data_27122 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence Specific Backbone Assignment of the catalytic domain of HePTP (residues 44-339) in presence of vanadate (inhibitor) at pH 7.8 ; _BMRB_accession_number 27122 _BMRB_flat_file_name bmr27122.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" 179 "13C chemical shifts" 315 "15N chemical shifts" 179 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' 27121 'catalytic domain of HePTP (residues 44-339) 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) 'VANADATE ION' $entity_VO4 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_ ############# # Ligands # ############# save_VO4 _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_VO4 (VANADATE ION)" _BMRB_code VO4 _PDB_code VO4 _Molecular_mass 114.939 _Mol_charge -3 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons V V V . 0 . ? O1 O1 O . 0 . ? O2 O2 O . -1 . ? O3 O3 O . -1 . ? O4 O4 O . -1 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB V O1 ? ? SING V O2 ? ? SING V O3 ? ? SING V O4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_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 $Hematopoietic_Protein_Tyrosine_Phosphatase_(PTPN7_HePTP) 520 uM '[U-13C; U-15N]' TRIS 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' 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_HN(CO)CA_3 _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 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 48 8 GLU H H 8.197 0.000 . 2 48 8 GLU CA C 55.106 0.000 . 3 48 8 GLU CB C 25.587 0.000 . 4 48 8 GLU N N 118.967 0.000 . 5 49 9 VAL H H 7.688 0.000 . 6 49 9 VAL CA C 62.796 0.000 . 7 49 9 VAL CB C 28.074 0.000 . 8 49 9 VAL N N 120.792 0.000 . 9 51 11 LEU H H 8.067 0.000 . 10 51 11 LEU CA C 54.779 0.000 . 11 51 11 LEU CB C 37.385 0.000 . 12 51 11 LEU N N 120.631 0.000 . 13 52 12 HIS H H 7.894 0.000 . 14 52 12 HIS CA C 57.341 0.000 . 15 52 12 HIS N N 118.042 0.000 . 16 53 13 PHE H H 7.911 0.000 . 17 53 13 PHE CA C 58.595 0.000 . 18 53 13 PHE N N 120.831 0.000 . 19 54 14 LEU H H 8.024 0.000 . 20 54 14 LEU CA C 54.377 0.000 . 21 54 14 LEU CB C 37.515 0.000 . 22 54 14 LEU N N 117.178 0.000 . 23 55 15 ARG H H 7.943 0.000 . 24 55 15 ARG CA C 54.970 0.000 . 25 55 15 ARG CB C 27.687 0.000 . 26 55 15 ARG N N 113.556 0.000 . 27 56 16 THR H H 7.132 0.000 . 28 56 16 THR CA C 58.823 0.000 . 29 56 16 THR CB C 68.266 0.000 . 30 56 16 THR N N 106.867 0.000 . 31 57 17 ALA H H 7.804 0.000 . 32 57 17 ALA CA C 49.935 0.000 . 33 57 17 ALA CB C 15.584 0.000 . 34 57 17 ALA N N 127.517 0.000 . 35 58 18 GLY H H 7.701 0.000 . 36 58 18 GLY CA C 43.455 0.000 . 37 58 18 GLY N N 105.920 0.000 . 38 59 19 HIS H H 10.184 0.000 . 39 59 19 HIS CA C 50.341 0.000 . 40 59 19 HIS CB C 26.070 0.000 . 41 59 19 HIS N N 122.800 0.000 . 42 61 21 LEU H H 8.989 0.000 . 43 61 21 LEU CA C 50.090 0.000 . 44 61 21 LEU CB C 40.957 0.000 . 45 61 21 LEU N N 125.655 0.000 . 46 62 22 THR H H 8.037 0.000 . 47 62 22 THR CA C 58.270 0.000 . 48 62 22 THR CB C 68.034 0.000 . 49 62 22 THR N N 112.258 0.000 . 50 63 23 ARG H H 7.837 0.000 . 51 63 23 ARG CA C 56.748 0.000 . 