data_25395 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the internal EH domain of gamma-synergin ; _BMRB_accession_number 25395 _BMRB_flat_file_name bmr25395.str _Entry_type original _Submission_date 2014-12-16 _Accession_date 2014-12-16 _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 Kovermann Michael . . 2 Weininger Ulrich . . 3 Loew Christian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 626 "13C chemical shifts" 382 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-28 original BMRB . stop_ _Original_release_date 2015-12-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the internal EH domain of gamma-synergin ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kovermann Michael . . 2 Weininger Ulrich . . 3 Loew Christian . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'internal EH domain of gamma-synergin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $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 entity _Molecular_mass 12294.373 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; SMFPSQDPAQPRMPPWIYNE SLVPDAYKKILETTMTPTGI DTAKLYPILMSSGLPRETLG QIWALANRTTPGKLTKEELY TVLAMIAVTQRGVPAMSPDA LNQFPAAPIPTL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 277 SER 2 278 MET 3 279 PHE 4 280 PRO 5 281 SER 6 282 GLN 7 283 ASP 8 284 PRO 9 285 ALA 10 286 GLN 11 287 PRO 12 288 ARG 13 289 MET 14 290 PRO 15 291 PRO 16 292 TRP 17 293 ILE 18 294 TYR 19 295 ASN 20 296 GLU 21 297 SER 22 298 LEU 23 299 VAL 24 300 PRO 25 301 ASP 26 302 ALA 27 303 TYR 28 304 LYS 29 305 LYS 30 306 ILE 31 307 LEU 32 308 GLU 33 309 THR 34 310 THR 35 311 MET 36 312 THR 37 313 PRO 38 314 THR 39 315 GLY 40 316 ILE 41 317 ASP 42 318 THR 43 319 ALA 44 320 LYS 45 321 LEU 46 322 TYR 47 323 PRO 48 324 ILE 49 325 LEU 50 326 MET 51 327 SER 52 328 SER 53 329 GLY 54 330 LEU 55 331 PRO 56 332 ARG 57 333 GLU 58 334 THR 59 335 LEU 60 336 GLY 61 337 GLN 62 338 ILE 63 339 TRP 64 340 ALA 65 341 LEU 66 342 ALA 67 343 ASN 68 344 ARG 69 345 THR 70 346 THR 71 347 PRO 72 348 GLY 73 349 LYS 74 350 LEU 75 351 THR 76 352 LYS 77 353 GLU 78 354 GLU 79 355 LEU 80 356 TYR 81 357 THR 82 358 VAL 83 359 LEU 84 360 ALA 85 361 MET 86 362 ILE 87 363 ALA 88 364 VAL 89 365 THR 90 366 GLN 91 367 ARG 92 368 GLY 93 369 VAL 94 370 PRO 95 371 ALA 96 372 MET 97 373 SER 98 374 PRO 99 375 ASP 100 376 ALA 101 377 LEU 102 378 ASN 103 379 GLN 104 380 PHE 105 381 PRO 106 382 ALA 107 383 ALA 108 384 PRO 109 385 ILE 110 386 PRO 111 387 THR 112 388 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 $entity 'E. coli' 562 Bacteria . Escherichia coli 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 . 'not applicable' 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 '[U-99% 13C; U-99% 15N]' TRIS 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'calcium chloride' 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Johnson, One Moon Scientific' . . "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'chemical shift assignment' collection 'peak picking' processing 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _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-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_IPAP_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC IPAP' _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 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 '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' 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 entity _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 1 277 1 SER HA H 3.485 0.01 . 2 277 1 SER HB2 H 3.511 0.01 . 3 277 1 SER HB3 H 3.583 0.01 . 4 277 1 SER CA C 58.052 0.02 . 5 277 1 SER CB C 65.644 0.02 . 6 278 2 MET HE H 1.813 0.01 . 7 278 2 MET CE C 16.695 0.02 . 8 279 3 PHE HA H 4.677 0.01 . 9 279 3 PHE HB2 H 2.642 0.01 . 10 279 3 PHE HB3 H 2.949 0.01 . 11 279 3 PHE HD1 H 7.065 0.01 . 12 279 3 PHE HD2 H 7.065 0.01 . 13 279 3 PHE HE1 H 7.123 0.01 . 14 279 3 PHE HE2 H 7.123 0.01 . 15 279 3 PHE HZ H 7.073 0.01 . 16 279 3 PHE CA C 55.213 0.02 . 17 279 3 PHE CB C 38.951 0.02 . 18 280 4 PRO HA H 4.178 0.01 . 19 280 4 PRO HB2 H 1.747 0.01 . 20 280 4 PRO HB3 H 2.086 0.01 . 21 280 4 PRO HG2 H 1.753 0.01 . 22 280 4 PRO HG3 H 1.754 0.01 . 23 280 4 PRO HD2 H 3.352 0.01 . 24 280 4 PRO HD3 H 3.53 0.01 . 25 280 4 PRO CA C 62.946 0.02 . 26 280 4 PRO CB C 31.9 0.02 . 27 280 4 PRO CG C 27.221 0.02 . 28 280 4 PRO CD C 50.426 0.02 . 29 281 5 SER H H 8.103 0.01 . 30 281 5 SER HA H 4.221 0.01 . 31 281 5 SER HB2 H 3.665 0.01 . 32 281 5 SER HB3 H 3.709 0.01 . 33 281 5 SER CA C 58.257 0.02 . 34 281 5 SER CB C 63.644 0.02 . 35 282 6 GLN HA H 4.156 0.01 . 36 282 6 GLN HB2 H 1.613 0.01 . 37 282 6 GLN HB3 H 1.614 0.01 . 38 282 6 GLN HG2 H 2.124 0.01 . 39 282 6 GLN HG3 H 2.125 0.01 . 40 282 6 GLN HE21 H 7.34 0.01 . 41 282 6 GLN HE22 H 6.648 0.01 . 42 282 6 GLN CA C 55.303 0.02 . 43 282 6 GLN CB C 29.334 0.02 . 44 282 6 GLN CG C 33.619 0.02 . 45 282 6 GLN NE2 N 113.23 0.02 . 46 283 7 ASP H H 8.198 0.01 . 47 283 7 ASP HA H 4.63 0.01 . 48 283 7 ASP HB2 H 2.332 0.01 . 49 283 7 ASP HB3 H 2.543 0.01 . 