data_16271 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; A PH domain within OCRL bridges clathrin mediated membrane trafficking to phosphoinositide metabolis ; _BMRB_accession_number 16271 _BMRB_flat_file_name bmr16271.str _Entry_type original _Submission_date 2009-05-03 _Accession_date 2009-05-03 _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 Mao Yuxin . . 2 Balkin Daniel M. . 3 Zoncu Roberto . . 4 Erdmann Kai . . 5 Tomasini Livia . . 6 Hu Fenghua . . 7 Jin Moonsoon M. . 8 Hodsdon Michael E. . 9 'De Camilli' Pietro . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 753 "13C chemical shifts" 424 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-28 update BMRB 'edit entity/assembly name' 2009-07-13 update BMRB 'complete entry citation' 2009-06-25 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A PH domain within OCRL bridges clathrin-mediated membrane trafficking to phosphoinositide metabolism' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19536138 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mao Yuxin . . 2 Balkin Daniel M. . 3 Zoncu Roberto . . 4 Erdmann Kai S. . 5 Tomasini Livia . . 6 Hu Fenghua . . 7 Jin Moonsoon M. . 8 Hodsdon Michael E. . 9 'De Camilli' Pietro . . stop_ _Journal_abbreviation 'EMBO J.' _Journal_volume 28 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1831 _Page_last 1842 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'OCRL bridges clathrin-mediated membrane' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PH domain' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PH domain' _Molecular_mass 41573.961 _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 372 _Mol_residue_sequence ; GPLGSMEPPLPVGAQPLATV EGMEMKGPLREPCALTLAQR NGQYELIIQLHEKEQHVQDI IPINSHFRCVQEAEETLLID IASNSGCKIRVQGDWIRERR FEIPDEEHCLKFLSAVLAAQ KAQSGPLGSMEPPLPVGAQP LATVEGMEMKGPLREPCALT LAQRNGQYELIIQLHEKEQH VQDIIPINSHFRCVQEAEET LLIDIASNSGCKIRVQGDWI RERRFEIPDEEHCLKFLSAV LAAQKAQSGPLGSMEPPLPV GAQPLATVEGMEMKGPLREP CALTLAQRNGQYELIIQLHE KEQHVQDIIPINSHFRCVQE AEETLLIDIASNSGCKIRVQ GDWIRERRFEIPDEEHCLKF LSAVLAAQKAQS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 MET 7 GLU 8 PRO 9 PRO 10 LEU 11 PRO 12 VAL 13 GLY 14 ALA 15 GLN 16 PRO 17 LEU 18 ALA 19 THR 20 VAL 21 GLU 22 GLY 23 MET 24 GLU 25 MET 26 LYS 27 GLY 28 PRO 29 LEU 30 ARG 31 GLU 32 PRO 33 CYS 34 ALA 35 LEU 36 THR 37 LEU 38 ALA 39 GLN 40 ARG 41 ASN 42 GLY 43 GLN 44 TYR 45 GLU 46 LEU 47 ILE 48 ILE 49 GLN 50 LEU 51 HIS 52 GLU 53 LYS 54 GLU 55 GLN 56 HIS 57 VAL 58 GLN 59 ASP 60 ILE 61 ILE 62 PRO 63 ILE 64 ASN 65 SER 66 HIS 67 PHE 68 ARG 69 CYS 70 VAL 71 GLN 72 GLU 73 ALA 74 GLU 75 GLU 76 THR 77 LEU 78 LEU 79 ILE 80 ASP 81 ILE 82 ALA 83 SER 84 ASN 85 SER 86 GLY 87 CYS 88 LYS 89 ILE 90 ARG 91 VAL 92 GLN 93 GLY 94 ASP 95 TRP 96 ILE 97 ARG 98 GLU 99 ARG 100 ARG 101 PHE 102 GLU 103 ILE 104 PRO 105 ASP 106 GLU 107 GLU 108 HIS 109 CYS 110 LEU 111 LYS 112 PHE 113 LEU 114 SER 115 ALA 116 VAL 117 LEU 118 ALA 119 ALA 120 GLN 121 LYS 122 ALA 123 GLN 124 SER 125 GLY 126 PRO 127 LEU 128 GLY 129 SER 130 MET 131 GLU 132 PRO 133 PRO 134 LEU 135 PRO 136 VAL 137 GLY 138 ALA 139 GLN 140 PRO 141 LEU 142 ALA 143 THR 144 VAL 145 GLU 146 GLY 147 MET 148 GLU 149 MET 150 LYS 151 GLY 152 PRO 153 LEU 154 ARG 155 GLU 156 PRO 157 CYS 158 ALA 159 LEU 160 THR 161 LEU 162 ALA 163 GLN 164 ARG 165 ASN 166 GLY 167 GLN 168 TYR 169 GLU 170 LEU 171 ILE 172 ILE 173 GLN 174 LEU 175 HIS 176 GLU 177 LYS 178 GLU 179 GLN 180 HIS 181 VAL 182 GLN 183 ASP 184 ILE 185 ILE 186 PRO 187 ILE 188 ASN 189 SER 190 HIS 191 PHE 192 ARG 193 CYS 194 VAL 195 GLN 196 GLU 197 ALA 198 GLU 199 GLU 200 THR 201 LEU 202 LEU 203 ILE 204 ASP 205 ILE 206 ALA 207 SER 208 ASN 209 SER 210 GLY 211 CYS 212 LYS 213 ILE 214 ARG 215 VAL 216 GLN 217 GLY 218 ASP 219 TRP 220 ILE 221 ARG 222 GLU 223 ARG 224 ARG 225 PHE 226 GLU 227 ILE 228 PRO 229 ASP 230 GLU 231 GLU 232 HIS 233 CYS 234 LEU 235 LYS 236 PHE 237 LEU 238 SER 239 ALA 240 VAL 241 LEU 242 ALA 243 ALA 244 GLN 245 LYS 246 ALA 247 GLN 248 SER 249 GLY 250 PRO 251 LEU 252 GLY 253 SER 254 MET 255 GLU 256 PRO 257 PRO 258 LEU 259 PRO 260 VAL 261 GLY 262 ALA 263 GLN 264 PRO 265 LEU 266 ALA 267 THR 268 VAL 269 GLU 270 GLY 271 MET 272 GLU 273 MET 274 LYS 275 GLY 276 PRO 277 LEU 278 ARG 279 GLU 280 PRO 281 CYS 282 ALA 283 LEU 284 THR 285 LEU 286 ALA 287 GLN 288 ARG 289 ASN 290 GLY 291 GLN 292 TYR 293 GLU 294 LEU 295 ILE 296 ILE 297 GLN 298 LEU 299 HIS 300 GLU 301 LYS 302 GLU 303 GLN 304 HIS 305 VAL 306 GLN 307 ASP 308 ILE 309 ILE 310 PRO 311 ILE 312 ASN 313 SER 314 HIS 315 PHE 316 ARG 317 CYS 318 VAL 319 GLN 320 GLU 321 ALA 322 GLU 323 GLU 324 THR 325 LEU 326 LEU 327 ILE 328 ASP 329 ILE 330 ALA 331 SER 332 ASN 333 SER 334 GLY 335 CYS 336 LYS 337 ILE 338 ARG 339 VAL 340 GLN 341 GLY 342 ASP 343 TRP 344 ILE 345 ARG 346 GLU 347 ARG 348 ARG 349 PHE 350 GLU 351 ILE 352 PRO 353 ASP 354 GLU 355 GLU 356 HIS 357 CYS 358 LEU 359 LYS 360 PHE 361 LEU 362 SER 363 ALA 364 VAL 365 LEU 366 ALA 367 ALA 368 GLN 369 LYS 370 ALA 371 GLN 372 SER 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 $entity 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 $entity 'recombinant technology' . Escherichia coli BL21 pGEX6p-1 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 $entity 1 mM . 'potassium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.4 . 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 H 1 'methyl proton' ppm 0 internal direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 1.0 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 HNCA' '3D HNCACB' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' 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 'PH domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.866 0.002 9 2 1 1 GLY HA3 H 3.519 0.003 9 3 1 1 GLY CA C 43.128 0.035 9 4 2 2 PRO HA H 4.417 0.005 9 5 2 2 PRO HB2 H 2.262 0.006 9 6 2 2 PRO HB3 H 1.901 0.003 9 7 2 2 PRO HD2 H 3.521 0.003 9 8 2 2 PRO HD3 H 3.521 0.003 9 9 2 2 PRO HG2 H 1.960 0.009 9 10 2 2 PRO HG3 H 1.960 0.009 9 11 2 2 PRO CA C 63.168 0.085 9 12 2 2 PRO CB C 32.290 0.038 9 13 2 2 PRO CD C 49.651 0.044 9 14 2 2 PRO CG C 27.042 0.040 9 15 3 3 LEU H H 8.514 0.001 9 16 3 3 LEU HA H 4.268 0.001 9 17 3 3 LEU HB2 H 1.585 0.003 9 18 3 3 LEU HB3 H 1.585 0.003 9 19 3 3 LEU HD1 H 0.824 0.000 9 20 3 3 LEU HD2 H 0.861 0.000 9 21 3 3 LEU HG H 1.597 0.000 9 22 3 3 LEU CA