127 87 ASP N N 121.018 0.000 . 258 128 88 TYR H H 7.433 0.000 . 259 128 88 TYR CA C 57.712 0.000 . 260 128 88 TYR CB C 36.793 0.000 . 261 128 88 TYR N N 119.553 0.000 . 262 129 89 ILE H H 7.952 0.000 . 263 129 89 ILE CA C 56.547 0.000 . 264 129 89 ILE CB C 37.571 0.000 . 265 129 89 ILE N N 125.286 0.000 . 266 130 90 ASN H H 8.032 0.000 . 267 130 90 ASN CA C 49.612 0.000 . 268 130 90 ASN CB C 31.980 0.000 . 269 130 90 ASN N N 126.410 0.000 . 270 131 91 ALA H H 7.468 0.000 . 271 131 91 ALA CA C 48.269 0.000 . 272 131 91 ALA CB C 18.970 0.000 . 273 131 91 ALA N N 128.550 0.000 . 274 132 92 ASN H H 8.427 0.000 . 275 132 92 ASN CA C 50.888 0.000 . 276 132 92 ASN CB C 41.588 0.000 . 277 132 92 ASN N N 115.981 0.000 . 278 133 93 TYR H H 8.823 0.000 . 279 133 93 TYR CA C 55.357 0.000 . 280 133 93 TYR CB C 36.334 0.000 . 281 133 93 TYR N N 120.788 0.000 . 282 134 94 ILE H H 9.062 0.000 . 283 134 94 ILE CA C 54.331 0.000 . 284 134 94 ILE CB C 34.328 0.000 . 285 134 94 ILE N N 124.608 0.000 . 286 135 95 ARG H H 8.571 0.000 . 287 135 95 ARG CA C 52.963 0.000 . 288 135 95 ARG CB C 27.357 0.000 . 289 135 95 ARG N N 126.785 0.000 . 290 136 96 GLY H H 8.849 0.000 . 291 136 96 GLY CA C 39.830 0.000 . 292 136 96 GLY N N 104.779 0.000 . 293 139 99 GLY H H 7.895 0.000 . 294 139 99 GLY CA C 42.247 0.000 . 295 139 99 GLY N N 105.202 0.000 . 296 140 100 LYS H H 6.612 0.000 . 297 140 100 LYS CA C 53.859 0.000 . 298 140 100 LYS CB C 28.593 0.000 . 299 140 100 LYS N N 121.602 0.000 . 300 141 101 GLU H H 8.451 0.000 . 301 141 101 GLU CA C 54.197 0.000 . 302 141 101 GLU CB C 26.352 0.000 . 303 141 101 GLU N N 124.231 0.000 . 304 142 102 LYS H H 9.239 0.000 . 305 142 102 LYS CA C 54.422 0.000 . 306 142 102 LYS CB C 26.658 0.000 . 307 142 102 LYS N N 114.109 0.000 . 308 143 103 VAL H H 7.131 0.000 . 309 143 103 VAL CA C 61.762 0.000 . 310 143 103 VAL CB C 27.816 0.000 . 311 143 103 VAL N N 118.034 0.000 . 312 144 104 TYR H H 8.148 0.000 . 313 144 104 TYR CA C 50.637 0.000 . 314 144 104 TYR CB C 37.644 0.000 . 315 144 104 TYR N N 114.340 0.000 . 316 145 105 ILE H H 8.837 0.000 . 317 145 105 ILE CA C 57.888 0.000 . 318 145 105 ILE CB C 38.795 0.000 . 319 145 105 ILE N N 121.597 0.000 . 320 146 106 ALA H H 8.368 0.000 . 321 146 106 ALA CA C 46.279 0.000 . 322 146 106 ALA CB C 17.842 0.000 . 323 146 106 ALA N N 128.622 0.000 . 324 147 107 THR H H 8.278 0.000 . 325 147 107 THR CA C 54.970 0.000 . 326 147 107 THR CB C 67.775 0.000 . 327 147 107 THR N N 115.563 0.000 . 328 148 108 GLN H H 6.540 0.000 . 329 148 108 GLN CA C 49.505 0.000 . 330 148 108 GLN CB C 25.153 0.000 . 331 148 108 GLN N N 117.592 0.000 . 332 149 109 GLY H H 8.574 0.000 . 333 149 109 GLY CA C 41.426 0.000 . 334 149 109 GLY N N 110.784 0.000 . 335 151 111 MET H H 8.036 0.000 . 