52 63 23 ARG CB C 26.005 0.000 . 53 63 23 ARG N N 118.087 0.000 . 54 65 25 ALA H H 8.003 0.000 . 55 65 25 ALA CA C 52.193 0.000 . 56 65 25 ALA CB C 15.154 0.000 . 57 65 25 ALA N N 123.406 0.000 . 58 66 26 LEU H H 8.087 0.000 . 59 66 26 LEU CA C 54.377 0.000 . 60 66 26 LEU CB C 38.679 0.000 . 61 66 26 LEU N N 115.058 0.000 . 62 67 27 GLN H H 7.231 0.000 . 63 67 27 GLN CA C 54.972 0.000 . 64 67 27 GLN CB C 27.945 0.000 . 65 67 27 GLN N N 111.182 0.000 . 66 68 28 ARG H H 8.095 0.000 . 67 68 28 ARG CA C 52.986 0.000 . 68 68 28 ARG CB C 27.557 0.000 . 69 68 28 ARG N N 115.379 0.000 . 70 69 29 GLN H H 8.318 0.000 . 71 69 29 GLN CA C 50.446 0.000 . 72 69 29 GLN CB C 26.199 0.000 . 73 69 29 GLN N N 119.824 0.000 . 74 72 32 SER H H 8.387 0.000 . 75 72 32 SER CA C 52.963 0.000 . 76 72 32 SER CB C 59.840 0.000 . 77 72 32 SER N N 118.610 0.000 . 78 76 36 LEU H H 8.163 0.000 . 79 76 36 LEU CA C 54.391 0.000 . 80 76 36 LEU CB C 38.226 0.000 . 81 76 36 LEU N N 119.327 0.000 . 82 77 37 GLU H H 8.202 0.000 . 83 77 37 GLU CA C 57.042 0.000 . 84 77 37 GLU CB C 26.005 0.000 . 85 77 37 GLU N N 120.968 0.000 . 86 78 38 GLU H H 7.755 0.000 . 87 78 38 GLU CA C 56.178 0.000 . 88 78 38 GLU N N 117.297 0.000 . 89 79 39 GLU H H 7.919 0.000 . 90 79 39 GLU CA C 56.524 0.000 . 91 79 39 GLU CB C 28.010 0.000 . 92 79 39 GLU N N 119.709 0.000 . 93 80 40 PHE H H 8.407 0.000 . 94 80 40 PHE CA C 57.683 0.000 . 95 80 40 PHE CB C 35.316 0.000 . 96 80 40 PHE N N 118.564 0.000 . 97 81 41 LEU H H 7.910 0.000 . 98 81 41 LEU CA C 53.328 0.000 . 99 81 41 LEU CB C 37.838 0.000 . 100 81 41 LEU N N 117.284 0.000 . 101 82 42 LYS H H 6.986 0.000 . 102 82 42 LYS CA C 53.291 0.000 . 103 82 42 LYS CB C 29.303 0.000 . 104 82 42 LYS N N 116.970 0.000 . 105 83 43 ILE H H 6.998 0.000 . 106 83 43 ILE CA C 56.794 0.000 . 107 83 43 ILE CB C 34.605 0.000 . 108 83 43 ILE N N 120.413 0.000 . 109 85 45 SER H H 8.505 0.000 . 110 85 45 SER CA C 58.270 0.000 . 111 85 45 SER N N 119.347 0.000 . 112 86 46 ASN H H 8.471 0.000 . 113 86 46 ASN CA C 50.318 0.000 . 114 86 46 ASN CB C 35.575 0.000 . 115 86 46 ASN N N 117.056 0.000 . 116 87 47 PHE H H 7.485 0.000 . 117 87 47 PHE CA C 54.391 0.000 . 118 87 47 PHE CB C 35.575 0.000 . 119 87 47 PHE N N 114.161 0.000 . 120 88 48 VAL H H 9.063 0.000 . 121 88 48 VAL CA C 56.999 0.000 . 122 88 48 VAL CB C 29.131 0.000 . 123 88 48 VAL N N 120.908 0.000 . 124 89 49 SER H H 8.923 0.000 . 125 89 49 SER CA C 52.940 0.000 . 126 89 49 SER CB C 59.934 0.000 . 127 89 49 SER N N 121.155 0.000 . 128 92 52 ASP H H 7.649 0.000 . 129 92 52 ASP CA C 52.553 0.000 . 130 92 52 ASP CB C 37.256 0.000 . 131 92 52 ASP N N 118.664 0.000 . 132 93 53 LEU H H 7.252 0.000 . 133 93 53 LEU CA C 52.735 0.000 . 134 93 53 LEU CB C 39.131 0.000 . 135 93 53 LEU N N 120.457 0.000 . 136 98 58 HIS H H 8.530 0.000 . 137 98 58 HIS CA C 51.549 0.000 . 138 98 58 HIS N N 114.460 0.000 . 139 99 59 ALA H H 8.238 0.000 . 140 99 59 ALA CA C 51.264 0.000 . 141 99 59 ALA N N 121.241 0.000 . 142 101 61 LYS H H 8.166 0.000 . 143 101 61 LYS CA C 52.645 0.000 . 144 101 61 LYS CB C 28.656 0.000 . 145 101 61 LYS N N 120.497 0.000 . 