50 283 7 ASP CA C 52.131 0.02 . 51 283 7 ASP CB C 41.04 0.02 . 52 283 7 ASP N N 124.405 0.02 . 53 284 8 PRO HA H 4.19 0.01 . 54 284 8 PRO HB2 H 1.886 0.01 . 55 284 8 PRO HB3 H 2.062 0.01 . 56 284 8 PRO HG2 H 1.62 0.01 . 57 284 8 PRO HG3 H 1.621 0.01 . 58 284 8 PRO HD2 H 3.421 0.01 . 59 284 8 PRO HD3 H 3.531 0.01 . 60 284 8 PRO CA C 63.058 0.02 . 61 284 8 PRO CB C 32.026 0.02 . 62 284 8 PRO CD C 50.358 0.02 . 63 285 9 ALA H H 8.196 0.01 . 64 285 9 ALA HA H 4.168 0.01 . 65 285 9 ALA HB H 1.101 0.01 . 66 285 9 ALA C C 174.89 0.02 . 67 285 9 ALA CA C 52.238 0.02 . 68 285 9 ALA CB C 19.068 0.02 . 69 285 9 ALA N N 123.385 0.02 . 70 286 10 GLN H H 7.765 0.01 . 71 286 10 GLN HA H 4.356 0.01 . 72 286 10 GLN HB2 H 1.856 0.01 . 73 286 10 GLN HB3 H 1.697 0.01 . 74 286 10 GLN HG2 H 2.145 0.01 . 75 286 10 GLN HG3 H 2.144 0.01 . 76 286 10 GLN HE21 H 7.403 0.01 . 77 286 10 GLN HE22 H 6.675 0.01 . 78 286 10 GLN CA C 53.584 0.02 . 79 286 10 GLN CB C 28.974 0.02 . 80 286 10 GLN CG C 33.293 0.02 . 81 286 10 GLN N N 120.476 0.02 . 82 286 10 GLN NE2 N 113.363 0.02 . 83 287 11 PRO HA H 4.098 0.01 . 84 287 11 PRO HB2 H 1.512 0.01 . 85 287 11 PRO HB3 H 2.008 0.01 . 86 287 11 PRO HG2 H 1.758 0.01 . 87 287 11 PRO HG3 H 1.757 0.01 . 88 287 11 PRO HD2 H 3.383 0.01 . 89 287 11 PRO HD3 H 3.521 0.01 . 90 287 11 PRO CA C 62.778 0.02 . 91 287 11 PRO CB C 31.904 0.02 . 92 287 11 PRO CG C 27.221 0.02 . 93 287 11 PRO CD C 50.458 0.02 . 94 288 12 ARG H H 7.936 0.01 . 95 288 12 ARG HA H 3.599 0.01 . 96 288 12 ARG HB2 H 0.805 0.01 . 97 288 12 ARG HB3 H 0.981 0.01 . 98 288 12 ARG HG2 H 0.995 0.01 . 99 288 12 ARG HG3 H 1.193 0.01 . 100 288 12 ARG HD2 H 2.551 0.01 . 101 288 12 ARG HD3 H 2.606 0.01 . 102 288 12 ARG HE H 6.81 0.01 . 103 288 12 ARG C C 174.438 0.02 . 104 288 12 ARG CA C 55.706 0.02 . 105 288 12 ARG CB C 30.027 0.02 . 106 288 12 ARG CG C 26.751 0.02 . 107 288 12 ARG CD C 43.115 0.02 . 108 288 12 ARG N N 121.757 0.02 . 109 289 13 MET H H 7.58 0.01 . 110 289 13 MET HA H 4.363 0.01 . 111 289 13 MET HB2 H 1.625 0.01 . 112 289 13 MET HB3 H 1.626 0.01 . 113 289 13 MET HG2 H 2.141 0.01 . 114 289 13 MET HG3 H 2.399 0.01 . 115 289 13 MET HE H 1.882 0.01 . 116 289 13 MET CA C 51.397 0.02 . 117 289 13 MET CB C 34.189 0.02 . 118 289 13 MET CG C 32.083 0.02 . 119 289 13 MET CE C 17.774 0.02 . 120 289 13 MET N N 120.109 0.02 . 121 290 14 PRO HD2 H 3.504 0.01 . 122 290 14 PRO HD3 H 3.926 0.01 . 123 291 15 PRO HA H 4.348 0.01 . 124 291 15 PRO HB2 H 2.007 0.01 . 125 291 15 PRO HB3 H 2.293 0.01 . 126 291 15 PRO HG3 H 1.911 0.01 . 127 291 15 PRO HD2 H 3.477 0.01 . 128 291 15 PRO HD3 H 3.941 0.01 . 129 291 15 PRO CA C 64.796 0.02 . 130 291 15 PRO CB C 31.946 0.02 . 131 291 15 PRO CD C 50.932 0.02 . 132 292 16 TRP H H 5.866 0.01 . 133 292 16 TRP HA H 4.137 0.01 . 134 292 16 TRP HB2 H 2.813 0.01 . 135 292 16 TRP HB3 H 3.472 0.01 . 136 292 16 TRP HD1 H 7.124 0.01 . 137 292 16 TRP HE1 H 9.832 0.01 . 138 292 16 TRP HE3 H 7.83 0.01 . 139 292 16 TRP HZ2 H 7.83 0.01 . 140 292 16 TRP HZ3 H 6.951 0.01 . 141 292 16 TRP HH2 H 7.269 0.01 . 142 292 16 TRP CA C 54.305 0.02 . 143 292 16 TRP CB C 28.562 0.02 . 144 292 16 TRP N N 109.245 0.02 . 145 292 16 TRP NE1 N 131.34 0.02 . 146 293 17 ILE H H 6.394 0.01 . 147 293 17 ILE HA H 4.051 0.01 . 148 293 17 ILE HB H 0.891 0.01 . 149 293 17 ILE HG12 H 0.681 0.01 . 150 293 17 ILE HG13 H 1.178 0.01 . 151 293 17 ILE HG2 H -0.176 0.01 . 152 293 17 ILE HD1 H 0.501 0.01 . 153 293 17 ILE C C 175.522 0.02 . 154 293 17 ILE CA C 62.736 0.02 . 155 293 17 ILE CB C 39.491 0.02 . 156 293 17 ILE CG1 C 29.01 0.02 . 157 293 17 ILE CG2 C 16.751 0.02 . 158 293 17 ILE CD1 C 12.627 0.02 . 159 293 17 ILE N N 113.569 0.02 . 160 294 18 TYR H H 6.364 0.01 . 161 294 18 TYR HA H 4.002 0.01 . 162 294 18 TYR HB2 H 3.057 0.01 . 163 294 18 TYR HB3 H 2.146 0.01 . 164 294 18 TYR HD1 H 6.818 0.01 . 165 294 18 TYR HD2 H 6.818 0.01 . 166 294 18 TYR HE1 H 6.406 0.01 . 167 294 18 TYR HE2 H 6.406 0.01 . 168 294 18 TYR C C 174.885 0.02 . 169 294 18 TYR CA C 61.225 0.02 . 170 294 18 TYR CB C 39.859 0.02 . 171 294 18 TYR CD1 C 128.548 0.02 . 172 294 18 TYR CE1 C 116.677 0.02 . 173 294 18 TYR N N 112.75 0.02 . 174 295 19 ASN H H 8.059 0.01 . 175 295 19 ASN HA H 4.848 0.01 . 176 295 19 ASN HB2 H 3.152 0.01 . 177 295 19 ASN HB3 H 2.573 0.01 . 178 295 19 ASN HD21 H 7.589 0.01 . 179 295 19 ASN HD22 H 6.92 0.01 . 180 295 19 ASN CA C 51.791 0.02 . 181 295 19 ASN CB C 38.614 0.02 . 182 295 19 ASN N N 120.835 0.02 . 183 295 19 ASN ND2 N 112.807 0.02 . 184 296 20 GLU HA H 3.832 0.01 . 185 296 20 GLU HB2 H 1.917 0.01 . 186 296 20 GLU HB3 H 1.918 0.01 . 187 296 20 GLU HG2 H 2.203 0.01 . 188 296 20 GLU HG3 H 2.204 0.01 . 189 296 20 GLU C C 178.162 0.02 . 190 296 20 GLU CA C 59.485 0.02 . 191 296 20 GLU CB C 29.881 0.02 . 192 296 20 GLU CG C 36.093 0.02 . 193 297 21 SER H H 8.091 0.01 . 194 297 21 SER HA H 4.134 0.01 . 195 297 21 SER HB2 H 3.714 0.01 . 196 297 21 SER HB3 H 3.747 0.01 . 197 297 21 SER CA C 60.971 0.02 . 198 297 21 SER CB C 62.983 0.02 . 199 297 21 SER N N 113.512 0.02 . 200 298 22 LEU H H 7.886 0.01 . 201 298 22 LEU HA H 4.261 0.01 . 