data_34030 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of farnesylated PEX19, C-terminal domain ; _BMRB_accession_number 34030 _BMRB_flat_file_name bmr34030.str _Entry_type original _Submission_date 2016-08-04 _Accession_date 2016-08-04 _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 Emmanouilidis L. . . 2 Schuetz U. . . 3 Tripsianes K. . . 4 Madl T. . . 5 Radke J. . . 6 Rucktaeschel R. . . 7 Wilmanns M. . . 8 Schliebs W. . . 9 Erdmann R. . . 10 Sattler M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 881 "13C chemical shifts" 486 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-17 update BMRB 'update entry citation' 2017-03-08 original author 'original release' stop_ _Original_release_date 2017-03-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Allosteric modulation of peroxisomal membrane protein recognition by farnesylation of the peroxisomal import receptor PEX19. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28281558 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Emmanouilidis Leonidas . . 2 Schutz Ulrike . . 3 Tripsianes Konstantinos . . 4 Madl Tobias . . 5 Radke Juliane . . 6 Rucktaschel Robert . . 7 Wilmanns Matthias . . 8 Schliebs Wolfgang . . 9 Erdmann Ralf . . 10 Sattler Michael . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 8 _Journal_issue . _Journal_ISSN 2041-1723 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 14635 _Page_last 14635 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Peroxisomal biogenesis factor 19' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_FAR stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 15664.643 _Mol_thiol_state 'other bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 139 _Mol_residue_sequence ; GMDEGDGEGNILPIMQSIMQ NLLSKDVLYPSLKEITEKYP EWLQSHRESLPPEQFEKYQE QHSVMCKICEQFEAETPTDS ETTQKARFEMVLDLMQQLQD LGHPPKELAGEMPPGLNFDL DALNLSGPPGASGEQCLIM ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 161 GLY 2 162 MET 3 163 ASP 4 164 GLU 5 165 GLY 6 166 ASP 7 167 GLY 8 168 GLU 9 169 GLY 10 170 ASN 11 171 ILE 12 172 LEU 13 173 PRO 14 174 ILE 15 175 MET 16 176 GLN 17 177 SER 18 178 ILE 19 179 MET 20 180 GLN 21 181 ASN 22 182 LEU 23 183 LEU 24 184 SER 25 185 LYS 26 186 ASP 27 187 VAL 28 188 LEU 29 189 TYR 30 190 PRO 31 191 SER 32 192 LEU 33 193 LYS 34 194 GLU 35 195 ILE 36 196 THR 37 197 GLU 38 198 LYS 39 199 TYR 40 200 PRO 41 201 GLU 42 202 TRP 43 203 LEU 44 204 GLN 45 205 SER 46 206 HIS 47 207 ARG 48 208 GLU 49 209 SER 50 210 LEU 51 211 PRO 52 212 PRO 53 213 GLU 54 214 GLN 55 215 PHE 56 216 GLU 57 217 LYS 58 