data_26758 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for p38 gamma MAPK ; _BMRB_accession_number 26758 _BMRB_flat_file_name bmr26758.str _Entry_type original _Submission_date 2016-03-16 _Accession_date 2016-03-16 _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 Cordier Florence . . 2 Maisonneuve Pierre . . 3 Caillet-Saguy Celia . . 4 Delepierre Muriel . . 5 Wolff Nicolas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 154 "13C chemical shifts" 491 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-29 original BMRB . stop_ _Original_release_date 2016-09-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular Basis of The Interaction of the Human Protein Tyrosine Phosphatase Non-receptor Type 4 (PTPN4) with the Mitogen-Activated Protein Kinase p38 gamma ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27246854 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Maisonneuve Pierre . . 2 Caillet-Saguy Celia . . 3 Vaney Marie-Christine . . 4 Bibi-Zainab Edoo . . 5 Raynal Bertrand . . 6 Delepierre Muriel . . 7 Lafon Monique . . 8 Cordier Florence . . 9 Wolff Nicolas . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 291 _Journal_issue 32 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16699 _Page_last 16708 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'p38 gamma' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'p38 gamma' $p38_gamma 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_p38_gamma _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p38_gamma _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function Kinase 'Mitogen-Activated Protein Kinase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 367 _Mol_residue_sequence ; MSSPPPARSGFYRQEVTKTA WEVRAVYRDLQPVGSGAYGA VCSAVDGRTGAKVAIKKLYR PFQSELFAKRAYRELRLLKH MRHENVIGLLDVFTPDETLD DFTDFYLVMPFMGTDLGKLM KHEKLGEDRIQFLVYQMLKG LRYIHAAGIIHRDLKPGNLA VNEDCELKILDFGLARQADS EMTGYVVTRWYRAPEVILNW MRYTQTVDIWSVGCIMAEMI TGKTLFKGSDHLDQLKEIMK VTGTPPAEFVQRLQSDEAKN YMKGLPELEKKDFASILTNA SPLAVNLLEKMLVLDAEQRV TAGEALAHPYFESLHDTEDE PQVQKYDDSFDDVDRTLDEW KRVTYKEVLSFKPPRQLGAR VSKETPL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 SER 4 PRO 5 PRO 6 PRO 7 ALA 8 ARG 9 SER 10 GLY 11 PHE 12 TYR 13 ARG 14 GLN 15 GLU 16 VAL 17 THR 18 LYS 19 THR 20 ALA 21 TRP 22 GLU 23 VAL 24 ARG 25 ALA 26 VAL 27 TYR 28 ARG 29 ASP 30 LEU 31 GLN 32 PRO 33 VAL 34 GLY 35 SER 36 GLY 37 ALA 38 TYR 39 GLY 40 ALA 41 VAL 42 CYS 43 SER 44 ALA 45 VAL 46 ASP 47 GLY 48 ARG 49 THR 50 GLY 51 ALA 52 LYS 53 VAL 54 ALA 55 ILE 56 LYS 57 LYS 58 LEU 59 TYR 60 ARG 61 PRO 62 PHE 63 GLN 64 SER 65 GLU 66 LEU 67 PHE 68 ALA 69 LYS 70 ARG 71 ALA 72 TYR 73 ARG 74 GLU 75 LEU 76 ARG 77 LEU 78 LEU 79 LYS 80 HIS 81 MET 82 ARG 83 HIS 84 GLU 85 ASN 86 VAL 87 ILE 88 GLY 89 LEU 90 LEU 91 ASP 92 VAL 93 PHE 94 THR 95 PRO 96 ASP 97 GLU 98 THR 99 LEU 100 ASP 101 ASP 102 PHE 103 THR 104 ASP 105 PHE 106 TYR 107 LEU 108 VAL 109 MET 110 PRO 111 PHE 112 MET 113 GLY 114 THR 115 ASP 116 LEU 117 GLY 118 LYS 119 LEU 120 MET 121 LYS 122 HIS 123 GLU 124 LYS 125 LEU 126 GLY 127 GLU 128 ASP 129 ARG 130 ILE 131 GLN 132 PHE 133 LEU 134 VAL 135 TYR 136 GLN 137 MET 138 LEU 139 LYS 140 GLY 141 LEU 142 ARG 143 TYR 144 ILE 145 HIS 146 ALA 147 ALA 148 GLY 149 ILE 150 ILE 151 HIS 152 ARG 153 ASP 154 LEU 155 LYS 156 PRO 157 GLY 158 ASN 159 LEU 160 ALA 161 VAL 162 ASN 163 GLU 164 ASP 165 CYS 166 GLU 167 LEU 168 LYS 169 ILE 170 LEU 171 ASP 172 PHE 173 GLY 174 LEU 175 ALA 176 ARG 177 GLN 178 ALA 179 ASP 180 SER 181 GLU 182 MET 183 THR 184 GLY 185 TYR 186 VAL 187 VAL 188 THR 189 ARG 190 TRP 191 TYR 192 ARG 193 ALA 194 PRO 195 GLU 196 VAL 197 ILE 198 LEU 199 ASN 200 TRP 201 MET 202 ARG 203 TYR 204 THR 205 GLN 206 THR 207 VAL 208 ASP 209 ILE 210 TRP 211 SER 212 VAL 213 GLY 214 CYS 215 ILE 216 MET 217 ALA 218 GLU 219 MET 220 ILE 221 THR 222 GLY 223 LYS 224 THR 225 LEU 226 PHE 227 LYS 228 GLY 229 SER 230 ASP 231 HIS 232 LEU 233 ASP 234 GLN 235 LEU 236 LYS 237 GLU 238 ILE 239 MET 240 LYS 241 VAL 242 THR 243 GLY 244 THR 245 PRO 246 PRO 247 ALA 248 GLU 249 PHE 250 VAL 251 GLN 252 ARG 253 LEU 254 GLN 255 SER 256 ASP 257 GLU 258 ALA 259 LYS 260 ASN 261 TYR 262 MET 263 LYS 264 GLY 265 LEU 266 PRO 267 GLU 268 LEU 269 GLU 270 LYS 271 LYS 272 ASP 273 PHE 274 ALA 