data_15680 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific 1H, 13C and 15N backbone resonance assignments of the 34kDa catalytic domain of human PTPN7 ; _BMRB_accession_number 15680 _BMRB_flat_file_name bmr15680.str _Entry_type original _Submission_date 2008-03-13 _Accession_date 2008-03-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Sequence-specific 1H, 13C and 15N backbone resonance assignments of the 34kDa catalytic domain of human PTPN7' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jeeves Mark . . 2 McClelland Darren M. . 3 Barr Alastair J. . 4 Overduin Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 246 "13C chemical shifts" 763 "15N chemical shifts" 245 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-13 update BMRB 'added PubMed ID' 2008-12-02 update BMRB 'complete entry citation' 2008-06-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Sequence-specific 1H, 13C and 15N backbone resonance assignments of the 34 kDa catalytic domain of human PTPN7' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636879 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jeeves Mark . . 2 McClelland Darren M. . 3 Barr Alastair J. . 4 Overduin Michael . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 2 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 101 _Page_last 103 _Year 2008 _Details . loop_ _Keyword 'backbone resonance assignments' MAPK phosphatase PTPN7 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Phosphatase domain of PTPN7' _Enzyme_commission_number 3.1.3.48 loop_ _Mol_system_component_name _Mol_label 'Phosphatase domain of PTPN7' $PTPN7 stop_ _System_molecular_weight 33737.3 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PTPN7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PTPN7 _Molecular_mass 33737.3 _Mol_thiol_state 'all free' loop_ _Biological_function 'Protein tyrosine phosphatase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 296 _Mol_residue_sequence ; SMNTPREVTLHFLRTAGHPL TRWALQRQPPSPKQLEEEFL KIPSNFVSPEDLDIPGHASK DRYKTILPNPQSRVCLGRAQ SQEDGDYINANYIRGYDGKE KVYIATQGPMPNTVSDFWEM VWQEEVSLIVMLTQLREGKE KCVHYWPTEEETYGPFQIRI QDMKECPEYTVRQLTIQYQE ERRSVKHILFSAWPDHQTPE SAGPLLRLVAEVEESPETAA HPGPIVVHCSAGIGRTGCFI ATRIGCQQLKARGEVDILGI VCQLRLDRGGMIQTAEQYQF LHHTLALYAGQLPEEP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 SER 2 -1 MET 3 65 ASN 4 66 THR 5 67 PRO 6 68 ARG 7 69 GLU 8 70 VAL 9 71 THR 10 72 LEU 11 73 HIS 12 74 PHE 13 75 LEU 14 76 ARG 15 77 THR 16 78 ALA 17 79 GLY 18 80 HIS 19 81 PRO 20 82 LEU 21 83 THR 22 84 ARG 23 85 TRP 24 86 ALA 25 87 LEU 26 88 GLN 27 89 ARG 28 90 GLN 29 91 PRO 30 92 PRO 31 93 SER 32 94 PRO 33 95 LYS 34 96 GLN 35 97 LEU 36 98 GLU 37 99 GLU 38 100 GLU 39 101 PHE 40 102 LEU 41 103 LYS 42 104 ILE 43 105 PRO 44 106 SER 45 107 ASN 46 108 PHE 47 109 VAL 48 110 SER 49 111 PRO 50 112 GLU 51 113 ASP 52 114 LEU 53 115 ASP 54 116 ILE 55 117 PRO 56 118 GLY 57 119 HIS 58 120 ALA 59 121 SER 60 122 LYS 61 123 ASP 62 124 ARG 63 125 TYR 64 126 LYS 65 127 THR 66 128 ILE 67 129 LEU 68 130 PRO 69 131 ASN 70 132 PRO 71 133 GLN 72 134 SER 73 135 ARG 74 136 VAL 75 137 CYS 76 138 LEU 77 139 GLY 78 140 ARG 79 141 ALA 80 142 GLN 81 143 SER 82 144 GLN 83 145 GLU 84 146 ASP 85 147 GLY 86 148 ASP 87 149 TYR 88 150 ILE 89 151 ASN 90 152 ALA 91 153 ASN 92 154 TYR 93 155 ILE 94 156 ARG 95 157 GLY 96 158 TYR 97 159 ASP 98 160 GLY 99 161 LYS 100 162 GLU 101 163 LYS 102 164 VAL 103 165 TYR 104 166 ILE 105 167 ALA 106 168 THR 107 169 GLN 108 170 GLY 109 171 PRO 110 172 MET 111 173 PRO 112 174 ASN 113 175 THR 114 176 VAL 115 177 SER 116 178 ASP 117 179 PHE 118 180 TRP 119 181 GLU 120 182 MET 121 183 VAL 122 184 TRP 123 185 GLN 124 186 GLU 125 187 GLU 126 188 VAL 127 189 SER 128 190 LEU 129 191 ILE 130 192 VAL 131 193 MET 132 194 LEU 133 195 THR 134 196 GLN 135 197 LEU 136 198 ARG 137 199 GLU 138 200 GLY 139 201 LYS 140 202 GLU 141 203 LYS 142 204 CYS 143 205 VAL 144 206 HIS 145 207 TYR 146 208 TRP 147 209 PRO 148 210 THR 149 211 GLU 150 212 GLU 151 213 GLU 152 214 THR 153 215 TYR 154 216 GLY 155 217 PRO 156 218 PHE 157 219 GLN 158 220 ILE 159 221 ARG 160 222 ILE 161 223 GLN 162 224 ASP 163 225 MET 164 226 LYS 165 227 GLU 166 228 CYS 167 229 PRO 168 230 GLU 169 231 TYR 170 232 THR 171 233 VAL 172 234 ARG 173 235 GLN 174 236 LEU 175 237 THR 176 238 ILE 177 239 GLN 178 240 TYR 179 241 GLN 180 242 GLU 181 243 GLU 182 244 ARG 183 245 ARG 184 246 SER 185 247 VAL 186 248 LYS 187 249 HIS 188 250 ILE 189 251 LEU 190 252 PHE 191 253 SER 192 254 ALA 193 255 TRP 194 256 PRO 195 257 ASP 196 258 HIS 197 259 GLN 198 260 THR 199 261 PRO 200 262 GLU 201 263 SER 202 264 ALA 203 265 GLY 204 266 PRO 205 267 LEU 206 268 LEU 207 269 ARG 208 270 LEU 209 271 VAL 210 272 ALA 211 273 GLU 212 274 VAL 213 275 GLU 214 276 GLU 215 277 SER 216 278 PRO 217 279 GLU 218 280 THR 219 281 ALA 220 282 ALA 221 283 HIS 222 284 PRO 223 285 GLY 224 286 PRO 225 287 ILE 226 288 VAL 227 289 VAL 228 290 HIS 229 291 CYS 230 292 SER 231 293 ALA 232 294 GLY 233 295 ILE 234 296 GLY 235 297 ARG 236 298 THR 237 299 GLY 238 300 CYS 239 301 PHE 240 302 ILE 241 303 ALA 242 304 THR 243 305 ARG 244 306 ILE 245 307 GLY 246 308 CYS 247 309 GLN 248 310 GLN 249 311 LEU 250 312 LYS 251 313 ALA 252 314 ARG 253 315 GLY 254 316 GLU 255 317 VAL 256 318 ASP 257 319 ILE 258 320 LEU 259 321 GLY 260 322 ILE 261 323 VAL 262 324 CYS 263 325 GLN 264 326 LEU 265 327 ARG 266 328 LEU 267 329 ASP 268 330 ARG 269 331 GLY 270 332 GLY 271 333 MET 272 334 ILE 273 335 GLN 274 336 THR 275 337 ALA 276 338 GLU 277 339 GLN 278 340 TYR 279 341 GLN 280 342 PHE 281 343 LEU 282 344 HIS 283 345 HIS 284 346 THR 285 347 LEU 286 348 ALA 287 349 LEU 288 350 TYR 289 351 ALA 290 352 GLY 291 353 GLN 292 354 LEU 293 355 PRO 294 356 GLU 295 357 GLU 296 358 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1ZC0 "Crystal Structure Of Human Hematopoietic Tyrosine Phosphatase (heptp) Catalytic Domain" 99.66 309 100.00 100.00 0.00e+00 PDB 2A3K "Crystal Structure Of The Human Protein Tyrosine Phosphatase, Ptpn7 (Heptp, Hematopoietic Protein Tyrosine Phosphatase)" 100.00 296 100.00 100.00 0.00e+00 PDB 2GP0 "Heptp Catalytic Domain (Residues 44-339), S225d Mutant" 99.66 309 99.66 99.66 0.00e+00 PDB 2HVL "Crystal Structure Of The Heptp Catalytic Domain C270s Mutant" 99.66 309 99.66 99.66 0.00e+00 PDB 2QDC "Crystal Structure Of The Heptp Catalytic Domain D236a Mutant" 99.66 309 99.66 99.66 0.00e+00 PDB 2QDM "Crystal Structure Of The Heptp Catalytic Domain C270sD236AQ314A Mutant" 99.66 309 98.98 98.98 0.00e+00 PDB 2QDP "Crystal Structure Of The Heptp Catalytic Domain C270s Mutant Crystallized In Ammonium Acetate" 99.66 309 99.66 99.66 0.00e+00 PDB 3D42 "Crystal Structure Of Heptp In Complex With A