146 102 62 ASP H H 7.146 0.000 . 147 102 62 ASP CA C 50.741 0.000 . 148 102 62 ASP CB C 39.990 0.000 . 149 102 62 ASP N N 121.678 0.000 . 150 103 63 ARG H H 9.013 0.000 . 151 103 63 ARG CA C 56.201 0.000 . 152 103 63 ARG CB C 27.142 0.000 . 153 103 63 ARG N N 126.259 0.000 . 154 104 64 TYR H H 9.518 0.000 . 155 104 64 TYR CA C 53.328 0.000 . 156 104 64 TYR CB C 35.797 0.000 . 157 104 64 TYR N N 119.525 0.000 . 158 105 65 LYS H H 8.366 0.000 . 159 105 65 LYS CA C 55.197 0.000 . 160 105 65 LYS CB C 28.428 0.000 . 161 105 65 LYS N N 120.654 0.000 . 162 106 66 THR H H 7.355 0.000 . 163 106 66 THR CA C 57.751 0.000 . 164 106 66 THR CB C 65.318 0.000 . 165 106 66 THR N N 102.567 0.000 . 166 107 67 ILE H H 7.210 0.000 . 167 107 67 ILE CA C 58.268 0.000 . 168 107 67 ILE CB C 33.378 0.000 . 169 107 67 ILE N N 126.340 0.000 . 170 108 68 LEU H H 7.873 0.000 . 171 108 68 LEU CA C 48.161 0.000 . 172 108 68 LEU CB C 39.775 0.000 . 173 108 68 LEU N N 125.848 0.000 . 174 110 70 ASN H H 7.975 0.000 . 175 110 70 ASN CA C 49.929 0.000 . 176 110 70 ASN CB C 32.019 0.000 . 177 110 70 ASN N N 121.463 0.000 . 178 113 73 SER H H 7.232 0.000 . 179 113 73 SER CA C 52.986 0.000 . 180 113 73 SER CB C 60.525 0.000 . 181 113 73 SER N N 108.622 0.000 . 182 114 74 ARG H H 7.020 0.000 . 183 114 74 ARG CA C 53.328 0.000 . 184 114 74 ARG CB C 26.712 0.000 . 185 114 74 ARG N N 124.687 0.000 . 186 115 75 VAL H H 6.891 0.000 . 187 115 75 VAL CA C 58.805 0.000 . 188 115 75 VAL CB C 27.357 0.000 . 189 115 75 VAL N N 123.065 0.000 . 190 116 76 CYS H H 8.567 0.000 . 191 116 76 CYS CA C 54.582 0.000 . 192 116 76 CYS CB C 24.723 0.000 . 193 116 76 CYS N N 127.248 0.000 . 194 117 77 LEU H H 9.145 0.000 . 195 117 77 LEU CA C 51.276 0.000 . 196 117 77 LEU CB C 36.227 0.000 . 197 117 77 LEU N N 127.285 0.000 . 198 118 78 GLY H H 9.305 0.000 . 199 118 78 GLY CA C 42.611 0.000 . 200 118 78 GLY N N 113.024 0.000 . 201 123 83 GLN H H 8.306 0.000 . 202 123 83 GLN CA C 53.054 0.000 . 203 123 83 GLN N N 118.355 0.000 . 204 128 88 TYR H H 7.402 0.000 . 205 128 88 TYR CA C 57.614 0.000 . 206 128 88 TYR CB C 36.793 0.000 . 207 128 88 TYR N N 119.560 0.000 . 208 129 89 ILE H H 7.877 0.000 . 209 129 89 ILE CA C 56.406 0.000 . 210 129 89 ILE CB C 37.571 0.000 . 211 129 89 ILE N N 125.226 0.000 . 212 130 90 ASN H H 8.012 0.000 . 213 130 90 ASN CA C 49.612 0.000 . 214 130 90 ASN CB C 31.980 0.000 . 215 130 90 ASN N N 126.460 0.000 . 216 131 91 ALA H H 7.492 0.000 . 217 131 91 ALA CA C 48.269 0.000 . 218 131 91 ALA CB C 18.970 0.000 . 219 131 91 ALA N N 128.800 0.000 . 220 132 92 ASN H H 8.550 0.000 . 221 132 92 ASN CA C 50.888 0.000 . 222 132 92 ASN CB C 41.588 0.000 . 223 132 92 ASN N N 116.170 0.000 . 224 133 93 TYR H H 8.899 0.000 . 225 133 93 TYR CA C 55.357 0.000 . 226 133 93 TYR CB C 36.334 0.000 . 227 133 93 TYR N N 120.934 0.000 . 228 134 94 ILE H H 9.051 0.000 . 229 134 94 ILE CA C 54.331 0.000 . 230 134 94 ILE CB C 34.328 0.000 . 231 134 94 ILE N N 124.651 0.000 . 232 135 95 ARG H H 8.567 0.000 . 233 135 95 ARG CA C 52.963 0.000 . 234 135 95 ARG CB C 27.357 0.000 . 235 135 95 ARG N N 126.825 0.000 . 