336 151 111 MET CA C 50.640 0.000 . 337 151 111 MET CB C 30.532 0.000 . 338 151 111 MET N N 121.817 0.000 . 339 153 113 ASN H H 8.567 0.000 . 340 153 113 ASN CA C 50.523 0.000 . 341 153 113 ASN CB C 33.270 0.000 . 342 153 113 ASN N N 107.787 0.000 . 343 154 114 THR H H 8.219 0.000 . 344 154 114 THR CA C 57.569 0.000 . 345 154 114 THR CB C 65.955 0.000 . 346 154 114 THR N N 110.953 0.000 . 347 155 115 VAL H H 7.065 0.000 . 348 155 115 VAL CA C 64.665 0.000 . 349 155 115 VAL CB C 28.271 0.000 . 350 155 115 VAL N N 123.893 0.000 . 351 156 116 SER H H 8.278 0.000 . 352 156 116 SER CA C 59.822 0.000 . 353 156 116 SER CB C 58.529 0.000 . 354 156 116 SER N N 113.781 0.000 . 355 157 117 ASP H H 7.373 0.000 . 356 157 117 ASP CA C 54.236 0.000 . 357 157 117 ASP CB C 37.087 0.000 . 358 157 117 ASP N N 122.510 0.000 . 359 158 118 PHE H H 8.187 0.000 . 360 158 118 PHE CA C 58.777 0.000 . 361 158 118 PHE CB C 34.411 0.000 . 362 158 118 PHE N N 120.645 0.000 . 363 159 119 TRP H H 7.873 0.000 . 364 159 119 TRP CA C 56.474 0.000 . 365 159 119 TRP N N 119.089 0.000 . 366 160 120 GLU H H 9.208 0.000 . 367 160 120 GLU CA C 56.201 0.000 . 368 160 120 GLU CB C 26.844 0.000 . 369 160 120 GLU N N 121.105 0.000 . 370 161 121 MET H H 9.070 0.000 . 371 161 121 MET CA C 50.706 0.000 . 372 161 121 MET CB C 28.002 0.000 . 373 161 121 MET N N 128.575 0.000 . 374 162 122 VAL H H 8.271 0.000 . 375 162 122 VAL CA C 53.067 0.000 . 376 162 122 VAL CB C 35.205 0.000 . 377 162 122 VAL N N 127.282 0.000 . 378 163 123 TRP H H 6.040 0.000 . 379 163 123 TRP CA C 50.270 0.000 . 380 163 123 TRP CB C 25.368 0.000 . 381 163 123 TRP N N 118.297 0.000 . 382 164 124 GLN H H 9.072 0.000 . 383 164 124 GLN CA C 57.523 0.000 . 384 164 124 GLN N N 115.535 0.000 . 385 168 128 SER H H 9.572 0.000 . 386 168 128 SER CA C 55.380 0.000 . 387 168 128 SER CB C 61.947 0.000 . 388 168 128 SER N N 120.964 0.000 . 389 169 129 LEU H H 8.048 0.000 . 390 169 129 LEU CA C 51.778 0.000 . 391 169 129 LEU CB C 41.656 0.000 . 392 169 129 LEU N N 130.035 0.000 . 393 173 133 LEU H H 8.014 0.000 . 394 173 133 LEU CA C 51.035 0.000 . 395 173 133 LEU CB C 39.019 0.000 . 396 173 133 LEU N N 124.739 0.000 . 397 174 134 THR H H 7.216 0.000 . 398 174 134 THR CA C 56.848 0.000 . 399 174 134 THR CB C 67.646 0.000 . 400 174 134 THR N N 112.939 0.000 . 401 175 135 GLN H H 8.446 0.000 . 402 175 135 GLN CA C 51.777 0.000 . 403 175 135 GLN CB C 27.816 0.000 . 404 175 135 GLN N N 118.003 0.000 . 405 176 136 LEU H H 8.665 0.000 . 406 176 136 LEU CA C 54.263 0.000 . 407 176 136 LEU N N 123.942 0.000 . 408 177 137 ARG H H 7.752 0.000 . 409 177 137 ARG CA C 54.536 0.000 . 410 177 137 ARG CB C 37.062 0.000 . 411 177 137 ARG N N 118.206 0.000 . 412 179 139 GLY H H 7.998 0.000 . 