Monophosphorylated Erk2 Peptide" 99.32 308 99.32 99.32 0.00e+00 PDB 3D44 "Crystal Structure Of Heptp In Complex With A Dually Phosphorylated Erk2 Peptide Mimetic" 99.32 308 99.32 99.32 0.00e+00 PDB 3O4S "Crystal Structure Of Heptp With A Closed Wpd Loop And An Ordered E- Loop" 99.32 308 99.66 99.66 0.00e+00 PDB 3O4T "Crystal Structure Of Heptp With An Open Wpd Loop And Partially Depleted Active Site" 99.32 308 99.66 99.66 0.00e+00 PDB 3O4U "Crystal Structure Of Heptp With An Atypically Open Wpd Loop" 99.32 308 99.66 99.66 0.00e+00 DBJ BAA01946 "protein-tyrosine phosphatase [Homo sapiens]" 100.00 360 99.32 99.66 0.00e+00 DBJ BAG54453 "unnamed protein product [Homo sapiens]" 100.00 465 99.66 100.00 0.00e+00 DBJ BAG56727 "unnamed protein product [Homo sapiens]" 63.18 189 100.00 100.00 2.24e-133 DBJ BAG62662 "unnamed protein product [Homo sapiens]" 100.00 308 99.66 100.00 0.00e+00 DBJ BAG64051 "unnamed protein product [Homo sapiens]" 100.00 434 99.66 100.00 0.00e+00 GB AAA59531 "protein tyrosine phosphatase [Homo sapiens]" 100.00 339 98.99 99.66 0.00e+00 GB AAH01746 "Protein tyrosine phosphatase, non-receptor type 7 [Homo sapiens]" 100.00 399 99.66 100.00 0.00e+00 GB AAM69538 "dual specificity phosphatase 1 [Homo sapiens]" 90.54 293 98.88 99.63 0.00e+00 GB AAP88850 "protein tyrosine phosphatase, non-receptor type 7 [Homo sapiens]" 100.00 360 99.66 100.00 0.00e+00 GB AAX32352 "protein tyrosine phosphatase non-receptor type 7 [synthetic construct]" 100.00 360 99.66 100.00 0.00e+00 REF NP_001186726 "tyrosine-protein phosphatase non-receptor type 7 isoform 3 [Homo sapiens]" 100.00 434 99.66 100.00 0.00e+00 REF NP_002823 "tyrosine-protein phosphatase non-receptor type 7 isoform 1 [Homo sapiens]" 100.00 465 99.66 100.00 0.00e+00 REF NP_542155 "tyrosine-protein phosphatase non-receptor type 7 isoform 2 [Homo sapiens]" 100.00 399 99.66 100.00 0.00e+00 REF XP_001106613 "PREDICTED: tyrosine-protein phosphatase non-receptor type 7 isoform 3 [Macaca mulatta]" 100.00 465 98.31 98.99 0.00e+00 REF XP_001140385 "PREDICTED: tyrosine-protein phosphatase non-receptor type 7 isoform X6 [Pan troglodytes]" 100.00 445 99.66 100.00 0.00e+00 SP P35236 "RecName: Full=Tyrosine-protein phosphatase non-receptor type 7; AltName: Full=Hematopoietic protein-tyrosine phosphatase; Short" 100.00 360 99.66 100.00 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PTPN7 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 _Variant _Vector_name $PTPN7 'recombinant technology' . Escherichia coli K12 BL21(DE3) pNIC28-Bsa4 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 $PTPN7 80 mM 'natural abundance' HEPES 50 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' PTPN7 1 mM '[U-100% 13C; U-100% 15N; 100% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '50% deuterated sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTPN7 1 mM '[U-100% 13C; U-100% 15N; 50% 2H]' 'sodium chloride' 80 mM 'natural abundance' HEPES 50 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details 'Fitted with cryogenic probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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 pH 7.2 0.1 pH pressure 1 . atm temperature 298 0.2 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 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.0 DSS N 15 'methyl protons' ppm 0 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D HN(CO)CA' '3D HN(COCA)CB' 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 'Phosphatase domain of PTPN7' _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 65 3 ASN C C 173.470 0.04 1 2 65 3 ASN CA C 53.266 0.08 1 3 65 3 ASN CB C 38.733 0.08 1 4 66 4 THR H H 8.042 0.005 1 5 66 4 THR CA C 60.147 0.08 1 6 66 4 THR CB C 69.074 0.08 1 7 66 4 THR N N 116.025 0.05 1 8 67 5 PRO C C 174.647 0.04 1 9 67 5 PRO CA C 64.198 0.08 1 10 67 5 PRO CB C 31.218 0.08 1 11 68 6 ARG H H 8.366 0.005 1 12 68 6 ARG C C 176.370 0.04 1 13 68 6 ARG CA C 58.379 0.08 1 14 68 6 ARG CB C 29.118 0.08 1 15 68 6 ARG N N 121.076 0.05 1 16 69 7 GLU H H 8.271 0.005 1 17 69 7 GLU C C 177.769 0.04 1 18 69 7 GLU CA C 59.058 0.08 1 19 69 7 GLU CB C 28.639 0.08 1 20 69 7 GLU N N 118.430 0.05 1 21 70 8 VAL H H 7.746 0.005 1 22 70 8 VAL C C 177.340 0.04 1 23 70 8 VAL CA C 65.719 0.08 1 24 70 8 VAL CB C 31.057 0.08 1 25 70 8 VAL N N 120.914 0.05 1 26 71 9 THR H H 7.844 0.005 1 27 71 9 THR C C 174.478 0.04 1 28 71 9 THR CA C 65.785 0.08 1 29 71 9 THR CB C 68.238 0.08 1 30 71 9 THR N N 117.710 0.05 1 31 72 10 LEU H H 8.100 0.005 1 32 72 10 LEU C C 176.949 0.04 1 33 72 10 LEU CA C 57.715 0.08 1 34 72 10 LEU CB C 40.516 0.08 1 35 72 10 LEU N N 120.695 0.05 1 36 73 11 HIS H H 7.970 0.005 1 37 73 11 HIS C C 176.999 0.04 1 38 73 11 HIS CA C 60.129 0.08 1 39 73 11 HIS CB C 30.146 0.08 1 40 73 11 HIS N N 117.939 0.05 1 41 74 12 PHE H H 7.966 0.005 1 42 74 12 PHE C C 175.848 0.04 1 43 74 12 PHE CA C 61.723 0.08 1 44 74 12 PHE CB C 38.487 0.08 1 45 74 12 PHE N N 121.167 0.05 1 46 75 13 LEU H H 8.066 0.005 1 47 75 13 LEU C C 176.843 0.04 1 48 75 13 LEU CA C 57.274 0.08 1 49 75 13 LEU CB C 40.310 0.08 1 50 75 13 LEU N N 117.282 0.05 1 51 76 14 ARG H H 7.974 0.005 1 52 76 14 ARG C C 176.140 0.04 1 53 76 14 ARG CA C 57.872 0.08 1 54 76 14 ARG CB C 30.820 0.08 1 55 76 14 ARG N N 113.709 0.05 1 56 77 15 THR H H 7.169 0.005 1 57 77 15 THR C C 173.391 0.04 1 58 77 15 THR CA C 61.835 0.08 1 59 77 15 THR CB C 71.205 0.08 1 60 77 15 THR N N 106.940 0.05 1 61 78 16 ALA H H 7.895 0.005 1 62 78 16 ALA C C 176.001 0.04 1 63 78 16 ALA CA C 52.889 0.08 1 64 78 16 ALA CB C 18.717 0.08 1 65 78 16 ALA N N 127.564 0.05 1 66 79 17 GLY H H 7.744 0.005 1 67 79 17 GLY C C 171.221 0.04 1 68 79 17 GLY CA C 46.460 0.08 1 69 79 17 GLY N N 105.662 0.05 1 70 80 18 HIS H H 10.487 0.005 1 71 80 18 HIS CA C 52.163 0.08 1 72 80 18 HIS CB C 29.160 0.08 1 73 80 18 HIS N N 121.968 0.05 1 74 81 19 PRO C C 174.854 0.04 1 75 81 19 PRO CA C 63.778 0.08 1 76 81 19 PRO CB C 31.130 0.08 1 77 82 20 LEU H H 9.058 0.005 1 78 82 20 LEU C C 174.982 0.04 1 79 82 20 LEU CA C 53.013 0.08 1 80 82 20 LEU CB C 43.999 0.08 1 81 82 20 LEU N N 125.555 0.05 1 82 83 21 THR H H 8.100 0.005 1 83 83 21 THR C C 172.310 0.04 1 84 83 21 THR CA C 61.337 0.08 1 85 83 21 THR CB C 70.933 0.08 1 86 83 21 THR N N 112.402 0.05 1 87 84 22 ARG H H 9.342 0.005 1 88 84 22 ARG C C 175.178 0.04 1 89 84 22 ARG CA C 60.058 0.08 1 90 84 22 ARG CB C 32.951 0.08 1 91 84 22 ARG N N 129.435 0.05 1 92 85 23 TRP H H 7.867 0.005 1 93 85 23 TRP C C 176.043 0.04 1 94 85 23 TRP CA C 60.324 0.08 1 95 85 23 TRP CB C 29.188 0.08 1 96 85 23 TRP N N 117.776 0.05 1 97 86 24 ALA H H 8.044 0.005 1 98 86 24 ALA C C 178.461 0.04 1 99 86 24 ALA CA C 55.081 0.08 1 100 86 24 ALA CB C 