236 136 96 GLY H H 8.833 0.000 . 237 136 96 GLY CA C 39.830 0.000 . 238 136 96 GLY N N 104.770 0.000 . 239 138 98 ASP H H 8.294 0.000 . 240 138 98 ASP CA C 60.693 0.000 . 241 138 98 ASP N N 121.983 0.000 . 242 139 99 GLY H H 7.898 0.000 . 243 139 99 GLY CA C 42.247 0.000 . 244 139 99 GLY N N 105.202 0.000 . 245 140 100 LYS H H 6.626 0.000 . 246 140 100 LYS CA C 53.859 0.000 . 247 140 100 LYS CB C 28.593 0.000 . 248 140 100 LYS N N 121.501 0.000 . 249 141 101 GLU H H 8.451 0.000 . 250 141 101 GLU CA C 54.197 0.000 . 251 141 101 GLU CB C 26.352 0.000 . 252 141 101 GLU N N 124.231 0.000 . 253 142 102 LYS H H 9.239 0.000 . 254 142 102 LYS CA C 54.422 0.000 . 255 142 102 LYS CB C 26.658 0.000 . 256 142 102 LYS N N 113.853 0.000 . 257 143 103 VAL H H 7.114 0.000 . 258 143 103 VAL CA C 61.762 0.000 . 259 143 103 VAL CB C 27.816 0.000 . 260 143 103 VAL N N 117.910 0.000 . 261 144 104 TYR H H 8.148 0.000 . 262 144 104 TYR CA C 50.637 0.000 . 263 144 104 TYR CB C 37.644 0.000 . 264 144 104 TYR N N 114.340 0.000 . 265 145 105 ILE H H 8.811 0.000 . 266 145 105 ILE CA C 57.865 0.000 . 267 145 105 ILE CB C 38.795 0.000 . 268 145 105 ILE N N 121.474 0.000 . 269 146 106 ALA H H 8.439 0.000 . 270 146 106 ALA CA C 46.279 0.000 . 271 146 106 ALA CB C 17.842 0.000 . 272 146 106 ALA N N 128.612 0.000 . 273 147 107 THR H H 8.092 0.000 . 274 147 107 THR CA C 54.833 0.000 . 275 147 107 THR CB C 67.775 0.000 . 276 147 107 THR N N 115.514 0.000 . 277 148 108 GLN H H 6.478 0.000 . 278 148 108 GLN CA C 49.953 0.000 . 279 148 108 GLN CB C 25.153 0.000 . 280 148 108 GLN N N 118.067 0.000 . 281 151 111 MET H H 8.117 0.000 . 282 151 111 MET CA C 50.751 0.000 . 283 151 111 MET CB C 30.532 0.000 . 284 151 111 MET N N 122.260 0.000 . 285 154 114 THR H H 8.241 0.000 . 286 154 114 THR CA C 57.569 0.000 . 287 154 114 THR CB C 65.955 0.000 . 288 154 114 THR N N 110.912 0.000 . 289 155 115 VAL H H 7.065 0.000 . 290 155 115 VAL CA C 64.665 0.000 . 291 155 115 VAL CB C 28.271 0.000 . 292 155 115 VAL N N 124.033 0.000 . 293 156 116 SER H H 8.299 0.000 . 294 156 116 SER CA C 59.822 0.000 . 295 156 116 SER CB C 58.529 0.000 . 296 156 116 SER N N 113.732 0.000 . 297 157 117 ASP H H 7.341 0.000 . 298 157 117 ASP CA C 54.236 0.000 . 299 157 117 ASP CB C 37.087 0.000 . 300 157 117 ASP N N 122.500 0.000 . 301 158 118 PHE H H 8.173 0.000 . 302 158 118 PHE CA C 58.917 0.000 . 303 158 118 PHE CB C 34.411 0.000 . 304 158 118 PHE N N 120.645 0.000 . 305 159 119 TRP H H 7.896 0.000 . 306 159 119 TRP CA C 56.588 0.000 . 307 159 119 TRP N N 118.832 0.000 . 308 160 120 GLU H H 9.223 0.000 . 309 160 120 GLU CA C 55.768 0.000 . 310 160 120 GLU CB C 26.844 0.000 . 311 160 120 GLU N N 121.190 0.000 . 312 161 121 MET H H 9.058 0.000 . 313 161 121 MET CA C 50.706 0.000 . 314 161 121 MET CB C 28.002 0.000 . 315 161 121 MET N N 128.495 0.000 . 316 162 122 VAL H H 8.263 0.000 . 317 162 122 VAL CA C 53.328 0.000 . 318 162 122 VAL CB C 35.205 0.000 . 319 162 122 VAL N N 127.312 0.000 . 320 163 123 TRP H H 6.011 0.000 . 321 163 123 TRP CA C 50.660 0.000 . 322 163 123 TRP CB C 25.368 0.000 . 323 163 123 TRP N N 118.297 0.000 . 