413 179 139 GLY N N 108.836 0.000 . 414 181 141 GLU H H 8.477 0.000 . 415 181 141 GLU CA C 53.615 0.000 . 416 181 141 GLU CB C 26.975 0.000 . 417 181 141 GLU N N 122.359 0.000 . 418 183 143 CYS H H 7.735 0.000 . 419 183 143 CYS CA C 50.729 0.000 . 420 183 143 CYS CB C 41.048 0.000 . 421 183 143 CYS N N 115.901 0.000 . 422 184 144 VAL H H 8.268 0.000 . 423 184 144 VAL CA C 52.192 0.000 . 424 184 144 VAL CB C 40.576 0.000 . 425 184 144 VAL N N 121.270 0.000 . 426 185 145 HIS H H 9.137 0.000 . 427 185 145 HIS CA C 51.860 0.000 . 428 185 145 HIS CB C 31.926 0.000 . 429 185 145 HIS N N 126.393 0.000 . 430 186 146 TYR H H 6.085 0.000 . 431 186 146 TYR CA C 53.053 0.000 . 432 186 146 TYR N N 120.718 0.000 . 433 187 147 TRP H H 8.597 0.000 . 434 187 147 TRP CA C 54.612 0.000 . 435 187 147 TRP CB C 21.497 0.000 . 436 187 147 TRP N N 124.407 0.000 . 437 189 149 THR H H 8.183 0.000 . 438 189 149 THR CA C 61.826 0.000 . 439 189 149 THR CB C 64.865 0.000 . 440 189 149 THR N N 113.094 0.000 . 441 190 150 GLU H H 7.940 0.000 . 442 190 150 GLU CA C 55.836 0.000 . 443 190 150 GLU N N 121.391 0.000 . 444 191 151 GLU H H 7.884 0.000 . 445 191 151 GLU CA C 52.128 0.000 . 446 191 151 GLU CB C 28.268 0.000 . 447 191 151 GLU N N 119.266 0.000 . 448 192 152 GLU H H 8.698 0.000 . 449 192 152 GLU CA C 51.950 0.000 . 450 192 152 GLU CB C 30.014 0.000 . 451 192 152 GLU N N 124.345 0.000 . 452 193 153 THR H H 8.460 0.000 . 453 193 153 THR CA C 57.811 0.000 . 454 193 153 THR CB C 66.611 0.000 . 455 193 153 THR N N 118.858 0.000 . 456 194 154 TYR H H 8.851 0.000 . 457 194 154 TYR CA C 52.507 0.000 . 458 194 154 TYR CB C 36.119 0.000 . 459 194 154 TYR N N 126.778 0.000 . 460 195 155 GLY H H 8.823 0.000 . 461 195 155 GLY CA C 41.745 0.000 . 462 195 155 GLY N N 115.642 0.000 . 463 197 157 PHE H H 7.246 0.000 . 464 197 157 PHE CA C 54.261 0.000 . 465 197 157 PHE CB C 37.256 0.000 . 466 197 157 PHE N N 117.658 0.000 . 467 198 158 GLN H H 8.498 0.000 . 468 198 158 GLN CA C 52.085 0.000 . 469 198 158 GLN CB C 27.169 0.000 . 470 198 158 GLN N N 122.083 0.000 . 471 199 159 ILE H H 8.968 0.000 . 472 199 159 ILE CA C 56.566 0.000 . 473 199 159 ILE CB C 35.259 0.000 . 474 199 159 ILE N N 127.411 0.000 . 475 200 160 ARG H H 8.525 0.000 . 476 200 160 ARG CA C 50.473 0.000 . 477 200 160 ARG CB C 30.743 0.000 . 478 200 160 ARG N N 125.279 0.000 . 479 201 161 ILE H H 8.190 0.000 . 480 201 161 ILE CA C 56.460 0.000 . 481 201 161 ILE CB C 33.570 0.000 . 482 201 161 ILE N N 122.178 0.000 . 483 202 162 GLN H H 9.340 0.000 . 484 202 162 GLN CA C 53.168 0.000 . 485 202 162 GLN CB C 26.335 0.000 . 486 202 162 GLN N N 127.926 0.000 . 487 203 163 ASP H H 8.295 0.000 . 488 203 163 ASP N N 121.993 0.000 . 489 205 165 LYS H H 6.563 0.000 . 490 205 165 LYS CA C 53.601 0.000 . 