275 SER 276 ILE 277 LEU 278 THR 279 ASN 280 ALA 281 SER 282 PRO 283 LEU 284 ALA 285 VAL 286 ASN 287 LEU 288 LEU 289 GLU 290 LYS 291 MET 292 LEU 293 VAL 294 LEU 295 ASP 296 ALA 297 GLU 298 GLN 299 ARG 300 VAL 301 THR 302 ALA 303 GLY 304 GLU 305 ALA 306 LEU 307 ALA 308 HIS 309 PRO 310 TYR 311 PHE 312 GLU 313 SER 314 LEU 315 HIS 316 ASP 317 THR 318 GLU 319 ASP 320 GLU 321 PRO 322 GLN 323 VAL 324 GLN 325 LYS 326 TYR 327 ASP 328 ASP 329 SER 330 PHE 331 ASP 332 ASP 333 VAL 334 ASP 335 ARG 336 THR 337 LEU 338 ASP 339 GLU 340 TRP 341 LYS 342 ARG 343 VAL 344 THR 345 TYR 346 LYS 347 GLU 348 VAL 349 LEU 350 SER 351 PHE 352 LYS 353 PRO 354 PRO 355 ARG 356 GLN 357 LEU 358 GLY 359 ALA 360 ARG 361 VAL 362 SER 363 LYS 364 GLU 365 THR 366 PRO 367 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $p38_gamma 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 $p38_gamma 'recombinant technology' . Escherichia coli . pET15b 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 $p38_gamma 220 uM '[U-100% 15N]' NaCl 150 mM 'natural abundance' Tris-HCl 50 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p38_gamma 380 uM '[U-100% 13C; U-100% 15N; U-80% 2H]' NaCl 150 mM 'natural abundance' Tris-HCl 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_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_CCPNMR_Analysis _Saveframe_category software _Name CCPNMR_Analysis _Version 2.4.1 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _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_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7.5 . 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 HSQC' '3D HNCO' '3D HN(CA)CO' '3D HNCACB' '3D HNCA' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'p38 gamma' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 PRO C C 176.751 0.006 1 2 6 6 PRO CA C 62.302 0.006 1 3 6 6 PRO CB C 31.255 0.000 1 4 7 7 ALA H H 8.350 0.004 1 5 7 7 ALA C C 177.422 0.030 1 6 7 7 ALA CA C 51.407 0.011 1 7 7 7 ALA CB C 18.709 0.059 1 8 7 7 ALA N N 123.950 0.016 1 9 8 8 ARG H H 8.537 0.010 1 10 8 8 ARG C C 176.198 0.071 1 11 8 8 ARG CA C 55.906 0.033 1 12 8 8 ARG CB C 29.296 0.048 1 13 8 8 ARG N N 123.242 0.057 1 14 9 9 SER H H 8.493 0.002 1 15 9 9 SER C C 176.152 0.000 1 16 9 9 SER CA C 59.594 0.047 1 17 9 9 SER CB C 62.922 0.061 1 18 9 9 SER N N 116.937 0.035 1 19 10 10 GLY H H 8.845 0.003 1 20 10 10 GLY CA C 44.860 0.030 1 21 10 10 GLY N N 113.202 0.036 1 22 11 11 PHE H H 8.500 0.003 1 23 11 11 PHE C C 174.660 0.030 1 24 11 11 PHE N N 121.536 0.014 1 25 12 12 TYR H H 8.757 0.005 1 26 12 12 TYR C C 171.919 0.035 1 27 12 12 TYR CA C 56.228 0.041 1 28 12 12 TYR CB C 40.192 0.009 1 29 12 12 TYR N N 117.108 0.025 1 30 13 13 ARG H H 8.573 0.003 1 31 13 13 ARG C C 175.938 0.021 1 32 13 13 ARG CA C 54.054 0.037 1 33 13 13 ARG CB C 32.344 0.000 1 34 13 13 ARG N N 119.939 0.017 1 35 14 14 GLN H H 9.155 0.004 1 36 14 14 GLN C C 173.705 0.015 1 37 14 14 GLN CB C 32.301 0.016 1 38 14 14 GLN N N 124.953 0.020 1 39 15 15 GLU H H 8.834 0.004 1 40 15 15 GLU C C 176.096 0.066 1 41 15 15 GLU CA C 55.731 0.040 1 42 15 15 GLU CB C 29.520 0.042 1 43 15 15 GLU N N 127.046 0.022 1 44 16 16 VAL H H 9.067 0.005 1 45 16 16 VAL C C 176.574 0.000 1 46 16 16 VAL CA C 61.671 0.009 1 47 16 16 VAL CB C 32.740 0.000 1 48 16 16 VAL N N 128.138 0.016 1 49 17 17 THR C C 174.711 0.000 1 50 17 17 THR CB C 67.686 0.000 1 51 18 18 LYS H H 8.756 0.005 1 52 18 18 LYS C C 175.446 0.055 1 53 18 18 LYS CA C 57.471 0.043 1 54 18 18 LYS CB C 29.370 0.027 1 55 18 18 LYS N N 112.437 0.016 1 56 19 19 THR H H 8.039 0.003 1 57 19 19 THR C C 172.592 0.044 1 58 19 19 THR CA C 61.165 0.014 1 59 19 19 THR CB C 70.693 0.006 1 60 19 19 THR N N 116.684 0.022 1 61 20 20 ALA H H 8.745 0.003 1 62 20 20 ALA C C 176.551 0.060 1 63 20 20 ALA CA C 52.425 0.028 1 64 20 20 ALA CB C 18.057 0.032 1 65 20 20 ALA N N 129.393 0.025 1 66 21 21 TRP H H 9.098 0.007 1 67 21 21 TRP HE1 H 10.145 0.000 1 68 21 21 TRP C C 174.894 0.000 1 69 21 21 TRP CA C 57.007 0.036 1 70 21 21 TRP CB C 29.393 0.000 1 71 21 21 TRP N N 127.053 0.049 1 72 21 21 TRP NE1 N 130.356 0.000 1 73 24 24 ARG C C 176.698 0.032 1 74 24 24 ARG CA C 56.246 0.011 1 75 24 24 ARG CB C 29.771 0.000 1 76 25 25 ALA H H 8.017 0.004 1 77 25 25 