202 298 22 LEU HB2 H 1.636 0.01 . 203 298 22 LEU HB3 H 1.48 0.01 . 204 298 22 LEU HG H 1.244 0.01 . 205 298 22 LEU HD1 H 0.649 0.01 . 206 298 22 LEU HD2 H 0.748 0.01 . 207 298 22 LEU CA C 53.851 0.02 . 208 298 22 LEU CB C 42.567 0.02 . 209 298 22 LEU CG C 26.558 0.02 . 210 298 22 LEU CD1 C 22.231 0.02 . 211 298 22 LEU CD2 C 25.79 0.02 . 212 298 22 LEU N N 121.766 0.02 . 213 299 23 VAL H H 6.662 0.01 . 214 299 23 VAL HA H 4.123 0.01 . 215 299 23 VAL HB H 1.551 0.01 . 216 299 23 VAL HG1 H 0.361 0.01 . 217 299 23 VAL HG2 H 0.698 0.01 . 218 299 23 VAL CA C 60.208 0.02 . 219 299 23 VAL CB C 33.28 0.02 . 220 299 23 VAL CG1 C 20.325 0.02 . 221 299 23 VAL CG2 C 22.221 0.02 . 222 299 23 VAL N N 125.367 0.02 . 223 300 24 PRO HA H 4.12 0.01 . 224 300 24 PRO HB2 H 1.275 0.01 . 225 300 24 PRO HB3 H 1.96 0.01 . 226 300 24 PRO HG2 H 0.47 0.01 . 227 300 24 PRO HG3 H 0.922 0.01 . 228 300 24 PRO HD2 H 2.767 0.01 . 229 300 24 PRO HD3 H 3.494 0.01 . 230 300 24 PRO CB C 32.033 0.02 . 231 300 24 PRO CG C 26.878 0.02 . 232 300 24 PRO CD C 50.707 0.02 . 233 301 25 ASP HA H 4.068 0.01 . 234 301 25 ASP HB2 H 2.444 0.01 . 235 301 25 ASP HB3 H 2.445 0.01 . 236 301 25 ASP CA C 57.72 0.02 . 237 301 25 ASP CB C 40.592 0.02 . 238 302 26 ALA H H 8.618 0.01 . 239 302 26 ALA HA H 3.895 0.01 . 240 302 26 ALA HB H 1.269 0.01 . 241 302 26 ALA C C 180.688 0.02 . 242 302 26 ALA CA C 55.037 0.02 . 243 302 26 ALA CB C 19.071 0.02 . 244 302 26 ALA N N 119.127 0.02 . 245 303 27 TYR H H 6.947 0.01 . 246 303 27 TYR HA H 4.171 0.01 . 247 303 27 TYR HB2 H 2.836 0.01 . 248 303 27 TYR HB3 H 2.776 0.01 . 249 303 27 TYR HD1 H 6.499 0.01 . 250 303 27 TYR HD2 H 6.499 0.01 . 251 303 27 TYR HE1 H 6.128 0.01 . 252 303 27 TYR HE2 H 6.128 0.01 . 253 303 27 TYR C C 177.735 0.02 . 254 303 27 TYR CA C 57.677 0.02 . 255 303 27 TYR CB C 36.067 0.02 . 256 303 27 TYR CD1 C 129.991 0.02 . 257 303 27 TYR CE1 C 116.755 0.02 . 258 303 27 TYR N N 115.538 0.02 . 259 304 28 LYS H H 7.171 0.01 . 260 304 28 LYS HA H 3.905 0.01 . 261 304 28 LYS HB2 H 1.814 0.01 . 262 304 28 LYS HB3 H 1.813 0.01 . 263 304 28 LYS HG2 H 1.295 0.01 . 264 304 28 LYS HG3 H 1.294 0.01 . 265 304 28 LYS HD2 H 1.535 0.01 . 266 304 28 LYS HD3 H 1.479 0.01 . 267 304 28 LYS HE2 H 2.806 0.01 . 268 304 28 LYS HE3 H 2.806 0.01 . 269 304 28 LYS HZ H 6.658 0.01 . 270 304 28 LYS C C 179.113 0.02 . 271 304 28 LYS CA C 59.831 0.02 . 272 304 28 LYS CB C 32.209 0.02 . 273 304 28 LYS CG C 25.933 0.02 . 274 304 28 LYS CD C 29.471 0.02 . 275 304 28 LYS CE C 42.452 0.02 . 276 304 28 LYS N N 120.383 0.02 . 277 305 29 LYS H H 8.21 0.01 . 278 305 29 LYS HA H 3.964 0.01 . 279 305 29 LYS HB2 H 1.687 0.01 . 280 305 29 LYS HB3 H 1.686 0.01 . 281 305 29 LYS HG2 H 1.305 0.01 . 282 305 29 LYS HG3 H 1.304 0.01 . 283 305 29 LYS HD2 H 1.957 0.01 . 284 305 29 LYS HD3 H 1.465 0.01 . 285 305 29 LYS HE2 H 2.779 0.01 . 286 305 29 LYS HE3 H 2.779 0.01 . 287 305 29 LYS HZ H 6.929 0.01 . 288 305 29 LYS C C 179.435 0.02 . 289 305 29 LYS CA C 58.715 0.02 . 290 305 29 LYS CB C 32.156 0.02 . 291 305 29 LYS CG C 24.824 0.02 . 292 305 29 LYS CD C 28.502 0.02 . 293 305 29 LYS CE C 41.936 0.02 . 294 305 29 LYS N N 119.215 0.02 . 295 306 30 ILE H H 6.924 0.01 . 296 306 30 ILE HA H 3.588 0.01 . 297 306 30 ILE HB H 1.894 0.01 . 298 306 30 ILE HG12 H 1.437 0.01 . 299 306 30 ILE HG13 H 1.326 0.01 . 300 306 30 ILE HG2 H 0.69 0.01 . 301 306 30 ILE HD1 H 0.609 0.01 . 302 306 30 ILE C C 178.677 0.02 . 303 306 30 ILE CA C 63.776 0.02 . 304 306 30 ILE CB C 36.527 0.02 . 305 306 30 ILE CG1 C 28.54 0.02 . 306 306 30 ILE CG2 C 17.865 0.02 . 307 306 30 ILE CD1 C 11.702 0.02 . 308 306 30 ILE N N 120.535 0.02 . 309 307 31 LEU H H 7.699 0.01 . 310 307 31 LEU HA H 3.665 0.01 . 311 307 31 LEU HB2 H 2.169 0.01 . 312 307 31 LEU HB3 H 1.427 0.01 . 313 307 31 LEU HG H 1.399 0.01 . 314 307 31 LEU HD1 H 0.671 0.01 . 315 307 31 LEU HD2 H 0.885 0.01 . 316 307 31 LEU C C 177.887 0.02 . 317 307 31 LEU CA C 58.475 0.02 . 318 307 31 LEU CB C 41.864 0.02 . 319 307 31 LEU CD1 C 24.915 0.02 . 320 307 31 LEU CD2 C 25.918 0.02 . 321 307 31 LEU N N 123.159 0.02 . 322 308 32 GLU H H 8.295 0.01 . 323 308 32 GLU HA H 3.778 0.01 . 324 308 32 GLU HB2 H 1.979 0.01 . 325 308 32 GLU HB3 H 1.978 0.01 . 326 308 32 GLU HG2 H 2.225 0.01 . 327 308 32 GLU HG3 H 2.112 0.01 . 328 308 32 GLU C C 179.276 0.02 . 329 308 32 GLU CA C 59.447 0.02 . 330 308 32 GLU CB C 29.493 0.02 . 331 308 32 GLU CG C 36.221 0.02 . 332 308 32 GLU N N 117.484 0.02 . 333 309 33 THR H H 7.603 0.01 . 334 309 33 THR HA H 4.002 0.01 . 335 309 33 THR HB H 4.145 0.01 . 336 309 33 THR HG2 H 1.135 0.01 . 337 309 33 THR C C 175.208 0.02 . 338 309 33 THR CA C 65.147 0.02 . 339 309 33 THR CB C 69.611 0.02 . 340 309 33 THR CG2 C 21.676 0.02 . 341 309 33 THR N N 112.809 0.02 . 342 310 34 THR H H 7.424 0.01 . 343 310 34 THR HA H 4.221 0.01 . 344 310 34 THR HB H 4.205 0.01 . 345 310 34 THR HG2 H 0.894 0.01 . 346 310 34 THR CA C 62.506 0.02 . 347 310 34 THR CB C 69.818 0.02 . 348 310 34 THR CG2 C 22.765 0.02 . 349 310 34 THR N N 109.269 0.02 . 350 311 35 MET H H 7.594 0.01 . 351 311 35 MET HA H 4.395 0.01 . 