17.905 0.08 1 101 86 24 ALA N N 123.425 0.05 1 102 87 25 LEU H H 8.109 0.005 1 103 87 25 LEU C C 175.404 0.04 1 104 87 25 LEU CA C 57.294 0.08 1 105 87 25 LEU CB C 41.703 0.08 1 106 87 25 LEU N N 115.256 0.05 1 107 88 26 GLN H H 7.253 0.005 1 108 88 26 GLN C C 176.087 0.04 1 109 88 26 GLN CA C 57.769 0.08 1 110 88 26 GLN CB C 30.845 0.08 1 111 88 26 GLN N N 111.379 0.05 1 112 89 27 ARG H H 8.136 0.005 1 113 89 27 ARG C C 175.104 0.04 1 114 89 27 ARG CA C 55.838 0.08 1 115 89 27 ARG CB C 30.445 0.08 1 116 89 27 ARG N N 115.356 0.05 1 117 90 28 GLN H H 8.356 0.005 1 118 90 28 GLN CA C 53.328 0.08 1 119 90 28 GLN CB C 29.242 0.08 1 120 90 28 GLN N N 119.945 0.05 1 121 92 30 PRO C C 173.876 0.04 1 122 92 30 PRO CA C 61.990 0.08 1 123 92 30 PRO CB C 31.037 0.08 1 124 93 31 SER H H 8.432 0.005 1 125 93 31 SER CA C 55.846 0.08 1 126 93 31 SER CB C 63.047 0.08 1 127 93 31 SER N N 118.787 0.05 1 128 95 33 LYS C C 174.205 0.04 1 129 95 33 LYS CA C 56.196 0.08 1 130 95 33 LYS CB C 26.610 0.08 1 131 96 34 GLN H H 7.568 0.005 1 132 96 34 GLN C C 178.493 0.04 1 133 96 34 GLN CA C 56.100 0.08 1 134 96 34 GLN CB C 29.769 0.08 1 135 96 34 GLN N N 119.561 0.05 1 136 97 35 LEU H H 8.269 0.005 1 137 97 35 LEU C C 177.068 0.04 1 138 97 35 LEU CA C 57.233 0.08 1 139 97 35 LEU CB C 41.507 0.08 1 140 97 35 LEU N N 119.672 0.05 1 141 98 36 GLU H H 8.231 0.005 1 142 98 36 GLU C C 176.184 0.04 1 143 98 36 GLU CA C 59.881 0.08 1 144 98 36 GLU CB C 28.933 0.08 1 145 98 36 GLU N N 121.178 0.05 1 146 99 37 GLU H H 7.818 0.005 1 147 99 37 GLU C C 177.227 0.04 1 148 99 37 GLU CA C 59.140 0.08 1 149 99 37 GLU CB C 28.835 0.08 1 150 99 37 GLU N N 117.438 0.05 1 151 100 38 GLU H H 7.907 0.005 1 152 100 38 GLU C C 171.740 0.04 1 153 100 38 GLU CA C 59.450 0.08 1 154 100 38 GLU CB C 31.097 0.08 1 155 100 38 GLU N N 119.713 0.05 1 156 101 39 PHE H H 8.484 0.005 1 157 101 39 PHE C C 176.911 0.04 1 158 101 39 PHE CA C 60.703 0.08 1 159 101 39 PHE CB C 38.535 0.08 1 160 101 39 PHE N N 118.829 0.05 1 161 102 40 LEU H H 7.992 0.005 1 162 102 40 LEU C C 176.641 0.04 1 163 102 40 LEU CA C 56.283 0.08 1 164 102 40 LEU CB C 40.932 0.08 1 165 102 40 LEU N N 117.592 0.05 1 166 103 41 LYS H H 7.010 0.005 1 167 103 41 LYS C C 174.501 0.04 1 168 103 41 LYS CA C 56.340 0.08 1 169 103 41 LYS CB C 32.483 0.08 1 170 103 41 LYS N N 117.014 0.05 1 171 104 42 ILE H H 7.036 0.005 1 172 104 42 ILE CA C 59.508 0.08 1 173 104 42 ILE CB C 37.707 0.08 1 174 104 42 ILE N N 120.010 0.05 1 175 105 43 PRO C C 176.402 0.04 1 176 105 43 PRO CA C 62.293 0.08 1 177 105 43 PRO CB C 31.861 0.08 1 178 106 44 SER H H 8.545 0.005 1 179 106 44 SER C C 173.100 0.04 1 180 106 44 SER CA C 61.333 0.08 1 181 106 44 SER CB C 62.599 0.08 1 182 106 44 SER N N 119.512 0.05 1 183 107 45 ASN H H 8.519 0.005 1 184 107 45 ASN C C 173.139 0.04 1 185 107 45 ASN CA C 53.239 0.08 1 186 107 45 ASN CB C 38.673 0.08 1 187 107 45 ASN N N 117.189 0.05 1 188 108 46 PHE H H 7.564 0.005 1 189 108 46 PHE C C 176.767 0.04 1 190 108 46 PHE CA C 57.266 0.08 1 191 108 46 PHE CB C 38.710 0.08 1 192 108 46 PHE N N 114.458 0.05 1 193 109 47 VAL H H 9.120 0.005 1 194 109 47 VAL C C 173.906 0.04 1 195 109 47 VAL CA C 60.226 0.08 1 196 109 47 VAL CB C 32.273 0.08 1 197 109 47 VAL N N 122.604 0.05 1 198 110 48 SER H H 8.929 0.005 1 199 110 48 SER CA C 55.978 0.08 1 200 110 48 SER CB C 63.252 0.08 1 201 110 48 SER N N 122.921 0.05 1 202 111 49 PRO C C 177.538 0.04 1 203 111 49 PRO CA C 65.612 0.08 1 204 111 49 PRO CB C 30.794 0.08 1 205 112 50 GLU H H 8.754 0.005 1 206 112 50 GLU C C 175.659 0.04 1 207 112 50 GLU CA C 58.408 0.08 1 208 112 50 GLU CB C 27.788 0.08 1 209 112 50 GLU N N 116.615 0.05 1 210 113 51 ASP H H 7.723 0.005 1 211 113 51 ASP C C 174.315 0.04 1 212 113 51 ASP CA C 55.097 0.08 1 213 113 51 ASP CB C 40.593 0.08 1 214 113 51 ASP N N 118.894 0.05 1 215 114 52 LEU H H 7.243 0.005 1 216 114 52 LEU CA C 54.677 0.08 1 217 114 52 LEU CB C 42.039 0.08 1 218 114 52 LEU N N 121.383 0.05 1 219 118 56 GLY C C 173.020 0.04 1 220 118 56 GLY CA C 45.710 0.08 1 221 119 57 HIS H H 8.569 0.005 1 222 119 57 HIS C C 175.487 0.04 1 223 119 57 HIS CA C 54.680 0.08 1 224 119 57 HIS CB C 27.027 0.08 1 225 119 57 HIS N N 114.667 0.05 1 226 120 58 ALA H H 8.272 0.005 1 227 120 58 ALA CA C 54.209 0.08 1 228 120 58 ALA CB C 17.714 0.08 1 229 120 58 ALA N N 121.470 0.05 1 230 121 59 SER C C 173.174 0.04 1 231 121 59 SER CA C 59.608 0.08 1 232 121 59 SER CB C 62.628 0.08 1 233 122 60 LYS H H 8.109 0.005 1 234 122 60 LYS C C 173.021 0.04 1 235 122 60 LYS CA C 55.566 0.08 1 236 122 60 LYS CB C 32.008 0.08 1 237 122 60 LYS N N 120.415 0.05 1 238 123 61 ASP H H 7.202 0.005 1 239 123 61 ASP C C 172.962 0.04 1 240 123 61 ASP CA C 53.671 0.08 1 241 123 61 ASP CB C 42.832 0.08 1 242 123 61 ASP N N 121.737 0.05 1 243 124 62 ARG H H 9.057 0.005 1 244 124 62 ARG C C 174.641 0.04 1 245 124 62 ARG CA C 59.224 0.08 1 246 124 62 ARG CB C 30.090 0.08 1 247 124 62 ARG N N 126.614 0.05 1 248 125 63 TYR H H 9.364 0.005 1 249 125 63 TYR C C 175.065 0.04 1 250 125 63 TYR CA C 56.267 0.08 1 251 125 63 TYR CB C 39.058 0.08 1 252 125 63 TYR N N 119.223 0.05 1 253 126 64 LYS H H 8.409 0.005 1 254 126 64 LYS C C 175.857 0.04 1 255 126 64 LYS CA C 58.156 0.08 1 256 126 64 LYS CB C 31.383 0.08 1 257 126 64 LYS N N 120.842 0.05 1 258 127 65 THR H H 7.400 0.005 1 259 127 65 THR C C 173.073 0.04 1 260 127 65 THR CA C 60.646 0.08 1 261 127 65 THR CB C 68.378 0.08 1 262 127 65 THR N N 102.681 0.05 1 263 128 66 ILE H H 7.257 0.005 1 264 128 66 ILE C C 171.001 0.04 1 265 128 66 ILE CA C 61.094 0.08 1 266 128 66 ILE CB C 36.325 0.08 1 267 128 66 ILE N N 126.272 0.05 1 268 129 67 LEU H H 7.740 0.005 1 269 129 67 LEU CA C 51.017 0.08 1 270 129 67 LEU CB C 42.844 0.08 1 271 129 67 LEU N N 125.871 0.05 1 272 130 68 PRO C C 174.642 0.04 1 273 130 68 PRO CA C 61.840 0.08 1 274 130 68 PRO CB C 31.374 0.08 1 275 131 69 ASN H H 7.985 0.005 1 276 131 69 ASN CA C 52.761 0.08 1 277 131 69 ASN CB C 35.164 0.08 1 278 131 69 ASN N N 121.613 0.05 1 279 132 70 PRO C C 177.432 0.04 1 280 132 70 PRO CA C 65.760 0.08 1 281 132 70 PRO CB C 31.171 0.08 1 282 133 71 GLN H H 8.831 0.005 1 283 133 71 GLN C C 174.658 0.04 1 284 133 71 GLN CA C 58.355 0.08 1 285 133 71 GLN CB C 26.645 0.08 1 286 133 71 GLN N N 116.251 0.05 1 287 134 72 SER H H 7.264 0.005 1 288 134 72 SER C C 172.410 0.04 1 289 134 72 SER CA C 55.966 0.08 1 290 134 72 SER CB C 63.814 0.08 1 291 134 72 SER N N 108.721 0.05 1 292 135 73 ARG H H 7.077 0.005 1 293 135 73 ARG C C 172.924 0.04 1 294 135 73 ARG CA C 56.421 0.08 1 295 135 73 ARG CB C 30.003 0.08 1 296 135 73 ARG N N 125.003 0.05 1 297 136 74 VAL H H 6.924 0.005 1 298 136 74 VAL C C 173.271 0.04 1 299 136 74 VAL CA C 