324 164 124 GLN H H 9.061 0.000 . 325 164 124 GLN CA C 57.523 0.000 . 326 164 124 GLN N N 115.375 0.000 . 327 168 128 SER H H 9.586 0.000 . 328 168 128 SER CA C 55.380 0.000 . 329 168 128 SER CB C 61.947 0.000 . 330 168 128 SER N N 120.926 0.000 . 331 169 129 LEU H H 8.044 0.000 . 332 169 129 LEU CA C 51.778 0.000 . 333 169 129 LEU CB C 41.656 0.000 . 334 169 129 LEU N N 130.105 0.000 . 335 175 135 GLN H H 8.406 0.000 . 336 175 135 GLN CA C 51.618 0.000 . 337 175 135 GLN CB C 27.816 0.000 . 338 175 135 GLN N N 117.824 0.000 . 339 183 143 CYS H H 7.735 0.000 . 340 183 143 CYS CA C 50.729 0.000 . 341 183 143 CYS N N 115.901 0.000 . 342 184 144 VAL H H 8.246 0.000 . 343 184 144 VAL CA C 52.192 0.000 . 344 184 144 VAL CB C 32.31 0.000 . 345 184 144 VAL N N 121.402 0.000 . 346 185 145 HIS H H 9.153 0.000 . 347 185 145 HIS CA C 52.302 0.000 . 348 185 145 HIS CB C 31.926 0.000 . 349 185 145 HIS N N 126.473 0.000 . 350 187 147 TRP H H 8.592 0.000 . 351 187 147 TRP CA C 54.612 0.000 . 352 187 147 TRP CB C 21.497 0.000 . 353 187 147 TRP N N 124.372 0.000 . 354 189 149 THR H H 8.171 0.000 . 355 189 149 THR CA C 61.826 0.000 . 356 189 149 THR CB C 64.865 0.000 . 357 189 149 THR N N 112.653 0.000 . 358 190 150 GLU H H 7.910 0.000 . 359 190 150 GLU CA C 54.513 0.000 . 360 190 150 GLU N N 120.557 0.000 . 361 192 152 GLU H H 8.705 0.000 . 362 192 152 GLU CA C 51.950 0.000 . 363 192 152 GLU CB C 30.014 0.000 . 364 192 152 GLU N N 124.352 0.000 . 365 193 153 THR H H 8.488 0.000 . 366 193 153 THR CA C 58.207 0.000 . 367 193 153 THR N N 118.937 0.000 . 368 194 154 TYR H H 8.851 0.000 . 369 194 154 TYR CA C 52.507 0.000 . 370 194 154 TYR CB C 36.119 0.000 . 371 194 154 TYR N N 126.778 0.000 . 372 197 157 PHE H H 7.143 0.000 . 373 197 157 PHE CA C 53.761 0.000 . 374 197 157 PHE CB C 37.256 0.000 . 375 197 157 PHE N N 117.343 0.000 . 376 198 158 GLN H H 8.433 0.000 . 377 198 158 GLN CA C 53.556 0.000 . 378 198 158 GLN CB C 27.169 0.000 . 379 198 158 GLN N N 121.814 0.000 . 380 199 159 ILE H H 8.972 0.000 . 381 199 159 ILE CA C 56.566 0.000 . 382 199 159 ILE CB C 35.259 0.000 . 383 199 159 ILE N N 127.591 0.000 . 384 200 160 ARG H H 8.517 0.000 . 385 200 160 ARG CA C 50.706 0.000 . 386 200 160 ARG CB C 30.743 0.000 . 387 200 160 ARG N N 125.159 0.000 . 388 201 161 ILE H H 8.190 0.000 . 389 201 161 ILE CA C 56.460 0.000 . 390 201 161 ILE CB C 33.570 0.000 . 391 201 161 ILE N N 122.178 0.000 . 392 202 162 GLN H H 9.328 0.000 . 393 202 162 GLN CA C 53.168 0.000 . 394 202 162 GLN CB C 26.335 0.000 . 395 202 162 GLN N N 127.796 0.000 . 396 206 166 GLU H H 7.923 0.000 . 397 206 166 GLU CA C 58.572 0.000 . 398 206 166 GLU N N 120.810 0.000 . 399 209 169 GLU H H 7.873 0.000 . 400 209 169 GLU CA C 54.171 0.000 . 401 209 169 GLU CB C 26.781 0.000 . 402 209 169 GLU N N 111.531 0.000 . 403 210 170 TYR H H 6.757 0.000 . 404 210 170 TYR CA C 53.214 0.000 . 405 210 170 TYR CB C 36.351 0.000 . 406 210 170 TYR N N 112.076 0.000 . 407 211 171 THR H H 8.550 0.000 . 408 211 171 THR CA C 58.823 0.000 . 409 211 171 THR CB C 67.969 0.000 . 410 211 171 THR N N 115.766 0.000 . 411 212 172 VAL H H 9.244 0.000 . 