352 311 35 MET HB2 H 1.882 0.01 . 353 311 35 MET HB3 H 1.972 0.01 . 354 311 35 MET HG2 H 2.298 0.01 . 355 311 35 MET HG3 H 2.497 0.01 . 356 311 35 MET HE H 1.874 0.01 . 357 311 35 MET CA C 55.79 0.02 . 358 311 35 MET CB C 31.35 0.02 . 359 311 35 MET CG C 32.267 0.02 . 360 311 35 MET CE C 16.364 0.02 . 361 311 35 MET N N 123.362 0.02 . 362 312 36 THR H H 7.77 0.01 . 363 312 36 THR HA H 4.963 0.01 . 364 312 36 THR HB H 4.491 0.01 . 365 312 36 THR HG2 H 1.218 0.01 . 366 312 36 THR CA C 60.17 0.02 . 367 312 36 THR CB C 70.02 0.02 . 368 312 36 THR CG2 C 22.109 0.02 . 369 312 36 THR N N 119.388 0.02 . 370 313 37 PRO HA H 4.291 0.01 . 371 313 37 PRO HB2 H 2.38 0.01 . 372 313 37 PRO HB3 H 2.381 0.01 . 373 313 37 PRO HG2 H 1.768 0.01 . 374 313 37 PRO HG3 H 1.817 0.01 . 375 313 37 PRO HD2 H 3.701 0.01 . 376 313 37 PRO HD3 H 3.824 0.01 . 377 313 37 PRO C C 177.553 0.02 . 378 313 37 PRO CA C 65.259 0.02 . 379 313 37 PRO CB C 32.329 0.02 . 380 313 37 PRO CD C 50.814 0.02 . 381 314 38 THR H H 7.612 0.01 . 382 314 38 THR HA H 4.368 0.01 . 383 314 38 THR HB H 4.373 0.01 . 384 314 38 THR HG2 H 0.964 0.01 . 385 314 38 THR C C 174.107 0.02 . 386 314 38 THR CA C 65.266 0.02 . 387 314 38 THR CB C 68.586 0.02 . 388 314 38 THR CG2 C 21.321 0.02 . 389 314 38 THR N N 104.83 0.02 . 390 315 39 GLY H H 7.628 0.01 . 391 315 39 GLY HA2 H 3.619 0.01 . 392 315 39 GLY HA3 H 4.495 0.01 . 393 315 39 GLY C C 174.415 0.02 . 394 315 39 GLY CA C 43.971 0.02 . 395 315 39 GLY N N 111.178 0.02 . 396 316 40 ILE H H 8.702 0.01 . 397 316 40 ILE HA H 3.738 0.01 . 398 316 40 ILE HB H 1.565 0.01 . 399 316 40 ILE HG12 H 0.717 0.01 . 400 316 40 ILE HG13 H 1.501 0.01 . 401 316 40 ILE HG2 H 0.625 0.01 . 402 316 40 ILE HD1 H 0.4 0.01 . 403 316 40 ILE CA C 63.169 0.02 . 404 316 40 ILE CB C 38.109 0.02 . 405 316 40 ILE CG1 C 29.197 0.02 . 406 316 40 ILE CG2 C 16.32 0.02 . 407 316 40 ILE CD1 C 13.756 0.02 . 408 316 40 ILE N N 124.321 0.02 . 409 317 41 ASP H H 7.774 0.01 . 410 317 41 ASP HA H 4.563 0.01 . 411 317 41 ASP HB2 H 2.252 0.01 . 412 317 41 ASP HB3 H 2.455 0.01 . 413 317 41 ASP CA C 51.539 0.02 . 414 317 41 ASP CB C 42.618 0.02 . 415 318 42 THR H H 8.704 0.01 . 416 318 42 THR HA H 3.701 0.01 . 417 318 42 THR HB H 4.097 0.01 . 418 318 42 THR HG2 H 1.163 0.01 . 419 318 42 THR CA C 63.643 0.02 . 420 318 42 THR CB C 68.325 0.02 . 421 318 42 THR CG2 C 23.133 0.02 . 422 319 43 ALA H H 8.156 0.01 . 423 319 43 ALA HA H 4.032 0.01 . 424 319 43 ALA HB H 1.321 0.01 . 425 319 43 ALA CA C 54.67 0.02 . 426 319 43 ALA CB C 17.78 0.02 . 427 319 43 ALA N N 124.494 0.02 . 428 320 44 LYS H H 7.228 0.01 . 429 320 44 LYS HA H 4.027 0.01 . 430 320 44 LYS HB2 H 1.579 0.01 . 431 320 44 LYS HB3 H 1.685 0.01 . 432 320 44 LYS HG2 H 1.233 0.01 . 433 320 44 LYS HG3 H 1.384 0.01 . 434 320 44 LYS HD2 H 1.526 0.01 . 435 320 44 LYS HD3 H 1.603 0.01 . 436 320 44 LYS HE2 H 2.885 0.01 . 437 320 44 LYS HE3 H 2.885 0.01 . 438 320 44 LYS HZ H 6.525 0.01 . 439 320 44 LYS CA C 57.35 0.02 . 440 320 44 LYS CB C 33.8 0.02 . 441 320 44 LYS CG C 25.547 0.02 . 442 320 44 LYS CD C 30.444 0.02 . 443 320 44 LYS CE C 41.966 0.02 . 444 320 44 LYS N N 117.346 0.02 . 445 321 45 LEU H H 7.774 0.01 . 446 321 45 LEU HA H 4.001 0.01 . 447 321 45 LEU HB2 H 1.377 0.01 . 448 321 45 LEU HB3 H 1.378 0.01 . 449 321 45 LEU HG H 1.142 0.01 . 450 321 45 LEU HD1 H 0.83 0.01 . 451 321 45 LEU HD2 H 0.693 0.01 . 452 321 45 LEU CA C 56.612 0.02 . 453 321 45 LEU CB C 43.243 0.02 . 454 321 45 LEU CD1 C 27.841 0.02 . 455 321 45 LEU CD2 C 22.868 0.02 . 456 321 45 LEU N N 118.799 0.02 . 457 322 46 TYR HA H 3.839 0.01 . 458 322 46 TYR HB2 H 2.82 0.01 . 459 322 46 TYR HB3 H 2.885 0.01 . 460 322 46 TYR HD1 H 6.491 0.01 . 461 322 46 TYR HD2 H 6.491 0.01 . 462 322 46 TYR HE1 H 6.577 0.01 . 463 322 46 TYR HE2 H 6.577 0.01 . 464 322 46 TYR CA C 64.893 0.02 . 465 322 46 TYR CB C 34.96 0.02 . 466 322 46 TYR CD1 C 128.548 0.02 . 467 323 47 PRO HA H 4.041 0.01 . 468 323 47 PRO HB2 H 1.652 0.01 . 469 323 47 PRO HB3 H 2.182 0.01 . 470 323 47 PRO HG2 H 1.864 0.01 . 471 323 47 PRO HG3 H 1.997 0.01 . 472 323 47 PRO HD2 H 3.492 0.01 . 473 323 47 PRO HD3 H 3.799 0.01 . 474 323 47 PRO C C 179.592 0.02 . 475 323 47 PRO CA C 65.823 0.02 . 476 323 47 PRO CB C 31.025 0.02 . 477 323 47 PRO CD C 50.814 0.02 . 478 324 48 ILE H H 6.73 0.01 . 479 324 48 ILE HA H 3.595 0.01 . 480 324 48 ILE HB H 1.992 0.01 . 481 324 48 ILE HG12 H 0.897 0.01 . 482 324 48 ILE HG13 H 1.622 0.01 . 483 324 48 ILE HG2 H 0.704 0.01 . 484 324 48 ILE HD1 H 0.698 0.01 . 485 324 48 ILE C C 178.649 0.02 . 486 324 48 ILE CA C 64.782 0.02 . 487 324 48 ILE CB C 38.352 0.02 . 488 324 48 ILE CG1 C 28.276 0.02 . 489 324 48 ILE CG2 C 16.655 0.02 . 490 324 48 ILE CD1 C 14.132 0.02 . 491 324 48 ILE N N 118.458 0.02 . 492 325 49 LEU H H 7.675 0.01 . 493 325 49 LEU HA H 3.702 0.01 . 494 325 49 LEU HB2 H 1.665 0.01 . 495 325 49 LEU HB3 H 1.052 0.01 . 496 325 49 LEU HG H 1.684 0.01 . 497 325 49 LEU HD1 H 0.442 0.01 . 498 325 49 LEU HD2 H 0.678 0.01 . 499 325 49 LEU C C 180.673 0.02 . 500 325 49 LEU CA C 57.432 0.02 . 501 325 49 LEU CB C 39.906 0.02 . 