491 205 165 LYS CB C 25.529 0.000 . 492 205 165 LYS N N 118.085 0.000 . 493 206 166 GLU H H 7.952 0.000 . 494 206 166 GLU CA C 61.992 0.000 . 495 206 166 GLU CB C 27.679 0.000 . 496 206 166 GLU N N 121.251 0.000 . 497 207 167 CYS H H 8.267 0.000 . 498 207 167 CYS N N 122.932 0.000 . 499 209 169 GLU H H 7.873 0.000 . 500 209 169 GLU CA C 53.533 0.000 . 501 209 169 GLU CB C 26.781 0.000 . 502 209 169 GLU N N 111.531 0.000 . 503 210 170 TYR H H 6.713 0.000 . 504 210 170 TYR CA C 52.968 0.000 . 505 210 170 TYR CB C 36.351 0.000 . 506 210 170 TYR N N 112.106 0.000 . 507 211 171 THR H H 8.696 0.000 . 508 211 171 THR CA C 58.686 0.000 . 509 211 171 THR CB C 67.969 0.000 . 510 211 171 THR N N 115.632 0.000 . 511 212 172 VAL H H 9.304 0.000 . 512 212 172 VAL CA C 58.048 0.000 . 513 212 172 VAL CB C 29.937 0.000 . 514 212 172 VAL N N 129.371 0.000 . 515 213 173 ARG H H 8.594 0.000 . 516 213 173 ARG CA C 56.953 0.000 . 517 213 173 ARG CB C 25.255 0.000 . 518 213 173 ARG N N 120.495 0.000 . 519 214 174 GLN H H 7.523 0.000 . 520 214 174 GLN CA C 57.882 0.000 . 521 214 174 GLN CB C 35.769 0.000 . 522 214 174 GLN N N 121.473 0.000 . 523 221 181 GLU H H 8.335 0.000 . 524 221 181 GLU CA C 53.533 0.000 . 525 221 181 GLU N N 120.517 0.000 . 526 222 182 GLU H H 8.376 0.000 . 527 222 182 GLU CA C 53.305 0.000 . 528 222 182 GLU CB C 26.199 0.000 . 529 222 182 GLU N N 123.578 0.000 . 530 223 183 ARG H H 8.560 0.000 . 531 223 183 ARG CA C 51.709 0.000 . 532 223 183 ARG N N 124.433 0.000 . 533 224 184 ARG H H 9.252 0.000 . 534 224 184 ARG CA C 51.344 0.000 . 535 224 184 ARG CB C 30.958 0.000 . 536 224 184 ARG N N 123.503 0.000 . 537 225 185 SER H H 8.499 0.000 . 538 225 185 SER CA C 54.399 0.000 . 539 225 185 SER CB C 60.986 0.000 . 540 225 185 SER N N 116.807 0.000 . 541 226 186 VAL H H 8.872 0.000 . 542 226 186 VAL CA C 57.928 0.000 . 543 226 186 VAL N N 125.624 0.000 . 544 227 187 LYS H H 8.509 0.000 . 545 227 187 LYS CA C 59.826 0.000 . 546 227 187 LYS N N 122.786 0.000 . 547 228 188 HIS H H 7.723 0.000 . 548 228 188 HIS CA C 57.842 0.000 . 549 228 188 HIS N N 120.809 0.000 . 550 230 190 LEU H H 8.258 0.000 . 551 230 190 LEU CA C 59.649 0.000 . 552 230 190 LEU N N 120.238 0.000 . 553 231 191 PHE H H 7.658 0.000 . 554 231 191 PHE CA C 54.126 0.000 . 555 231 191 PHE CB C 37.321 0.000 . 556 231 191 PHE N N 118.440 0.000 . 557 232 192 SER H H 8.223 0.000 . 558 232 192 SER CA C 54.714 0.000 . 559 232 192 SER CB C 60.081 0.000 . 560 232 192 SER N N 122.115 0.000 . 561 233 193 ALA H H 5.422 0.000 . 562 233 193 ALA CA C 47.570 0.000 . 563 233 193 ALA CB C 15.637 0.000 . 564 233 193 ALA N N 121.262 0.000 . 565 234 194 TRP H H 8.033 0.000 . 566 234 194 TRP CA C 52.784 0.000 . 567 234 194 TRP CB C 24.723 0.000 . 568 234 194 TRP N N 124.585 0.000 . 