218 TYR 59 219 GLN 60 220 GLU 61 221 GLN 62 222 HIS 63 223 SER 64 224 VAL 65 225 MET 66 226 CYS 67 227 LYS 68 228 ILE 69 229 CYS 70 230 GLU 71 231 GLN 72 232 PHE 73 233 GLU 74 234 ALA 75 235 GLU 76 236 THR 77 237 PRO 78 238 THR 79 239 ASP 80 240 SER 81 241 GLU 82 242 THR 83 243 THR 84 244 GLN 85 245 LYS 86 246 ALA 87 247 ARG 88 248 PHE 89 249 GLU 90 250 MET 91 251 VAL 92 252 LEU 93 253 ASP 94 254 LEU 95 255 MET 96 256 GLN 97 257 GLN 98 258 LEU 99 259 GLN 100 260 ASP 101 261 LEU 102 262 GLY 103 263 HIS 104 264 PRO 105 265 PRO 106 266 LYS 107 267 GLU 108 268 LEU 109 269 ALA 110 270 GLY 111 271 GLU 112 272 MET 113 273 PRO 114 274 PRO 115 275 GLY 116 276 LEU 117 277 ASN 118 278 PHE 119 279 ASP 120 280 LEU 121 281 ASP 122 282 ALA 123 283 LEU 124 284 ASN 125 285 LEU 126 286 SER 127 287 GLY 128 288 PRO 129 289 PRO 130 290 GLY 131 291 ALA 132 292 SER 133 293 GLY 134 294 GLU 135 295 GLN 136 296 CYS 137 297 LEU 138 298 ILE 139 299 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_FAR _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_FAR (FARNESYL)" _BMRB_code FAR _PDB_code FAR _Molecular_mass 206.367 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C4 C4 C . 0 . ? C10 C10 C . 0 . ? H11 H11 H . 0 . ? H12A H12A H . 0 . ? H13 H13 H . 0 . ? H2 H2 H . 0 . ? H51 H51 H . 0 . ? H52 H52 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H7 H7 H . 0 . ? H91 H91 H . 0 . ? H92 H92 H . 0 . ? H111 H111 H . 0 . ? H112 H112 H . 0 . ? H12 H12 H . 0 . ? H141 H141 H . 0 . ? H142 H142 H . 0 . ? H143 H143 H . 0 . ? H151 H151 H . 0 . ? H152 H152 H . 0 . ? H153 H153 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H43 H43 H . 0 . ? H101 H101 H . 0 . ? H102 H102 H . 0 . ? H103 H103 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C1 C2 ? ? SING C1 H11 ? ? SING C1 H12A ? ? SING C1 H13 ? ? DOUB C2 C3 ? ? SING C2 H2 ? ? SING C3 C5 ? ? SING C3 C4 ? ? SING C5 C6 ? ? SING C5 H51 ? ? SING C5 H52 ? ? SING C6 C7 ? ? SING C6 H61 ? ? SING C6 H62 ? ? DOUB C7 C8 ? ? SING C7 H7 ? ? SING C8 C9 ? ? SING C8 C10 ? ? SING C9 C11 ? ? SING C9 H91 ? ? SING C9 H92 ? ? SING C11 C12 ? ? SING C11 H111 ? ? SING C11 H112 ? ? DOUB C12 C13 ? ? SING C12 H12 ? ? SING C13 C14 ? ? SING C13 C15 ? ? SING C14 H141 ? ? SING C14 H142 ? ? SING C14 H143 ? ? SING C15 H151 ? ? SING C15 H152 ? ? SING C15 H153 ? ? SING C4 H41 ? ? SING C4 H42 ? ? SING C4 H43 ? ? SING C10 H101 ? ? SING C10 H102 ? ? SING C10 H103 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'PEX19, HK33, PXF, OK/SW-cl.22' 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_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM {U-1H,13C,15N; farnesyl-[1H,12C]} PEX19, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-1H; U-13C; U-15N]' $entity_FAR 1 mM '[U-1H; U-12C]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1 mM {U-2H,12C,15N; Leu-[1H,13C,15N]; farnesyl-[1H,12C]} PEX19, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-2H; U-12C; U-15N]; Leu-[1H,13C,15N]' $entity_FAR 1 mM '[U-1H; U-12C]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '1 mM {U-2H,12C,15N; Lle-[1H,13C,15N]; farnesyl-[1H,12C]} PEX19, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-2H; U-12C; U-15N]; Lle-[1H,13C,15N]' $entity_FAR 1 mM '[U-1H; U-12C]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '1 mM {U-2H,12C,15N; Met-[1H,13CH3,15N]; farnesyl-[1H,12C]} PEX19, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-2H; U-12C; U-15N]; Met-[1H,13CH3,15N]' $entity_FAR 1 mM '[U-1H; U-12C]' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details '1 mM {U-2H,12C,15N; Ile(delta1),Leu(delta),Val(gamma)-[13CH3]; farnesyl-[1H,12C]} PEX19, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-2H; U-12C; U-15N]; Ile(delta1),Leu(delta),Val(gamma)-[13CH3]' $entity_FAR 1 mM '[U-1H; U-12C]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'BRUNGER A. T. ET.AL.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 750 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N 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 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 161 1 GLY H H 8.393 0.020 1 2 161 1 GLY HA2 H 3.912 0.012 1 3 161 1 GLY HA3 H 3.912 0.012 1 4 161 1 GLY N N 109.972 0.200 1 5 162 2 MET H H 8.116 0.020 1 6 162 2 MET HA H 4.400 0.020 1 7 162 2 MET HB2 H 1.894 0.020 1 8 162 2 MET HB3 H 1.894 0.020 1 9 162 2 MET HG2 H 2.008 0.002 1 10 162 2 MET HG3 H 2.008 0.002 1 11 162 2 MET CA C 55.449 0.200 1 12 162 2 MET CB C 33.032 0.200 1 13 162 2 MET CG C 32.947 0.051 1 14 162 2 MET N N 119.678 0.129 1 15 163 3 ASP H H 8.387 0.010 1 16 163 3 ASP HA H 4.500 0.020 1 17 163 3 ASP HB2 H 2.511 0.020 2 18 163 3 ASP HB3 H 2.626 0.020 2 19 163 3 ASP CA C 54.507 0.020 1 20 163 3 ASP CB C 41.291 0.054 1 21 163 3 ASP N N 121.328 0.003 1 22 164 4 GLU H H 8.362 0.020 1 23 164 4 GLU HA H 4.186 0.020 1 24 164 4 GLU N N 121.308 0.005 1 25 165 5 GLY H H 8.372 0.020 1 26 165 5 GLY HA2 H 3.881 0.003 1 27 165 5 GLY HA3 H 3.881 0.003 1 28 165 5 GLY N N 109.513 0.038 1 29 166 6 ASP H H 8.204 0.001 1 30 166 6 ASP HA H 4.545 0.020 1 31 166 6 ASP HB2 H 2.605 0.008 1 32 166 6 ASP HB3 H 2.605 0.008 1 33 166 6 ASP CA C 54.449 0.002 1 34 166 6 ASP CB