502 325 49 LEU CG C 25.818 0.02 . 503 325 49 LEU CD1 C 21 0.02 . 504 325 49 LEU CD2 C 25.648 0.02 . 505 325 49 LEU N N 117.086 0.02 . 506 326 50 MET H H 8.247 0.01 . 507 326 50 MET HA H 3.991 0.01 . 508 326 50 MET HB2 H 2.289 0.01 . 509 326 50 MET HB3 H 1.882 0.01 . 510 326 50 MET HG2 H 2.031 0.01 . 511 326 50 MET HG3 H 2.289 0.01 . 512 326 50 MET HE H 1.823 0.01 . 513 326 50 MET C C 178.786 0.02 . 514 326 50 MET CA C 57.403 0.02 . 515 326 50 MET CB C 32.126 0.02 . 516 326 50 MET CG C 31.647 0.02 . 517 326 50 MET CE C 16.219 0.02 . 518 326 50 MET N N 119.281 0.02 . 519 327 51 SER H H 7.483 0.01 . 520 327 51 SER HA H 4.214 0.01 . 521 327 51 SER HB2 H 3.988 0.01 . 522 327 51 SER HB3 H 3.896 0.01 . 523 327 51 SER C C 174.264 0.02 . 524 327 51 SER CA C 60.445 0.02 . 525 327 51 SER CB C 62.748 0.02 . 526 327 51 SER N N 117.712 0.02 . 527 328 52 SER H H 7.503 0.01 . 528 328 52 SER HA H 4.184 0.01 . 529 328 52 SER HB2 H 3.769 0.01 . 530 328 52 SER HB3 H 3.729 0.01 . 531 328 52 SER C C 175.509 0.02 . 532 328 52 SER CA C 60.112 0.02 . 533 328 52 SER CB C 65.308 0.02 . 534 328 52 SER N N 115.177 0.02 . 535 329 53 GLY H H 7.612 0.01 . 536 329 53 GLY HA2 H 3.644 0.01 . 537 329 53 GLY HA3 H 4.025 0.01 . 538 329 53 GLY C C 174.094 0.02 . 539 329 53 GLY CA C 45.492 0.02 . 540 329 53 GLY N N 109.912 0.02 . 541 330 54 LEU H H 7.262 0.01 . 542 330 54 LEU HA H 4.417 0.01 . 543 330 54 LEU HB2 H 1.357 0.01 . 544 330 54 LEU HB3 H 1.034 0.01 . 545 330 54 LEU HG H 1.507 0.01 . 546 330 54 LEU HD1 H 0.722 0.01 . 547 330 54 LEU HD2 H 0.743 0.01 . 548 330 54 LEU CA C 52.815 0.02 . 549 330 54 LEU CB C 41.18 0.02 . 550 330 54 LEU CG C 27.198 0.02 . 551 330 54 LEU CD1 C 23.353 0.02 . 552 330 54 LEU CD2 C 26.436 0.02 . 553 330 54 LEU N N 121.039 0.02 . 554 331 55 PRO HA H 4.322 0.01 . 555 331 55 PRO HB2 H 2.387 0.01 . 556 331 55 PRO HB3 H 2.386 0.01 . 557 331 55 PRO HG2 H 1.999 0.01 . 558 331 55 PRO HG3 H 2 0.01 . 559 331 55 PRO HD2 H 3.249 0.01 . 560 331 55 PRO HD3 H 3.849 0.01 . 561 331 55 PRO CA C 62.367 0.02 . 562 331 55 PRO CB C 32.427 0.02 . 563 331 55 PRO CG C 27.903 0.02 . 564 331 55 PRO CD C 50.309 0.02 . 565 332 56 ARG HA H 3.698 0.01 . 566 332 56 ARG HB2 H 1.666 0.01 . 567 332 56 ARG HB3 H 1.738 0.01 . 568 332 56 ARG HG2 H 1.494 0.01 . 569 332 56 ARG HG3 H 1.597 0.01 . 570 332 56 ARG HD2 H 3.045 0.01 . 571 332 56 ARG HD3 H 3.046 0.01 . 572 332 56 ARG CA C 59.966 0.02 . 573 332 56 ARG CB C 29.877 0.02 . 574 332 56 ARG CD C 43.136 0.02 . 575 333 57 GLU HA H 3.949 0.01 . 576 333 57 GLU HB2 H 1.857 0.01 . 577 333 57 GLU HB3 H 1.858 0.01 . 578 333 57 GLU HG2 H 2.127 0.01 . 579 333 57 GLU HG3 H 2.226 0.01 . 580 333 57 GLU C C 179.11 0.02 . 581 333 57 GLU CA C 59.764 0.02 . 582 333 57 GLU CB C 28.776 0.02 . 583 333 57 GLU CG C 36.255 0.02 . 584 334 58 THR H H 6.955 0.01 . 585 334 58 THR HA H 3.922 0.01 . 586 334 58 THR HB H 3.985 0.01 . 587 334 58 THR HG2 H 1.168 0.01 . 588 334 58 THR CA C 66.068 0.02 . 589 334 58 THR CB C 68.101 0.02 . 590 334 58 THR CG2 C 22.554 0.02 . 591 334 58 THR N N 118.908 0.02 . 592 335 59 LEU H H 7.828 0.01 . 593 335 59 LEU HA H 3.772 0.01 . 594 335 59 LEU HB2 H 1.544 0.01 . 595 335 59 LEU HB3 H 1.24 0.01 . 596 335 59 LEU HG H 1.386 0.01 . 597 335 59 LEU HD1 H 0.562 0.01 . 598 335 59 LEU HD2 H 0.512 0.01 . 599 335 59 LEU C C 178.693 0.02 . 600 335 59 LEU CA C 58.184 0.02 . 601 335 59 LEU CB C 41.422 0.02 . 602 335 59 LEU CG C 27.16 0.02 . 603 335 59 LEU CD1 C 25.331 0.02 . 604 335 59 LEU CD2 C 24.127 0.02 . 605 335 59 LEU N N 122.362 0.02 . 606 336 60 GLY H H 8.287 0.01 . 607 336 60 GLY HA2 H 3.673 0.01 . 608 336 60 GLY HA3 H 3.771 0.01 . 609 336 60 GLY CA C 46.997 0.02 . 610 336 60 GLY N N 105.805 0.02 . 611 337 61 GLN H H 7.524 0.01 . 612 337 61 GLN HA H 4.063 0.01 . 613 337 61 GLN HB2 H 2.17 0.01 . 614 337 61 GLN HB3 H 2.052 0.01 . 615 337 61 GLN HG2 H 2.382 0.01 . 616 337 61 GLN HG3 H 2.247 0.01 . 617 337 61 GLN HE21 H 6.646 0.01 . 618 337 61 GLN HE22 H 7.264 0.01 . 619 337 61 GLN CA C 58.902 0.02 . 620 337 61 GLN CB C 28.436 0.02 . 621 337 61 GLN CG C 33.668 0.02 . 622 337 61 GLN N N 123.97 0.02 . 623 337 61 GLN NE2 N 111.63 0.02 . 624 338 62 ILE H H 7.94 0.01 . 625 338 62 ILE HA H 3.383 0.01 . 626 338 62 ILE HB H 1.832 0.01 . 627 338 62 ILE HG12 H 0.766 0.01 . 628 338 62 ILE HG13 H 0.767 0.01 . 629 338 62 ILE HG2 H 0.881 0.01 . 630 338 62 ILE HD1 H 0.553 0.01 . 631 338 62 ILE C C 176.949 0.02 . 632 338 62 ILE CA C 66.065 0.02 . 633 338 62 ILE CB C 38.747 0.02 . 634 338 62 ILE CG1 C 29.63 0.02 . 635 338 62 ILE CG2 C 18.399 0.02 . 636 338 62 ILE CD1 C 14.095 0.02 . 637 338 62 ILE N N 121.429 0.02 . 638 339 63 TRP H H 8.562 0.01 . 639 339 63 TRP HA H 3.673 0.01 . 640 339 63 TRP HB2 H 3.269 0.01 . 641 339 63 TRP HB3 H 3.182 0.01 . 642 339 63 TRP HD1 H 7.828 0.01 . 643 339 63 TRP HE1 H 8.74 0.01 . 644 339 63 TRP HE3 H 7.12 0.01 . 645 339 63 TRP HZ2 H 7.12 0.01 . 646 339 63 TRP HZ3 H 6.654 0.01 . 647 339 63 TRP HH2 H 6.921 0.01 . 648 339 63 TRP C C 177.371 0.02 . 649 339 63 TRP CA C 61.062 0.02 . 650 339 63 TRP CB C 28.971 0.02 . 651 339 63 TRP N N 120.236 0.02 . 