569 236 196 ASP H H 8.565 0.000 . 570 236 196 ASP CA C 52.138 0.000 . 571 236 196 ASP CB C 31.566 0.000 . 572 236 196 ASP N N 129.898 0.000 . 573 237 197 HIS H H 8.981 0.000 . 574 237 197 HIS CA C 52.986 0.000 . 575 237 197 HIS CB C 27.303 0.000 . 576 237 197 HIS N N 127.235 0.000 . 577 238 198 GLN H H 8.133 0.000 . 578 238 198 GLN CA C 52.793 0.000 . 579 238 198 GLN CB C 24.131 0.000 . 580 238 198 GLN N N 124.062 0.000 . 581 239 199 THR H H 7.596 0.000 . 582 239 199 THR CA C 55.996 0.000 . 583 239 199 THR CB C 65.706 0.000 . 584 239 199 THR N N 115.065 0.000 . 585 242 202 SER H H 7.862 0.000 . 586 242 202 SER CA C 56.087 0.000 . 587 242 202 SER CB C 60.856 0.000 . 588 242 202 SER N N 115.772 0.000 . 589 244 204 GLY H H 7.992 0.000 . 590 244 204 GLY CA C 45.256 0.000 . 591 244 204 GLY N N 105.227 0.000 . 592 247 207 LEU H H 7.443 0.000 . 593 247 207 LEU CA C 54.520 0.000 . 594 247 207 LEU CB C 36.674 0.000 . 595 247 207 LEU N N 119.861 0.000 . 596 248 208 ARG H H 8.040 0.000 . 597 248 208 ARG CA C 56.589 0.000 . 598 248 208 ARG CB C 26.523 0.000 . 599 248 208 ARG N N 121.105 0.000 . 600 249 209 LEU H H 7.893 0.000 . 601 249 209 LEU CA C 54.612 0.000 . 602 249 209 LEU CB C 36.603 0.000 . 603 249 209 LEU N N 123.386 0.000 . 604 250 210 VAL H H 7.990 0.000 . 605 250 210 VAL CA C 64.318 0.000 . 606 250 210 VAL CB C 27.234 0.000 . 607 250 210 VAL N N 118.660 0.000 . 608 251 211 ALA H H 7.751 0.000 . 609 251 211 ALA CA C 51.934 0.000 . 610 251 211 ALA CB C 75.211 0.000 . 611 251 211 ALA N N 121.285 0.000 . 612 252 212 GLU H H 7.668 0.000 . 613 252 212 GLU CA C 55.037 0.000 . 614 252 212 GLU CB C 24.842 0.000 . 615 252 212 GLU N N 119.680 0.000 . 616 253 213 VAL H H 7.576 0.000 . 617 253 213 VAL CA C 62.038 0.000 . 618 253 213 VAL N N 117.515 0.000 . 619 254 214 GLU H H 8.095 0.000 . 620 254 214 GLU N N 120.586 0.000 . 621 255 215 GLU H H 7.822 0.000 . 622 255 215 GLU CA C 52.848 0.000 . 623 255 215 GLU N N 117.921 0.000 . 624 256 216 SER H H 7.606 0.000 . 625 256 216 SER CA C 53.966 0.000 . 626 256 216 SER CB C 59.757 0.000 . 627 256 216 SER N N 118.411 0.000 . 628 258 218 GLU H H 8.813 0.000 . 629 258 218 GLU CA C 55.175 0.000 . 630 258 218 GLU CB C 25.798 0.000 . 631 258 218 GLU N N 119.230 0.000 . 632 259 219 THR H H 7.668 0.000 . 633 259 219 THR CA C 59.233 0.000 . 634 259 219 THR CB C 65.770 0.000 . 635 259 219 THR N N 112.865 0.000 . 636 260 220 ALA H H 7.697 0.000 . 637 260 220 ALA CA C 49.666 0.000 . 638 260 220 ALA CB C 15.476 0.000 . 639 260 220 ALA N N 124.718 0.000 . 640 261 221 ALA H H 7.863 0.000 . 641 261 221 ALA CA C 49.606 0.000 . 642 261 221 ALA CB C 15.272 0.000 . 643 261 221 ALA N N 121.213 0.000 . 644 264 224 GLY H H 7.978 0.000 . 645 264 224 GLY CA C 41.107 0.000 . 