ALA C C 177.352 0.029 1 78 25 25 ALA CA C 53.700 0.017 1 79 25 25 ALA CB C 17.209 0.030 1 80 25 25 ALA N N 121.263 0.015 1 81 26 26 VAL H H 6.365 0.006 1 82 26 26 VAL C C 174.733 0.014 1 83 26 26 VAL CA C 62.126 0.033 1 84 26 26 VAL CB C 30.633 0.051 1 85 26 26 VAL N N 108.263 0.030 1 86 27 27 TYR H H 7.679 0.003 1 87 27 27 TYR C C 174.628 0.005 1 88 27 27 TYR CA C 56.120 0.019 1 89 27 27 TYR CB C 37.294 0.028 1 90 27 27 TYR N N 121.034 0.020 1 91 28 28 ARG H H 9.114 0.003 1 92 28 28 ARG C C 174.565 0.032 1 93 28 28 ARG CA C 53.081 0.028 1 94 28 28 ARG CB C 31.859 0.006 1 95 28 28 ARG N N 122.802 0.006 1 96 29 29 ASP H H 8.443 0.005 1 97 29 29 ASP C C 174.339 0.015 1 98 29 29 ASP CA C 54.264 0.017 1 99 29 29 ASP CB C 38.235 0.024 1 100 29 29 ASP N N 118.566 0.021 1 101 30 30 LEU H H 8.214 0.006 1 102 30 30 LEU C C 179.390 0.033 1 103 30 30 LEU CA C 55.636 0.065 1 104 30 30 LEU CB C 41.181 0.013 1 105 30 30 LEU N N 119.483 0.015 1 106 31 31 GLN H H 8.480 0.003 1 107 31 31 GLN C C 173.199 0.000 1 108 31 31 GLN CA C 51.774 0.021 1 109 31 31 GLN CB C 29.786 0.000 1 110 31 31 GLN N N 121.994 0.019 1 111 38 38 TYR C C 177.255 0.000 1 112 38 38 TYR CA C 56.744 0.000 1 113 39 39 GLY H H 7.289 0.006 1 114 39 39 GLY C C 169.878 0.047 1 115 39 39 GLY CA C 45.493 0.027 1 116 39 39 GLY N N 109.028 0.024 1 117 40 40 ALA H H 8.039 0.003 1 118 40 40 ALA C C 174.902 0.061 1 119 40 40 ALA CA C 50.772 0.050 1 120 40 40 ALA CB C 22.001 0.030 1 121 40 40 ALA N N 123.035 0.012 1 122 41 41 VAL H H 8.766 0.004 1 123 41 41 VAL C C 176.709 0.048 1 124 41 41 VAL CA C 60.716 0.036 1 125 41 41 VAL CB C 34.298 0.057 1 126 41 41 VAL N N 119.524 0.025 1 127 42 42 CYS H H 9.279 0.006 1 128 42 42 CYS C C 174.320 0.017 1 129 42 42 CYS CA C 57.857 0.032 1 130 42 42 CYS CB C 31.933 0.045 1 131 42 42 CYS N N 126.419 0.027 1 132 43 43 SER H H 9.354 0.003 1 133 43 43 SER C C 172.558 0.011 1 134 43 43 SER CA C 56.319 0.031 1 135 43 43 SER CB C 65.318 0.056 1 136 43 43 SER N N 117.506 0.021 1 137 44 44 ALA H H 8.683 0.004 1 138 44 44 ALA C C 175.498 0.020 1 139 44 44 ALA CA C 50.434 0.032 1 140 44 44 ALA CB C 22.137 0.003 1 141 44 44 ALA N N 120.613 0.036 1 142 45 45 VAL H H 9.094 0.006 1 143 45 45 VAL C C 176.453 0.048 1 144 45 45 VAL CA C 60.582 0.024 1 145 45 45 VAL CB C 33.781 0.009 1 146 45 45 VAL N N 119.934 0.026 1 147 46 46 ASP H H 8.983 0.007 1 148 46 46 ASP C C 177.239 0.028 1 149 46 46 ASP CA C 52.823 0.018 1 150 46 46 ASP CB C 40.834 0.042 1 151 46 46 ASP N N 126.566 0.020 1 152 47 47 GLY H H 9.456 0.005 1 153 47 47 GLY C C 175.273 0.037 1 154 47 47 GLY CA C 45.770 0.014 1 155 47 47 GLY N N 116.411 0.010 1 156 48 48 ARG H H 8.755 0.004 1 157 48 48 ARG C C 178.235 0.006 1 158 48 48 ARG CA C 57.842 0.077 1 159 48 48 ARG CB C 29.657 0.057 1 160 48 48 ARG N N 118.981 0.020 1 161 49 49 THR H H 7.064 0.007 1 162 49 49 THR C C 176.229 0.048 1 163 49 49 THR CA C 60.605 0.073 1 164 49 49 THR CB C 71.069 0.034 1 165 49 49 THR N N 104.370 0.030 1 166 50 50 GLY H H 9.057 0.004 1 167 50 50 GLY C C 173.199 0.005 1 168 50 50 GLY CA C 44.895 0.017 1 169 50 50 GLY N N 112.807 0.015 1 170 51 51 ALA H H 7.885 0.003 1 171 51 51 ALA C C 176.077 0.017 1 172 51 51 ALA CA C 51.650 0.027 1 173 51 51 ALA CB C 19.132 0.007 1 174 51 51 ALA N N 123.676 0.008 1 175 52 52 LYS H H 8.434 0.004 1 176 52 52 LYS C C 176.595 0.000 1 177 52 52 LYS CA C 55.615 0.033 1 178 52 52 LYS CB C 32.549 0.000 1 179 52 52 LYS N N 120.916 0.020 1 180 61 61 PRO C C 174.131 0.000 1 181 61 61 PRO CA C 63.892 0.034 1 182 61 61 PRO CB C 30.098 0.000 1 183 62 62 PHE H H 7.711 0.004 1 184 62 62 PHE C C 176.794 0.045 1 185 62 62 PHE CA C 54.428 0.051 1 186 62 62 PHE CB C 36.473 0.051 1 187 62 62 PHE N N 109.942 0.024 1 188 63 63 GLN H H 7.739 0.003 1 189 63 63 GLN C C 175.113 0.024 1 190 63 63 GLN CA C 56.631 0.007 1 191 63 63 GLN CB C 28.463 0.064 1 192 63 63 GLN N N 115.507 0.018 1 193 64 64 SER H H 7.338 0.006 1 194 64 64 SER C C 173.507 0.001 1 195 64 64 SER CA C 56.188 0.042 1 196 64 64 SER CB C 65.500 0.059 1 197 64 64 SER N N 110.278 0.024 1 198 65 65 GLU H H 9.841 0.007 1 199 65 65 GLU C C 176.882 0.015 1 200 65 65 GLU CA C 60.367 0.070 1 201 65 65 GLU CB C 28.486 0.003 1 202 65 65 GLU N N 123.584 0.028 1 203 66 66 LEU H H 