C 55.432 0.022 9 23 3 3 LEU CB C 42.121 0.031 9 24 3 3 LEU CD1 C 23.422 0.035 9 25 3 3 LEU CD2 C 24.812 0.004 9 26 3 3 LEU CG C 27.095 0.017 9 27 3 3 LEU N N 122.136 0.016 9 28 4 4 GLY H H 8.379 0.003 9 29 4 4 GLY HA2 H 3.979 0.003 9 30 4 4 GLY HA3 H 3.877 0.010 9 31 4 4 GLY CA C 45.339 0.005 9 32 4 4 GLY N N 109.871 0.017 9 33 5 5 SER H H 8.142 0.001 9 34 5 5 SER HA H 4.385 0.006 9 35 5 5 SER HB2 H 3.824 0.006 9 36 5 5 SER HB3 H 3.824 0.006 9 37 5 5 SER CA C 58.423 0.050 9 38 5 5 SER CB C 63.868 0.053 9 39 5 5 SER N N 115.654 0.011 9 40 6 6 MET H H 8.370 0.002 9 41 6 6 MET HA H 4.446 0.004 9 42 6 6 MET HB2 H 2.042 0.007 9 43 6 6 MET HB3 H 1.921 0.004 9 44 6 6 MET HG2 H 2.455 0.001 9 45 6 6 MET HG3 H 2.532 0.004 9 46 6 6 MET CA C 55.177 0.016 9 47 6 6 MET CB C 32.910 0.004 9 48 6 6 MET CG C 31.966 0.022 9 49 6 6 MET N N 121.793 0.035 9 50 7 7 GLU H H 8.211 0.003 9 51 7 7 GLU HA H 4.369 0.001 9 52 7 7 GLU HB2 H 1.747 0.004 9 53 7 7 GLU HB3 H 1.897 0.006 9 54 7 7 GLU HG2 H 2.172 0.011 9 55 7 7 GLU HG3 H 2.172 0.011 9 56 7 7 GLU CA C 54.378 0.056 9 57 7 7 GLU CB C 29.434 0.056 9 58 7 7 GLU CG C 36.006 0.036 9 59 7 7 GLU N N 123.061 0.025 9 60 8 8 PRO HA H 4.556 0.004 9 61 8 8 PRO HB2 H 2.178 0.004 9 62 8 8 PRO HB3 H 1.788 0.001 9 63 8 8 PRO HD2 H 3.680 0.008 9 64 8 8 PRO HD3 H 3.542 0.004 9 65 8 8 PRO HG2 H 1.914 0.005 9 66 8 8 PRO HG3 H 1.856 0.002 9 67 8 8 PRO CA C 61.397 0.019 9 68 8 8 PRO CB C 30.808 0.033 9 69 8 8 PRO CD C 50.455 0.060 9 70 8 8 PRO CG C 27.350 0.000 9 71 9 9 PRO HA H 4.394 0.005 9 72 9 9 PRO HB2 H 2.171 0.004 9 73 9 9 PRO HB3 H 1.895 0.008 9 74 9 9 PRO HD2 H 3.544 0.008 9 75 9 9 PRO HD3 H 3.694 0.013 9 76 9 9 PRO HG2 H 1.870 0.001 9 77 9 9 PRO HG3 H 1.870 0.001 9 78 9 9 PRO CA C 62.542 0.060 9 79 9 9 PRO CB C 31.874 0.069 9 80 9 9 PRO CD C 50.296 0.046 9 81 9 9 PRO CG C 27.025 0.036 9 82 10 10 LEU H H 8.122 0.008 9 83 10 10 LEU HA H 4.426 0.004 9 84 10 10 LEU HB2 H 1.235 0.004 9 85 10 10 LEU HB3 H 1.587 0.005 9 86 10 10 LEU HD1 H 0.769 0.006 9 87 10 10 LEU HD2 H 0.794 0.003 9 88 10 10 LEU HG H 1.705 0.008 9 89 10 10 LEU CA C 52.939 0.001 9 90 10 10 LEU CB C 41.823 0.103 9 91 10 10 LEU CD1 C 23.145 0.064 9 92 10 10 LEU CD2 C 25.727 0.044 9 93 10 10 LEU CG C 26.943 0.064 9 94 10 10 LEU N N 121.191 0.022 9 95 11 11 PRO HA H 4.325 0.004 9 96 11 11 PRO HB2 H 1.572 0.004 9 97 11 11 PRO HB3 H 2.226 0.006 9 98 11 11 PRO HD2 H 3.221 0.007 9 99 11 11 PRO HD3 H 3.651 0.022 9 100 11 11 PRO HG2 H 1.888 0.005 9 101 11 11 PRO HG3 H 1.780 0.003 9 102 11 11 PRO CA C 62.707 0.033 9 103 11 11 PRO CB C 31.882 0.042 9 104 11 11 PRO CD C 50.159 0.046 9 105 11 11 PRO CG C 27.698 0.053 9 106 12 12 VAL H H 8.209 0.003 9 107 12 12 VAL HA H 3.749 0.006 9 108 12 12 VAL HB H 1.920 0.004 9 109 12 12 VAL HG1 H 0.898 0.004 9 110 12 12 VAL HG2 H 1.008 0.007 9 111 12 12 VAL CA C 64.129 0.049 9 112 12 12 VAL CB C 31.763 0.058 9 113 12 12 VAL CG1 C 20.696 0.055 9 114 12 12 VAL CG2 C 21.490 0.077 9 115 12 12 VAL N N 122.313 0.024 9 116 13 13 GLY H H 8.737 0.004 9 117 13 13 GLY HA2 H 3.668 0.005 9 118 13 13 GLY HA3 H 4.156 0.006 9 119 13 13 GLY CA C 44.781 0.025 9 120 13 13 GLY N N 114.166 0.025 9 121 14 14 ALA H H 7.916 0.003 9 122 14 14 ALA HA H 4.426 0.003 9 123 14 14 ALA HB H 1.110 0.003 9 124 14 14 ALA CA C 51.578 0.013 9 125 14 14 ALA CB C 19.559 0.043 9 126 14 14 ALA N N 122.190 0.017 9 127 15 15 GLN H H 8.843 0.004 9 128 15 15 GLN HA H 4.872 0.004 9 129 15 15 GLN HB2 H 1.997 0.004 9 130 15 15 GLN HB3 H 2.085 0.005 9 131 15 15 GLN HE21 H 6.792 0.001 9 132 15 15 GLN HE22 H 7.334 0.002 9 133 15 15 GLN HG2 H 2.268 0.005 9 134 15 15 GLN HG3 H 2.268 0.005 9 135 15 15 GLN CA C 52.002 0.081 9 136 15 15 GLN CB C 29.938 0.051 9 137 15 15 GLN CG C 33.162 0.022 9 138 15 15 GLN N N 123.058 0.029 9 139 15 15 GLN NE2 N 111.789 0.138 9 140 16 16 PRO HA H 4.306 0.003 9 141 16 16 PRO HB2 H 1.913 0.003 9 142 16 16 PRO HB3 H 1.913 0.003 9 143 16 16 PRO HD2 H 3.828 0.002 9 144 16 16 PRO HD3 H 3.729 0.003 9 145 16 16 PRO HG2 H 2.207 0.007 9 146 16 16 PRO HG3 H 2.207 0.007 9 147 16 16 PRO CA C 62.914 0.051 9 148 16 16 PRO CB C 32.080 0.046 9 149 16 16 PRO CD C 50.780 0.000 9 150 16 16 PRO CG C 27.221 0.025 9 151 17 17 LEU H H 9.476 0.005 9 152 17 17 LEU HA H 4.495 0.006 9 153 17 17 LEU HB2 H 1.536 0.040 9 154 17 17 LEU HB3 H 1.396 0.005 9 155 17 17 LEU HD1 H 0.837 0.003 9 156 17 17 LEU HD2 H 0.924 0.006 9 157 17 17 LEU HG H 1.724 0.004 9 158 17 17 LEU CA C 55.775 0.059 9 159 17 17 LEU CB C 43.308 0.024 9 160 17 17 LEU CD1 C 23.314 0.028 9 161 17 17 LEU CD2 C 25.608 0.061 9 162 17 17 LEU CG C 27.785 0.050 9 163 17 17 LEU N N 124.151 0.027 9 164 18 18 ALA H H 7.583 0.003 9 165 18 18 ALA HA H 4.611 0.004 9 166 18 18 ALA HB H 1.393 0.002 9 167 18 18 ALA CA C 52.631 0.019 9 168 18 18 ALA CB C 21.565 0.032 9 169 18 18 ALA N N 118.780 0.032 9 170 19 19 THR H H 8.671 0.002 9 171 19 19 THR HA H 5.679 0.009 9 172 19 19 THR HB H 3.829 0.005 9 173 19 19 THR HG2 H 1.041 0.004 9 174 19 19 THR CA C 61.081 0.090 9 175 19 19 THR CB C 71.721 0.059 9 176 19 19 THR CG2 C 20.487 0.172 9 177 19 19 THR N N 118.330 0.028 9 178 20 20 VAL H H 8.770 0.003 9 179 20 20 VAL HA H 4.495 0.003 9 180 20 20 VAL HB H 1.747 0.004 9 181 20 20 VAL HG1 H 0.356 0.004 9 182 20 20 VAL HG2 H 0.306 0.002 9 183 20 20 VAL CA C 59.598 0.154 9 184 20 20 VAL CB C 35.448 0.050 9 185 20 20 VAL CG1 C 20.313 0.060 9 186 20 20 VAL CG2 C 21.812 0.062 9 187 20 20 VAL N N 121.390 0.034 9 188 21 21 GLU H H 8.147 0.009 9 189 21 21 GLU HA H 4.858 0.002 9 190 21 21 GLU HB2 H 2.167 0.001 9 191 21 21 GLU HB3 H 1.888 0.003 9 192 21 21 GLU HG2 H 2.295 0.006 9 193 21 21 GLU HG3 H 2.183 0.011 9 194 21 21 GLU CA C 55.115 0.092 9 195 21 21 GLU CB C 31.577 0.131 9 196 21 21 GLU CG C 36.109 0.144 9 197 21 21 GLU N N 122.494 0.054 9 198 22 22 GLY H H 8.585 0.002 9 199 22 22 GLY HA2 H 3.937 0.006 9 200 22 22 GLY HA3 H 4.495 0.004 9 201 22 22 GLY CA C 46.180 0.040 9 202 22 22 GLY N N 107.556 0.033 9 203 23 23 MET H H 9.129 0.004 9 204 23 23 MET HA H 5.351 0.007 9 205 23 23 MET HB2 H 1.588 0.006 9 206 23 23 MET HB3 H 1.942 0.006 9 207 23 23 MET HE H 2.000 0.000 9 208 23 23 MET HG2 H 2.554 0.027 9 209 23 23 MET HG3 H 2.453 0.005 9 210 23 23 MET CA C 53.678 0.034 9 211 23 23 MET CB C 36.556 0.064 9 212 23 23 MET CE C 18.270 0.000 9 213 23 23 MET CG C 32.435 0.051 9 214 23 23 MET N N 121.032 0.042 9 215 24 