412 212 172 VAL CA C 58.048 0.000 . 413 212 172 VAL CB C 29.937 0.000 . 414 212 172 VAL N N 129.151 0.000 . 415 213 173 ARG H H 8.611 0.000 . 416 213 173 ARG CA C 56.041 0.000 . 417 213 173 ARG CB C 25.255 0.000 . 418 213 173 ARG N N 120.432 0.000 . 419 221 181 GLU H H 8.335 0.000 . 420 221 181 GLU CA C 53.191 0.000 . 421 221 181 GLU N N 120.517 0.000 . 422 222 182 GLU H H 8.355 0.000 . 423 222 182 GLU CA C 53.168 0.000 . 424 222 182 GLU CB C 26.199 0.000 . 425 222 182 GLU N N 123.718 0.000 . 426 223 183 ARG H H 8.560 0.000 . 427 223 183 ARG CA C 51.709 0.000 . 428 223 183 ARG N N 124.433 0.000 . 429 224 184 ARG H H 9.253 0.000 . 430 224 184 ARG CA C 51.344 0.000 . 431 224 184 ARG CB C 30.958 0.000 . 432 224 184 ARG N N 123.568 0.000 . 433 225 185 SER H H 8.501 0.000 . 434 225 185 SER CA C 54.582 0.000 . 435 225 185 SER CB C 60.986 0.000 . 436 225 185 SER N N 116.807 0.000 . 437 226 186 VAL H H 8.856 0.000 . 438 226 186 VAL CA C 57.928 0.000 . 439 226 186 VAL N N 125.505 0.000 . 440 230 190 LEU H H 8.258 0.000 . 441 230 190 LEU CA C 59.644 0.000 . 442 230 190 LEU N N 120.238 0.000 . 443 231 191 PHE H H 7.663 0.000 . 444 231 191 PHE CA C 54.126 0.000 . 445 231 191 PHE CB C 37.321 0.000 . 446 231 191 PHE N N 118.440 0.000 . 447 233 193 ALA H H 5.444 0.000 . 448 233 193 ALA CA C 47.742 0.000 . 449 233 193 ALA CB C 15.637 0.000 . 450 233 193 ALA N N 122.703 0.000 . 451 236 196 ASP H H 8.565 0.000 . 452 236 196 ASP CA C 52.138 0.000 . 453 236 196 ASP CB C 30.528 0.000 . 454 236 196 ASP N N 129.898 0.000 . 455 237 197 HIS H H 8.981 0.000 . 456 237 197 HIS CA C 52.986 0.000 . 457 237 197 HIS CB C 27.303 0.000 . 458 237 197 HIS N N 127.467 0.000 . 459 238 198 GLN H H 8.092 0.000 . 460 238 198 GLN CA C 53.373 0.000 . 461 238 198 GLN CB C 24.131 0.000 . 462 238 198 GLN N N 124.117 0.000 . 463 244 204 GLY H H 7.897 0.000 . 464 244 204 GLY CA C 45.667 0.000 . 465 244 204 GLY N N 105.277 0.000 . 466 247 207 LEU H H 7.421 0.000 . 467 247 207 LEU CA C 54.354 0.000 . 468 247 207 LEU CB C 36.674 0.000 . 469 247 207 LEU N N 119.320 0.000 . 470 249 209 LEU H H 7.973 0.000 . 471 249 209 LEU CA C 54.742 0.000 . 472 249 209 LEU CB C 36.603 0.000 . 473 249 209 LEU N N 123.276 0.000 . 474 250 210 VAL H H 8.112 0.000 . 475 250 210 VAL CA C 64.318 0.000 . 476 250 210 VAL CB C 27.234 0.000 . 477 250 210 VAL N N 118.383 0.000 . 478 251 211 ALA H H 7.722 0.000 . 479 251 211 ALA CA C 51.800 0.000 . 480 251 211 ALA CB C 14.159 0.000 . 481 251 211 ALA N N 121.497 0.000 . 482 252 212 GLU H H 7.847 0.000 . 483 252 212 GLU CA C 55.037 0.000 . 484 252 212 GLU CB C 24.842 0.000 . 485 252 212 GLU N N 119.799 0.000 . 486 253 213 VAL H H 7.528 0.000 . 487 253 213 VAL CA C 61.468 0.000 . 488 253 213 VAL N N 116.317 0.000 . 489 256 216 SER H H 7.663 0.000 . 490 256 216 SER CA C 54.171 0.000 . 491 256 216 SER CB C 59.757 0.000 . 492 256 216 SER N N 118.382 0.000 . 493 260 220 ALA CA C 49.666 0.000 . 494 260 220 ALA CB C 15.476 0.000 . 495 264 224 GLY H H 7.961 0.000 . 496 264 224 GLY CA C 41.107 0.000 . 497 264 224 GLY N N 109.746 0.000 . 498 267 227 VAL H H 7.552 0.000 . 