7.978 0.006 1 204 66 66 LEU C C 179.682 0.045 1 205 66 66 LEU CA C 58.057 0.046 1 206 66 66 LEU CB C 41.157 0.030 1 207 66 66 LEU N N 118.545 0.014 1 208 67 67 PHE H H 7.385 0.006 1 209 67 67 PHE C C 177.947 0.012 1 210 67 67 PHE CA C 61.058 0.034 1 211 67 67 PHE CB C 37.982 0.048 1 212 67 67 PHE N N 120.208 0.011 1 213 68 68 ALA H H 8.210 0.005 1 214 68 68 ALA C C 178.963 0.020 1 215 68 68 ALA CA C 54.919 0.056 1 216 68 68 ALA CB C 18.058 0.035 1 217 68 68 ALA N N 126.536 0.024 1 218 69 69 LYS H H 7.770 0.006 1 219 69 69 LYS C C 178.878 0.000 1 220 69 69 LYS CA C 58.456 0.017 1 221 69 69 LYS CB C 31.472 0.000 1 222 69 69 LYS N N 117.452 0.027 1 223 85 85 ASN H H 11.247 0.008 1 224 85 85 ASN C C 173.925 0.000 1 225 85 85 ASN CA C 53.915 0.066 1 226 85 85 ASN CB C 40.220 0.014 1 227 85 85 ASN N N 120.902 0.026 1 228 86 86 VAL H H 7.903 0.006 1 229 86 86 VAL C C 175.303 0.020 1 230 86 86 VAL CA C 61.377 0.003 1 231 86 86 VAL CB C 34.408 0.000 1 232 86 86 VAL N N 121.333 0.021 1 233 87 87 ILE H H 8.591 0.005 1 234 87 87 ILE C C 171.395 0.026 1 235 87 87 ILE CA C 60.717 0.057 1 236 87 87 ILE CB C 38.070 0.000 1 237 87 87 ILE N N 130.322 0.013 1 238 88 88 GLY H H 6.683 0.004 1 239 88 88 GLY C C 171.532 0.000 1 240 88 88 GLY CA C 43.502 0.018 1 241 88 88 GLY N N 109.638 0.015 1 242 89 89 LEU H H 7.992 0.007 1 243 89 89 LEU C C 177.573 0.004 1 244 89 89 LEU CA C 53.138 0.034 1 245 89 89 LEU CB C 43.871 0.000 1 246 89 89 LEU N N 115.911 0.018 1 247 90 90 LEU H H 9.384 0.004 1 248 90 90 LEU CA C 54.763 0.036 1 249 90 90 LEU CB C 42.521 0.000 1 250 90 90 LEU N N 122.425 0.021 1 251 95 95 PRO C C 175.737 0.000 1 252 95 95 PRO CA C 62.472 0.069 1 253 96 96 ASP H H 8.292 0.007 1 254 96 96 ASP C C 177.418 0.026 1 255 96 96 ASP CA C 55.223 0.046 1 256 96 96 ASP CB C 41.981 0.009 1 257 96 96 ASP N N 122.520 0.036 1 258 97 97 GLU H H 9.149 0.007 1 259 97 97 GLU C C 175.997 0.014 1 260 97 97 GLU CA C 58.408 0.012 1 261 97 97 GLU CB C 31.409 0.039 1 262 97 97 GLU N N 120.285 0.048 1 263 98 98 THR H H 7.321 0.007 1 264 98 98 THR C C 173.704 0.057 1 265 98 98 THR CA C 58.556 0.035 1 266 98 98 THR CB C 72.832 0.038 1 267 98 98 THR N N 106.557 0.027 1 268 99 99 LEU H H 8.360 0.004 1 269 99 99 LEU C C 178.809 0.020 1 270 99 99 LEU CA C 56.630 0.057 1 271 99 99 LEU CB C 39.940 0.017 1 272 99 99 LEU N N 121.774 0.039 1 273 100 100 ASP H H 7.796 0.004 1 274 100 100 ASP C C 177.354 0.029 1 275 100 100 ASP CA C 56.668 0.024 1 276 100 100 ASP CB C 39.742 0.005 1 277 100 100 ASP N N 116.273 0.021 1 278 101 101 ASP H H 7.295 0.005 1 279 101 101 ASP C C 175.653 0.044 1 280 101 101 ASP CA C 53.738 0.047 1 281 101 101 ASP CB C 41.662 0.016 1 282 101 101 ASP N N 116.367 0.027 1 283 102 102 PHE H H 7.288 0.005 1 284 102 102 PHE C C 174.615 0.000 1 285 102 102 PHE CA C 56.442 0.011 1 286 102 102 PHE CB C 37.935 0.000 1 287 102 102 PHE N N 122.033 0.013 1 288 112 112 MET C C 175.744 0.000 1 289 112 112 MET CA C 54.130 0.079 1 290 113 113 GLY H H 7.327 0.006 1 291 113 113 GLY C C 173.339 0.019 1 292 113 113 GLY CA C 46.127 0.026 1 293 113 113 GLY N N 107.107 0.056 1 294 114 114 THR H H 7.788 0.002 1 295 114 114 THR C C 173.625 0.017 1 296 114 114 THR CA C 59.404 0.038 1 297 114 114 THR CB C 69.171 0.058 1 298 114 114 THR N N 115.412 0.025 1 299 115 115 ASP H H 8.509 0.005 1 300 115 115 ASP C C 175.649 0.016 1 301 115 115 ASP CA C 52.336 0.012 1 302 115 115 ASP CB C 43.856 0.039 1 303 115 115 ASP N N 119.510 0.057 1 304 116 116 LEU H H 8.874 0.007 1 305 116 116 LEU C C 177.925 0.002 1 306 116 116 LEU CA C 56.853 0.049 1 307 116 116 LEU CB C 41.620 0.000 1 308 116 116 LEU N N 120.438 0.006 1 309 117 117 GLY H H 7.983 0.004 1 310 117 117 GLY C C 176.319 0.027 1 311 117 117 GLY CA C 46.928 0.025 1 312 117 117 GLY N N 107.037 0.022 1 313 118 118 LYS H H 7.819 0.014 1 314 118 118 LYS C C 179.779 0.024 1 315 118 118 LYS CA C 58.987 0.049 1 316 118 118 LYS CB C 31.544 0.000 1 317 118 118 LYS N N 123.700 0.048 1 318 119 119 LEU H H 8.140 0.008 1 319 119 119 LEU C C 178.902 0.000 1 320 119 119 LEU CA C 58.094 0.025 1 321 119 119 LEU CB C 41.780 0.000 1 322 119 119 LEU N N 121.355 0.048 1 323 120 120 MET H H 8.137 0.005 1 324 120 120 MET C C 177.141 0.000 1 325 120 120 MET CA C 58.170 0.030 1 326 