C 41.373 0.040 1 35 166 6 ASP N N 120.313 0.043 1 36 167 7 GLY H H 8.357 0.040 1 37 167 7 GLY HA2 H 3.885 0.004 1 38 167 7 GLY HA3 H 3.885 0.004 1 39 167 7 GLY CA C 45.494 0.046 1 40 167 7 GLY N N 109.211 0.028 1 41 168 8 GLU H H 8.283 0.006 1 42 168 8 GLU HA H 4.190 0.013 1 43 168 8 GLU HB2 H 1.994 0.020 2 44 168 8 GLU HB3 H 1.853 0.020 2 45 168 8 GLU HG2 H 2.152 0.020 1 46 168 8 GLU HG3 H 2.152 0.020 1 47 168 8 GLU CA C 56.855 0.057 1 48 168 8 GLU CB C 30.268 0.061 1 49 168 8 GLU N N 120.442 0.106 1 50 169 9 GLY H H 8.381 0.020 1 51 169 9 GLY HA2 H 3.839 0.020 1 52 169 9 GLY HA3 H 3.839 0.020 1 53 169 9 GLY CA C 45.514 0.200 1 54 169 9 GLY N N 109.334 0.102 1 55 170 10 ASN H H 8.199 0.023 1 56 170 10 ASN HA H 4.633 0.009 1 57 170 10 ASN HB2 H 2.694 0.007 2 58 170 10 ASN HB3 H 2.626 0.003 2 59 170 10 ASN HD21 H 6.821 0.004 1 60 170 10 ASN HD22 H 7.542 0.015 1 61 170 10 ASN CA C 53.259 0.200 1 62 170 10 ASN CB C 39.071 0.066 1 63 170 10 ASN N N 118.573 0.067 1 64 170 10 ASN ND2 N 112.919 0.027 1 65 171 11 ILE H H 8.049 0.022 1 66 171 11 ILE HA H 4.084 0.011 1 67 171 11 ILE HB H 1.767 0.005 1 68 171 11 ILE HG12 H 1.342 0.008 2 69 171 11 ILE HG13 H 1.081 0.014 2 70 171 11 ILE HG2 H 0.784 0.003 1 71 171 11 ILE HD1 H 0.745 0.008 1 72 171 11 ILE CA C 61.132 0.044 1 73 171 11 ILE CB C 38.754 0.059 1 74 171 11 ILE CG1 C 27.347 0.042 1 75 171 11 ILE CG2 C 17.672 0.063 1 76 171 11 ILE CD1 C 13.046 0.051 1 77 171 11 ILE N N 120.722 0.045 1 78 172 12 LEU H H 8.271 0.014 1 79 172 12 LEU HA H 4.456 0.007 1 80 172 12 LEU HB2 H 1.542 0.020 2 81 172 12 LEU HB3 H 1.473 0.020 2 82 172 12 LEU HG H 1.564 0.020 1 83 172 12 LEU HD1 H 0.826 0.020 2 84 172 12 LEU HD2 H 0.795 0.010 2 85 172 12 LEU CA C 54.157 0.099 1 86 172 12 LEU CB C 41.541 0.073 1 87 172 12 LEU CG C 27.207 0.200 1 88 172 12 LEU CD1 C 25.141 0.004 2 89 172 12 LEU CD2 C 23.619 0.022 2 90 172 12 LEU N N 127.156 0.027 1 91 173 13 PRO HA H 4.323 0.018 1 92 173 13 PRO HB2 H 1.810 0.003 2 93 173 13 PRO HB3 H 2.204 0.020 2 94 173 13 PRO HG2 H 1.942 0.003 2 95 173 13 PRO HG3 H 1.917 0.020 2 96 173 13 PRO HD2 H 3.740 0.019 2 97 173 13 PRO HD3 H 3.539 0.004 2 98 173 13 PRO CA C 63.750 0.092 1 99 173 13 PRO CB C 31.916 0.089 1 100 173 13 PRO CG C 27.660 0.047 1 101 173 13 PRO CD C 50.585 0.046 1 102 174 14 ILE H H 7.993 0.020 1 103 174 14 ILE HA H 3.971 0.010 1 104 174 14 ILE HB H 1.800 0.009 1 105 174 14 ILE HG12 H 1.427 0.007 2 106 174 14 ILE HG13 H 1.128 0.015 2 107 174 14 ILE HG2 H 0.804 0.009 1 108 174 14 ILE HD1 H 0.787 0.020 1 109 174 14 ILE CA C 62.367 0.028 1 110 174 14 ILE CB