61.782 0.08 1 300 136 74 VAL CB C 30.588 0.08 1 301 136 74 VAL N N 123.407 0.05 1 302 137 75 CYS H H 8.639 0.005 1 303 137 75 CYS C C 173.923 0.04 1 304 137 75 CYS CA C 57.592 0.08 1 305 137 75 CYS CB C 28.276 0.08 1 306 137 75 CYS N N 127.615 0.05 1 307 138 76 LEU H H 9.180 0.005 1 308 138 76 LEU C C 175.252 0.04 1 309 138 76 LEU CA C 54.151 0.08 1 310 138 76 LEU CB C 39.336 0.08 1 311 138 76 LEU N N 127.285 0.05 1 312 139 77 GLY H H 9.329 0.005 1 313 139 77 GLY C C 174.534 0.04 1 314 139 77 GLY CA C 45.657 0.08 1 315 139 77 GLY N N 113.063 0.05 1 316 140 78 ARG H H 7.417 0.005 1 317 140 78 ARG C C 173.882 0.04 1 318 140 78 ARG CA C 58.003 0.08 1 319 140 78 ARG CB C 25.224 0.08 1 320 140 78 ARG N N 118.392 0.05 1 321 141 79 ALA H H 7.389 0.005 1 322 141 79 ALA C C 177.079 0.04 1 323 141 79 ALA CA C 54.333 0.08 1 324 141 79 ALA CB C 17.631 0.08 1 325 141 79 ALA N N 120.539 0.05 1 326 142 80 GLN H H 7.832 0.005 1 327 142 80 GLN C C 174.177 0.04 1 328 142 80 GLN CA C 56.989 0.08 1 329 142 80 GLN CB C 27.911 0.08 1 330 142 80 GLN N N 114.313 0.05 1 331 143 81 SER H H 7.901 0.005 1 332 143 81 SER C C 172.682 0.04 1 333 143 81 SER CA C 58.010 0.08 1 334 143 81 SER CB C 64.377 0.08 1 335 143 81 SER N N 114.284 0.05 1 336 144 82 GLN H H 8.253 0.005 1 337 144 82 GLN C C 175.185 0.04 1 338 144 82 GLN CA C 55.810 0.08 1 339 144 82 GLN CB C 27.154 0.08 1 340 144 82 GLN N N 118.136 0.05 1 341 145 83 GLU H H 7.812 0.005 1 342 145 83 GLU C C 174.587 0.04 1 343 145 83 GLU CA C 54.686 0.08 1 344 145 83 GLU CB C 30.040 0.08 1 345 145 83 GLU N N 116.899 0.05 1 346 146 84 ASP H H 7.683 0.005 1 347 146 84 ASP C C 175.869 0.04 1 348 146 84 ASP CA C 54.464 0.08 1 349 146 84 ASP CB C 41.778 0.08 1 350 146 84 ASP N N 121.271 0.05 1 351 147 85 GLY H H 8.209 0.005 1 352 147 85 GLY C C 172.084 0.04 1 353 147 85 GLY CA C 44.959 0.08 1 354 147 85 GLY N N 110.046 0.05 1 355 148 86 ASP H H 8.305 0.005 1 356 148 86 ASP C C 177.131 0.04 1 357 148 86 ASP CA C 52.464 0.08 1 358 148 86 ASP CB C 43.092 0.08 1 359 148 86 ASP N N 121.022 0.05 1 360 149 87 TYR H H 7.460 0.005 1 361 149 87 TYR C C 173.865 0.04 1 362 149 87 TYR CA C 60.610 0.08 1 363 149 87 TYR CB C 40.337 0.08 1 364 149 87 TYR N N 119.633 0.05 1 365 150 88 ILE H H 7.999 0.005 1 366 150 88 ILE C C 171.018 0.04 1 367 150 88 ILE CA C 59.444 0.08 1 368 150 88 ILE CB C 40.788 0.08 1 369 150 88 ILE N N 125.330 0.05 1 370 151 89 ASN H H 8.074 0.005 1 371 151 89 ASN C C 171.952 0.04 1 372 151 89 ASN CA C 52.519 0.08 1 373 151 89 ASN CB C 35.232 0.08 1 374 151 89 ASN N N 126.482 0.05 1 375 152 90 ALA H H 7.502 0.005 1 376 152 90 ALA C C 173.338 0.04 1 377 152 90 ALA CA C 51.186 0.08 1 378 152 90 ALA CB C 21.738 0.08 1 379 152 90 ALA N N 128.611 0.05 1 380 153 91 ASN H H 8.460 0.005 1 381 153 91 ASN C C 172.787 0.04 1 382 153 91 ASN CA C 53.731 0.08 1 383 153 91 ASN CB C 44.936 0.08 1 384 153 91 ASN N N 116.107 0.05 1 385 154 92 TYR H H 8.859 0.005 1 386 154 92 TYR C C 174.328 0.04 1 387 154 92 TYR CA C 58.306 0.08 1 388 154 92 TYR CB C 39.477 0.08 1 389 154 92 TYR N N 120.893 0.05 1 390 155 93 ILE H H 9.096 0.005 1 391 155 93 ILE C C 174.731 0.04 1 392 155 93 ILE CA C 57.217 0.08 1 393 155 93 ILE CB C 37.494 0.08 1 394 155 93 ILE N N 124.683 0.05 1 395 156 94 ARG H H 8.610 0.005 1 396 156 94 ARG C C 175.937 0.04 1 397 156 94 ARG CA C 55.883 0.08 1 398 156 94 ARG CB C 30.429 0.08 1 399 156 94 ARG N N 126.844 0.05 1 400 157 95 GLY H H 8.881 0.005 1 401 157 95 GLY CA C 42.805 0.08 1 402 157 95 GLY N N 104.876 0.05 1 403 158 96 TYR H H 7.181 0.005 1 404 158 96 TYR C C 174.672 0.04 1 405 158 96 TYR CA C 56.597 0.08 1 406 158 96 TYR N N 124.602 0.05 1 407 159 97 ASP H H 8.358 0.005 1 408 159 97 ASP C C 174.418 0.04 1 409 159 97 ASP CA C 54.029 0.08 1 410 159 97 ASP N N 122.056 0.05 1 411 160 98 GLY H H 7.929 0.005 1 412 160 98 GLY C C 172.339 0.04 1 413 160 98 GLY CA C 45.233 0.08 1 414 160 98 GLY N N 105.215 0.05 1 415 161 99 LYS H H 6.653 0.005 1 416 161 99 LYS C C 174.730 0.04 1 417 161 99 LYS CA C 56.851 0.08 1 418 161 99 LYS CB C 31.657 0.08 1 419 161 99 LYS N N 121.645 0.05 1 420 162 100 GLU H H 8.484 0.005 1 421 162 100 GLU C C 175.136 0.04 1 422 162 100 GLU CA C 57.166 0.08 1 423 162 100 GLU CB C 29.692 0.08 1 424 162 100 GLU N N 124.278 0.05 1 425 163 101 LYS H H 9.273 0.005 1 426 163 101 LYS C C 172.951 0.04 1 427 163 101 LYS CA C 57.443 0.08 1 428 163 101 LYS CB C 29.756 0.08 1 429 163 101 LYS N N 114.180 0.05 1 430 164 102 VAL H H 7.169 0.005 1 431 164 102 VAL C C 175.322 0.04 1 432 164 102 VAL CA C 64.696 0.08 1 433 164 102 VAL CB C 31.062 0.08 1 434 164 102 VAL N N 118.157 0.05 1 435 165 103 TYR H H 8.189 0.005 1 436 165 103 TYR C C 173.795 0.04 1 437 165 103 TYR CA C 53.574 0.08 1 438 165 103 TYR CB C 40.513 0.08 1 439 165 103 TYR N N 114.441 0.05 1 440 166 104 ILE H H 8.875 0.005 1 441 166 104 ILE C C 172.752 0.04 1 442 166 104 ILE CA C 60.717 0.08 1 443 166 104 ILE CB C 41.704 0.08 1 444 166 104 ILE N N 121.657 0.05 1 445 167 105 ALA H H 8.398 0.005 1 446 167 105 ALA C C 174.640 0.04 1 447 167 105 ALA CA C 49.392 0.08 1 448 167 105 ALA CB C 20.947 0.08 1 449 167 105 ALA N N 128.688 0.05 1 450 168 106 THR H H 8.310 0.005 1 451 168 106 THR C C 168.818 0.04 1 452 168 106 THR CA C 57.884 0.08 1 453 168 106 THR CB C 70.775 0.08 1 454 168 106 THR N N 115.632 0.05 1 455 169 107 GLN H H 6.577 0.005 1 456 169 107 GLN C C 174.376 0.04 1 457 169 107 GLN CA C 52.449 0.08 1 458 169 107 GLN CB C 27.798 0.08 1 459 169 107 GLN N N 117.633 0.05 1 460 170 108 GLY H H 8.628 0.005 1 461 170 108 GLY CA C 44.290 0.08 1 462 170 108 GLY N N 110.908 0.05 1 463 171 109 PRO C C 173.382 0.04 1 464 171 109 PRO CA C 63.571 0.08 1 465 171 109 PRO CB C 30.912 0.08 1 466 172 110 MET H H 8.068 0.005 1 467 172 110 MET CA C 53.573 0.08 1 468 172 110 MET CB C 33.670 0.08 1 469 172 110 MET N N 121.936 0.05 1 470 173 111 PRO C C 175.827 0.04 1 471 173 111 PRO CA C 66.239 0.08 1 472 173 111 PRO CB C 30.913 0.08 1 473 174 112 ASN H H 8.606 0.005 1 474 174 112 ASN C C 174.208 0.04 1 475 174 112 ASN CA C 53.442 0.08 1 476 174 112 ASN CB C 36.332 0.08 1 477 174 112 ASN N N 107.902 0.05 1 478 175 113 THR H H 8.255 0.005 1 479 175 113 THR C C 172.489 0.04 1 480 175 113 THR CA C 60.503 0.08 1 481 175 113 THR CB C 69.256 0.08 1 482 175 113 THR N N 111.022 0.05 1 483 176 114 VAL H H 7.106 0.005 1 484 176 114 VAL C C 175.619 0.04 1 485 176 114 VAL CA C 67.572 0.08 1 486 176 114 VAL CB C 31.454 0.08 1 487 176 114 VAL N N 123.952 0.05 1 488 177 115 SER H H 8.316 0.005 1 489 177 115 SER C C 175.355 0.04 1 490 177 115 SER CA C 62.884 0.08 1 491 177 115 SER CB C 61.726 0.08 1 492 177 115 SER N N 113.930 0.05 1 493 178 116 ASP H H 7.405 0.005 1 494 178 116 ASP C C 174.763 0.04 1 