120 120 MET CB C 33.419 0.000 1 327 120 120 MET N N 114.241 0.032 1 328 121 121 LYS H H 7.179 0.004 1 329 121 121 LYS C C 177.352 0.000 1 330 121 121 LYS CA C 56.971 0.000 1 331 121 121 LYS CB C 31.763 0.000 1 332 121 121 LYS N N 116.665 0.022 1 333 125 125 LEU C C 177.116 0.056 1 334 125 125 LEU CA C 54.898 0.005 1 335 125 125 LEU CB C 42.095 0.000 1 336 126 126 GLY H H 8.435 0.003 1 337 126 126 GLY C C 174.525 0.000 1 338 126 126 GLY CA C 43.571 0.022 1 339 126 126 GLY N N 108.606 0.034 1 340 127 127 GLU H H 8.785 0.004 1 341 127 127 GLU C C 178.261 0.021 1 342 127 127 GLU CA C 60.121 0.031 1 343 127 127 GLU CB C 28.966 0.039 1 344 127 127 GLU N N 120.352 0.033 1 345 128 128 ASP H H 8.768 0.007 1 346 128 128 ASP C C 178.959 0.025 1 347 128 128 ASP CA C 56.241 0.050 1 348 128 128 ASP CB C 38.599 0.032 1 349 128 128 ASP N N 118.072 0.045 1 350 129 129 ARG H H 7.621 0.004 1 351 129 129 ARG C C 178.258 0.031 1 352 129 129 ARG CA C 58.714 0.023 1 353 129 129 ARG CB C 29.860 0.010 1 354 129 129 ARG N N 122.501 0.041 1 355 130 130 ILE H H 8.257 0.004 1 356 130 130 ILE C C 177.005 0.042 1 357 130 130 ILE CA C 66.315 0.030 1 358 130 130 ILE CB C 37.710 0.068 1 359 130 130 ILE N N 119.961 0.026 1 360 131 131 GLN H H 7.907 0.012 1 361 131 131 GLN C C 177.941 0.009 1 362 131 131 GLN CA C 59.268 0.012 1 363 131 131 GLN CB C 27.979 0.065 1 364 131 131 GLN N N 118.468 0.045 1 365 132 132 PHE H H 7.704 0.009 1 366 132 132 PHE C C 179.315 0.000 1 367 132 132 PHE CA C 59.036 0.005 1 368 132 132 PHE CB C 39.501 0.000 1 369 132 132 PHE N N 117.631 0.054 1 370 145 145 HIS C C 181.492 0.000 1 371 145 145 HIS CA C 56.691 0.044 1 372 145 145 HIS CB C 30.492 0.000 1 373 146 146 ALA H H 7.909 0.003 1 374 146 146 ALA C C 179.019 0.076 1 375 146 146 ALA CA C 54.508 0.024 1 376 146 146 ALA CB C 16.822 0.009 1 377 146 146 ALA N N 125.552 0.040 1 378 147 147 ALA H H 7.619 0.008 1 379 147 147 ALA C C 176.821 0.035 1 380 147 147 ALA CA C 52.009 0.063 1 381 147 147 ALA CB C 17.678 0.002 1 382 147 147 ALA N N 119.897 0.048 1 383 148 148 GLY H H 7.962 0.005 1 384 148 148 GLY CA C 44.647 0.000 1 385 148 148 GLY N N 106.373 0.025 1 386 160 160 ALA C C 176.534 0.015 1 387 160 160 ALA CA C 50.920 0.069 1 388 160 160 ALA CB C 19.675 0.000 1 389 161 161 VAL H H 7.865 0.005 1 390 161 161 VAL C C 174.527 0.033 1 391 161 161 VAL CA C 58.748 0.019 1 392 161 161 VAL CB C 35.500 0.055 1 393 161 161 VAL N N 117.278 0.059 1 394 162 162 ASN H H 7.656 0.003 1 395 162 162 ASN C C 178.235 0.000 1 396 162 162 ASN CA C 49.749 0.065 1 397 162 162 ASN CB C 40.381 0.043 1 398 162 162 ASN N N 120.743 0.054 1 399 163 163 GLU H H 8.836 0.014 1 400 163 163 GLU C C 176.961 0.009 1 401 163 163 GLU CA C 58.733 0.051 1 402 163 163 GLU CB C 28.163 0.020 1 403 163 163 GLU N N 118.354 0.028 1 404 164 164 ASP H H 7.472 0.004 1 405 164 164 ASP C C 174.810 0.023 1 406 164 164 ASP CA C 54.145 0.070 1 407 164 164 ASP CB C 40.572 0.017 1 408 164 164 ASP N N 118.743 0.045 1 409 165 165 CYS H H 8.363 0.003 1 410 165 165 CYS C C 173.068 0.000 1 411 165 165 CYS CA C 62.444 0.040 1 412 165 165 CYS CB C 25.021 0.001 1 413 165 165 CYS N N 112.501 0.055 1 414 166 166 GLU H H 7.702 0.005 1 415 166 166 GLU C C 175.181 0.055 1 416 166 166 GLU CA C 55.779 0.055 1 417 166 166 GLU CB C 28.373 0.001 1 418 166 166 GLU N N 117.313 0.036 1 419 167 167 LEU H H 7.656 0.005 1 420 167 167 LEU C C 176.417 0.000 1 421 167 167 LEU CA C 52.888 0.026 1 422 167 167 LEU CB C 45.199 0.000 1 423 167 167 LEU N N 123.393 0.030 1 424 184 184 GLY C C 173.768 0.000 1 425 184 184 GLY CA C 44.830 0.039 1 426 185 185 TYR H H 7.730 0.004 1 427 185 185 TYR C C 175.231 0.020 1 428 185 185 TYR CA C 57.441 0.051 1 429 185 185 TYR CB C 38.578 0.047 1 430 185 185 TYR N N 120.569 0.013 1 431 186 186 VAL H H 7.963 0.005 1 432 186 186 VAL C C 175.557 0.056 1 433 186 186 VAL CA C 62.001 0.025 1 434 186 186 VAL CB C 31.620 0.001 1 435 186 186 VAL N N 124.217 0.020 1 436 187 187 VAL H H 8.084 0.006 1 437 187 187 VAL C C 175.270 0.000 1 438 187 187 VAL CA C 61.426 0.002 1 439 187 187 VAL CB C 31.926 0.000 1 440 187 187 VAL N N 126.025 0.016 1 441 257 257 GLU C C 179.343 0.000 1 442 258 258 ALA H H 8.000 0.005 1 443 258 258 ALA C C 179.159 0.000 1 444 258 258 ALA CA C 