24 GLU H H 9.942 0.012 9 216 24 24 GLU HA H 4.489 0.006 9 217 24 24 GLU HB2 H 1.757 0.004 9 218 24 24 GLU HB3 H 2.072 0.003 9 219 24 24 GLU HG2 H 1.847 0.004 9 220 24 24 GLU HG3 H 1.758 0.002 9 221 24 24 GLU CA C 56.277 0.012 9 222 24 24 GLU CB C 29.181 0.020 9 223 24 24 GLU CG C 36.313 0.023 9 224 24 24 GLU N N 125.797 0.027 9 225 25 25 MET H H 8.485 0.006 9 226 25 25 MET HA H 4.655 0.010 9 227 25 25 MET HB2 H 2.009 0.022 9 228 25 25 MET HB3 H 1.812 0.000 9 229 25 25 MET HE H 1.856 0.001 9 230 25 25 MET HG2 H 2.052 0.004 9 231 25 25 MET HG3 H 2.265 0.005 9 232 25 25 MET CA C 55.004 0.085 9 233 25 25 MET CB C 33.381 0.056 9 234 25 25 MET CE C 17.080 0.045 9 235 25 25 MET CG C 31.518 0.045 9 236 25 25 MET N N 125.891 0.028 9 237 26 26 LYS H H 8.231 0.005 9 238 26 26 LYS HA H 4.589 0.005 9 239 26 26 LYS HB2 H 1.689 0.006 9 240 26 26 LYS HB3 H 1.516 0.003 9 241 26 26 LYS HD2 H 1.543 0.005 9 242 26 26 LYS HD3 H 1.543 0.005 9 243 26 26 LYS HE2 H 2.792 0.025 9 244 26 26 LYS HE3 H 2.729 0.006 9 245 26 26 LYS HG2 H 1.196 0.003 9 246 26 26 LYS HG3 H 1.196 0.003 9 247 26 26 LYS CA C 54.318 0.072 9 248 26 26 LYS CB C 32.857 0.032 9 249 26 26 LYS CD C 29.331 0.036 9 250 26 26 LYS CE C 41.875 0.014 9 251 26 26 LYS CG C 24.643 0.049 9 252 26 26 LYS N N 128.274 0.083 9 253 27 27 GLY H H 8.774 0.005 9 254 27 27 GLY HA2 H 4.202 0.003 9 255 27 27 GLY HA3 H 3.535 0.006 9 256 27 27 GLY CA C 45.058 0.014 9 257 27 27 GLY N N 118.123 0.078 9 258 28 28 PRO HA H 4.540 0.007 9 259 28 28 PRO HB2 H 2.206 0.007 9 260 28 28 PRO HB3 H 2.033 0.006 9 261 28 28 PRO HD2 H 3.713 0.006 9 262 28 28 PRO HD3 H 3.960 0.009 9 263 28 28 PRO HG2 H 1.875 0.005 9 264 28 28 PRO HG3 H 2.047 0.006 9 265 28 28 PRO CA C 63.532 0.033 9 266 28 28 PRO CB C 32.334 0.087 9 267 28 28 PRO CD C 50.382 0.089 9 268 28 28 PRO CG C 26.190 0.039 9 269 29 29 LEU H H 7.613 0.004 9 270 29 29 LEU HA H 4.420 0.005 9 271 29 29 LEU HB2 H 1.903 0.003 9 272 29 29 LEU HB3 H 1.568 0.003 9 273 29 29 LEU HD1 H 0.928 0.002 9 274 29 29 LEU HD2 H 0.847 0.003 9 275 29 29 LEU HG H 1.600 0.004 9 276 29 29 LEU CA C 54.558 0.049 9 277 29 29 LEU CB C 42.787 0.071 9 278 29 29 LEU CD1 C 25.017 0.030 9 279 29 29 LEU CD2 C 22.757 0.017 9 280 29 29 LEU CG C 27.300 0.000 9 281 29 29 LEU N N 120.716 0.028 9 282 30 30 ARG H H 8.487 0.004 9 283 30 30 ARG HA H 5.127 0.007 9 284 30 30 ARG HB2 H 1.558 0.005 9 285 30 30 ARG HB3 H 1.743 0.004 9 286 30 30 ARG HD2 H 3.016 0.008 9 287 30 30 ARG HD3 H 3.100 0.009 9 288 30 30 ARG HG2 H 1.415 0.003 9 289 30 30 ARG HG3 H 1.619 0.009 9 290 30 30 ARG CA C 53.833 0.025 9 291 30 30 ARG CB C 32.494 0.036 9 292 30 30 ARG CD C 43.306 0.026 9 293 30 30 ARG CG C 27.001 0.057 9 294 30 30 ARG N N 123.346 0.028 9 295 31 31 GLU H H 8.743 0.006 9 296 31 31 GLU HA H 5.112 0.004 9 297 31 31 GLU HB2 H 1.815 0.007 9 298 31 31 GLU HB3 H 2.053 0.005 9 299 31 31 GLU HG2 H 2.154 0.001 9 300 31 31 GLU HG3 H 2.154 0.001 9 301 31 31 GLU CA C 52.706 0.012 9 302 31 31 GLU CB C 32.428 0.027 9 303 31 31 GLU CG C 35.672 0.028 9 304 31 31 GLU N N 123.481 0.028 9 305 32 32 PRO HA H 5.049 0.006 9 306 32 32 PRO HB2 H 2.488 0.007 9 307 32 32 PRO HB3 H 2.041 0.003 9 308 32 32 PRO HD2 H 3.954 0.005 9 309 32 32 PRO HD3 H 3.954 0.005 9 310 32 32 PRO HG2 H 2.260 0.004 9 311 32 32 PRO HG3 H 2.014 0.007 9 312 32 32 PRO CA C 63.888 0.040 9 313 32 32 PRO CB C 32.810 0.106 9 314 32 32 PRO CD C 51.339 0.029 9 315 32 32 PRO CG C 28.011 0.045 9 316 33 33 CYS H H 8.962 0.012 9 317 33 33 CYS HA H 5.142 0.008 9 318 33 33 CYS HB2 H 2.703 0.011 9 319 33 33 CYS HB3 H 2.910 0.003 9 320 33 33 CYS CA C 56.019 0.081 9 321 33 33 CYS CB C 32.292 0.058 9 322 33 33 CYS N N 118.464 0.055 9 323 34 34 ALA H H 8.485 0.007 9 324 34 34 ALA HA H 5.030 0.006 9 325 34 34 ALA HB H 1.260 0.003 9 326 34 34 ALA CA C 50.837 0.043 9 327 34 34 ALA CB C 21.705 0.063 9 328 34 34 ALA N N 121.415 0.027 9 329 35 35 LEU H H 8.734 0.004 9 330 35 35 LEU HA H 4.945 0.009 9 331 35 35 LEU HB2 H 1.063 0.007 9 332 35 35 LEU HB3 H 0.902 0.005 9 333 35 35 LEU HD1 H 0.019 0.005 9 334 35 35 LEU HD2 H -0.177 0.008 9 335 35 35 LEU HG H 0.931 0.005 9 336 35 35 LEU CA C 54.210 0.033 9 337 35 35 LEU CB C 43.796 0.075 9 338 35 35 LEU CD1 C 24.736 0.041 9 339 35 35 LEU CD2 C 25.185 0.038 9 340 35 35 LEU CG C 27.951 0.055 9 341 35 35 LEU N N 122.352 0.043 9 342 36 36 THR H H 9.087 0.006 9 343 36 36 THR HA H 5.372 0.006 9 344 36 36 THR HB H 3.817 0.004 9 345 36 36 THR HG2 H 1.106 0.009 9 346 36 36 THR CA C 61.501 0.099 9 347 36 36 THR CB C 72.170 0.035 9 348 36 36 THR CG2 C 21.167 0.068 9 349 36 36 THR N N 117.822 0.023 9 350 37 37 LEU H H 9.230 0.009 9 351 37 37 LEU HA H 4.993 0.008 9 352 37 37 LEU HB2 H 1.775 0.007 9 353 37 37 LEU HB3 H 1.025 0.004 9 354 37 37 LEU HD1 H 0.655 0.005 9 355 37 37 LEU HD2 H 0.501 0.004 9 356 37 37 LEU HG H 1.374 0.005 9 357 37 37 LEU CA C 53.638 0.045 9 358 37 37 LEU CB C 43.354 0.061 9 359 37 37 LEU CD1 C 23.621 0.017 9 360 37 37 LEU CD2 C 26.503 0.030 9 361 37 37 LEU CG C 27.607 0.035 9 362 37 37 LEU N N 129.377 0.028 9 363 38 38 ALA H H 9.570 0.006 9 364 38 38 ALA HA H 5.310 0.006 9 365 38 38 ALA HB H 1.092 0.003 9 366 38 38 ALA CA C 50.209 0.017 9 367 38 38 ALA CB C 24.067 0.031 9 368 38 38 ALA N N 131.095 0.034 9 369 39 39 GLN H H 8.319 0.006 9 370 39 39 GLN HA H 4.962 0.004 9 371 39 39 GLN HB2 H 1.531 0.005 9 372 39 39 GLN HB3 H 1.825 0.007 9 373 39 39 GLN HE21 H 6.276 0.003 9 374 39 39 GLN HE22 H 6.569 0.044 9 375 39 39 GLN HG2 H 1.531 0.006 9 376 39 39 GLN HG3 H 1.698 0.006 9 377 39 39 GLN CA C 54.036 0.024 9 378 39 39 GLN CB C 31.835 0.043 9 379 39 39 GLN CG C 33.840 0.040 9 380 39 39 GLN N N 118.695 0.020 9 381 39 39 GLN NE2 N 109.456 0.052 9 382 40 40 ARG H H 8.951 0.007 9 383 40 40 ARG HA H 4.388 0.006 9 384 40 40 ARG HB2 H 1.636 0.006 9 385 40 40 ARG HB3 H 1.229 0.008 9 386 40 40 ARG HD2 H 3.250 0.004 9 387 40 40 ARG HD3 H 2.638 0.006 9 388 40 40 ARG HE H 9.581 0.003 9 389 40 40 ARG HG2 H 1.219 0.008 9 390 40 40 ARG HG3 H 1.113 0.010 9 391 40 40 ARG CA C 56.180 0.003 9 392 40 40 ARG CB C 33.826 0.029 9 393 40 40 ARG CD C 43.483 0.045 9 394 40 40 ARG CG C 27.534 0.065 9 395 40 40 ARG N N 126.821 0.037 9 396 40 40 ARG NE N 119.278 0.000 9 397 41 41 ASN H H 9.638 0.007 9 398 41 41 ASN HA H 4.299 0.005 9 399 41 41 ASN HB2 H 2.719 0.003 9 400 41 41 ASN HB3 H 2.976 0.002 9 401 41 41 ASN HD21 H 6.813 0.006 9 402 41 