495 178 116 ASP CA C 57.167 0.08 1 496 178 116 ASP CB C 40.010 0.08 1 497 178 116 ASP N N 122.612 0.05 1 498 179 117 PHE H H 8.224 0.005 1 499 179 117 PHE C C 175.414 0.04 1 500 179 117 PHE CA C 61.890 0.08 1 501 179 117 PHE CB C 37.541 0.08 1 502 179 117 PHE N N 120.740 0.05 1 503 180 118 TRP H H 7.927 0.005 1 504 180 118 TRP C C 178.398 0.04 1 505 180 118 TRP CA C 59.776 0.08 1 506 180 118 TRP CB C 29.527 0.08 1 507 180 118 TRP N N 119.147 0.05 1 508 181 119 GLU H H 9.243 0.005 1 509 181 119 GLU C C 171.388 0.04 1 510 181 119 GLU CA C 59.025 0.08 1 511 181 119 GLU CB C 30.094 0.08 1 512 181 119 GLU N N 121.188 0.05 1 513 182 120 MET H H 9.117 0.005 1 514 182 120 MET C C 172.588 0.04 1 515 182 120 MET CA C 53.501 0.08 1 516 182 120 MET CB C 31.186 0.08 1 517 182 120 MET N N 128.611 0.05 1 518 183 121 VAL H H 8.305 0.005 1 519 183 121 VAL C C 167.922 0.04 1 520 183 121 VAL CA C 56.223 0.08 1 521 183 121 VAL CB C 38.350 0.08 1 522 183 121 VAL N N 127.340 0.05 1 523 184 122 TRP H H 6.075 0.005 1 524 184 122 TRP C C 175.544 0.04 1 525 184 122 TRP CA C 53.572 0.08 1 526 184 122 TRP CB C 28.986 0.08 1 527 184 122 TRP N N 118.525 0.05 1 528 185 123 GLN H H 9.104 0.005 1 529 185 123 GLN N N 115.652 0.05 1 530 188 126 VAL C C 174.435 0.04 1 531 188 126 VAL CA C 62.970 0.08 1 532 188 126 VAL CB C 32.162 0.08 1 533 189 127 SER H H 9.612 0.005 1 534 189 127 SER C C 172.085 0.04 1 535 189 127 SER CA C 58.306 0.08 1 536 189 127 SER CB C 65.320 0.08 1 537 189 127 SER N N 121.082 0.05 1 538 190 128 LEU H H 8.087 0.005 1 539 190 128 LEU CA C 54.632 0.08 1 540 190 128 LEU CB C 44.771 0.08 1 541 190 128 LEU N N 130.076 0.05 1 542 193 131 MET C C 173.786 0.04 1 543 193 131 MET CA C 53.879 0.08 1 544 193 131 MET CB C 32.709 0.08 1 545 194 132 LEU H H 8.050 0.005 1 546 194 132 LEU C C 173.695 0.04 1 547 194 132 LEU CA C 54.069 0.08 1 548 194 132 LEU CB C 42.104 0.08 1 549 194 132 LEU N N 124.788 0.05 1 550 195 133 THR H H 7.263 0.005 1 551 195 133 THR C C 169.890 0.04 1 552 195 133 THR CA C 59.711 0.08 1 553 195 133 THR CB C 70.606 0.08 1 554 195 133 THR N N 113.135 0.05 1 555 196 134 GLN H H 8.472 0.005 1 556 196 134 GLN C C 175.861 0.04 1 557 196 134 GLN CA C 54.700 0.08 1 558 196 134 GLN CB C 30.622 0.08 1 559 196 134 GLN N N 118.042 0.05 1 560 197 135 LEU H H 8.684 0.005 1 561 197 135 LEU C C 176.874 0.04 1 562 197 135 LEU CA C 57.193 0.08 1 563 197 135 LEU CB C 40.209 0.08 1 564 197 135 LEU N N 123.814 0.05 1 565 198 136 ARG H H 7.793 0.005 1 566 198 136 ARG C C 175.035 0.04 1 567 198 136 ARG CA C 57.255 0.08 1 568 198 136 ARG CB C 39.941 0.08 1 569 198 136 ARG N N 118.306 0.05 1 570 199 137 GLU H H 7.980 0.005 1 571 199 137 GLU C C 175.012 0.04 1 572 199 137 GLU CA C 54.377 0.08 1 573 199 137 GLU CB C 40.754 0.08 1 574 199 137 GLU N N 120.575 0.05 1 575 200 138 GLY H H 8.084 0.005 1 576 200 138 GLY C C 171.978 0.04 1 577 200 138 GLY CA C 45.133 0.08 1 578 200 138 GLY N N 108.915 0.05 1 579 201 139 LYS H H 8.082 0.005 1 580 201 139 LYS C C 175.540 0.04 1 581 201 139 LYS CA C 62.640 0.08 1 582 201 139 LYS N N 120.716 0.05 1 583 202 140 GLU H H 8.540 0.005 1 584 202 140 GLU CB C 34.799 0.08 1 585 202 140 GLU N N 122.239 0.05 1 586 203 141 LYS C C 173.945 0.04 1 587 203 141 LYS CA C 56.225 0.08 1 588 204 142 CYS H H 7.776 0.005 1 589 204 142 CYS C C 171.992 0.04 1 590 204 142 CYS CA C 53.601 0.08 1 591 204 142 CYS CB C 44.144 0.08 1 592 204 142 CYS N N 115.965 0.05 1 593 205 143 VAL H H 8.302 0.005 1 594 205 143 VAL C C 172.155 0.04 1 595 205 143 VAL CA C 55.172 0.08 1 596 205 143 VAL CB C 35.489 0.08 1 597 205 143 VAL N N 121.410 0.05 1 598 206 144 HIS H H 9.181 0.005 1 599 206 144 HIS C C 172.787 0.04 1 600 206 144 HIS CA C 54.956 0.08 1 601 206 144 HIS CB C 34.986 0.08 1 602 206 144 HIS N N 126.444 0.05 1 603 207 145 TYR H H 6.170 0.005 1 604 207 145 TYR C C 172.399 0.04 1 605 207 145 TYR CA C 56.177 0.08 1 606 207 145 TYR CB C 38.335 0.08 1 607 207 145 TYR N N 120.897 0.05 1 608 208 146 TRP H H 8.635 0.005 1 609 208 146 TRP CA C 57.464 0.08 1 610 208 146 TRP CB C 24.743 0.08 1 611 208 146 TRP N N 124.458 0.05 1 612 209 147 PRO C C 174.974 0.04 1 613 209 147 PRO CA C 61.916 0.08 1 614 209 147 PRO CB C 32.078 0.08 1 615 210 148 THR H H 8.228 0.005 1 616 210 148 THR C C 173.928 0.04 1 617 210 148 THR CA C 64.719 0.08 1 618 210 148 THR CB C 68.071 0.08 1 619 210 148 THR N N 113.285 0.05 1 620 211 149 GLU H H 7.992 0.005 1 621 211 149 GLU C C 171.738 0.04 1 622 211 149 GLU CA C 58.721 0.08 1 623 211 149 GLU CB C 31.002 0.08 1 624 211 149 GLU N N 121.345 0.05 1 625 212 150 GLU H H 7.928 0.005 1 626 212 150 GLU C C 172.706 0.04 1 627 212 150 GLU CA C 55.011 0.08 1 628 212 150 GLU CB C 31.335 0.08 1 629 212 150 GLU N N 119.286 0.05 1 630 213 151 GLU H H 8.691 0.005 1 631 213 151 GLU C C 175.862 0.04 1 632 213 151 GLU CA C 54.897 0.08 1 633 213 151 GLU CB C 33.246 0.08 1 634 213 151 GLU N N 123.939 0.05 1 635 214 152 THR H H 8.497 0.005 1 636 214 152 THR C C 172.122 0.04 1 637 214 152 THR CA C 60.949 0.08 1 638 214 152 THR CB C 69.769 0.08 1 639 214 152 THR N N 118.914 0.05 1 640 215 153 TYR H H 8.882 0.005 1 641 215 153 TYR C C 173.997 0.04 1 642 215 153 TYR CA C 55.457 0.08 1 643 215 153 TYR CB C 39.231 0.08 1 644 215 153 TYR N N 126.779 0.05 1 645 216 154 GLY H H 8.857 0.005 1 646 216 154 GLY CA C 44.399 0.08 1 647 216 154 GLY N N 115.714 0.05 1 648 217 155 PRO C C 176.966 0.04 1 649 217 155 PRO CA C 65.525 0.08 1 650 217 155 PRO CB C 31.770 0.08 1 651 218 156 PHE H H 7.280 0.005 1 652 218 156 PHE C C 173.247 0.04 1 653 218 156 PHE CA C 57.126 0.08 1 654 218 156 PHE CB C 40.434 0.08 1 655 218 156 PHE N N 117.731 0.05 1 656 219 157 GLN H H 8.539 0.005 1 657 219 157 GLN C C 173.982 0.04 1 658 219 157 GLN CA C 54.943 0.08 1 659 219 157 GLN CB C 30.203 0.08 1 660 219 157 GLN N N 122.177 0.05 1 661 220 158 ILE H H 9.005 0.005 1 662 220 158 ILE C C 172.282 0.04 1 663 220 158 ILE CA C 59.443 0.08 1 664 220 158 ILE CB C 38.416 0.08 1 665 220 158 ILE N N 127.461 0.05 1 666 221 159 ARG H H 8.566 0.005 1 667 221 159 ARG C C 173.861 0.04 1 668 221 159 ARG CA C 53.502 0.08 1 669 221 159 ARG CB C 33.856 0.08 1 670 221 159 ARG N N 125.309 0.05 1 671 222 160 ILE H H 8.221 0.005 1 672 222 160 ILE C C 173.688 0.04 1 673 222 160 ILE CA C 59.425 0.08 1 674 222 160 ILE CB C 36.653 0.08 1 675 222 160 ILE N N 122.230 0.05 1 676 223 161 GLN H H 9.375 0.005 1 677 223 161 GLN C C 174.670 0.04 1 678 223 161 GLN CA C 56.177 0.08 1 679 223 161 GLN CB C 29.481 0.08 1 680 223 161 GLN N N 128.006 0.05 1 681 224 162 ASP H H 8.357 0.005 1 682 224 162 ASP C C 172.459 0.04 1 683 224 162 ASP CA C 59.717 0.08 1 684 224 162 ASP N N 122.544 0.05 1 685 225 163 MET H H 8.489 0.005 1 686 225 163 MET C C 170.593 0.04 