646 264 224 GLY N N 109.898 0.000 . 647 266 226 ILE H H 7.881 0.000 . 648 266 226 ILE CA C 55.357 0.000 . 649 266 226 ILE CB C 28.268 0.000 . 650 266 226 ILE N N 117.081 0.000 . 651 267 227 VAL H H 7.552 0.000 . 652 267 227 VAL CA C 55.748 0.000 . 653 267 227 VAL CB C 24.648 0.000 . 654 267 227 VAL N N 120.050 0.000 . 655 269 229 HIS H H 8.589 0.000 . 656 269 229 HIS CA C 51.481 0.000 . 657 269 229 HIS CB C 25.359 0.000 . 658 269 229 HIS N N 122.849 0.000 . 659 270 230 CYS H H 7.413 0.000 . 660 270 230 CYS CA C 53.873 0.000 . 661 270 230 CYS CB C 22.708 0.000 . 662 270 230 CYS N N 115.682 0.000 . 663 271 231 SER H H 7.433 0.000 . 664 271 231 SER N N 119.491 0.000 . 665 273 233 GLY H H 8.679 0.000 . 666 273 233 GLY CA C 44.071 0.000 . 667 273 233 GLY N N 111.172 0.000 . 668 274 234 ILE H H 7.062 0.000 . 669 274 234 ILE CA C 58.412 0.000 . 670 274 234 ILE CB C 37.515 0.000 . 671 274 234 ILE N N 105.972 0.000 . 672 276 236 ARG H H 7.261 0.000 . 673 276 236 ARG CA C 57.373 0.000 . 674 276 236 ARG N N 106.246 0.000 . 675 277 237 THR H H 9.093 0.000 . 676 277 237 THR CA C 64.660 0.000 . 677 277 237 THR N N 117.799 0.000 . 678 278 238 GLY H H 6.199 0.000 . 679 278 238 GLY CA C 45.028 0.000 . 680 278 238 GLY N N 105.508 0.000 . 681 279 239 CYS H H 8.295 0.000 . 682 279 239 CYS CA C 60.715 0.000 . 683 279 239 CYS N N 119.478 0.000 . 684 280 240 PHE H H 8.784 0.000 . 685 280 240 PHE CA C 59.416 0.000 . 686 280 240 PHE CB C 36.281 0.000 . 687 280 240 PHE N N 121.580 0.000 . 688 281 241 ILE H H 7.701 0.000 . 689 281 241 ILE CA C 62.900 0.000 . 690 281 241 ILE N N 118.557 0.000 . 691 282 242 ALA H H 8.405 0.000 . 692 282 242 ALA CA C 51.732 0.000 . 693 282 242 ALA N N 117.645 0.000 . 694 283 243 THR H H 7.662 0.000 . 695 283 243 THR CA C 64.136 0.000 . 696 283 243 THR N N 113.780 0.000 . 697 284 244 ARG H H 7.537 0.000 . 698 284 244 ARG CA C 58.335 0.000 . 699 284 244 ARG CB C 24.518 0.000 . 700 284 244 ARG N N 123.106 0.000 . 701 285 245 ILE H H 8.150 0.000 . 702 285 245 ILE CA C 62.080 0.000 . 703 285 245 ILE CB C 34.984 0.000 . 704 285 245 ILE N N 118.014 0.000 . 705 286 246 GLY H H 8.562 0.000 . 706 286 246 GLY CA C 44.663 0.000 . 707 286 246 GLY N N 108.874 0.000 . 708 287 247 CYS H H 8.392 0.000 . 709 287 247 CYS CA C 60.551 0.000 . 710 287 247 CYS N N 122.155 0.000 . 711 288 248 GLN H H 7.595 0.000 . 712 288 248 GLN CA C 55.878 0.000 . 713 288 248 GLN CB C 24.712 0.000 . 714 288 248 GLN N N 119.527 0.000 . 715 289 249 GLN H H 8.341 0.000 . 716 289 249 GLN CA C 57.382 0.000 . 717 289 249 GLN N N 119.714 0.000 . 718 290 250 LEU H H 8.313 0.000 . 719 290 250 LEU N N 119.399 0.000 . 720 291 251 LYS H H 8.427 0.000 . 721 291 251 LYS CA C 56.285 0.000 . 722 291 251 LYS N N 119.536 0.000 . 723 292 252 ALA H H 7.664 0.000 . 