41 ASN HD22 H 7.703 0.003 9 403 41 41 ASN CA C 54.361 0.058 9 404 41 41 ASN CB C 37.194 0.040 9 405 41 41 ASN N N 126.842 0.034 9 406 41 41 ASN ND2 N 113.060 0.248 9 407 42 42 GLY H H 8.726 0.009 9 408 42 42 GLY HA2 H 4.028 0.008 9 409 42 42 GLY HA3 H 3.391 0.004 9 410 42 42 GLY CA C 45.397 0.036 9 411 42 42 GLY N N 103.853 0.038 9 412 43 43 GLN H H 7.547 0.008 9 413 43 43 GLN HA H 4.545 0.004 9 414 43 43 GLN HB2 H 1.917 0.006 9 415 43 43 GLN HB3 H 2.213 0.016 9 416 43 43 GLN HE21 H 7.601 0.000 9 417 43 43 GLN HE22 H 6.805 0.009 9 418 43 43 GLN HG2 H 2.283 0.010 9 419 43 43 GLN HG3 H 2.283 0.010 9 420 43 43 GLN CA C 53.601 0.022 9 421 43 43 GLN CB C 31.480 0.027 9 422 43 43 GLN CG C 33.521 0.043 9 423 43 43 GLN N N 119.239 0.025 9 424 43 43 GLN NE2 N 112.481 0.033 9 425 44 44 TYR H H 9.093 0.016 9 426 44 44 TYR HA H 5.310 0.006 9 427 44 44 TYR HB2 H 2.623 0.008 9 428 44 44 TYR HB3 H 2.623 0.008 9 429 44 44 TYR HD1 H 6.921 0.005 9 430 44 44 TYR HD2 H 6.921 0.005 9 431 44 44 TYR HE1 H 6.632 0.007 9 432 44 44 TYR HE2 H 6.632 0.007 9 433 44 44 TYR CA C 57.839 0.055 9 434 44 44 TYR CB C 40.598 0.037 9 435 44 44 TYR CD1 C 132.983 0.072 9 436 44 44 TYR CE1 C 118.176 0.007 9 437 44 44 TYR N N 121.010 0.061 9 438 45 45 GLU H H 9.155 0.003 9 439 45 45 GLU HA H 4.678 0.008 9 440 45 45 GLU HB2 H 1.556 0.006 9 441 45 45 GLU HB3 H 1.822 0.009 9 442 45 45 GLU HG2 H 1.839 0.005 9 443 45 45 GLU HG3 H 1.839 0.005 9 444 45 45 GLU CA C 54.569 0.025 9 445 45 45 GLU CB C 33.570 0.032 9 446 45 45 GLU CG C 34.578 0.027 9 447 45 45 GLU N N 119.701 0.035 9 448 46 46 LEU H H 9.019 0.009 9 449 46 46 LEU HA H 5.142 0.004 9 450 46 46 LEU HB2 H 1.094 0.005 9 451 46 46 LEU HB3 H 1.915 0.004 9 452 46 46 LEU HD1 H 0.915 0.004 9 453 46 46 LEU HD2 H 0.929 0.004 9 454 46 46 LEU HG H 1.431 0.004 9 455 46 46 LEU CA C 53.002 0.090 9 456 46 46 LEU CB C 44.752 0.066 9 457 46 46 LEU CD1 C 24.272 0.031 9 458 46 46 LEU CD2 C 26.612 0.042 9 459 46 46 LEU CG C 27.570 0.094 9 460 46 46 LEU N N 122.715 0.024 9 461 47 47 ILE H H 9.563 0.006 9 462 47 47 ILE HA H 4.765 0.007 9 463 47 47 ILE HB H 1.660 0.006 9 464 47 47 ILE HD1 H 0.685 0.006 9 465 47 47 ILE HG12 H 0.897 0.001 9 466 47 47 ILE HG13 H 1.446 0.003 9 467 47 47 ILE HG2 H 0.674 0.004 9 468 47 47 ILE CA C 60.557 0.099 9 469 47 47 ILE CB C 39.671 0.092 9 470 47 47 ILE CD1 C 14.456 0.085 9 471 47 47 ILE CG1 C 28.209 0.060 9 472 47 47 ILE CG2 C 17.787 0.048 9 473 47 47 ILE N N 126.751 0.035 9 474 48 48 ILE H H 9.148 0.008 9 475 48 48 ILE HA H 4.598 0.004 9 476 48 48 ILE HB H 1.868 0.003 9 477 48 48 ILE HD1 H 0.679 0.002 9 478 48 48 ILE HG12 H 0.844 0.003 9 479 48 48 ILE HG13 H 1.377 0.002 9 480 48 48 ILE HG2 H 0.791 0.003 9 481 48 48 ILE CA C 60.445 0.058 9 482 48 48 ILE CB C 39.440 0.052 9 483 48 48 ILE CD1 C 13.948 0.044 9 484 48 48 ILE CG1 C 27.161 0.047 9 485 48 48 ILE CG2 C 18.058 0.040 9 486 48 48 ILE N N 128.456 0.053 9 487 49 49 GLN H H 8.873 0.004 9 488 49 49 GLN HA H 4.974 0.008 9 489 49 49 GLN HB2 H 1.896 0.002 9 490 49 49 GLN HB3 H 1.896 0.002 9 491 49 49 GLN HE21 H 7.638 0.006 9 492 49 49 GLN HE22 H 6.742 0.006 9 493 49 49 GLN HG2 H 2.005 0.006 9 494 49 49 GLN HG3 H 2.210 0.004 9 495 49 49 GLN CA C 54.098 0.046 9 496 49 49 GLN CB C 31.882 0.005 9 497 49 49 GLN CG C 34.046 0.034 9 498 49 49 GLN N N 127.024 0.037 9 499 49 49 GLN NE2 N 112.576 0.052 9 500 50 50 LEU H H 8.794 0.005 9 501 50 50 LEU HA H 4.546 0.011 9 502 50 50 LEU HB2 H 1.725 0.003 9 503 50 50 LEU HB3 H 1.599 0.008 9 504 50 50 LEU HD1 H 0.874 0.003 9 505 50 50 LEU HD2 H 0.882 0.006 9 506 50 50 LEU HG H 1.600 0.006 9 507 50 50 LEU CA C 55.034 0.034 9 508 50 50 LEU CB C 43.069 0.036 9 509 50 50 LEU CD1 C 24.176 0.051 9 510 50 50 LEU CD2 C 25.150 0.038 9 511 50 50 LEU CG C 28.065 0.058 9 512 50 50 LEU N N 127.206 0.024 9 513 51 51 HIS H H 8.312 0.005 9 514 51 51 HIS HA H 4.947 0.004 9 515 51 51 HIS HB2 H 2.959 0.009 9 516 51 51 HIS HB3 H 3.180 0.010 9 517 51 51 HIS HD2 H 6.847 0.005 9 518 51 51 HIS HE1 H 8.213 0.005 9 519 51 51 HIS CA C 55.280 0.056 9 520 51 51 HIS CB C 30.241 0.046 9 521 51 51 HIS CD2 C 119.318 0.020 9 522 51 51 HIS CE1 C 137.479 0.028 9 523 51 51 HIS N N 121.293 0.032 9 524 52 52 GLU H H 8.540 0.004 9 525 52 52 GLU HA H 4.313 0.005 9 526 52 52 GLU HB2 H 1.981 0.000 9 527 52 52 GLU HB3 H 1.981 0.000 9 528 52 52 GLU HG2 H 2.161 0.000 9 529 52 52 GLU HG3 H 2.161 0.000 9 530 52 52 GLU CA C 56.302 0.009 9 531 52 52 GLU CB C 30.175 0.034 9 532 52 52 GLU CG C 36.436 0.000 9 533 52 52 GLU N N 120.311 0.049 9 534 53 53 LYS H H 8.234 0.004 9 535 53 53 LYS HA H 4.147 0.002 9 536 53 53 LYS HB2 H 1.829 0.005 9 537 53 53 LYS HB3 H 1.829 0.005 9 538 53 53 LYS HD2 H 1.662 0.005 9 539 53 53 LYS HD3 H 1.662 0.005 9 540 53 53 LYS HE2 H 2.972 0.001 9 541 53 53 LYS HE3 H 2.972 0.001 9 542 53 53 LYS HG2 H 1.415 0.001 9 543 53 53 LYS HG3 H 1.415 0.001 9 544 53 53 LYS CA C 56.877 0.023 9 545 53 53 LYS CB C 32.725 0.039 9 546 53 53 LYS CD C 28.920 0.080 9 547 53 53 LYS CE C 42.249 0.000 9 548 53 53 LYS CG C 25.010 0.057 9 549 53 53 LYS N N 120.916 0.021 9 550 54 54 GLU H H 8.465 0.002 9 551 54 54 GLU HA H 4.127 0.006 9 552 54 54 GLU HB2 H 2.082 0.003 9 553 54 54 GLU HB3 H 1.944 0.004 9 554 54 54 GLU HG2 H 2.177 0.005 9 555 54 54 GLU HG3 H 2.222 0.004 9 556 54 54 GLU CA C 57.184 0.025 9 557 54 54 GLU CB C 29.614 0.031 9 558 54 54 GLU CG C 36.490 0.062 9 559 54 54 GLU N N 117.859 0.052 9 560 55 55 GLN H H 7.997 0.005 9 561 55 55 GLN HA H 4.330 0.011 9 562 55 55 GLN HB2 H 2.051 0.001 9 563 55 55 GLN HB3 H 1.927 0.005 9 564 55 55 GLN HE21 H 6.775 0.002 9 565 55 55 GLN HE22 H 7.508 0.007 9 566 55 55 GLN HG2 H 2.259 0.004 9 567 55 55 GLN HG3 H 2.259 0.004 9 568 55 55 GLN CA C 55.520 0.045 9 569 55 55 GLN CB C 30.068 0.068 9 570 55 55 GLN CG C 33.681 0.021 9 571 55 55 GLN N N 118.109 0.025 9 572 55 55 GLN NE2 N 112.151 0.039 9 573 56 56 HIS H H 8.491 0.007 9 574 56 56 HIS HA H 4.797 0.001 9 575 56 56 HIS HB2 H 3.039 0.004 9 576 56 56 HIS HB3 H 3.109 0.004 9 577 56 56 HIS HD2 H 7.010 0.005 9 578 56 56 HIS CA C 55.959 0.078 9 579 56 56 HIS CB C 30.374 0.082 9 580 56 56 HIS CD2 C 119.651 0.089 9 581 56 56 HIS N N 120.426 0.099 9 582 57 57 VAL H H 8.258 0.008 9 583 57 57 VAL HA H 4.129 0.008 9 584 57 57 VAL HB H 2.002 0.006 9 585 57 57 VAL HG1 H 0.844 0.003 9 586 57 57 VAL HG2 H 0.877 0.004 9 587 57 57 VAL CA C 62.239 0.053 9 588 57 57 