1 687 225 163 MET CA C 54.639 0.08 1 688 225 163 MET CB C 34.238 0.08 1 689 225 163 MET N N 119.861 0.05 1 690 226 164 LYS H H 6.597 0.005 1 691 226 164 LYS C C 174.530 0.04 1 692 226 164 LYS CA C 56.753 0.08 1 693 226 164 LYS CB C 29.047 0.08 1 694 226 164 LYS N N 118.278 0.05 1 695 227 165 GLU H H 7.914 0.005 1 696 227 165 GLU C C 174.671 0.04 1 697 227 165 GLU CA C 56.665 0.08 1 698 227 165 GLU CB C 29.622 0.08 1 699 227 165 GLU N N 121.425 0.05 1 700 228 166 CYS H H 8.358 0.005 1 701 228 166 CYS CA C 53.796 0.08 1 702 228 166 CYS CB C 29.194 0.08 1 703 228 166 CYS N N 123.018 0.05 1 704 229 167 PRO C C 176.484 0.04 1 705 229 167 PRO CA C 65.864 0.08 1 706 229 167 PRO CB C 30.978 0.08 1 707 230 168 GLU H H 7.901 0.005 1 708 230 168 GLU C C 173.354 0.04 1 709 230 168 GLU CA C 56.516 0.08 1 710 230 168 GLU CB C 29.985 0.08 1 711 230 168 GLU N N 111.602 0.05 1 712 231 169 TYR H H 6.748 0.005 1 713 231 169 TYR C C 172.021 0.04 1 714 231 169 TYR CA C 55.837 0.08 1 715 231 169 TYR CB C 39.697 0.08 1 716 231 169 TYR N N 112.114 0.05 1 717 232 170 THR H H 8.731 0.005 1 718 232 170 THR C C 173.120 0.04 1 719 232 170 THR CA C 61.414 0.08 1 720 232 170 THR CB C 70.929 0.08 1 721 232 170 THR N N 115.739 0.05 1 722 233 171 VAL H H 7.872 0.005 1 723 233 171 VAL C C 176.362 0.04 1 724 233 171 VAL CA C 59.615 0.08 1 725 233 171 VAL CB C 29.087 0.08 1 726 233 171 VAL N N 118.361 0.05 1 727 234 172 ARG H H 8.622 0.005 1 728 234 172 ARG C C 171.335 0.04 1 729 234 172 ARG CA C 59.696 0.08 1 730 234 172 ARG CB C 28.299 0.08 1 731 234 172 ARG N N 120.570 0.05 1 732 235 173 GLN H H 7.540 0.005 1 733 235 173 GLN CA C 60.642 0.08 1 734 235 173 GLN CB C 32.272 0.08 1 735 235 173 GLN N N 121.474 0.05 1 736 241 179 GLN C C 174.662 0.04 1 737 241 179 GLN CA C 57.689 0.08 1 738 242 180 GLU H H 8.368 0.005 1 739 242 180 GLU C C 174.259 0.04 1 740 242 180 GLU CA C 56.410 0.08 1 741 242 180 GLU CB C 28.758 0.08 1 742 242 180 GLU N N 120.562 0.05 1 743 243 181 GLU H H 8.396 0.005 1 744 243 181 GLU C C 172.911 0.04 1 745 243 181 GLU CA C 56.112 0.08 1 746 243 181 GLU CB C 31.182 0.08 1 747 243 181 GLU N N 123.872 0.05 1 748 244 182 ARG H H 8.590 0.005 1 749 244 182 ARG C C 174.172 0.04 1 750 244 182 ARG CA C 54.641 0.08 1 751 244 182 ARG CB C 32.733 0.08 1 752 244 182 ARG N N 124.517 0.05 1 753 245 183 ARG H H 9.287 0.005 1 754 245 183 ARG C C 173.529 0.04 1 755 245 183 ARG CA C 54.256 0.08 1 756 245 183 ARG CB C 34.114 0.08 1 757 245 183 ARG N N 123.507 0.05 1 758 246 184 SER H H 8.529 0.005 1 759 246 184 SER C C 172.737 0.04 1 760 246 184 SER CA C 57.452 0.08 1 761 246 184 SER CB C 64.207 0.08 1 762 246 184 SER N N 116.905 0.05 1 763 247 185 VAL H H 8.917 0.005 1 764 247 185 VAL C C 175.524 0.04 1 765 247 185 VAL CA C 62.703 0.08 1 766 247 185 VAL CB C 31.290 0.08 1 767 247 185 VAL N N 125.809 0.05 1 768 248 186 LYS H H 8.584 0.005 1 769 248 186 LYS C C 173.571 0.04 1 770 248 186 LYS CA C 56.633 0.08 1 771 248 186 LYS CB C 29.470 0.08 1 772 248 186 LYS N N 122.934 0.05 1 773 249 187 HIS H H 7.816 0.005 1 774 249 187 HIS CA C 53.293 0.08 1 775 249 187 HIS CB C 31.148 0.08 1 776 249 187 HIS N N 120.787 0.05 1 777 250 188 ILE C C 174.467 0.04 1 778 250 188 ILE CA C 62.555 0.08 1 779 250 188 ILE CB C 31.540 0.08 1 780 251 189 LEU H H 8.297 0.005 1 781 251 189 LEU C C 173.497 0.04 1 782 251 189 LEU CA C 62.414 0.08 1 783 251 189 LEU CB C 40.480 0.08 1 784 251 189 LEU N N 120.333 0.05 1 785 252 190 PHE H H 7.702 0.005 1 786 252 190 PHE C C 172.632 0.04 1 787 252 190 PHE CA C 56.776 0.08 1 788 252 190 PHE CB C 40.486 0.08 1 789 252 190 PHE N N 118.483 0.05 1 790 253 191 SER H H 8.257 0.005 1 791 253 191 SER C C 172.323 0.04 1 792 253 191 SER CA C 57.727 0.08 1 793 253 191 SER CB C 63.646 0.08 1 794 253 191 SER N N 122.170 0.05 1 795 254 192 ALA H H 5.452 0.005 1 796 254 192 ALA C C 173.857 0.04 1 797 254 192 ALA CA C 50.609 0.08 1 798 254 192 ALA CB C 18.872 0.08 1 799 254 192 ALA N N 121.315 0.05 1 800 255 193 TRP H H 8.071 0.005 1 801 255 193 TRP CA C 55.653 0.08 1 802 255 193 TRP CB C 28.413 0.08 1 803 255 193 TRP N N 124.677 0.05 1 804 256 194 PRO C C 171.007 0.04 1 805 256 194 PRO CA C 60.735 0.08 1 806 256 194 PRO CB C 33.765 0.08 1 807 257 195 ASP H H 8.606 0.005 1 808 257 195 ASP C C 173.054 0.04 1 809 257 195 ASP CA C 55.104 0.08 1 810 257 195 ASP CB C 34.953 0.08 1 811 257 195 ASP N N 129.936 0.05 1 812 258 196 HIS H H 9.018 0.005 1 813 258 196 HIS C C 173.785 0.04 1 814 258 196 HIS CA C 55.937 0.08 1 815 258 196 HIS CB C 30.510 0.08 1 816 258 196 HIS N N 127.218 0.05 1 817 259 197 GLN H H 8.174 0.005 1 818 259 197 GLN C C 173.141 0.04 1 819 259 197 GLN CA C 55.806 0.08 1 820 259 197 GLN CB C 27.624 0.08 1 821 259 197 GLN N N 124.124 0.05 1 822 260 198 THR H H 7.632 0.005 1 823 260 198 THR CA C 58.894 0.08 1 824 260 198 THR CB C 68.684 0.08 1 825 260 198 THR N N 115.135 0.05 1 826 261 199 PRO C C 176.579 0.04 1 827 261 199 PRO CA C 65.355 0.08 1 828 262 200 GLU H H 8.441 0.005 1 829 262 200 GLU C C 176.427 0.04 1 830 262 200 GLU CA C 58.148 0.08 1 831 262 200 GLU CB C 28.114 0.08 1 832 262 200 GLU N N 115.763 0.05 1 833 263 201 SER H H 7.896 0.005 1 834 263 201 SER CA C 58.992 0.08 1 835 263 201 SER CB C 63.747 0.08 1 836 263 201 SER N N 115.882 0.05 1 837 264 202 ALA C C 176.476 0.04 1 838 264 202 ALA CA C 53.495 0.08 1 839 264 202 ALA CB C 20.126 0.08 1 840 265 203 GLY H H 8.037 0.005 1 841 265 203 GLY CA C 48.105 0.08 1 842 265 203 GLY N N 105.324 0.05 1 843 267 205 LEU C C 173.424 0.04 1 844 267 205 LEU CA C 53.247 0.08 1 845 267 205 LEU CB C 39.045 0.08 1 846 268 206 LEU H H 7.488 0.005 1 847 268 206 LEU C C 179.145 0.04 1 848 268 206 LEU CA C 57.480 0.08 1 849 268 206 LEU CB C 39.639 0.08 1 850 268 206 LEU N N 120.281 0.05 1 851 269 207 ARG H H 8.084 0.005 1 852 269 207 ARG C C 177.396 0.04 1 853 269 207 ARG CA C 59.488 0.08 1 854 269 207 ARG CB C 29.373 0.08 1 855 269 207 ARG N N 121.182 0.05 1 856 270 208 LEU H H 7.933 0.005 1 857 270 208 LEU C C 176.542 0.04 1 858 270 208 LEU CA C 57.524 0.08 1 859 270 208 LEU CB C 39.505 0.08 1 860 270 208 LEU N N 123.439 0.05 1 861 271 209 VAL H H 8.026 0.005 1 862 271 209 VAL C C 176.131 0.04 1 863 271 209 VAL CA C 67.122 0.08 1 864 271 209 VAL CB C 30.318 0.08 1 865 271 209 VAL N N 118.746 0.05 1 866 272 210 ALA H H 7.788 0.005 1 867 272 210 ALA C C 177.862 0.04 1 868 272 210 ALA CA C 54.871 0.08 1 869 272 210 ALA CB C 17.214 0.08 1 870 272 210 ALA N N 121.364 0.05 1 871 273 211 GLU H H 7.713 0.005 1 872 273 211 GLU C C 177.453 0.04 1 873 273 211 GLU CA C 57.991 0.08 1 874 273 211 GLU CB C 28.002 0.08 1 875 273 211 GLU N N 119.757 0.05 1 876 274 212 VAL H H 7.624 0.005 1 877 274 212 VAL C C 175.829 0.04 1 878 274 212 VAL CA C 64.975 