499 267 227 VAL CA C 55.748 0.000 . 500 267 227 VAL CB C 24.648 0.000 . 501 267 227 VAL N N 120.050 0.000 . 502 269 229 HIS H H 8.573 0.000 . 503 269 229 HIS CA C 51.481 0.000 . 504 269 229 HIS CB C 25.359 0.000 . 505 269 229 HIS N N 122.555 0.000 . 506 270 230 CYS H H 7.406 0.000 . 507 270 230 CYS CA C 53.873 0.000 . 508 270 230 CYS CB C 22.708 0.000 . 509 270 230 CYS N N 115.565 0.000 . 510 271 231 SER H H 7.430 0.000 . 511 271 231 SER CA C 60.009 0.000 . 512 271 231 SER N N 119.330 0.000 . 513 278 238 GLY H H 6.328 0.000 . 514 278 238 GLY CA C 44.823 0.000 . 515 278 238 GLY N N 107.295 0.000 . 516 279 239 CYS H H 8.405 0.000 . 517 279 239 CYS CA C 60.670 0.000 . 518 279 239 CYS N N 119.788 0.000 . 519 281 241 ILE H H 7.641 0.000 . 520 281 241 ILE CA C 62.900 0.000 . 521 281 241 ILE N N 118.675 0.000 . 522 282 242 ALA H H 8.404 0.000 . 523 282 242 ALA CA C 51.686 0.000 . 524 282 242 ALA N N 117.665 0.000 . 525 284 244 ARG H H 7.454 0.000 . 526 284 244 ARG CA C 58.335 0.000 . 527 284 244 ARG CB C 24.518 0.000 . 528 284 244 ARG N N 122.896 0.000 . 529 285 245 ILE H H 8.193 0.000 . 530 285 245 ILE CA C 61.969 0.000 . 531 285 245 ILE CB C 34.984 0.000 . 532 285 245 ILE N N 117.933 0.000 . 533 286 246 GLY H H 8.549 0.000 . 534 286 246 GLY CA C 44.663 0.000 . 535 286 246 GLY N N 108.874 0.000 . 536 288 248 GLN H H 7.647 0.000 . 537 288 248 GLN CA C 56.041 0.000 . 538 288 248 GLN CB C 24.712 0.000 . 539 288 248 GLN N N 119.455 0.000 . 540 289 249 GLN H H 8.396 0.000 . 541 289 249 GLN CA C 57.382 0.000 . 542 289 249 GLN N N 119.852 0.000 . 543 291 251 LYS H H 8.400 0.000 . 544 291 251 LYS CA C 56.285 0.000 . 545 291 251 LYS N N 119.524 0.000 . 546 292 252 ALA H H 7.682 0.000 . 547 292 252 ALA CA C 51.321 0.000 . 548 292 252 ALA CB C 16.565 0.000 . 549 292 252 ALA N N 117.808 0.000 . 550 293 253 ARG H H 8.588 0.000 . 551 293 253 ARG CA C 52.645 0.000 . 552 293 253 ARG CB C 29.174 0.000 . 553 293 253 ARG N N 112.705 0.000 . 554 294 254 GLY H H 8.057 0.000 . 555 294 254 GLY CA C 43.250 0.000 . 556 294 254 GLY N N 108.513 0.000 . 557 295 255 GLU H H 7.356 0.000 . 558 295 255 GLU CA C 50.899 0.000 . 559 295 255 GLU CB C 29.562 0.000 . 560 295 255 GLU N N 117.218 0.000 . 561 296 256 VAL H H 8.948 0.000 . 562 296 256 VAL CA C 55.152 0.000 . 563 296 256 VAL CB C 31.120 0.000 . 564 296 256 VAL N N 118.682 0.000 . 565 297 257 ASP H H 8.200 0.000 . 566 297 257 ASP CA C 48.084 0.000 . 567 297 257 ASP CB C 36.657 0.000 . 568 297 257 ASP N N 128.562 0.000 . 569 298 258 ILE H H 7.876 0.000 . 570 298 258 ILE CA C 63.159 0.000 . 571 298 258 ILE CB C 36.603 0.000 . 572 298 258 ILE N N 126.047 0.000 . 573 299 259 LEU H H 9.311 0.000 . 574 299 259 LEU CA C 55.471 0.000 . 575 299 259 LEU CB C 37.715 0.000 . 576 299 259 LEU N N 124.184 0.000 . 577 300 260 GLY H H 8.374 0.000 . 578 300 260 GLY CA C 44.048 0.000 . 579 300 260 GLY N N 106.840 0.000 . 580 301 261 ILE H H 8.271 0.000 . 581 301 261 ILE CA C 62.562 0.000 . 582 301 261 ILE N N 123.638 0.000 . 583 302 262 VAL H H 8.479 0.000 . 584 302 262 VAL CA C 64.812 0.000 . 585 302 262 VAL N N 119.986 0.000 . 586 303 263 CYS H H 8.353 0.000 . 