54.482 0.061 1 445 258 258 ALA CB C 18.224 0.042 1 446 258 258 ALA N N 121.921 0.056 1 447 259 259 LYS H H 7.931 0.007 1 448 259 259 LYS C C 178.957 0.014 1 449 259 259 LYS CA C 60.222 0.035 1 450 259 259 LYS CB C 31.753 0.043 1 451 259 259 LYS N N 117.904 0.026 1 452 260 260 ASN H H 8.351 0.005 1 453 260 260 ASN C C 177.773 0.033 1 454 260 260 ASN CA C 55.611 0.041 1 455 260 260 ASN CB C 37.359 0.054 1 456 260 260 ASN N N 117.126 0.014 1 457 261 261 TYR H H 7.872 0.003 1 458 261 261 TYR C C 178.175 0.053 1 459 261 261 TYR CA C 60.576 0.044 1 460 261 261 TYR CB C 38.207 0.022 1 461 261 261 TYR N N 121.542 0.022 1 462 262 262 MET H H 8.152 0.004 1 463 262 262 MET C C 178.861 0.030 1 464 262 262 MET CA C 57.057 0.019 1 465 262 262 MET CB C 31.705 0.001 1 466 262 262 MET N N 116.166 0.032 1 467 263 263 LYS H H 7.757 0.005 1 468 263 263 LYS C C 177.441 0.019 1 469 263 263 LYS CA C 58.012 0.045 1 470 263 263 LYS CB C 31.253 0.031 1 471 263 263 LYS N N 118.540 0.024 1 472 264 264 GLY H H 7.391 0.005 1 473 264 264 GLY C C 174.226 0.007 1 474 264 264 GLY CA C 44.458 0.031 1 475 264 264 GLY N N 105.500 0.024 1 476 265 265 LEU H H 6.974 0.005 1 477 265 265 LEU C C 174.940 0.000 1 478 265 265 LEU CA C 52.482 0.016 1 479 265 265 LEU CB C 40.674 0.000 1 480 265 265 LEU N N 122.374 0.014 1 481 266 266 PRO C C 175.432 0.019 1 482 266 266 PRO CA C 61.803 0.037 1 483 266 266 PRO CB C 30.951 0.000 1 484 267 267 GLU H H 8.147 0.004 1 485 267 267 GLU C C 176.221 0.052 1 486 267 267 GLU CA C 56.737 0.033 1 487 267 267 GLU CB C 28.821 0.011 1 488 267 267 GLU N N 119.880 0.014 1 489 268 268 LEU H H 8.456 0.005 1 490 268 268 LEU C C 176.823 0.064 1 491 268 268 LEU CA C 53.406 0.042 1 492 268 268 LEU CB C 43.208 0.028 1 493 268 268 LEU N N 126.930 0.037 1 494 269 269 GLU H H 8.633 0.004 1 495 269 269 GLU C C 175.575 0.010 1 496 269 269 GLU CA C 55.047 0.041 1 497 269 269 GLU CB C 29.985 0.039 1 498 269 269 GLU N N 124.599 0.014 1 499 270 270 LYS H H 8.369 0.004 1 500 270 270 LYS C C 176.860 0.028 1 501 270 270 LYS CA C 56.230 0.023 1 502 270 270 LYS CB C 32.566 0.060 1 503 270 270 LYS N N 123.443 0.019 1 504 271 271 LYS H H 8.430 0.003 1 505 271 271 LYS C C 175.649 0.046 1 506 271 271 LYS CA C 54.342 0.040 1 507 271 271 LYS CB C 33.218 0.010 1 508 271 271 LYS N N 126.179 0.035 1 509 272 272 ASP H H 8.412 0.004 1 510 272 272 ASP C C 178.532 0.028 1 511 272 272 ASP CA C 53.226 0.028 1 512 272 272 ASP CB C 40.892 0.027 1 513 272 272 ASP N N 121.225 0.010 1 514 273 273 PHE H H 9.518 0.003 1 515 273 273 PHE C C 178.102 0.000 1 516 273 273 PHE CA C 60.524 0.047 1 517 273 273 PHE CB C 37.358 0.031 1 518 273 273 PHE N N 129.778 0.024 1 519 274 274 ALA H H 8.824 0.004 1 520 274 274 ALA C C 178.975 0.023 1 521 274 274 ALA CA C 54.474 0.052 1 522 274 274 ALA CB C 17.179 0.037 1 523 274 274 ALA N N 121.997 0.022 1 524 275 275 SER H H 7.578 0.004 1 525 275 275 SER C C 174.873 0.018 1 526 275 275 SER CA C 59.915 0.015 1 527 275 275 SER CB C 63.633 0.019 1 528 275 275 SER N N 111.074 0.025 1 529 276 276 ILE H H 7.063 0.004 1 530 276 276 ILE C C 176.431 0.063 1 531 276 276 ILE CA C 61.871 0.035 1 532 276 276 ILE CB C 38.473 0.018 1 533 276 276 ILE N N 118.385 0.025 1 534 277 277 LEU H H 7.761 0.003 1 535 277 277 LEU C C 175.990 0.035 1 536 277 277 LEU CA C 52.235 0.028 1 537 277 277 LEU CB C 39.234 0.049 1 538 277 277 LEU N N 122.690 0.024 1 539 278 278 THR H H 7.331 0.003 1 540 278 278 THR C C 174.696 0.013 1 541 278 278 THR CA C 64.262 0.026 1 542 278 278 THR CB C 68.603 0.017 1 543 278 278 THR N N 114.840 0.009 1 544 279 279 ASN H H 8.680 0.004 1 545 279 279 ASN C C 174.492 0.038 1 546 279 279 ASN CA C 53.436 0.036 1 547 279 279 ASN CB C 37.455 0.029 1 548 279 279 ASN N N 117.329 0.013 1 549 280 280 ALA H H 7.486 0.005 1 550 280 280 ALA C C 176.925 0.038 1 551 280 280 ALA CA C 50.810 0.033 1 552 280 280 ALA CB C 20.282 0.001 1 553 280 280 ALA N N 122.420 0.010 1 554 281 281 SER H H 8.948 0.002 1 555 281 281 SER CA C 56.056 0.001 1 556 281 281 SER CB C 62.757 0.000 1 557 281 281 SER N N 120.224 0.020 1 558 283 283 LEU H H 8.146 0.004 1 559 283 283 LEU C C 178.157 0.015 1 560 283 283 LEU CA C 57.440 0.045 1 561 283 283 LEU CB C 42.086 0.017 1 562 283 283 LEU N N 116.919 0.016 1 563 284 