0.08 1 879 274 212 VAL CB C 30.491 0.08 1 880 274 212 VAL N N 117.692 0.05 1 881 275 213 GLU H H 8.144 0.005 1 882 275 213 GLU C C 176.063 0.04 1 883 275 213 GLU CA C 57.586 0.08 1 884 275 213 GLU CB C 29.148 0.08 1 885 275 213 GLU N N 120.743 0.05 1 886 276 214 GLU H H 7.845 0.005 1 887 276 214 GLU C C 174.939 0.04 1 888 276 214 GLU CA C 55.733 0.08 1 889 276 214 GLU CB C 28.940 0.08 1 890 276 214 GLU N N 118.088 0.05 1 891 277 215 SER H H 7.628 0.005 1 892 277 215 SER CA C 56.984 0.08 1 893 277 215 SER CB C 63.119 0.08 1 894 277 215 SER N N 118.487 0.05 1 895 278 216 PRO C C 176.230 0.04 1 896 278 216 PRO CA C 63.883 0.08 1 897 278 216 PRO CB C 31.185 0.08 1 898 279 217 GLU H H 8.867 0.005 1 899 279 217 GLU C C 175.871 0.04 1 900 279 217 GLU CA C 58.083 0.08 1 901 279 217 GLU CB C 28.863 0.08 1 902 279 217 GLU N N 119.433 0.05 1 903 280 218 THR H H 7.714 0.005 1 904 280 218 THR C C 173.263 0.04 1 905 280 218 THR CA C 62.142 0.08 1 906 280 218 THR CB C 68.809 0.08 1 907 280 218 THR N N 113.012 0.05 1 908 281 219 ALA H H 7.718 0.005 1 909 281 219 ALA C C 176.142 0.04 1 910 281 219 ALA CA C 52.507 0.08 1 911 281 219 ALA CB C 18.603 0.08 1 912 281 219 ALA N N 124.760 0.05 1 913 282 220 ALA H H 7.880 0.005 1 914 282 220 ALA C C 177.368 0.04 1 915 282 220 ALA CA C 52.795 0.08 1 916 282 220 ALA CB C 18.509 0.08 1 917 282 220 ALA N N 121.113 0.05 1 918 283 221 HIS H H 7.858 0.005 1 919 283 221 HIS CB C 29.366 0.08 1 920 283 221 HIS N N 117.556 0.05 1 921 284 222 PRO C C 175.637 0.04 1 922 284 222 PRO CA C 63.171 0.08 1 923 284 222 PRO CB C 31.265 0.08 1 924 285 223 GLY H H 8.018 0.005 1 925 285 223 GLY CA C 44.005 0.08 1 926 285 223 GLY N N 110.034 0.05 1 927 286 224 PRO C C 177.688 0.04 1 928 286 224 PRO CA C 65.952 0.08 1 929 286 224 PRO CB C 31.043 0.08 1 930 287 225 ILE H H 7.915 0.005 1 931 287 225 ILE C C 177.413 0.04 1 932 287 225 ILE CA C 58.385 0.08 1 933 287 225 ILE CB C 31.446 0.08 1 934 287 225 ILE N N 117.140 0.05 1 935 288 226 VAL H H 7.591 0.005 1 936 288 226 VAL C C 173.850 0.04 1 937 288 226 VAL CA C 58.540 0.08 1 938 288 226 VAL CB C 27.725 0.08 1 939 288 226 VAL N N 120.086 0.05 1 940 289 227 VAL H H 8.269 0.005 1 941 289 227 VAL C C 172.919 0.04 1 942 289 227 VAL CA C 54.483 0.08 1 943 289 227 VAL CB C 32.153 0.08 1 944 289 227 VAL N N 119.721 0.05 1 945 290 228 HIS H H 8.628 0.005 1 946 290 228 HIS C C 173.297 0.04 1 947 290 228 HIS CA C 54.501 0.08 1 948 290 228 HIS CB C 28.425 0.08 1 949 290 228 HIS N N 122.948 0.05 1 950 291 229 CYS H H 7.450 0.005 1 951 291 229 CYS C C 173.262 0.04 1 952 291 229 CYS CA C 56.845 0.08 1 953 291 229 CYS CB C 25.976 0.08 1 954 291 229 CYS N N 115.721 0.05 1 955 292 230 SER H H 7.468 0.005 1 956 292 230 SER CB C 69.178 0.08 1 957 292 230 SER N N 119.561 0.05 1 958 293 231 ALA HB H 0.851 0.005 1 959 293 231 ALA C C 175.691 0.04 1 960 293 231 ALA CA C 51.364 0.08 1 961 294 232 GLY H H 8.715 0.005 1 962 294 232 GLY C C 172.792 0.04 1 963 294 232 GLY CA C 47.087 0.08 1 964 294 232 GLY N N 111.188 0.05 1 965 295 233 ILE H H 7.108 0.005 1 966 295 233 ILE CA C 61.234 0.08 1 967 295 233 ILE CB C 40.650 0.08 1 968 295 233 ILE N N 106.138 0.05 1 969 298 236 THR C C 174.552 0.04 1 970 298 236 THR CA C 67.442 0.08 1 971 299 237 GLY H H 6.236 0.005 1 972 299 237 GLY C C 173.002 0.04 1 973 299 237 GLY CA C 47.928 0.08 1 974 299 237 GLY N N 105.608 0.05 1 975 300 238 CYS H H 8.332 0.005 1 976 300 238 CYS C C 176.020 0.04 1 977 300 238 CYS CA C 63.680 0.08 1 978 300 238 CYS CB C 27.314 0.08 1 979 300 238 CYS N N 119.777 0.05 1 980 301 239 PHE H H 8.801 0.005 1 981 301 239 PHE C C 173.295 0.04 1 982 301 239 PHE CA C 62.328 0.08 1 983 301 239 PHE CB C 39.417 0.08 1 984 301 239 PHE N N 121.649 0.05 1 985 302 240 ILE H H 7.733 0.005 1 986 302 240 ILE C C 175.063 0.04 1 987 302 240 ILE CA C 65.830 0.08 1 988 302 240 ILE CB C 36.980 0.08 1 989 302 240 ILE N N 118.802 0.05 1 990 303 241 ALA H H 8.443 0.005 1 991 303 241 ALA C C 177.650 0.04 1 992 303 241 ALA CA C 54.630 0.08 1 993 303 241 ALA CB C 18.874 0.08 1 994 303 241 ALA N N 117.642 0.05 1 995 304 242 THR H H 7.463 0.005 1 996 304 242 THR C C 173.560 0.04 1 997 304 242 THR CA C 67.160 0.08 1 998 304 242 THR CB C 68.384 0.08 1 999 304 242 THR N N 113.937 0.05 1 1000 305 243 ARG H H 7.567 0.005 1 1001 305 243 ARG C C 176.548 0.04 1 1002 305 243 ARG CA C 61.239 0.08 1 1003 305 243 ARG CB C 27.703 0.08 1 1004 305 243 ARG N N 123.170 0.05 1 1005 306 244 ILE H H 8.178 0.005 1 1006 306 244 ILE C C 177.152 0.04 1 1007 306 244 ILE CA C 64.904 0.08 1 1008 306 244 ILE CB C 37.851 0.08 1 1009 306 244 ILE N N 118.061 0.05 1 1010 307 245 GLY H H 8.598 0.005 1 1011 307 245 GLY C C 174.025 0.04 1 1012 307 245 GLY CA C 47.630 0.08 1 1013 307 245 GLY N N 108.957 0.05 1 1014 308 246 CYS H H 8.438 0.005 1 1015 308 246 CYS C C 175.272 0.04 1 1016 308 246 CYS CA C 63.482 0.08 1 1017 308 246 CYS CB C 26.215 0.08 1 1018 308 246 CYS N N 122.310 0.05 1 1019 309 247 GLN H H 7.632 0.005 1 1020 309 247 GLN C C 178.128 0.04 1 1021 309 247 GLN CA C 58.873 0.08 1 1022 309 247 GLN CB C 28.043 0.08 1 1023 309 247 GLN N N 119.584 0.05 1 1024 310 248 GLN H H 8.374 0.005 1 1025 310 248 GLN C C 176.707 0.04 1 1026 310 248 GLN CA C 60.368 0.08 1 1027 310 248 GLN CB C 27.223 0.08 1 1028 310 248 GLN N N 119.927 0.05 1 1029 311 249 LEU H H 8.352 0.005 1 1030 311 249 LEU C C 178.412 0.04 1 1031 311 249 LEU CA C 58.293 0.08 1 1032 311 249 LEU CB C 41.752 0.08 1 1033 311 249 LEU N N 119.715 0.05 1 1034 312 250 LYS H H 8.447 0.005 1 1035 312 250 LYS C C 175.860 0.04 1 1036 312 250 LYS CA C 59.242 0.08 1 1037 312 250 LYS CB C 31.758 0.08 1 1038 312 250 LYS N N 119.549 0.05 1 1039 313 251 ALA H H 7.712 0.005 1 1040 313 251 ALA C C 178.584 0.04 1 1041 313 251 ALA CA C 54.279 0.08 1 1042 313 251 ALA CB C 19.615 0.08 1 1043 313 251 ALA N N 118.056 0.05 1 1044 314 252 ARG H H 8.628 0.005 1 1045 314 252 ARG C C 175.943 0.04 1 1046 314 252 ARG CA C 55.620 0.08 1 1047 314 252 ARG CB C 32.184 0.08 1 1048 314 252 ARG N N 112.783 0.05 1 1049 315 253 GLY H H 8.106 0.005 1 1050 315 253 GLY C C 171.194 0.04 1 1051 315 253 GLY CA C 46.124 0.08 1 1052 315 253 GLY N N 108.639 0.05 1 1053 316 254 GLU H H 7.395 0.005 1 1054 316 254 GLU C C 170.486 0.04 1 1055 316 254 GLU CA C 53.896 0.08 1 1056 316 254 GLU CB C 32.714 0.08 1 1057 316 254 GLU N N 117.327 0.05 1 1058 317 255 VAL H H 8.994 0.005 1 1059 317 255 VAL C C 169.841 0.04 1 1060 317 255 VAL CA C 58.049 0.08 1 1061 317 255 VAL CB C 34.299 0.08 1 1062 317 255 VAL N N 118.799 0.05 1 1063 318 256 ASP H H 8.231 0.005 1 1064 318 256 ASP C C 174.723 0.04 1 1065 318 256 ASP CA C 51.040 0.08 1 1066 318 256 ASP CB C 39.906 0.08 1 1067 318 256 ASP N N 128.418 0.05 1 1068 319 257 ILE H H 7.829 