VAL CB C 33.765 0.058 9 589 57 57 VAL CG1 C 20.579 0.091 9 590 57 57 VAL CG2 C 21.304 0.085 9 591 57 57 VAL N N 122.212 0.028 9 592 58 58 GLN H H 8.513 0.005 9 593 58 58 GLN HA H 4.908 0.005 9 594 58 58 GLN HB2 H 1.893 0.010 9 595 58 58 GLN HB3 H 1.893 0.010 9 596 58 58 GLN HE21 H 6.651 0.006 9 597 58 58 GLN HE22 H 7.429 0.001 9 598 58 58 GLN HG2 H 2.082 0.004 9 599 58 58 GLN HG3 H 1.948 0.010 9 600 58 58 GLN CA C 54.994 0.067 9 601 58 58 GLN CB C 31.467 0.123 9 602 58 58 GLN CG C 34.833 0.013 9 603 58 58 GLN N N 124.879 0.050 9 604 58 58 GLN NE2 N 109.952 0.057 9 605 59 59 ASP H H 8.683 0.008 9 606 59 59 ASP HA H 4.971 0.006 9 607 59 59 ASP HB2 H 2.433 0.006 9 608 59 59 ASP HB3 H 2.680 0.011 9 609 59 59 ASP CA C 53.644 0.056 9 610 59 59 ASP CB C 43.734 0.029 9 611 59 59 ASP N N 124.794 0.030 9 612 60 60 ILE H H 8.297 0.006 9 613 60 60 ILE HA H 4.636 0.004 9 614 60 60 ILE HB H 1.659 0.005 9 615 60 60 ILE HD1 H 0.737 0.006 9 616 60 60 ILE HG12 H 0.825 0.007 9 617 60 60 ILE HG13 H 1.461 0.004 9 618 60 60 ILE HG2 H 0.583 0.004 9 619 60 60 ILE CA C 61.006 0.092 9 620 60 60 ILE CB C 39.718 0.065 9 621 60 60 ILE CD1 C 13.710 0.038 9 622 60 60 ILE CG1 C 27.721 0.043 9 623 60 60 ILE CG2 C 17.967 0.040 9 624 60 60 ILE N N 121.515 0.032 9 625 61 61 ILE H H 9.531 0.003 9 626 61 61 ILE HA H 4.796 0.001 9 627 61 61 ILE HB H 1.978 0.003 9 628 61 61 ILE HD1 H 0.745 0.004 9 629 61 61 ILE HG12 H 1.444 0.008 9 630 61 61 ILE HG13 H 1.135 0.003 9 631 61 61 ILE HG2 H 1.079 0.006 9 632 61 61 ILE CA C 57.783 0.062 9 633 61 61 ILE CB C 40.942 0.066 9 634 61 61 ILE CD1 C 14.370 0.029 9 635 61 61 ILE CG2 C 17.690 0.016 9 636 61 61 ILE N N 129.728 0.050 9 637 62 62 PRO HA H 4.373 0.011 9 638 62 62 PRO HB2 H 1.841 0.007 9 639 62 62 PRO HB3 H 2.380 0.009 9 640 62 62 PRO HD2 H 3.947 0.004 9 641 62 62 PRO HD3 H 3.947 0.004 9 642 62 62 PRO HG2 H 2.103 0.005 9 643 62 62 PRO HG3 H 2.258 0.011 9 644 62 62 PRO CA C 63.023 0.037 9 645 62 62 PRO CB C 32.271 0.065 9 646 62 62 PRO CD C 51.254 0.061 9 647 62 62 PRO CG C 27.454 0.165 9 648 63 63 ILE H H 8.010 0.005 9 649 63 63 ILE HA H 3.422 0.009 9 650 63 63 ILE HB H 1.413 0.005 9 651 63 63 ILE HD1 H 0.059 0.005 9 652 63 63 ILE HG12 H 0.800 0.007 9 653 63 63 ILE HG13 H -0.881 0.009 9 654 63 63 ILE HG2 H 0.373 0.004 9 655 63 63 ILE CA C 61.447 0.087 9 656 63 63 ILE CB C 35.064 0.095 9 657 63 63 ILE CD1 C 13.246 0.017 9 658 63 63 ILE CG1 C 26.214 0.081 9 659 63 63 ILE CG2 C 16.078 0.048 9 660 63 63 ILE N N 122.639 0.049 9 661 64 64 ASN H H 6.821 0.003 9 662 64 64 ASN HA H 4.954 0.004 9 663 64 64 ASN HB2 H 3.013 0.005 9 664 64 64 ASN HB3 H 3.448 0.006 9 665 64 64 ASN HD21 H 7.664 0.010 9 666 64 64 ASN HD22 H 7.989 0.007 9 667 64 64 ASN CA C 51.257 0.043 9 668 64 64 ASN CB C 38.979 0.009 9 669 64 64 ASN N N 124.816 0.037 9 670 64 64 ASN ND2 N 115.035 0.053 9 671 65 65 SER HA H 4.282 0.005 9 672 65 65 SER HB2 H 3.920 0.004 9 673 65 65 SER HB3 H 3.920 0.004 9 674 65 65 SER CA C 61.429 0.036 9 675 65 65 SER CB C 62.840 0.002 9 676 66 66 HIS H H 7.866 0.004 9 677 66 66 HIS HA H 4.769 0.002 9 678 66 66 HIS HB2 H 3.236 0.006 9 679 66 66 HIS HB3 H 3.010 0.003 9 680 66 66 HIS HD2 H 7.003 0.003 9 681 66 66 HIS HE1 H 8.093 0.006 9 682 66 66 HIS CA C 54.237 0.040 9 683 66 66 HIS CB C 29.577 0.092 9 684 66 66 HIS CD2 C 119.053 0.031 9 685 66 66 HIS CE1 C 138.137 0.062 9 686 66 66 HIS N N 118.374 0.044 9 687 67 67 PHE H H 7.686 0.003 9 688 67 67 PHE HA H 5.023 0.007 9 689 67 67 PHE HB2 H 3.325 0.005 9 690 67 67 PHE HB3 H 3.449 0.003 9 691 67 67 PHE HD1 H 7.115 0.005 9 692 67 67 PHE HD2 H 7.115 0.005 9 693 67 67 PHE HE1 H 6.918 0.003 9 694 67 67 PHE HE2 H 6.918 0.003 9 695 67 67 PHE HZ H 6.829 0.003 9 696 67 67 PHE CA C 58.010 0.062 9 697 67 67 PHE CB C 41.013 0.042 9 698 67 67 PHE CD1 C 133.071 0.028 9 699 67 67 PHE CE1 C 130.810 0.073 9 700 67 67 PHE CZ C 128.018 0.024 9 701 67 67 PHE N N 121.803 0.027 9 702 68 68 ARG H H 8.206 0.004 9 703 68 68 ARG HA H 4.331 0.009 9 704 68 68 ARG HB2 H 1.490 0.005 9 705 68 68 ARG HB3 H 1.490 0.005 9 706 68 68 ARG HD2 H 3.148 0.006 9 707 68 68 ARG HD3 H 2.999 0.008 9 708 68 68 ARG HG2 H 1.414 0.004 9 709 68 68 ARG HG3 H 1.414 0.004 9 710 68 68 ARG CA C 54.592 0.012 9 711 68 68 ARG CB C 34.246 0.029 9 712 68 68 ARG CD C 43.264 0.043 9 713 68 68 ARG CG C 26.854 0.084 9 714 68 68 ARG N N 127.396 0.030 9 715 69 69 CYS H H 8.413 0.006 9 716 69 69 CYS HA H 5.110 0.004 9 717 69 69 CYS HB2 H 2.471 0.013 9 718 69 69 CYS HB3 H 2.676 0.006 9 719 69 69 CYS CA C 57.849 0.112 9 720 69 69 CYS CB C 28.023 0.028 9 721 69 69 CYS N N 123.291 0.032 9 722 70 70 VAL H H 8.667 0.004 9 723 70 70 VAL HA H 4.586 0.003 9 724 70 70 VAL HB H 2.006 0.005 9 725 70 70 VAL HG1 H 0.789 0.001 9 726 70 70 VAL HG2 H 0.854 0.007 9 727 70 70 VAL CA C 59.611 0.089 9 728 70 70 VAL CB C 36.020 0.050 9 729 70 70 VAL CG1 C 19.609 0.034 9 730 70 70 VAL CG2 C 21.197 0.048 9 731 70 70 VAL N N 123.316 0.028 9 732 71 71 GLN H H 8.816 0.010 9 733 71 71 GLN HA H 4.812 0.005 9 734 71 71 GLN HB2 H 1.869 0.005 9 735 71 71 GLN HB3 H 2.016 0.008 9 736 71 71 GLN HE21 H 6.741 0.003 9 737 71 71 GLN HE22 H 7.433 0.003 9 738 71 71 GLN HG2 H 2.392 0.005 9 739 71 71 GLN HG3 H 2.392 0.005 9 740 71 71 GLN CA C 55.446 0.014 9 741 71 71 GLN CB C 29.154 0.013 9 742 71 71 GLN CG C 33.955 0.032 9 743 71 71 GLN N N 124.256 0.040 9 744 71 71 GLN NE2 N 109.574 0.038 9 745 72 72 GLU H H 8.721 0.005 9 746 72 72 GLU HA H 4.216 0.002 9 747 72 72 GLU HB2 H 1.773 0.005 9 748 72 72 GLU HB3 H 1.929 0.002 9 749 72 72 GLU HG2 H 2.066 0.004 9 750 72 72 GLU HG3 H 2.066 0.004 9 751 72 72 GLU CA C 56.615 0.080 9 752 72 72 GLU CB C 30.839 0.028 9 753 72 72 GLU CG C 36.617 0.005 9 754 72 72 GLU N N 127.195 0.035 9 755 73 73 ALA H H 8.463 0.003 9 756 73 73 ALA HA H 4.386 0.004 9 757 73 73 ALA HB H 1.332 0.004 9 758 73 73 ALA CA C 51.936 0.067 9 759 73 73 ALA CB C 19.603 0.038 9 760 73 73 ALA N N 126.878 0.038 9 761 74 74 GLU H H 8.482 0.004 9 762 74 74 GLU HA H 4.239 0.001 9 763 74 74 GLU HB2 H 2.016 0.006 9 764 74 74 GLU HB3 H 1.887 0.003 9 765 74 74 GLU HG2 H 2.220 0.004 9 766 74 74 GLU HG3 H 2.220 0.004 9 767 74 74 GLU CA C 56.487 0.043 9 768 74 74 GLU CB C 30.428 0.148 9 769 74 74 GLU CG C 36.264 0.057 9 770 74 74 GLU N N 121.327 0.019 9 771 74 74 GLU C C 176.580 0.000 9 772 75 75 GLU H H 8.624 0.003 9 773 75 75 GLU HA H 4.254 0.007 9 774 75 75 GLU HB2 H 