724 292 252 ALA CA C 51.321 0.000 . 725 292 252 ALA CB C 16.565 0.000 . 726 292 252 ALA N N 117.903 0.000 . 727 293 253 ARG H H 8.588 0.000 . 728 293 253 ARG CA C 52.645 0.000 . 729 293 253 ARG CB C 29.174 0.000 . 730 293 253 ARG N N 112.705 0.000 . 731 294 254 GLY H H 8.076 0.000 . 732 294 254 GLY CA C 43.250 0.000 . 733 294 254 GLY N N 108.549 0.000 . 734 295 255 GLU H H 7.356 0.000 . 735 295 255 GLU CA C 50.899 0.000 . 736 295 255 GLU CB C 29.562 0.000 . 737 295 255 GLU N N 117.218 0.000 . 738 296 256 VAL H H 8.956 0.000 . 739 296 256 VAL CA C 55.152 0.000 . 740 296 256 VAL CB C 31.120 0.000 . 741 296 256 VAL N N 118.725 0.000 . 742 297 257 ASP H H 8.198 0.000 . 743 297 257 ASP CA C 48.084 0.000 . 744 297 257 ASP CB C 36.657 0.000 . 745 297 257 ASP N N 128.406 0.000 . 746 298 258 ILE H H 7.793 0.000 . 747 298 258 ILE CA C 63.159 0.000 . 748 298 258 ILE CB C 36.603 0.000 . 749 298 258 ILE N N 126.087 0.000 . 750 299 259 LEU H H 9.249 0.000 . 751 299 259 LEU CA C 55.471 0.000 . 752 299 259 LEU CB C 30.851 0.000 . 753 299 259 LEU N N 123.993 0.000 . 754 300 260 GLY H H 8.368 0.000 . 755 300 260 GLY CA C 44.048 0.000 . 756 300 260 GLY N N 106.867 0.000 . 757 301 261 ILE H H 8.288 0.000 . 758 301 261 ILE CA C 62.653 0.000 . 759 301 261 ILE CB C 34.722 0.000 . 760 301 261 ILE N N 123.811 0.000 . 761 302 262 VAL H H 8.515 0.000 . 762 302 262 VAL CA C 64.812 0.000 . 763 302 262 VAL N N 120.088 0.000 . 764 303 263 CYS H H 8.396 0.000 . 765 303 263 CYS CA C 61.787 0.000 . 766 303 263 CYS N N 117.983 0.000 . 767 304 264 GLN H H 7.990 0.000 . 768 304 264 GLN CA C 54.323 0.000 . 769 304 264 GLN CB C 37.770 0.000 . 770 304 264 GLN N N 117.197 0.000 . 771 306 266 ARG H H 7.873 0.000 . 772 306 266 ARG CA C 54.970 0.000 . 773 306 266 ARG CB C 60.986 0.000 . 774 306 266 ARG N N 116.199 0.000 . 775 307 267 LEU H H 7.289 0.000 . 776 307 267 LEU CA C 54.003 0.000 . 777 307 267 LEU CB C 37.579 0.000 . 778 307 267 LEU N N 118.206 0.000 . 779 308 268 ASP H H 7.075 0.000 . 780 308 268 ASP CA C 53.989 0.000 . 781 308 268 ASP CB C 39.260 0.000 . 782 308 268 ASP N N 120.090 0.000 . 783 309 269 ARG H H 8.504 0.000 . 784 309 269 ARG CA C 53.693 0.000 . 785 309 269 ARG CB C 28.217 0.000 . 786 309 269 ARG N N 122.025 0.000 . 787 310 270 GLY H H 8.967 0.000 . 788 310 270 GLY CA C 43.637 0.000 . 789 310 270 GLY N N 113.436 0.000 . 790 311 271 GLY H H 7.888 0.000 . 791 311 271 GLY CA C 41.905 0.000 . 792 311 271 GLY N N 103.487 0.000 . 793 312 272 MET H H 6.451 0.000 . 794 312 272 MET CA C 54.236 0.000 . 795 312 272 MET CB C 30.958 0.000 . 796 312 272 MET N N 115.287 0.000 . 797 313 273 ILE H H 8.527 0.000 . 798 313 273 ILE CA C 61.627 0.000 . 799 313 273 ILE CB C 30.855 0.000 . 800 313 273 ILE N N 115.443 0.000 . 801 314 274 GLN H H 8.121 0.000 . 