0.005 1 1069 319 257 ILE C C 175.742 0.04 1 1070 319 257 ILE CA C 66.024 0.08 1 1071 319 257 ILE CB C 35.906 0.08 1 1072 319 257 ILE N N 126.151 0.05 1 1073 320 258 LEU H H 9.268 0.005 1 1074 320 258 LEU C C 177.606 0.04 1 1075 320 258 LEU CA C 58.379 0.08 1 1076 320 258 LEU CB C 40.468 0.08 1 1077 320 258 LEU N N 124.080 0.05 1 1078 321 259 GLY H H 8.402 0.005 1 1079 321 259 GLY C C 174.939 0.04 1 1080 321 259 GLY CA C 46.972 0.08 1 1081 321 259 GLY N N 106.968 0.05 1 1082 322 260 ILE H H 8.328 0.005 1 1083 322 260 ILE C C 176.715 0.04 1 1084 322 260 ILE CA C 65.500 0.08 1 1085 322 260 ILE CB C 37.580 0.08 1 1086 322 260 ILE N N 123.855 0.05 1 1087 323 261 VAL H H 8.550 0.005 1 1088 323 261 VAL C C 176.101 0.04 1 1089 323 261 VAL CA C 67.685 0.08 1 1090 323 261 VAL CB C 30.508 0.08 1 1091 323 261 VAL N N 120.258 0.05 1 1092 324 262 CYS H H 8.432 0.005 1 1093 324 262 CYS C C 174.872 0.04 1 1094 324 262 CYS CA C 64.717 0.08 1 1095 324 262 CYS CB C 26.752 0.08 1 1096 324 262 CYS N N 118.160 0.05 1 1097 325 263 GLN H H 8.013 0.005 1 1098 325 263 GLN C C 177.450 0.04 1 1099 325 263 GLN CA C 58.502 0.08 1 1100 325 263 GLN CB C 27.182 0.08 1 1101 325 263 GLN N N 117.340 0.05 1 1102 326 264 LEU H H 8.287 0.005 1 1103 326 264 LEU C C 177.892 0.04 1 1104 326 264 LEU CA C 58.056 0.08 1 1105 326 264 LEU CB C 40.531 0.08 1 1106 326 264 LEU N N 119.074 0.05 1 1107 327 265 ARG H H 7.922 0.005 1 1108 327 265 ARG C C 177.377 0.04 1 1109 327 265 ARG CA C 57.875 0.08 1 1110 327 265 ARG CB C 29.654 0.08 1 1111 327 265 ARG N N 116.440 0.05 1 1112 328 266 LEU H H 7.332 0.005 1 1113 328 266 LEU C C 176.269 0.04 1 1114 328 266 LEU CA C 56.970 0.08 1 1115 328 266 LEU CB C 40.877 0.08 1 1116 328 266 LEU N N 118.302 0.05 1 1117 329 267 ASP H H 7.113 0.005 1 1118 329 267 ASP C C 174.571 0.04 1 1119 329 267 ASP CA C 56.892 0.08 1 1120 329 267 ASP CB C 42.395 0.08 1 1121 329 267 ASP N N 120.164 0.05 1 1122 330 268 ARG H H 8.524 0.005 1 1123 330 268 ARG C C 171.634 0.04 1 1124 330 268 ARG CA C 56.595 0.08 1 1125 330 268 ARG CB C 31.436 0.08 1 1126 330 268 ARG N N 122.028 0.05 1 1127 331 269 GLY H H 9.008 0.005 1 1128 331 269 GLY C C 172.822 0.04 1 1129 331 269 GLY CA C 46.558 0.08 1 1130 331 269 GLY N N 113.589 0.05 1 1131 332 270 GLY H H 7.931 0.005 1 1132 332 270 GLY C C 172.355 0.04 1 1133 332 270 GLY CA C 44.885 0.08 1 1134 332 270 GLY N N 103.641 0.05 1 1135 333 271 MET H H 6.495 0.005 1 1136 333 271 MET C C 176.707 0.04 1 1137 333 271 MET CA C 57.151 0.08 1 1138 333 271 MET CB C 34.005 0.08 1 1139 333 271 MET N N 115.401 0.05 1 1140 334 272 ILE H H 8.556 0.005 1 1141 334 272 ILE C C 171.428 0.04 1 1142 334 272 ILE CA C 64.471 0.08 1 1143 334 272 ILE CB C 31.733 0.08 1 1144 334 272 ILE N N 115.525 0.05 1 1145 335 273 GLN H H 8.163 0.005 1 1146 335 273 GLN C C 175.955 0.04 1 1147 335 273 GLN CA C 58.242 0.08 1 1148 335 273 GLN CB C 31.572 0.08 1 1149 335 273 GLN N N 122.453 0.05 1 1150 336 274 THR H H 7.114 0.005 1 1151 336 274 THR C C 172.206 0.04 1 1152 336 274 THR CA C 58.009 0.08 1 1153 336 274 THR CB C 72.297 0.08 1 1154 336 274 THR N N 105.407 0.05 1 1155 337 275 ALA H H 8.846 0.005 1 1156 337 275 ALA C C 178.129 0.04 1 1157 337 275 ALA CA C 53.661 0.08 1 1158 337 275 ALA CB C 16.632 0.08 1 1159 337 275 ALA N N 124.873 0.05 1 1160 338 276 GLU H H 8.312 0.005 1 1161 338 276 GLU C C 178.483 0.04 1 1162 338 276 GLU CA C 59.621 0.08 1 1163 338 276 GLU CB C 28.305 0.08 1 1164 338 276 GLU N N 118.987 0.05 1 1165 339 277 GLN H H 7.764 0.005 1 1166 339 277 GLN C C 176.107 0.04 1 1167 339 277 GLN CA C 58.670 0.08 1 1168 339 277 GLN CB C 27.949 0.08 1 1169 339 277 GLN N N 121.789 0.05 1 1170 340 278 TYR H H 7.555 0.005 1 1171 340 278 TYR C C 178.020 0.04 1 1172 340 278 TYR CA C 61.713 0.08 1 1173 340 278 TYR CB C 38.830 0.08 1 1174 340 278 TYR N N 121.759 0.05 1 1175 341 279 GLN H H 8.722 0.005 1 1176 341 279 GLN C C 176.706 0.04 1 1177 341 279 GLN CA C 58.874 0.08 1 1178 341 279 GLN CB C 27.205 0.08 1 1179 341 279 GLN N N 120.678 0.05 1 1180 342 280 PHE H H 8.567 0.005 1 1181 342 280 PHE C C 177.027 0.04 1 1182 342 280 PHE CA C 59.890 0.08 1 1183 342 280 PHE CB C 38.308 0.08 1 1184 342 280 PHE N N 123.831 0.05 1 1185 343 281 LEU H H 8.235 0.005 1 1186 343 281 LEU C C 176.815 0.04 1 1187 343 281 LEU CA C 57.507 0.08 1 1188 343 281 LEU CB C 41.380 0.08 1 1189 343 281 LEU N N 121.975 0.05 1 1190 344 282 HIS H H 7.025 0.005 1 1191 344 282 HIS C C 175.901 0.04 1 1192 344 282 HIS CA C 61.499 0.08 1 1193 344 282 HIS CB C 27.030 0.08 1 1194 344 282 HIS N N 116.019 0.05 1 1195 345 283 HIS H H 7.897 0.005 1 1196 345 283 HIS C C 176.712 0.04 1 1197 345 283 HIS CA C 58.582 0.08 1 1198 345 283 HIS CB C 30.257 0.08 1 1199 345 283 HIS N N 119.440 0.05 1 1200 346 284 THR H H 8.369 0.005 1 1201 346 284 THR C C 174.356 0.04 1 1202 346 284 THR CA C 66.613 0.08 1 1203 346 284 THR CB C 67.534 0.08 1 1204 346 284 THR N N 117.588 0.05 1 1205 347 285 LEU H H 7.661 0.005 1 1206 347 285 LEU C C 176.786 0.04 1 1207 347 285 LEU CA C 56.819 0.08 1 1208 347 285 LEU CB C 39.334 0.08 1 1209 347 285 LEU N N 120.633 0.05 1 1210 348 286 ALA H H 8.056 0.005 1 1211 348 286 ALA C C 178.451 0.04 1 1212 348 286 ALA CA C 55.207 0.08 1 1213 348 286 ALA CB C 17.643 0.08 1 1214 348 286 ALA N N 122.569 0.05 1 1215 349 287 LEU H H 7.457 0.005 1 1216 349 287 LEU C C 178.318 0.04 1 1217 349 287 LEU CA C 57.411 0.08 1 1218 349 287 LEU CB C 39.884 0.08 1 1219 349 287 LEU N N 121.083 0.05 1 1220 350 288 TYR H H 7.848 0.005 1 1221 350 288 TYR C C 176.382 0.04 1 1222 350 288 TYR CA C 61.198 0.08 1 1223 350 288 TYR CB C 37.578 0.08 1 1224 350 288 TYR N N 120.619 0.05 1 1225 351 289 ALA H H 8.477 0.005 1 1226 351 289 ALA C C 177.488 0.04 1 1227 351 289 ALA CA C 54.395 0.08 1 1228 351 289 ALA CB C 17.511 0.08 1 1229 351 289 ALA N N 119.777 0.05 1 1230 352 290 GLY H H 7.369 0.005 1 1231 352 290 GLY C C 173.141 0.04 1 1232 352 290 GLY CA C 45.555 0.08 1 1233 352 290 GLY N N 101.900 0.05 1 1234 353 291 GLN H H 7.490 0.005 1 1235 353 291 GLN C C 174.802 0.04 1 1236 353 291 GLN CA C 54.647 0.08 1 1237 353 291 GLN CB C 27.994 0.08 1 1238 353 291 GLN N N 118.100 0.05 1 1239 354 292 LEU H H 6.821 0.005 1 1240 354 292 LEU CA C 52.765 0.08 1 1241 354 292 LEU CB C 39.958 0.08 1 1242 354 292 LEU N N 122.389 0.05 1 1243 355 293 PRO C C 175.538 0.04 1 1244 355 293 PRO CA C 62.596 0.08 1 1245 355 293 PRO CB C 31.221 0.08 1 1246 356 294 GLU H H 8.538 0.005 1 1247 356 294 GLU C C 174.663 0.04 1 1248 356 294 GLU CA C 56.452 0.08 1 1249 356 294 GLU CB C 29.679 0.08 1 1250 356 294 GLU N N 122.846 0.05 1 1251 357 295 GLU H H 8.359 0.005 1 1252 357 295 GLU CA C 53.748 0.08 1 1253 357 295 GLU CB C 29.272 0.08 1 1254 357 295 GLU N N 123.706 0.05 1 stop_ save_