587 303 263 CYS CA C 61.741 0.000 . 588 303 263 CYS N N 118.014 0.000 . 589 304 264 GLN H H 8.003 0.000 . 590 304 264 GLN CA C 55.585 0.000 . 591 304 264 GLN CB C 37.770 0.000 . 592 304 264 GLN N N 117.175 0.000 . 593 305 265 LEU H H 8.261 0.000 . 594 305 265 LEU CA C 54.992 0.000 . 595 305 265 LEU N N 119.566 0.000 . 596 306 266 ARG H H 7.788 0.000 . 597 306 266 ARG CA C 54.970 0.000 . 598 306 266 ARG CB C 37.554 0.000 . 599 306 266 ARG N N 116.091 0.000 . 600 307 267 LEU H H 7.289 0.000 . 601 307 267 LEU CA C 54.003 0.000 . 602 307 267 LEU CB C 37.579 0.000 . 603 307 267 LEU N N 118.206 0.000 . 604 308 268 ASP H H 7.074 0.000 . 605 308 268 ASP CA C 53.989 0.000 . 606 308 268 ASP CB C 39.260 0.000 . 607 308 268 ASP N N 120.024 0.000 . 608 309 269 ARG H H 8.504 0.000 . 609 309 269 ARG CA C 51.974 0.000 . 610 309 269 ARG N N 122.025 0.000 . 611 310 270 GLY H H 8.821 0.000 . 612 310 270 GLY CA C 43.637 0.000 . 613 310 270 GLY N N 113.042 0.000 . 614 311 271 GLY H H 7.903 0.000 . 615 311 271 GLY CA C 41.905 0.000 . 616 311 271 GLY N N 102.743 0.000 . 617 312 272 MET H H 6.387 0.000 . 618 312 272 MET CA C 54.236 0.000 . 619 312 272 MET CB C 30.958 0.000 . 620 312 272 MET N N 114.987 0.000 . 621 313 273 ILE H H 8.364 0.000 . 622 313 273 ILE CA C 61.627 0.000 . 623 313 273 ILE CB C 30.855 0.000 . 624 313 273 ILE N N 114.798 0.000 . 625 316 276 ALA H H 8.861 0.000 . 626 316 276 ALA CA C 50.634 0.000 . 627 316 276 ALA CB C 13.513 0.000 . 628 316 276 ALA N N 124.746 0.000 . 629 317 277 GLU H H 8.294 0.000 . 630 317 277 GLU CA C 56.520 0.000 . 631 317 277 GLU CB C 24.842 0.000 . 632 317 277 GLU N N 118.887 0.000 . 633 318 278 GLN H H 7.753 0.000 . 634 318 278 GLN CA C 56.064 0.000 . 635 318 278 GLN CB C 24.777 0.000 . 636 318 278 GLN N N 121.484 0.000 . 637 319 279 TYR H H 7.486 0.000 . 638 319 279 TYR CA C 58.777 0.000 . 639 319 279 TYR CB C 35.769 0.000 . 640 319 279 TYR N N 121.860 0.000 . 641 322 282 LEU H H 8.133 0.000 . 642 322 282 LEU CA C 54.513 0.000 . 643 322 282 LEU N N 121.424 0.000 . 644 323 283 HIS H H 6.970 0.000 . 645 323 283 HIS CA C 58.658 0.000 . 646 323 283 HIS CB C 23.872 0.000 . 647 323 283 HIS N N 115.978 0.000 . 648 327 287 ALA H H 7.950 0.000 . 649 327 287 ALA CA C 52.211 0.000 . 650 327 287 ALA N N 122.639 0.000 . 651 328 288 LEU H H 7.428 0.000 . 652 328 288 LEU CA C 54.585 0.000 . 653 328 288 LEU CB C 37.062 0.000 . 654 328 288 LEU N N 120.960 0.000 . 655 329 289 TYR H H 7.821 0.000 . 656 329 289 TYR CA C 58.435 0.000 . 657 329 289 TYR CB C 34.282 0.000 . 658 329 289 TYR N N 120.531 0.000 . 659 330 290 ALA H H 8.467 0.000 . 660 330 290 ALA CA C 51.299 0.000 . 661 330 290 ALA CB C 15.288 0.000 . 662 330 290 ALA N N 119.860 0.000 . 663 331 291 GLY H H 7.337 0.000 . 664 331 291 GLY CA C 42.634 0.000 . 665 331 291 GLY N N 101.870 0.000 . 666 332 292 GLN H H 7.415 0.000 . 667 332 292 GLN CA C 51.804 0.000 . 668 332 292 GLN CB C 24.906 0.000 . 669 332 292 GLN N N 117.847 0.000 . 670 333 293 LEU H H 6.783 0.000 . 671 333 293 LEU CA C 49.935 0.000 . 672 333 293 LEU CB C 36.711 0.000 . 673 333 293 LEU N N 122.244 0.000 . stop_ save_