C 38.427 0.065 1 111 174 14 ILE CG1 C 28.062 0.056 1 112 174 14 ILE CG2 C 17.673 0.015 1 113 174 14 ILE CD1 C 13.245 0.032 1 114 174 14 ILE N N 120.052 0.024 1 115 175 15 MET H H 8.255 0.016 1 116 175 15 MET HA H 4.268 0.013 1 117 175 15 MET HB2 H 1.978 0.015 1 118 175 15 MET HB3 H 1.978 0.015 1 119 175 15 MET HG2 H 2.522 0.020 2 120 175 15 MET HG3 H 2.430 0.020 2 121 175 15 MET HE H 1.950 0.020 1 122 175 15 MET CA C 56.331 0.200 1 123 175 15 MET CB C 32.276 0.039 1 124 175 15 MET CG C 32.322 0.042 1 125 175 15 MET CE C 17.084 0.200 1 126 175 15 MET N N 121.987 0.046 1 127 176 16 GLN H H 8.186 0.005 1 128 176 16 GLN HA H 4.057 0.020 1 129 176 16 GLN HB2 H 1.961 0.020 1 130 176 16 GLN HB3 H 1.961 0.020 1 131 176 16 GLN HG2 H 2.247 0.020 1 132 176 16 GLN HG3 H 2.247 0.020 1 133 176 16 GLN HE21 H 7.382 0.002 1 134 176 16 GLN HE22 H 6.723 0.001 1 135 176 16 GLN CA C 57.951 0.064 1 136 176 16 GLN CB C 29.033 0.264 1 137 176 16 GLN N N 119.905 0.024 1 138 176 16 GLN NE2 N 111.396 0.054 1 139 177 17 SER H H 8.038 0.028 1 140 177 17 SER HA H 4.226 0.020 1 141 177 17 SER HB2 H 3.888 0.020 2 142 177 17 SER HB3 H 3.826 0.020 2 143 177 17 SER CA C 60.077 0.034 1 144 177 17 SER CB C 63.510 0.037 1 145 177 17 SER N N 115.568 0.129 1 146 178 18 ILE H H 8.009 0.005 1 147 178 18 ILE HA H 3.882 0.009 1 148 178 18 ILE HB H 1.849 0.006 1 149 178 18 ILE HG12 H 1.548 0.007 2 150 178 18 ILE HG13 H 1.070 0.009 2 151 178 18 ILE HG2 H 0.790 0.001 1 152 178 18 ILE HD1 H 0.765 0.005 1 153 178 18 ILE CA C 64.066 0.043 1 154 178 18 ILE CB C 38.354 0.015 1 155 178 18 ILE CG1 C 28.529 0.058 1 156 178 18 ILE CG2 C 17.560 0.018 1 157 178 18 ILE CD1 C 13.577 0.035 1 158 178 18 ILE N N 122.082 0.056 1 159 179 19 MET H H 8.189 0.016 1 160 179 19 MET HA H 4.147 0.004 1 161 179 19 MET HB2 H 2.068 0.020 2 162 179 19 MET HB3 H 2.422 0.020 2 163 179 19 MET HG2 H 2.586 0.003 1 164 179 19 MET HG3 H 2.586 0.003 1 165 179 19 MET HE H 1.901 0.020 1 166 179 19 MET CA C 57.980 0.003 1 167 179 19 MET CB C 32.395 0.081 1 168 179 19 MET CG C 32.514 0.081 1 169 179 19 MET CE C 17.162 0.200 1 170 179 19 MET N N 119.322 0.041 1 171 180 20 GLN H H 8.043 0.005 1 172 180 20 GLN HA H 3.896 0.007 1 173 180 20 GLN HB2 H 1.911 0.004 1 174 180 20 GLN HB3 H 1.911 0.004 1 175 180 20 GLN HG2 H 2.146 0.003 2 176 180 20 GLN HG3 H 2.018 0.020 2 177 180 20 GLN HE21 H 7.251 0.005 1 178 180 20 GLN HE22 H 6.623 0.003 1 179 180 20 GLN CA C 58.485 0.200 1 180 180 20 GLN CB C 28.599 0.050 1 181 180 20 GLN CG C 34.195 0.045 1 182 180 20 GLN N N 117.129 0.058 1 183 180 20 GLN NE2 N 111.254 0.029 