2.021 0.006 9 775 75 75 GLU HB3 H 1.904 0.002 9 776 75 75 GLU HG2 H 2.225 0.009 9 777 75 75 GLU HG3 H 2.225 0.009 9 778 75 75 GLU CA C 56.817 0.046 9 779 75 75 GLU CB C 30.283 0.019 9 780 75 75 GLU CG C 36.321 0.017 9 781 75 75 GLU N N 122.708 0.016 9 782 75 75 GLU C C 176.582 0.000 9 783 76 76 THR H H 8.106 0.003 9 784 76 76 THR HA H 4.239 0.003 9 785 76 76 THR HB H 4.134 0.001 9 786 76 76 THR HG2 H 1.142 0.005 9 787 76 76 THR CA C 62.157 0.082 9 788 76 76 THR CB C 69.603 0.024 9 789 76 76 THR CG2 C 21.550 0.105 9 790 76 76 THR N N 115.188 0.015 9 791 76 76 THR C C 174.224 0.000 9 792 77 77 LEU H H 8.211 0.005 9 793 77 77 LEU HA H 4.275 0.002 9 794 77 77 LEU HB2 H 1.542 0.004 9 795 77 77 LEU HB3 H 1.622 0.000 9 796 77 77 LEU HD1 H 0.812 0.000 9 797 77 77 LEU HD2 H 0.868 0.000 9 798 77 77 LEU HG H 1.568 0.000 9 799 77 77 LEU CA C 55.328 0.011 9 800 77 77 LEU CB C 42.372 0.014 9 801 77 77 LEU CD1 C 23.504 0.000 9 802 77 77 LEU CD2 C 24.864 0.000 9 803 77 77 LEU CG C 27.112 0.000 9 804 77 77 LEU N N 124.182 0.027 9 805 78 78 LEU H H 8.113 0.003 9 806 78 78 LEU HA H 4.317 0.000 9 807 78 78 LEU HB2 H 1.613 0.001 9 808 78 78 LEU HB3 H 1.535 0.003 9 809 78 78 LEU HD1 H 0.822 0.000 9 810 78 78 LEU HD2 H 0.873 0.000 9 811 78 78 LEU HG H 1.531 0.000 9 812 78 78 LEU CA C 55.104 0.019 9 813 78 78 LEU CB C 42.016 0.013 9 814 78 78 LEU CD1 C 23.355 0.000 9 815 78 78 LEU CD2 C 24.994 0.000 9 816 78 78 LEU CG C 27.098 0.000 9 817 78 78 LEU N N 122.186 0.022 9 818 79 79 ILE H H 7.809 0.011 9 819 79 79 ILE HA H 4.097 0.006 9 820 79 79 ILE HB H 1.814 0.004 9 821 79 79 ILE HD1 H 0.809 0.003 9 822 79 79 ILE HG12 H 1.112 0.007 9 823 79 79 ILE HG13 H 1.383 0.004 9 824 79 79 ILE HG2 H 0.841 0.004 9 825 79 79 ILE CA C 61.402 0.060 9 826 79 79 ILE CB C 38.868 0.131 9 827 79 79 ILE CD1 C 13.070 0.033 9 828 79 79 ILE CG1 C 27.198 0.030 9 829 79 79 ILE CG2 C 17.499 0.025 9 830 79 79 ILE N N 119.634 0.018 9 831 80 80 ASP H H 8.231 0.003 9 832 80 80 ASP HA H 4.572 0.004 9 833 80 80 ASP HB2 H 2.568 0.007 9 834 80 80 ASP HB3 H 2.694 0.005 9 835 80 80 ASP CA C 54.276 0.067 9 836 80 80 ASP CB C 41.100 0.060 9 837 80 80 ASP N N 122.552 0.037 9 838 81 81 ILE H H 7.894 0.005 9 839 81 81 ILE HA H 4.101 0.003 9 840 81 81 ILE HB H 1.874 0.004 9 841 81 81 ILE HD1 H 0.831 0.007 9 842 81 81 ILE HG12 H 1.155 0.010 9 843 81 81 ILE HG13 H 1.392 0.006 9 844 81 81 ILE HG2 H 0.879 0.004 9 845 81 81 ILE CA C 61.656 0.085 9 846 81 81 ILE CB C 38.849 0.064 9 847 81 81 ILE CD1 C 13.248 0.023 9 848 81 81 ILE CG1 C 27.215 0.023 9 849 81 81 ILE CG2 C 17.558 0.061 9 850 81 81 ILE N N 120.163 0.025 9 851 82 82 ALA H H 8.268 0.007 9 852 82 82 ALA HA H 4.309 0.003 9 853 82 82 ALA HB H 1.368 0.003 9 854 82 82 ALA CA C 52.658 0.045 9 855 82 82 ALA CB C 19.150 0.051 9 856 82 82 ALA N N 126.176 0.027 9 857 83 83 SER H H 8.060 0.003 9 858 83 83 SER HA H 4.396 0.002 9 859 83 83 SER HB2 H 3.832 0.003 9 860 83 83 SER HB3 H 3.832 0.003 9 861 83 83 SER CA C 58.361 0.039 9 862 83 83 SER CB C 63.839 0.024 9 863 83 83 SER N N 114.321 0.019 9 864 84 84 ASN H H 8.376 0.002 9 865 84 84 ASN HA H 4.775 0.003 9 866 84 84 ASN HB2 H 2.734 0.004 9 867 84 84 ASN HB3 H 2.850 0.005 9 868 84 84 ASN HD21 H 6.907 0.005 9 869 84 84 ASN HD22 H 7.634 0.003 9 870 84 84 ASN CA C 53.308 0.058 9 871 84 84 ASN CB C 39.221 0.025 9 872 84 84 ASN N N 120.773 0.031 9 873 84 84 ASN ND2 N 113.051 0.239 9 874 85 85 SER H H 8.289 0.003 9 875 85 85 SER HA H 4.501 0.001 9 876 85 85 SER HB2 H 3.886 0.004 9 877 85 85 SER HB3 H 3.830 0.001 9 878 85 85 SER CA C 58.431 0.076 9 879 85 85 SER CB C 64.271 0.044 9 880 85 85 SER N N 116.250 0.017 9 881 86 86 GLY H H 8.450 0.004 9 882 86 86 GLY HA2 H 4.251 0.006 9 883 86 86 GLY HA3 H 3.714 0.004 9 884 86 86 GLY CA C 45.250 0.030 9 885 86 86 GLY N N 110.181 0.027 9 886 87 87 CYS H H 8.695 0.004 9 887 87 87 CYS HA H 4.909 0.003 9 888 87 87 CYS HB2 H 3.364 0.005 9 889 87 87 CYS HB3 H 3.168 0.002 9 890 87 87 CYS CA C 54.731 0.135 9 891 87 87 CYS CB C 45.521 0.004 9 892 87 87 CYS N N 118.094 0.025 9 893 88 88 LYS H H 8.870 0.006 9 894 88 88 LYS HA H 5.396 0.008 9 895 88 88 LYS HB2 H 1.704 0.004 9 896 88 88 LYS HB3 H 1.704 0.004 9 897 88 88 LYS HD2 H 1.551 0.002 9 898 88 88 LYS HD3 H 1.551 0.002 9 899 88 88 LYS HE2 H 2.895 0.018 9 900 88 88 LYS HE3 H 2.842 0.001 9 901 88 88 LYS HG2 H 1.475 0.004 9 902 88 88 LYS HG3 H 1.312 0.007 9 903 88 88 LYS CA C 55.629 0.091 9 904 88 88 LYS CB C 34.906 0.042 9 905 88 88 LYS CD C 29.528 0.072 9 906 88 88 LYS CE C 42.090 0.000 9 907 88 88 LYS CG C 25.817 0.121 9 908 88 88 LYS N N 124.133 0.037 9 909 89 89 ILE H H 9.132 0.005 9 910 89 89 ILE HA H 5.353 0.004 9 911 89 89 ILE HB H 1.722 0.005 9 912 89 89 ILE HD1 H 0.648 0.003 9 913 89 89 ILE HG12 H 1.590 0.004 9 914 89 89 ILE HG13 H 0.998 0.005 9 915 89 89 ILE HG2 H 0.802 0.004 9 916 89 89 ILE CA C 58.774 0.039 9 917 89 89 ILE CB C 42.647 0.036 9 918 89 89 ILE CD1 C 13.011 0.068 9 919 89 89 ILE CG1 C 26.716 0.040 9 920 89 89 ILE CG2 C 18.117 0.025 9 921 89 89 ILE N N 116.289 0.026 9 922 90 90 ARG H H 9.099 0.006 9 923 90 90 ARG HA H 5.299 0.005 9 924 90 90 ARG HB2 H 1.673 0.006 9 925 90 90 ARG HB3 H 1.673 0.006 9 926 90 90 ARG HD2 H 3.039 0.006 9 927 90 90 ARG HD3 H 3.039 0.006 9 928 90 90 ARG HE H 7.746 0.006 9 929 90 90 ARG HG2 H 1.465 0.000 9 930 90 90 ARG HG3 H 1.465 0.000 9 931 90 90 ARG CA C 54.479 0.028 9 932 90 90 ARG CB C 33.439 0.084 9 933 90 90 ARG CD C 43.624 0.005 9 934 90 90 ARG CG C 27.614 0.016 9 935 90 90 ARG N N 122.978 0.037 9 936 90 90 ARG NE N 119.245 0.045 9 937 91 91 VAL H H 9.316 0.004 9 938 91 91 VAL HA H 4.857 0.009 9 939 91 91 VAL HB H 1.888 0.005 9 940 91 91 VAL HG1 H 0.802 0.002 9 941 91 91 VAL HG2 H 0.913 0.002 9 942 91 91 VAL CA C 60.581 0.074 9 943 91 91 VAL CB C 35.419 0.063 9 944 91 91 VAL CG1 C 21.752 0.014 9 945 91 91 VAL CG2 C 21.872 0.142 9 946 91 91 VAL N N 124.286 0.026 9 947 92 92 GLN H H 8.492 0.007 9 948 92 92 GLN HA H 4.325 0.004 9 949 92 92 GLN HB2 H 1.751 0.001 9 950 92 92 GLN HB3 H 1.909 0.003 9 951 92 92 GLN HE21 H 6.692 0.002 9 952 92 92 GLN HE22 H 7.590 0.002 9 953 92 92 GLN HG2 H 2.231 0.008 9 954 92 92 GLN HG3 H 2.407 0.003 9 955 92 92 GLN CA C 54.805 0.034 9 956 92 92 GLN CB C 33.035 0.013 9 957 92 92 GLN CG C 33.877 0.032 9 958 92 92 GLN N N 123.420 0.042 9 959 92 92 GLN NE2 N 110.815 0.276 9 960 93 93 GLY H H 7.060 0.003 9 961 93 