652 339 63 TRP NE1 N 130.066 0.02 . 653 340 64 ALA H H 7.827 0.01 . 654 340 64 ALA HA H 4 0.01 . 655 340 64 ALA HB H 1.381 0.01 . 656 340 64 ALA C C 180.201 0.02 . 657 340 64 ALA CA C 54.403 0.02 . 658 340 64 ALA CB C 18.305 0.02 . 659 340 64 ALA N N 118.52 0.02 . 660 341 65 LEU H H 7.58 0.01 . 661 341 65 LEU HA H 3.935 0.01 . 662 341 65 LEU HB2 H 1.767 0.01 . 663 341 65 LEU HB3 H 1.094 0.01 . 664 341 65 LEU HG H 1.681 0.01 . 665 341 65 LEU HD1 H 0.69 0.01 . 666 341 65 LEU HD2 H 0.728 0.01 . 667 341 65 LEU CA C 56.662 0.02 . 668 341 65 LEU CB C 43.195 0.02 . 669 341 65 LEU CG C 26.69 0.02 . 670 341 65 LEU CD1 C 25.713 0.02 . 671 341 65 LEU CD2 C 23.353 0.02 . 672 341 65 LEU N N 117.198 0.02 . 673 343 67 ASN HA H 4.242 0.01 . 674 343 67 ASN HB2 H 2.548 0.01 . 675 343 67 ASN HB3 H 2.549 0.01 . 676 343 67 ASN HD21 H 7.5 0.01 . 677 343 67 ASN HD22 H 6.72 0.01 . 678 343 67 ASN CB C 38.469 0.02 . 679 343 67 ASN ND2 N 113.858 0.02 . 680 344 68 ARG H H 7.67 0.01 . 681 344 68 ARG HA H 4.083 0.01 . 682 344 68 ARG HG2 H 1.571 0.01 . 683 344 68 ARG HG3 H 1.57 0.01 . 684 344 68 ARG HD2 H 2.957 0.01 . 685 344 68 ARG HD3 H 2.958 0.01 . 686 344 68 ARG CA C 55.427 0.02 . 687 344 68 ARG CD C 43.192 0.02 . 688 345 69 THR H H 7.953 0.01 . 689 348 72 GLY HA2 H 3.827 0.01 . 690 348 72 GLY HA3 H 3.826 0.01 . 691 348 72 GLY CA C 45.506 0.02 . 692 350 74 LEU H H 7.483 0.01 . 693 350 74 LEU HA H 3.805 0.01 . 694 350 74 LEU HB2 H 1.788 0.01 . 695 350 74 LEU HB3 H 1.789 0.01 . 696 350 74 LEU HG H 1.026 0.01 . 697 350 74 LEU HD1 H 0.503 0.01 . 698 350 74 LEU HD2 H 0.574 0.01 . 699 350 74 LEU CD1 C 24.126 0.02 . 700 350 74 LEU CD2 C 23.542 0.02 . 701 350 74 LEU N N 117.712 0.02 . 702 351 75 THR H H 8.728 0.01 . 703 351 75 THR HA H 4.322 0.01 . 704 351 75 THR HB H 4.455 0.01 . 705 351 75 THR HG2 H 1.076 0.01 . 706 351 75 THR CA C 59.936 0.02 . 707 351 75 THR CB C 71.199 0.02 . 708 351 75 THR CG2 C 21.943 0.02 . 709 351 75 THR N N 121.059 0.02 . 710 352 76 LYS H H 8.751 0.01 . 711 352 76 LYS HA H 3.286 0.01 . 712 352 76 LYS HB2 H 1.368 0.01 . 713 352 76 LYS HB3 H 1.369 0.01 . 714 352 76 LYS HG2 H 0.863 0.01 . 715 352 76 LYS HG3 H 0.98 0.01 . 716 352 76 LYS HD2 H 1.46 0.01 . 717 352 76 LYS HD3 H 1.613 0.01 . 718 352 76 LYS HE2 H 2.875 0.01 . 719 352 76 LYS HE3 H 2.875 0.01 . 720 352 76 LYS CA C 59.469 0.02 . 721 352 76 LYS CB C 31.91 0.02 . 722 352 76 LYS CG C 24.122 0.02 . 723 352 76 LYS CD C 29.334 0.02 . 724 352 76 LYS CE C 41.966 0.02 . 725 352 76 LYS N N 120.603 0.02 . 726 353 77 GLU H H 8.32 0.01 . 727 353 77 GLU HA H 3.291 0.01 . 728 353 77 GLU HB2 H 1.719 0.01 . 729 353 77 GLU HB3 H 1.72 0.01 . 730 353 77 GLU HG2 H 2.267 0.01 . 731 353 77 GLU HG3 H 2.268 0.01 . 732 353 77 GLU CA C 61.184 0.02 . 733 353 77 GLU CB C 27.032 0.02 . 734 353 77 GLU CG C 37.752 0.02 . 735 353 77 GLU N N 116.907 0.02 . 736 354 78 GLU H H 7.341 0.01 . 737 354 78 GLU HA H 3.637 0.01 . 738 354 78 GLU HG2 H 2.197 0.01 . 739 354 78 GLU HG3 H 2.308 0.01 . 740 354 78 GLU CA C 58.901 0.02 . 741 354 78 GLU CB C 29.948 0.02 . 742 354 78 GLU CG C 36.255 0.02 . 743 354 78 GLU N N 121.876 0.02 . 744 355 79 LEU H H 7.965 0.01 . 745 355 79 LEU HA H 3.611 0.01 . 746 355 79 LEU HB2 H 0.994 0.01 . 747 355 79 LEU HB3 H 1.893 0.01 . 748 355 79 LEU HG H 1.224 0.01 . 749 355 79 LEU HD1 H 0.68 0.01 . 750 355 79 LEU HD2 H 0.689 0.01 . 751 355 79 LEU CA C 58.399 0.02 . 752 355 79 LEU CB C 39.658 0.02 . 753 355 79 LEU CG C 27.863 0.02 . 754 355 79 LEU CD1 C 24.418 0.02 . 755 355 79 LEU CD2 C 25.888 0.02 . 756 355 79 LEU N N 121.971 0.02 . 757 356 80 TYR HA H 3.853 0.01 . 758 356 80 TYR HB2 H 3.097 0.01 . 759 356 80 TYR HB3 H 3.215 0.01 . 760 356 80 TYR HD1 H 6.809 0.01 . 761 356 80 TYR HD2 H 6.809 0.01 . 762 356 80 TYR HE1 H 6.544 0.01 . 763 356 80 TYR HE2 H 6.544 0.01 . 764 356 80 TYR C C 177.245 0.02 . 765 356 80 TYR CA C 57.208 0.02 . 766 356 80 TYR CB C 36.845 0.02 . 767 356 80 TYR CD1 C 128.548 0.02 . 768 357 81 THR H H 7.557 0.01 . 769 357 81 THR HA H 3.609 0.01 . 770 357 81 THR HB H 4.358 0.01 . 771 357 81 THR HG2 H 1.056 0.01 . 772 357 81 THR C C 175.649 0.02 . 773 357 81 THR CA C 67.82 0.02 . 774 357 81 THR CB C 68.031 0.02 . 775 357 81 THR CG2 C 20.734 0.02 . 776 357 81 THR N N 115.616 0.02 . 777 358 82 VAL H H 8.089 0.01 . 778 358 82 VAL HA H 3.122 0.01 . 779 358 82 VAL HB H 2.199 0.01 . 780 358 82 VAL HG1 H 0.621 0.01 . 781 358 82 VAL HG2 H 0.712 0.01 . 782 358 82 VAL C C 177.548 0.02 . 783 358 82 VAL CA C 67.043 0.02 . 784 358 82 VAL CB C 30.943 0.02 . 785 358 82 VAL CG1 C 23.857 0.02 . 786 358 82 VAL CG2 C 21.67 0.02 . 787 358 82 VAL N N 123.371 0.02 . 788 359 83 LEU H H 8.122 0.01 . 789 359 83 LEU HA H 3.515 0.01 . 790 359 83 LEU HB2 H 0.645 0.01 . 791 359 83 LEU HB3 H 1.185 0.01 . 792 359 83 LEU HG H 1.687 0.01 . 793 359 83 LEU HD1 H 0.419 0.01 . 794 359 83 LEU HD2 H 0.46 0.01 . 795 359 83 LEU CA C 58.172 0.02 . 796 359 83 LEU CB C 40.669 0.02 . 797 359 83 LEU CG C 25.797 0.02 . 798 359 83 LEU CD1 C 26.592 0.02 . 799 359 83 LEU CD2 C 21.861 0.02 . 800 359 83 LEU N N 118.718 0.02 . 801 360 84 ALA H H 8.035 0.01 . 