802 314 274 GLN CA C 55.296 0.000 . 803 314 274 GLN CB C 28.592 0.000 . 804 314 274 GLN N N 122.403 0.000 . 805 315 275 THR H H 7.083 0.000 . 806 315 275 THR CA C 55.106 0.000 . 807 315 275 THR CB C 69.288 0.000 . 808 315 275 THR N N 105.342 0.000 . 809 316 276 ALA H H 8.807 0.000 . 810 316 276 ALA CA C 50.763 0.000 . 811 316 276 ALA CB C 74.664 0.000 . 812 316 276 ALA N N 124.784 0.000 . 813 317 277 GLU H H 8.294 0.000 . 814 317 277 GLU CA C 56.771 0.000 . 815 317 277 GLU CB C 24.842 0.000 . 816 317 277 GLU N N 118.887 0.000 . 817 318 278 GLN H H 7.723 0.000 . 818 318 278 GLN CA C 55.748 0.000 . 819 318 278 GLN CB C 24.777 0.000 . 820 318 278 GLN N N 121.718 0.000 . 821 319 279 TYR H H 7.518 0.000 . 822 319 279 TYR CA C 58.754 0.000 . 823 319 279 TYR CB C 35.743 0.000 . 824 319 279 TYR N N 121.641 0.000 . 825 320 280 GLN H H 8.680 0.000 . 826 320 280 GLN CA C 55.950 0.000 . 827 320 280 GLN CB C 24.185 0.000 . 828 320 280 GLN N N 120.587 0.000 . 829 321 281 PHE H H 8.521 0.000 . 830 321 281 PHE CA C 56.988 0.000 . 831 321 281 PHE CB C 35.291 0.000 . 832 321 281 PHE N N 123.716 0.000 . 833 322 282 LEU H H 8.197 0.000 . 834 322 282 LEU CA C 56.543 0.000 . 835 322 282 LEU CB C 37.732 0.000 . 836 322 282 LEU N N 121.798 0.000 . 837 323 283 HIS H H 6.987 0.000 . 838 323 283 HIS CA C 58.658 0.000 . 839 323 283 HIS CB C 23.872 0.000 . 840 323 283 HIS N N 115.978 0.000 . 841 324 284 HIS H H 7.870 0.000 . 842 324 284 HIS CA C 55.709 0.000 . 843 324 284 HIS N N 119.190 0.000 . 844 325 285 THR H H 8.332 0.000 . 845 325 285 THR CA C 63.725 0.000 . 846 325 285 THR CB C 64.593 0.000 . 847 325 285 THR N N 117.522 0.000 . 848 326 286 LEU H H 7.626 0.000 . 849 326 286 LEU CA C 53.807 0.000 . 850 326 286 LEU N N 120.562 0.000 . 851 327 287 ALA H H 8.030 0.000 . 852 327 287 ALA N N 122.525 0.000 . 853 328 288 LEU H H 7.429 0.000 . 854 328 288 LEU CA C 54.466 0.000 . 855 328 288 LEU CB C 37.062 0.000 . 856 328 288 LEU N N 121.048 0.000 . 857 329 289 TYR H H 7.818 0.000 . 858 329 289 TYR CA C 58.335 0.000 . 859 329 289 TYR CB C 34.282 0.000 . 860 329 289 TYR N N 120.546 0.000 . 861 330 290 ALA H H 8.434 0.000 . 862 330 290 ALA CA C 51.481 0.000 . 863 330 290 ALA CB C 75.340 0.000 . 864 330 290 ALA N N 119.635 0.000 . 865 331 291 GLY H H 7.331 0.000 . 866 331 291 GLY CA C 42.634 0.000 . 867 331 291 GLY N N 101.780 0.000 . 868 332 292 GLN H H 7.455 0.000 . 869 332 292 GLN CA C 51.804 0.000 . 870 332 292 GLN CB C 24.906 0.000 . 871 332 292 GLN N N 118.029 0.000 . 872 333 293 LEU H H 6.771 0.000 . 873 333 293 LEU CA C 49.935 0.000 . 874 333 293 LEU CB C 36.711 0.000 . 875 333 293 LEU N N 122.324 0.000 . 876 336 296 GLU H H 8.360 0.000 . 877 336 296 GLU CA C 50.911 0.000 . 878 336 296 GLU N N 123.454 0.000 . stop_ save_