93 GLY HA2 H 3.836 0.004 9 962 93 93 GLY HA3 H 4.009 0.001 9 963 93 93 GLY CA C 45.079 0.024 9 964 93 93 GLY N N 105.562 0.029 9 965 94 94 ASP H H 9.458 0.003 9 966 94 94 ASP HA H 3.884 0.004 9 967 94 94 ASP HB2 H 1.982 0.006 9 968 94 94 ASP HB3 H 0.409 0.005 9 969 94 94 ASP CA C 48.958 0.049 9 970 94 94 ASP CB C 38.698 0.035 9 971 94 94 ASP N N 124.400 0.046 9 972 95 95 TRP H H 7.911 0.004 9 973 95 95 TRP HA H 5.178 0.007 9 974 95 95 TRP HB2 H 3.352 0.005 9 975 95 95 TRP HB3 H 3.022 0.008 9 976 95 95 TRP HD1 H 7.267 0.004 9 977 95 95 TRP HE1 H 10.131 0.003 9 978 95 95 TRP HE3 H 7.650 0.002 9 979 95 95 TRP HH2 H 7.199 0.002 9 980 95 95 TRP HZ2 H 7.454 0.008 9 981 95 95 TRP HZ3 H 7.088 0.005 9 982 95 95 TRP CA C 59.743 0.103 9 983 95 95 TRP CB C 29.066 0.057 9 984 95 95 TRP CD1 C 127.371 0.057 9 985 95 95 TRP CE3 C 120.757 0.000 9 986 95 95 TRP CH2 C 124.713 0.016 9 987 95 95 TRP CZ2 C 114.605 0.007 9 988 95 95 TRP CZ3 C 122.511 0.010 9 989 95 95 TRP N N 128.757 0.029 9 990 95 95 TRP NE1 N 128.182 0.034 9 991 96 96 ILE H H 8.626 0.005 9 992 96 96 ILE HA H 4.753 0.004 9 993 96 96 ILE HB H 2.175 0.004 9 994 96 96 ILE HD1 H 0.773 0.003 9 995 96 96 ILE HG12 H 1.474 0.001 9 996 96 96 ILE HG2 H 0.927 0.002 9 997 96 96 ILE CA C 59.903 0.036 9 998 96 96 ILE CB C 41.608 0.022 9 999 96 96 ILE CD1 C 14.033 0.033 9 1000 96 96 ILE CG2 C 18.585 0.030 9 1001 96 96 ILE N N 115.405 0.039 9 1002 97 97 ARG H H 8.185 0.005 9 1003 97 97 ARG HA H 4.453 0.002 9 1004 97 97 ARG HB2 H 1.752 0.003 9 1005 97 97 ARG HB3 H 1.880 0.003 9 1006 97 97 ARG HD2 H 3.203 0.005 9 1007 97 97 ARG HD3 H 3.203 0.005 9 1008 97 97 ARG HG2 H 1.641 0.012 9 1009 97 97 ARG HG3 H 1.641 0.012 9 1010 97 97 ARG CA C 55.700 0.031 9 1011 97 97 ARG CB C 30.778 0.121 9 1012 97 97 ARG CD C 43.314 0.023 9 1013 97 97 ARG CG C 27.216 0.063 9 1014 97 97 ARG N N 121.228 0.062 9 1015 98 98 GLU H H 8.013 0.004 9 1016 98 98 GLU HA H 4.587 0.001 9 1017 98 98 GLU HB2 H 1.933 0.007 9 1018 98 98 GLU HB3 H 1.933 0.007 9 1019 98 98 GLU HG2 H 2.099 0.014 9 1020 98 98 GLU HG3 H 1.995 0.001 9 1021 98 98 GLU CA C 57.339 0.156 9 1022 98 98 GLU CB C 30.817 0.017 9 1023 98 98 GLU CG C 37.056 0.022 9 1024 98 98 GLU N N 117.732 0.027 9 1025 99 99 ARG H H 8.757 0.003 9 1026 99 99 ARG HA H 4.633 0.006 9 1027 99 99 ARG HB2 H 1.255 0.008 9 1028 99 99 ARG HB3 H 1.846 0.008 9 1029 99 99 ARG HD2 H 3.253 0.011 9 1030 99 99 ARG HD3 H 2.694 0.007 9 1031 99 99 ARG HE H 8.823 0.001 9 1032 99 99 ARG HG2 H 1.869 0.001 9 1033 99 99 ARG HG3 H 1.869 0.001 9 1034 99 99 ARG CA C 54.439 0.024 9 1035 99 99 ARG CB C 36.077 0.086 9 1036 99 99 ARG CD C 44.123 0.000 9 1037 99 99 ARG CG C 26.332 0.042 9 1038 99 99 ARG N N 125.138 0.062 9 1039 99 99 ARG NE N 119.413 0.000 9 1040 100 100 ARG H H 8.567 0.008 9 1041 100 100 ARG HA H 5.279 0.008 9 1042 100 100 ARG HB2 H 1.514 0.009 9 1043 100 100 ARG HB3 H 1.827 0.005 9 1044 100 100 ARG HD2 H 3.050 0.006 9 1045 100 100 ARG HD3 H 3.050 0.006 9 1046 100 100 ARG HE H 8.432 0.002 9 1047 100 100 ARG HG2 H 1.395 0.005 9 1048 100 100 ARG HG3 H 1.500 0.010 9 1049 100 100 ARG CA C 54.588 0.052 9 1050 100 100 ARG CB C 34.788 0.088 9 1051 100 100 ARG CD C 43.582 0.041 9 1052 100 100 ARG CG C 28.140 0.113 9 1053 100 100 ARG N N 122.002 0.023 9 1054 100 100 ARG NE N 120.700 0.000 9 1055 101 101 PHE H H 8.903 0.005 9 1056 101 101 PHE HA H 5.359 0.008 9 1057 101 101 PHE HB2 H 2.438 0.008 9 1058 101 101 PHE HB3 H 2.661 0.008 9 1059 101 101 PHE HD1 H 6.855 0.003 9 1060 101 101 PHE HD2 H 6.855 0.003 9 1061 101 101 PHE HE1 H 7.003 0.008 9 1062 101 101 PHE HE2 H 7.003 0.008 9 1063 101 101 PHE HZ H 6.812 0.003 9 1064 101 101 PHE CA C 56.032 0.063 9 1065 101 101 PHE CB C 42.963 0.056 9 1066 101 101 PHE CD1 C 132.091 0.025 9 1067 101 101 PHE CE1 C 130.735 0.049 9 1068 101 101 PHE CZ C 129.162 0.108 9 1069 101 101 PHE N N 118.420 0.042 9 1070 102 102 GLU H H 9.461 0.004 9 1071 102 102 GLU HA H 5.111 0.007 9 1072 102 102 GLU HB2 H 2.040 0.002 9 1073 102 102 GLU HB3 H 2.040 0.002 9 1074 102 102 GLU HG2 H 1.909 0.009 9 1075 102 102 GLU HG3 H 2.122 0.005 9 1076 102 102 GLU CA C 54.734 0.039 9 1077 102 102 GLU CB C 32.858 0.015 9 1078 102 102 GLU CG C 36.733 0.024 9 1079 102 102 GLU N N 122.522 0.035 9 1080 103 103 ILE H H 8.880 0.005 9 1081 103 103 ILE HA H 4.804 0.004 9 1082 103 103 ILE HB H 2.326 0.004 9 1083 103 103 ILE HD1 H 0.538 0.003 9 1084 103 103 ILE HG12 H 1.205 0.005 9 1085 103 103 ILE HG13 H 1.004 0.006 9 1086 103 103 ILE HG2 H 0.951 0.006 9 1087 103 103 ILE CA C 57.520 0.099 9 1088 103 103 ILE CB C 39.126 0.099 9 1089 103 103 ILE CD1 C 12.751 0.014 9 1090 103 103 ILE CG1 C 27.318 0.035 9 1091 103 103 ILE CG2 C 17.882 0.055 9 1092 103 103 ILE N N 127.547 0.052 9 1093 104 104 PRO HA H 4.429 0.011 9 1094 104 104 PRO HB2 H 2.270 0.006 9 1095 104 104 PRO HB3 H 2.035 0.003 9 1096 104 104 PRO HD2 H 3.821 0.009 9 1097 104 104 PRO HD3 H 4.142 0.004 9 1098 104 104 PRO HG2 H 2.046 0.004 9 1099 104 104 PRO HG3 H 1.973 0.006 9 1100 104 104 PRO CA C 65.033 0.042 9 1101 104 104 PRO CB C 32.389 0.051 9 1102 104 104 PRO CD C 51.618 0.062 9 1103 104 104 PRO CG C 27.100 0.000 9 1104 105 105 ASP H H 7.355 0.003 9 1105 105 105 ASP HA H 4.690 0.004 9 1106 105 105 ASP HB2 H 2.416 0.005 9 1107 105 105 ASP HB3 H 2.824 0.008 9 1108 105 105 ASP CA C 53.382 0.036 9 1109 105 105 ASP CB C 42.467 0.020 9 1110 105 105 ASP N N 116.276 0.038 9 1111 106 106 GLU H H 8.994 0.005 9 1112 106 106 GLU HA H 3.823 0.004 9 1113 106 106 GLU HB2 H 2.121 0.008 9 1114 106 106 GLU HB3 H 2.070 0.007 9 1115 106 106 GLU HG2 H 2.272 0.004 9 1116 106 106 GLU HG3 H 2.272 0.004 9 1117 106 106 GLU CA C 60.336 0.093 9 1118 106 106 GLU CB C 30.023 0.054 9 1119 106 106 GLU CG C 36.260 0.027 9 1120 106 106 GLU N N 127.878 0.029 9 1121 107 107 GLU H H 8.416 0.009 9 1122 107 107 GLU HA H 4.026 0.007 9 1123 107 107 GLU HB2 H 2.121 0.005 9 1124 107 107 GLU HB3 H 2.055 0.010 9 1125 107 107 GLU HG2 H 2.306 0.002 9 1126 107 107 GLU HG3 H 2.069 0.007 9 1127 107 107 GLU CA C 59.870 0.097 9 1128 107 107 GLU CB C 29.100 0.001 9 1129 107 107 GLU CG C 36.266 0.008 9 1130 107 107 GLU N N 119.656 0.043 9 1131 108 108 HIS H H 8.337 0.009 9 1132 108 108 HIS HA H 4.397 0.005 9 1133 108 108 HIS HB2 H 3.226 0.005 9 1134 108 108 HIS HB3 H 3.147 0.009 9 1135 108 108 HIS HD2 H 7.114 0.010 9 1136 108 108 HIS HE1 H 7.955 0.004 9 1137 108 108 HIS CA C 58.781 