802 360 84 ALA HA H 3.974 0.01 . 803 360 84 ALA HB H 1.777 0.01 . 804 360 84 ALA C C 179.897 0.02 . 805 360 84 ALA CA C 55.389 0.02 . 806 360 84 ALA CB C 20.092 0.02 . 807 360 84 ALA N N 122.035 0.02 . 808 361 85 MET H H 8.487 0.01 . 809 361 85 MET HA H 3.842 0.01 . 810 361 85 MET HB2 H 1.881 0.01 . 811 361 85 MET HB3 H 2.105 0.01 . 812 361 85 MET HG2 H 2.258 0.01 . 813 361 85 MET HG3 H 2.865 0.01 . 814 361 85 MET HE H 1.753 0.01 . 815 361 85 MET C C 180.661 0.02 . 816 361 85 MET CA C 59.465 0.02 . 817 361 85 MET CB C 33.785 0.02 . 818 361 85 MET CG C 33.893 0.02 . 819 361 85 MET CE C 17.304 0.02 . 820 361 85 MET N N 116.757 0.02 . 821 362 86 ILE H H 8.757 0.01 . 822 362 86 ILE HA H 3.25 0.01 . 823 362 86 ILE HB H 1.902 0.01 . 824 362 86 ILE HG12 H 1.039 0.01 . 825 362 86 ILE HG13 H 1.148 0.01 . 826 362 86 ILE HG2 H 0.629 0.01 . 827 362 86 ILE HD1 H 0.553 0.01 . 828 362 86 ILE CA C 66.288 0.02 . 829 362 86 ILE CB C 37.601 0.02 . 830 362 86 ILE CG2 C 16.224 0.02 . 831 362 86 ILE CD1 C 14.095 0.02 . 832 362 86 ILE N N 123.988 0.02 . 833 363 87 ALA H H 7.767 0.01 . 834 363 87 ALA HA H 3.965 0.01 . 835 363 87 ALA HB H 1.039 0.01 . 836 363 87 ALA C C 180.363 0.02 . 837 363 87 ALA CA C 55.124 0.02 . 838 363 87 ALA CB C 17.817 0.02 . 839 363 87 ALA N N 122.774 0.02 . 840 364 88 VAL H H 8.041 0.01 . 841 364 88 VAL HA H 3.465 0.01 . 842 364 88 VAL HB H 1.949 0.01 . 843 364 88 VAL HG1 H 0.669 0.01 . 844 364 88 VAL HG2 H 0.773 0.01 . 845 364 88 VAL C C 178.157 0.02 . 846 364 88 VAL CA C 66.049 0.02 . 847 364 88 VAL CB C 31.064 0.02 . 848 364 88 VAL CG1 C 22.366 0.02 . 849 364 88 VAL CG2 C 21.552 0.02 . 850 364 88 VAL N N 114.009 0.02 . 851 365 89 THR H H 7.653 0.01 . 852 365 89 THR HA H 4.011 0.01 . 853 365 89 THR HB H 4.136 0.01 . 854 365 89 THR HG2 H 1.063 0.01 . 855 365 89 THR C C 179.052 0.02 . 856 365 89 THR CA C 67.112 0.02 . 857 365 89 THR CB C 67.855 0.02 . 858 365 89 THR CG2 C 21.96 0.02 . 859 365 89 THR N N 119.72 0.02 . 860 366 90 GLN H H 8.533 0.01 . 861 366 90 GLN HA H 3.844 0.01 . 862 366 90 GLN HB2 H 2.467 0.01 . 863 366 90 GLN HB3 H 1.857 0.01 . 864 366 90 GLN HG2 H 2.151 0.01 . 865 366 90 GLN HG3 H 2.632 0.01 . 866 366 90 GLN HE21 H 8.111 0.01 . 867 366 90 GLN HE22 H 7.214 0.01 . 868 366 90 GLN C C 177.548 0.02 . 869 366 90 GLN CA C 58.946 0.02 . 870 366 90 GLN CB C 28.745 0.02 . 871 366 90 GLN CG C 34.899 0.02 . 872 366 90 GLN N N 123.178 0.02 . 873 366 90 GLN NE2 N 114.478 0.02 . 874 367 91 ARG H H 7.24 0.01 . 875 367 91 ARG HA H 4.205 0.01 . 876 367 91 ARG HB2 H 1.779 0.01 . 877 367 91 ARG HB3 H 1.991 0.01 . 878 367 91 ARG HG2 H 1.622 0.01 . 879 367 91 ARG HG3 H 1.742 0.01 . 880 367 91 ARG HD2 H 2.862 0.01 . 881 367 91 ARG HD3 H 3.026 0.01 . 882 367 91 ARG C C 176.452 0.02 . 883 367 91 ARG CA C 56.134 0.02 . 884 367 91 ARG CB C 30.233 0.02 . 885 367 91 ARG CG C 26.873 0.02 . 886 367 91 ARG CD C 43.562 0.02 . 887 367 91 ARG N N 116.673 0.02 . 888 368 92 GLY H H 7.702 0.01 . 889 368 92 GLY HA2 H 3.617 0.01 . 890 368 92 GLY HA3 H 4.051 0.01 . 891 368 92 GLY C C 173.951 0.02 . 892 368 92 GLY CA C 45.474 0.02 . 893 368 92 GLY N N 107.751 0.02 . 894 369 93 VAL H H 7.425 0.01 . 895 369 93 VAL HA H 4.255 0.01 . 896 369 93 VAL HB H 1.852 0.01 . 897 369 93 VAL HG1 H 0.779 0.01 . 898 369 93 VAL HG2 H 0.833 0.01 . 899 369 93 VAL CA C 59.438 0.02 . 900 369 93 VAL CB C 33.033 0.02 . 901 369 93 VAL CG1 C 20.73 0.02 . 902 369 93 VAL CG2 C 20.73 0.02 . 903 369 93 VAL N N 122.81 0.02 . 904 370 94 PRO HA H 4.63 0.01 . 905 370 94 PRO HB2 H 1.915 0.01 . 906 370 94 PRO HB3 H 2.15 0.01 . 907 370 94 PRO HG2 H 1.63 0.01 . 908 370 94 PRO HG3 H 1.738 0.01 . 909 370 94 PRO HD2 H 3.287 0.01 . 910 370 94 PRO HD3 H 3.349 0.01 . 911 370 94 PRO C C 176.325 0.02 . 912 370 94 PRO CA C 62.638 0.02 . 913 370 94 PRO CB C 31.755 0.02 . 914 370 94 PRO CD C 50.405 0.02 . 915 371 95 ALA H H 8.105 0.01 . 916 371 95 ALA HA H 4.155 0.01 . 917 371 95 ALA HB H 1.085 0.01 . 918 371 95 ALA C C 176.14 0.02 . 919 371 95 ALA CA C 51.571 0.02 . 920 371 95 ALA CB C 18.819 0.02 . 921 371 95 ALA N N 125.742 0.02 . 922 372 96 MET H H 8.247 0.01 . 923 372 96 MET HA H 4.284 0.01 . 924 372 96 MET HB2 H 1.815 0.01 . 925 372 96 MET HB3 H 1.886 0.01 . 926 372 96 MET HG2 H 2.291 0.01 . 927 372 96 MET HG3 H 2.399 0.01 . 928 372 96 MET HE H 1.893 0.01 . 929 372 96 MET C C 175.057 0.02 . 930 372 96 MET CA C 54.894 0.02 . 931 372 96 MET CB C 32.539 0.02 . 932 372 96 MET CG C 32.093 0.02 . 933 372 96 MET CE C 17.07 0.02 . 934 372 96 MET N N 119.281 0.02 . 935 373 97 SER H H 7.548 0.01 . 936 373 97 SER HA H 4.618 0.01 . 937 373 97 SER HB2 H 3.925 0.01 . 938 373 97 SER HB3 H 3.653 0.01 . 939 373 97 SER CA C 55.713 0.02 . 940 373 97 SER CB C 64.042 0.02 . 941 373 97 SER N N 113.405 0.02 . 942 374 98 PRO HA H 4.132 0.01 . 943 374 98 PRO HB2 H 1.991 0.01 . 944 374 98 PRO HB3 H 2.138 0.01 . 945 374 98 PRO HG2 H 1.674 0.01 . 946 374 98 PRO HG3 H 1.874 0.01 . 947 374 98 PRO HD2 H 3.47 0.01 . 948 374 98 PRO HD3 H 3.782 0.01 . 949 374 98 PRO CA C 65.072 0.02 . 950 374 98 PRO CD C 50.798 0.02 . 951 375 99 ASP H H 8.086 0.01 . 