1 184 181 21 ASN H H 7.783 0.002 1 185 181 21 ASN HA H 4.499 0.005 1 186 181 21 ASN HB2 H 2.754 0.012 1 187 181 21 ASN HB3 H 2.754 0.012 1 188 181 21 ASN HD21 H 6.848 0.002 1 189 181 21 ASN HD22 H 7.512 0.020 1 190 181 21 ASN CA C 55.393 0.232 1 191 181 21 ASN CB C 39.228 0.043 1 192 181 21 ASN N N 116.143 0.050 1 193 181 21 ASN ND2 N 112.513 0.081 1 194 182 22 LEU H H 8.044 0.014 1 195 182 22 LEU HA H 4.130 0.001 1 196 182 22 LEU HB2 H 1.690 0.019 2 197 182 22 LEU HB3 H 1.493 0.018 2 198 182 22 LEU HG H 1.678 0.020 1 199 182 22 LEU HD1 H 0.745 0.012 2 200 182 22 LEU HD2 H 0.875 0.020 2 201 182 22 LEU CA C 57.129 0.164 1 202 182 22 LEU CB C 42.712 0.080 1 203 182 22 LEU CG C 27.044 0.064 1 204 182 22 LEU CD1 C 25.559 0.200 2 205 182 22 LEU CD2 C 25.017 0.200 2 206 182 22 LEU N N 119.788 0.021 1 207 183 23 LEU H H 7.563 0.009 1 208 183 23 LEU HA H 4.467 0.001 1 209 183 23 LEU HB2 H 1.755 0.011 2 210 183 23 LEU HB3 H 1.716 0.020 2 211 183 23 LEU HG H 1.710 0.005 1 212 183 23 LEU HD1 H 0.726 0.004 2 213 183 23 LEU HD2 H 0.707 0.020 2 214 183 23 LEU CA C 53.934 0.066 1 215 183 23 LEU CB C 40.860 0.050 1 216 183 23 LEU CG C 27.348 0.007 1 217 183 23 LEU CD1 C 26.022 0.074 2 218 183 23 LEU CD2 C 24.048 0.094 2 219 183 23 LEU N N 114.427 0.077 1 220 184 24 SER H H 7.466 0.011 1 221 184 24 SER HA H 4.488 0.006 1 222 184 24 SER HB2 H 4.078 0.003 2 223 184 24 SER HB3 H 4.015 0.020 2 224 184 24 SER CA C 58.031 0.200 1 225 184 24 SER CB C 65.054 0.043 1 226 184 24 SER N N 113.448 0.014 1 227 185 25 LYS H H 8.953 0.038 1 228 185 25 LYS HA H 4.067 0.020 1 229 185 25 LYS HB2 H 1.650 0.020 2 230 185 25 LYS HB3 H 1.700 0.024 2 231 185 25 LYS HG2 H 1.115 0.009 1 232 185 25 LYS HG3 H 1.115 0.009 1 233 185 25 LYS HD2 H 1.469 0.008 1 234 185 25 LYS HD3 H 1.469 0.008 1 235 185 25 LYS HE2 H 2.259 0.012 2 236 185 25 LYS HE3 H 2.570 0.003 2 237 185 25 LYS CB C 32.752 0.081 1 238 185 25 LYS CG C 25.433 0.094 1 239 185 25 LYS CD C 29.554 0.017 1 240 185 25 LYS CE C 42.167 0.051 1 241 186 26 ASP H H 8.188 0.021 1 242 186 26 ASP HA H 4.265 0.020 1 243 186 26 ASP HB2 H 2.452 0.008 2 244 186 26 ASP HB3 H 2.583 0.003 2 245 186 26 ASP CA C 56.401 0.045 1 246 186 26 ASP CB C 40.847 0.039 1 247 186 26 ASP N N 114.099 0.089 1 248 187 27 VAL H H 7.172 0.018 1 249 187 27 VAL HA H 3.907 0.017 1 250 187 27 VAL HB H 2.004 0.001 1 251 187 27 VAL HG1 H 0.865 0.002 2 252 187 27 VAL HG2 H 0.831 0.005 2 253 187 27 VAL CA C 64.282 0.064 1 254 187 27 VAL CB C 33.338 0.029 1 255 187 27 VAL CG1 C 21.763 0.011 2 256 187 27 VAL CG2 C 21.896 0.028 2 257 187 27 VAL N N 