0.124 9 1138 108 108 HIS CB C 29.727 0.021 9 1139 108 108 HIS CD2 C 118.583 0.034 9 1140 108 108 HIS CE1 C 137.681 0.028 9 1141 108 108 HIS N N 118.201 0.033 9 1142 109 109 CYS H H 8.604 0.004 9 1143 109 109 CYS HA H 3.962 0.005 9 1144 109 109 CYS HB2 H 3.311 0.006 9 1145 109 109 CYS HB3 H 3.675 0.008 9 1146 109 109 CYS CA C 60.309 0.078 9 1147 109 109 CYS CB C 43.994 0.026 9 1148 109 109 CYS N N 119.487 0.027 9 1149 110 110 LEU H H 8.428 0.004 9 1150 110 110 LEU HA H 4.053 0.007 9 1151 110 110 LEU HB2 H 1.576 0.002 9 1152 110 110 LEU HB3 H 1.891 0.003 9 1153 110 110 LEU HD1 H 0.883 0.004 9 1154 110 110 LEU HD2 H 0.918 0.001 9 1155 110 110 LEU HG H 1.895 0.002 9 1156 110 110 LEU CA C 58.408 0.059 9 1157 110 110 LEU CB C 41.149 0.021 9 1158 110 110 LEU CD1 C 22.754 0.053 9 1159 110 110 LEU CD2 C 24.959 0.061 9 1160 110 110 LEU CG C 27.125 0.041 9 1161 110 110 LEU N N 118.646 0.038 9 1162 111 111 LYS H H 7.939 0.011 9 1163 111 111 LYS HA H 4.055 0.005 9 1164 111 111 LYS HB2 H 1.921 0.007 9 1165 111 111 LYS HB3 H 1.921 0.007 9 1166 111 111 LYS HD2 H 1.682 0.004 9 1167 111 111 LYS HD3 H 1.682 0.004 9 1168 111 111 LYS HE2 H 2.950 0.008 9 1169 111 111 LYS HE3 H 2.950 0.008 9 1170 111 111 LYS HG2 H 1.625 0.005 9 1171 111 111 LYS HG3 H 1.452 0.005 9 1172 111 111 LYS CA C 59.578 0.094 9 1173 111 111 LYS CB C 32.647 0.022 9 1174 111 111 LYS CD C 29.157 0.007 9 1175 111 111 LYS CE C 42.091 0.000 9 1176 111 111 LYS CG C 25.462 0.046 9 1177 111 111 LYS N N 120.116 0.028 9 1178 112 112 PHE H H 8.202 0.004 9 1179 112 112 PHE HA H 3.972 0.009 9 1180 112 112 PHE HB2 H 3.049 0.004 9 1181 112 112 PHE HB3 H 3.135 0.004 9 1182 112 112 PHE HD1 H 6.801 0.007 9 1183 112 112 PHE HD2 H 6.801 0.007 9 1184 112 112 PHE HE1 H 6.840 0.009 9 1185 112 112 PHE HE2 H 6.840 0.009 9 1186 112 112 PHE HZ H 6.665 0.004 9 1187 112 112 PHE CA C 62.090 0.037 9 1188 112 112 PHE CB C 39.900 0.005 9 1189 112 112 PHE CD1 C 131.158 0.083 9 1190 112 112 PHE CE1 C 130.925 0.000 9 1191 112 112 PHE CZ C 129.117 0.043 9 1192 112 112 PHE N N 121.897 0.021 9 1193 113 113 LEU H H 8.771 0.004 9 1194 113 113 LEU HA H 3.744 0.005 9 1195 113 113 LEU HB2 H 1.551 0.011 9 1196 113 113 LEU HB3 H 1.858 0.003 9 1197 113 113 LEU HD1 H 0.836 0.004 9 1198 113 113 LEU HD2 H 0.859 0.005 9 1199 113 113 LEU HG H 1.916 0.011 9 1200 113 113 LEU CA C 58.089 0.076 9 1201 113 113 LEU CB C 41.403 0.018 9 1202 113 113 LEU CD1 C 23.520 0.059 9 1203 113 113 LEU CD2 C 25.914 0.043 9 1204 113 113 LEU CG C 27.300 0.010 9 1205 113 113 LEU N N 118.482 0.030 9 1206 114 114 SER H H 8.021 0.005 9 1207 114 114 SER HA H 4.109 0.013 9 1208 114 114 SER HB2 H 3.898 0.002 9 1209 114 114 SER HB3 H 3.960 0.004 9 1210 114 114 SER CA C 61.913 0.104 9 1211 114 114 SER CB C 62.671 0.142 9 1212 114 114 SER N N 113.421 0.046 9 1213 115 115 ALA H H 7.436 0.003 9 1214 115 115 ALA HA H 4.027 0.005 9 1215 115 115 ALA HB H 1.211 0.001 9 1216 115 115 ALA CA C 54.820 0.040 9 1217 115 115 ALA CB C 17.569 0.049 9 1218 115 115 ALA N N 125.386 0.019 9 1219 116 116 VAL H H 8.083 0.010 9 1220 116 116 VAL HA H 3.126 0.004 9 1221 116 116 VAL HB H 1.884 0.008 9 1222 116 116 VAL HG1 H 0.914 0.003 9 1223 116 116 VAL HG2 H 0.316 0.003 9 1224 116 116 VAL CA C 66.641 0.033 9 1225 116 116 VAL CB C 31.598 0.054 9 1226 116 116 VAL CG1 C 22.173 0.045 9 1227 116 116 VAL CG2 C 23.291 0.028 9 1228 116 116 VAL N N 120.046 0.027 9 1229 117 117 LEU H H 8.243 0.006 9 1230 117 117 LEU HA H 4.132 0.009 9 1231 117 117 LEU HB2 H 1.602 0.002 9 1232 117 117 LEU HB3 H 1.735 0.005 9 1233 117 117 LEU HD1 H 0.909 0.004 9 1234 117 117 LEU HD2 H 0.911 0.005 9 1235 117 117 LEU HG H 1.687 0.001 9 1236 117 117 LEU CA C 57.814 0.038 9 1237 117 117 LEU CB C 41.205 0.015 9 1238 117 117 LEU CD1 C 24.052 0.031 9 1239 117 117 LEU CD2 C 24.082 0.035 9 1240 117 117 LEU CG C 27.255 0.060 9 1241 117 117 LEU N N 120.006 0.017 9 1242 118 118 ALA H H 7.617 0.005 9 1243 118 118 ALA HA H 3.951 0.007 9 1244 118 118 ALA HB H 1.344 0.003 9 1245 118 118 ALA CA C 54.836 0.074 9 1246 118 118 ALA CB C 17.598 0.046 9 1247 118 118 ALA N N 120.681 0.031 9 1248 119 119 ALA H H 7.461 0.004 9 1249 119 119 ALA HA H 3.315 0.007 9 1250 119 119 ALA HB H 0.667 0.005 9 1251 119 119 ALA CA C 54.534 0.054 9 1252 119 119 ALA CB C 17.560 0.060 9 1253 119 119 ALA N N 121.774 0.027 9 1254 120 120 GLN H H 8.024 0.004 9 1255 120 120 GLN HA H 3.699 0.005 9 1256 120 120 GLN HB2 H 2.083 0.007 9 1257 120 120 GLN HB3 H 2.188 0.006 9 1258 120 120 GLN HE21 H 6.924 0.005 9 1259 120 120 GLN HE22 H 7.369 0.006 9 1260 120 120 GLN HG2 H 2.221 0.006 9 1261 120 120 GLN HG3 H 2.396 0.004 9 1262 120 120 GLN CA C 58.985 0.073 9 1263 120 120 GLN CB C 29.628 0.041 9 1264 120 120 GLN CG C 35.087 0.030 9 1265 120 120 GLN N N 116.427 0.027 9 1266 120 120 GLN NE2 N 110.149 0.067 9 1267 121 121 LYS H H 7.901 0.005 9 1268 121 121 LYS HA H 4.066 0.006 9 1269 121 121 LYS HB2 H 1.869 0.009 9 1270 121 121 LYS HB3 H 1.785 0.003 9 1271 121 121 LYS HD2 H 1.618 0.005 9 1272 121 121 LYS HD3 H 1.618 0.005 9 1273 121 121 LYS HE2 H 2.916 0.007 9 1274 121 121 LYS HE3 H 2.916 0.007 9 1275 121 121 LYS HG2 H 1.518 0.008 9 1276 121 121 LYS HG3 H 1.418 0.004 9 1277 121 121 LYS CA C 57.857 0.117 9 1278 121 121 LYS CB C 32.435 0.036 9 1279 121 121 LYS CD C 29.072 0.054 9 1280 121 121 LYS CE C 42.100 0.008 9 1281 121 121 LYS CG C 25.046 0.045 9 1282 121 121 LYS N N 118.637 0.032 9 1283 122 122 ALA H H 7.519 0.004 9 1284 122 122 ALA HA H 4.230 0.005 9 1285 122 122 ALA HB H 1.485 0.004 9 1286 122 122 ALA CA C 53.349 0.066 9 1287 122 122 ALA CB C 18.771 0.037 9 1288 122 122 ALA N N 121.618 0.020 9 1289 123 123 GLN H H 7.702 0.005 9 1290 123 123 GLN HA H 4.453 0.008 9 1291 123 123 GLN HB2 H 2.042 0.004 9 1292 123 123 GLN HB3 H 2.225 0.006 9 1293 123 123 GLN HE21 H 6.942 0.004 9 1294 123 123 GLN HE22 H 7.608 0.003 9 1295 123 123 GLN HG2 H 2.411 0.008 9 1296 123 123 GLN HG3 H 2.502 0.004 9 1297 123 123 GLN CA C 55.458 0.035 9 1298 123 123 GLN CB C 29.622 0.026 9 1299 123 123 GLN CG C 33.950 0.048 9 1300 123 123 GLN N N 117.433 0.022 9 1301 123 123 GLN NE2 N 112.446 0.044 9 1302 124 124 SER H H 7.788 0.002 9 1303 124 124 SER HA H 4.255 0.005 9 1304 124 124 SER HB2 H 3.860 0.003 9 1305 124 124 SER HB3 H 3.860 0.003 9 1306 124 124 SER CA C 60.278 0.031 9 1307 124 124 SER CB C 64.977 0.024 9 1308 124 124 SER N N 122.251 0.018 9 stop_ save_