952 375 99 ASP HA H 4.218 0.01 . 953 375 99 ASP HB2 H 2.412 0.01 . 954 375 99 ASP HB3 H 2.469 0.01 . 955 375 99 ASP C C 177.862 0.02 . 956 375 99 ASP CA C 55.896 0.02 . 957 375 99 ASP CB C 39.895 0.02 . 958 376 100 ALA H H 7.581 0.01 . 959 376 100 ALA HA H 4.091 0.01 . 960 376 100 ALA HB H 1.433 0.01 . 961 376 100 ALA C C 179.394 0.02 . 962 376 100 ALA CA C 54.003 0.02 . 963 376 100 ALA CB C 18.826 0.02 . 964 376 100 ALA N N 122.785 0.02 . 965 377 101 LEU H H 7.581 0.01 . 966 377 101 LEU HA H 4.218 0.01 . 967 377 101 LEU HB2 H 1.661 0.01 . 968 377 101 LEU HB3 H 1.836 0.01 . 969 377 101 LEU HG H 1.465 0.01 . 970 377 101 LEU HD1 H 0.774 0.01 . 971 377 101 LEU HD2 H 1.001 0.01 . 972 377 101 LEU C C 177.848 0.02 . 973 377 101 LEU CA C 56.198 0.02 . 974 377 101 LEU CB C 41.208 0.02 . 975 377 101 LEU CD1 C 22.501 0.02 . 976 377 101 LEU CD2 C 26.556 0.02 . 977 377 101 LEU N N 115.293 0.02 . 978 378 102 ASN H H 7.378 0.01 . 979 378 102 ASN HA H 4.084 0.01 . 980 378 102 ASN HB2 H 2.586 0.01 . 981 378 102 ASN HB3 H 2.585 0.01 . 982 378 102 ASN HD21 H 6.487 0.01 . 983 378 102 ASN HD22 H 7.286 0.01 . 984 378 102 ASN C C 175.971 0.02 . 985 378 102 ASN CA C 55.474 0.02 . 986 378 102 ASN CB C 37.819 0.02 . 987 378 102 ASN N N 114.982 0.02 . 988 378 102 ASN ND2 N 110.802 0.02 . 989 379 103 GLN H H 7.351 0.01 . 990 379 103 GLN HA H 4.066 0.01 . 991 379 103 GLN HB2 H 1.705 0.01 . 992 379 103 GLN HB3 H 1.847 0.01 . 993 379 103 GLN HG2 H 1.61 0.01 . 994 379 103 GLN HG3 H 2.003 0.01 . 995 379 103 GLN HE21 H 7.369 0.01 . 996 379 103 GLN HE22 H 6.743 0.01 . 997 379 103 GLN C C 175.514 0.02 . 998 379 103 GLN CA C 55.861 0.02 . 999 379 103 GLN CB C 28.971 0.02 . 1000 379 103 GLN CG C 33.43 0.02 . 1001 379 103 GLN N N 115.793 0.02 . 1002 379 103 GLN NE2 N 112.751 0.02 . 1003 380 104 PHE H H 7.669 0.01 . 1004 380 104 PHE HA H 4.807 0.01 . 1005 380 104 PHE HB2 H 3.408 0.01 . 1006 380 104 PHE HB3 H 3.245 0.01 . 1007 380 104 PHE HD1 H 7.347 0.01 . 1008 380 104 PHE HD2 H 7.347 0.01 . 1009 380 104 PHE HE1 H 7.185 0.01 . 1010 380 104 PHE HE2 H 7.185 0.01 . 1011 380 104 PHE HZ H 7.111 0.01 . 1012 380 104 PHE CA C 55.874 0.02 . 1013 380 104 PHE CB C 39.124 0.02 . 1014 380 104 PHE N N 121.944 0.02 . 1015 381 105 PRO HA H 4.466 0.01 . 1016 381 105 PRO HB2 H 1.893 0.01 . 1017 381 105 PRO HB3 H 1.894 0.01 . 1018 381 105 PRO HG2 H 2.209 0.01 . 1019 381 105 PRO HG3 H 2.21 0.01 . 1020 381 105 PRO HD2 H 3.94 0.01 . 1021 381 105 PRO HD3 H 3.941 0.01 . 1022 381 105 PRO C C 175.371 0.02 . 1023 381 105 PRO CA C 64.004 0.02 . 1024 381 105 PRO CB C 32.272 0.02 . 1025 381 105 PRO CD C 51.294 0.02 . 1026 382 106 ALA H H 7.273 0.01 . 1027 382 106 ALA HA H 4.061 0.01 . 1028 382 106 ALA HB H 0.958 0.01 . 1029 382 106 ALA CA C 49.233 0.02 . 1030 382 106 ALA CB C 21.613 0.02 . 1031 382 106 ALA N N 120.451 0.02 . 1032 383 107 ALA H H 7.369 0.01 . 1033 383 107 ALA HA H 1.46 0.01 . 1034 383 107 ALA HB H 0.358 0.01 . 1035 383 107 ALA CA C 49.155 0.02 . 1036 383 107 ALA CB C 18.984 0.02 . 1037 383 107 ALA N N 124.743 0.02 . 1038 384 108 PRO HA H 4.094 0.01 . 1039 384 108 PRO HB2 H 1.51 0.01 . 1040 384 108 PRO HB3 H 1.511 0.01 . 1041 384 108 PRO HG2 H 1.47 0.01 . 1042 384 108 PRO HG3 H 1.584 0.01 . 1043 384 108 PRO HD2 H 2.763 0.01 . 1044 384 108 PRO HD3 H 3.075 0.01 . 1045 384 108 PRO C C 175.661 0.02 . 1046 384 108 PRO CA C 60.915 0.02 . 1047 384 108 PRO CB C 31.505 0.02 . 1048 384 108 PRO CG C 27.37 0.02 . 1049 384 108 PRO CD C 51.216 0.02 . 1050 385 109 ILE H H 8.553 0.01 . 1051 385 109 ILE HA H 4.39 0.01 . 1052 385 109 ILE HB H 1.789 0.01 . 1053 385 109 ILE HG12 H 1.111 0.01 . 1054 385 109 ILE HG13 H 1.188 0.01 . 1055 385 109 ILE HG2 H 0.73 0.01 . 1056 385 109 ILE HD1 H 0.329 0.01 . 1057 385 109 ILE CA C 56.397 0.02 . 1058 385 109 ILE CB C 37.495 0.02 . 1059 385 109 ILE CG1 C 26.345 0.02 . 1060 385 109 ILE CG2 C 16.659 0.02 . 1061 385 109 ILE CD1 C 10.666 0.02 . 1062 385 109 ILE N N 128.748 0.02 . 1063 386 110 PRO HA H 4.338 0.01 . 1064 386 110 PRO HB2 H 2.387 0.01 . 1065 386 110 PRO HB3 H 2.386 0.01 . 1066 386 110 PRO HG2 H 1.999 0.01 . 1067 386 110 PRO HG3 H 2 0.01 . 1068 386 110 PRO HD2 H 3.249 0.01 . 1069 386 110 PRO HD3 H 3.849 0.01 . 1070 386 110 PRO CA C 62.287 0.02 . 1071 386 110 PRO CB C 32.427 0.02 . 1072 386 110 PRO CG C 27.903 0.02 . 1073 386 110 PRO CD C 50.309 0.02 . 1074 387 111 THR H H 9.359 0.01 . 1075 387 111 THR HA H 4.095 0.01 . 1076 387 111 THR HB H 3.875 0.01 . 1077 387 111 THR HG2 H 1.032 0.01 . 1078 387 111 THR CA C 62.776 0.02 . 1079 387 111 THR CB C 68.799 0.02 . 1080 387 111 THR CG2 C 21.55 0.02 . 1081 387 111 THR N N 119.895 0.02 . 1082 388 112 LEU H H 7.699 0.01 . 1083 388 112 LEU HA H 3.966 0.01 . 1084 388 112 LEU HB2 H 1.401 0.01 . 1085 388 112 LEU HB3 H 1.319 0.01 . 1086 388 112 LEU HG H 1.045 0.01 . 1087 388 112 LEU HD1 H 0.537 0.01 . 1088 388 112 LEU HD2 H 0.573 0.01 . 1089 388 112 LEU CA C 55.152 0.02 . 1090 388 112 LEU CB C 43.523 0.02 . 1091 388 112 LEU CG C 26.527 0.02 . 1092 388 112 LEU CD1 C 25.791 0.02 . 1093 388 112 LEU CD2 C 23.452 0.02 . 1094 388 112 LEU N N 134.049 0.02 . stop_ save_