284 ALA H H 7.386 0.008 1 564 284 284 ALA C C 179.297 0.030 1 565 284 284 ALA CA C 54.305 0.018 1 566 284 284 ALA CB C 17.083 0.045 1 567 284 284 ALA N N 122.263 0.021 1 568 285 285 VAL H H 7.867 0.009 1 569 285 285 VAL C C 176.685 0.012 1 570 285 285 VAL CA C 66.667 0.028 1 571 285 285 VAL CB C 30.635 0.000 1 572 285 285 VAL N N 116.033 0.021 1 573 286 286 ASN H H 7.639 0.007 1 574 286 286 ASN C C 176.627 0.000 1 575 286 286 ASN CA C 57.018 0.026 1 576 286 286 ASN CB C 40.053 0.000 1 577 286 286 ASN N N 116.346 0.017 1 578 293 293 VAL C C 176.770 0.026 1 579 293 293 VAL CA C 59.384 0.024 1 580 293 293 VAL CB C 33.595 0.000 1 581 294 294 LEU H H 9.208 0.003 1 582 294 294 LEU C C 176.983 0.000 1 583 294 294 LEU CA C 58.751 0.048 1 584 294 294 LEU CB C 41.037 0.034 1 585 294 294 LEU N N 128.159 0.040 1 586 295 295 ASP H H 7.958 0.007 1 587 295 295 ASP C C 176.713 0.012 1 588 295 295 ASP CA C 53.429 0.056 1 589 295 295 ASP CB C 40.079 0.077 1 590 295 295 ASP N N 116.734 0.011 1 591 296 296 ALA H H 8.340 0.006 1 592 296 296 ALA CA C 54.828 0.025 1 593 296 296 ALA CB C 19.225 0.000 1 594 296 296 ALA N N 130.904 0.030 1 595 297 297 GLU C C 177.562 0.042 1 596 297 297 GLU CA C 56.838 0.036 1 597 298 298 GLN H H 7.617 0.005 1 598 298 298 GLN C C 175.963 0.045 1 599 298 298 GLN CA C 54.451 0.033 1 600 298 298 GLN CB C 29.174 0.007 1 601 298 298 GLN N N 116.338 0.031 1 602 299 299 ARG H H 6.966 0.005 1 603 299 299 ARG C C 175.635 0.001 1 604 299 299 ARG CA C 56.022 0.071 1 605 299 299 ARG CB C 31.213 0.013 1 606 299 299 ARG N N 120.760 0.029 1 607 300 300 VAL H H 7.078 0.003 1 608 300 300 VAL C C 173.834 0.020 1 609 300 300 VAL CA C 60.841 0.019 1 610 300 300 VAL CB C 31.659 0.028 1 611 300 300 VAL N N 116.746 0.034 1 612 301 301 THR H H 7.597 0.005 1 613 301 301 THR C C 176.014 0.061 1 614 301 301 THR CA C 60.303 0.052 1 615 301 301 THR CB C 70.713 0.033 1 616 301 301 THR N N 107.071 0.033 1 617 302 302 ALA H H 9.628 0.006 1 618 302 302 ALA C C 179.523 0.000 1 619 302 302 ALA CA C 55.845 0.060 1 620 302 302 ALA CB C 16.306 0.008 1 621 302 302 ALA N N 122.294 0.026 1 622 303 303 GLY H H 8.731 0.004 1 623 303 303 GLY C C 176.665 0.000 1 624 303 303 GLY CA C 46.454 0.037 1 625 303 303 GLY N N 101.908 0.043 1 626 304 304 GLU H H 7.434 0.009 1 627 304 304 GLU C C 180.085 0.000 1 628 304 304 GLU CA C 58.283 0.038 1 629 304 304 GLU CB C 29.398 0.000 1 630 304 304 GLU N N 121.525 0.033 1 631 316 316 ASP C C 176.324 0.000 1 632 316 316 ASP CA C 53.434 0.003 1 633 316 316 ASP CB C 41.396 0.000 1 634 317 317 THR H H 8.164 0.017 1 635 317 317 THR C C 174.629 0.000 1 636 317 317 THR CA C 61.375 0.069 1 637 317 317 THR CB C 69.020 0.000 1 638 317 317 THR N N 114.883 0.054 1 639 318 318 GLU H H 8.242 0.003 1 640 318 318 GLU C C 176.255 0.000 1 641 318 318 GLU CA C 55.925 0.002 1 642 318 318 GLU CB C 29.702 0.000 1 643 318 318 GLU N N 123.595 0.054 1 644 319 319 ASP H H 8.292 0.003 1 645 319 319 ASP C C 175.726 0.000 1 646 319 319 ASP CA C 53.775 0.028 1 647 319 319 ASP CB C 41.038 0.000 1 648 319 319 ASP N N 123.445 0.026 1 649 320 320 GLU H H 8.408 0.006 1 650 320 320 GLU C C 174.674 0.000 1 651 320 320 GLU CA C 54.014 0.026 1 652 320 320 GLU CB C 29.099 0.000 1 653 320 320 GLU N N 122.866 0.051 1 654 321 321 PRO C C 176.448 0.032 1 655 321 321 PRO CA C 62.557 0.017 1 656 321 321 PRO CB C 31.692 0.000 1 657 322 322 GLN H H 8.639 0.003 1 658 322 322 GLN C C 175.004 0.013 1 659 322 322 GLN CA C 54.895 0.009 1 660 322 322 GLN CB C 28.026 0.007 1 661 322 322 GLN N N 122.512 0.060 1 662 323 323 VAL H H 8.110 0.003 1 663 323 323 VAL C C 174.292 0.025 1 664 323 323 VAL CA C 60.618 0.019 1 665 323 323 VAL CB C 33.104 0.059 1 666 323 323 VAL N N 124.900 0.037 1 667 324 324 GLN H H 8.416 0.004 1 668 324 324 GLN C C 176.250 0.016 1 669 324 324 GLN CA C 54.616 0.022 1 670 324 324 GLN CB C 29.010 0.018 1 671 324 324 GLN N N 126.419 0.038 1 672 325 325 LYS H H 8.703 0.004 1 673 325 325 LYS C C 176.957 0.027 1 674 325 325 LYS CA C 56.598 0.032 1 675 325 325 LYS CB C 31.403 0.001 1 676 325 325 LYS N N 125.023 0.015 1 677 326 326 TYR H H 8.885 0.004 1 678 326 326 TYR C C 174.172 0.043 1 679 326 326 TYR CA C 58.573 0.038 1 680 326 326 TYR CB C 37.900 0.021 1 681 326 326 TYR N N 127.932 0.019 1 682 327 327 ASP H H 8.053 0.005 1 683 327 327 ASP C C 174.722 0.023 1 684 327 327 ASP CA C 52.375 0.054 1 685 327 327 ASP CB C 39.780 0.043 1 686 327 327 ASP N N 129.166 0.023 1 687 328 328 ASP H H 8.099 0.007 1 688 328 328 ASP C C 178.654 0.080 1 689 328 328 ASP CA C 53.443 0.064 1 690 328 328 ASP CB C 40.789 0.019 1 691 328 328 ASP N N 125.414 0.010 1 692 329 329 SER H H 8.300 0.005 1 693 329 329 SER C C 176.386 0.000 1 694 329 329 SER CA C 62.241 0.068 1 695 329 329 SER CB C 62.522 0.000 1 696 329 329 SER N N 117.036 0.012 1 697 330 330 PHE H H 7.896 0.005 1 698 330 330 PHE C C 176.858 0.015 1 699 330 330 PHE CA C 57.961 0.047 1 700 330 330 PHE CB C 38.429 0.043 1 701 330 330 PHE N N 119.640 0.031 1 702 331 331 ASP H H 7.683 0.004 1 703 331 331 ASP C C 176.758 0.036 1 704 331 331 ASP CA C 57.095 0.028 1 705 331 331 ASP CB C 39.715 0.034 1 706 331 331 ASP N N 120.653 0.018 1 707 332 332 ASP H H 7.894 0.005 1 708 332 332 ASP C C 175.769 0.035 1 709 332 332 ASP CA C 53.514 0.023 1 710 332 332 ASP CB C 41.019 0.028 1 711 332 332 ASP N N 116.930 0.015 1 712 333 333 VAL H H 6.666 0.006 1 713 333 333 VAL C C 175.194 0.022 1 714 333 333 VAL CA C 61.410 0.015 1 715 333 333 VAL CB C 32.469 0.004 1 716 333 333 VAL N N 118.874 0.029 1 717 334 334 ASP H H 8.255 0.004 1 718 334 334 ASP C C 175.347 0.000 1 719 334 334 ASP CA C 54.528 0.039 1 720 334 334 ASP CB C 40.360 0.000 1 721 334 334 ASP N N 124.975 0.012 1 722 348 348 VAL C C 178.032 0.033 1 723 348 348 VAL CA C 65.753 0.009 1 724 348 348 VAL CB C 30.595 0.000 1 725 349 349 LEU H H 7.927 0.003 1 726 349 349 LEU C C 178.850 0.042 1 727 349 349 LEU CA C 56.774 0.070 1 728 349 349 LEU CB C 40.541 0.041 1 729 349 349 LEU N N 118.418 0.024 1 730 350 350 SER H H 7.621 0.003 1 731 350 350 SER C C 174.796 0.016 1 732 350 350 SER CA C 57.986 0.054 1 733 350 350 SER CB C 63.435 0.033 1 734 350 350 SER N N 110.737 0.035 1 735 351 351 PHE H H 7.099 0.005 1 736 351 351 PHE C C 174.101 0.013 1 737 351 351 PHE CA C 59.198 0.029 1 738 351 351 PHE CB C 39.193 0.039 1 739 351 351 PHE N N 123.192 0.032 1 740 352 352 LYS H H 7.776 0.002 1 741 352 352 LYS C C 172.199 0.000 1 742 352 352 LYS CA C 51.930 0.041 1 743 352 352 LYS CB C 32.584 0.000 1 744 352 352 LYS N N 130.280 0.013 1 745 356 356 GLN C C 175.789 0.021 1 746 356 356 GLN CA C 55.275 0.012 1 747 356 356 GLN CB C 28.544 0.000 1 748 357 357 LEU H H 8.340 0.003 1 749 357 357 LEU C C 177.748 0.020 1 750 357 357 LEU CA C 54.936 0.045 1 751 357 357 LEU CB C 41.386 0.018 1 752 357 357 LEU N N 124.745 0.016 1 753 358 358 GLY H H 8.331 0.004 1 754 358 358 GLY C C 173.662 0.019 1 755 358 358 GLY CA C 44.656 0.010 1 756 358 358 GLY N N 109.869 0.009 1 757 359 359 ALA H H 8.039 0.004 1 758 359 359 ALA C C 177.674 0.028 1 759 359 359 ALA CA C 51.972 0.026 1 760 359 359 ALA CB C 18.620 0.010 1 761 359 359 ALA N N 123.880 0.017 1 762 360 360 ARG H H 8.299 0.005 1 763 360 360 ARG C C 176.333 0.035 1 764 360 360 ARG CA C 55.684 0.033 1 765 360 360 ARG CB C 29.745 0.006 1 766 360 360 ARG N N 120.999 0.011 1 767 361 361 VAL H H 8.135 0.004 1 768 361 361 VAL C C 176.085 0.019 1 769 361 361 VAL CA C 61.720 0.013 1 770 361 361 VAL CB C 31.996 0.007 1 771 361 361 VAL N N 121.961 0.012 1 772 362 362 SER H H 8.337 0.004 1 773 362 362 SER C C 174.419 0.023 1 774 362 362 SER CA C 57.739 0.013 1 775 362 362 SER CB C 63.866 0.008 1 776 362 362 SER N N 120.095 0.015 1 777 363 363 LYS H H 8.370 0.003 1 778 363 363 LYS C C 176.403 0.027 1 779 363 363 LYS CA C 55.953 0.031 1 780 363 363 LYS CB C 32.091 0.015 1 781 363 363 LYS N N 123.977 0.035 1 782 364 364 GLU H H 8.369 0.005 1 783 364 364 GLU C C 176.297 0.024 1 784 364 364 GLU CA C 56.048 0.023 1 785 364 364 GLU CB C 29.435 0.000 1 786 364 364 GLU N N 121.965 0.015 1 787 365 365 THR H H 8.141 0.004 1 788 365 365 THR C C 172.657 0.000 1 789 365 365 THR CA C 59.391 0.015 1 790 365 365 THR CB C 69.366 0.000 1 791 365 365 THR N N 118.534 0.011 1 792 366 366 PRO C C 176.004 0.002 1 793 366 366 PRO CA C 62.900 0.019 1 794 366 366 PRO CB C 31.112 0.000 1 795 367 367 LEU H H 7.833 0.004 1 796 367 367 LEU C C 170.584 0.000 1 797 367 367 LEU CA C 56.403 0.004 1 798 367 367 LEU CB C 42.335 0.000 1 799 367 367 LEU N N 128.515 0.014 1 stop_ save_