116.275 0.080 1 258 188 28 LEU H H 8.088 0.010 1 259 188 28 LEU HA H 4.191 0.007 1 260 188 28 LEU HB2 H 1.823 0.006 2 261 188 28 LEU HB3 H 1.562 0.024 2 262 188 28 LEU HG H 1.588 0.020 1 263 188 28 LEU HD1 H 0.931 0.018 2 264 188 28 LEU HD2 H 0.966 0.020 2 265 188 28 LEU CA C 57.317 0.073 1 266 188 28 LEU CB C 43.865 0.039 1 267 188 28 LEU CG C 27.417 0.127 1 268 188 28 LEU CD1 C 24.248 0.047 2 269 188 28 LEU CD2 C 25.323 0.041 2 270 188 28 LEU N N 119.958 0.096 1 271 189 29 TYR H H 7.821 0.020 1 272 189 29 TYR HA H 4.034 0.020 1 273 189 29 TYR HB2 H 3.072 0.020 2 274 189 29 TYR HB3 H 2.125 0.020 2 275 189 29 TYR HD1 H 6.934 0.016 3 276 189 29 TYR HD2 H 6.934 0.016 3 277 189 29 TYR HE1 H 6.778 0.009 3 278 189 29 TYR HE2 H 6.778 0.009 3 279 189 29 TYR CA C 63.125 0.023 1 280 189 29 TYR CB C 36.271 0.041 1 281 189 29 TYR CD1 C 133.184 0.042 3 282 189 29 TYR CD2 C 133.184 0.042 3 283 189 29 TYR CE1 C 117.684 0.049 3 284 189 29 TYR CE2 C 117.684 0.049 3 285 189 29 TYR N N 115.279 0.089 1 286 190 30 PRO HA H 3.772 0.004 1 287 190 30 PRO HB2 H 2.162 0.001 2 288 190 30 PRO HB3 H 1.745 0.007 2 289 190 30 PRO HG2 H 2.059 0.011 2 290 190 30 PRO HG3 H 1.887 0.003 2 291 190 30 PRO HD2 H 3.906 0.007 2 292 190 30 PRO HD3 H 3.289 0.008 2 293 190 30 PRO CA C 66.711 0.088 1 294 190 30 PRO CB C 30.616 0.048 1 295 190 30 PRO CG C 28.863 0.027 1 296 190 30 PRO CD C 49.433 0.063 1 297 191 31 SER H H 7.385 0.013 1 298 191 31 SER HA H 4.168 0.020 1 299 191 31 SER HB2 H 3.756 0.016 1 300 191 31 SER HB3 H 3.756 0.016 1 301 191 31 SER CA C 61.889 0.097 1 302 191 31 SER CB C 63.255 0.230 1 303 191 31 SER N N 111.866 0.077 1 304 192 32 LEU H H 7.854 0.024 1 305 192 32 LEU HA H 3.954 0.015 1 306 192 32 LEU HB2 H 1.601 0.001 2 307 192 32 LEU HB3 H 1.402 0.027 2 308 192 32 LEU HG H 1.633 0.020 1 309 192 32 LEU HD1 H 0.837 0.006 2 310 192 32 LEU HD2 H 0.824 0.020 2 311 192 32 LEU CA C 57.733 0.134 1 312 192 32 LEU CB C 42.627 0.172 1 313 192 32 LEU CG C 26.969 0.200 1 314 192 32 LEU CD1 C 25.727 0.125 2 315 192 32 LEU CD2 C 25.113 0.200 2 316 192 32 LEU N N 121.612 0.059 1 317 193 33 LYS H H 9.004 0.009 1 318 193 33 LYS HA H 3.897 0.011 1 319 193 33 LYS HB2 H 1.457 0.009 2 320 193 33 LYS HB3 H 0.954 0.026 2 321 193 33 LYS HG2 H 1.152 0.020 2 322 193 33 LYS HG3 H 1.106 0.016 2 323 193 33 LYS HD2 H 1.718 0.003 2 324 193 33 LYS HD3 H 1.312 0.016 2 325 193 33 LYS HE2 H 2.867 0.006 2 326 193 33 LYS HE3 H 2.766 0.014 2 327 193 33 LYS CA C 58.382 0.185 1 328 193 33 LYS CB C 31.644 0.078 1 329 193 33 LYS CG C 23.978 0.081 1 330 193 33 LYS CD C 29.149 0.074 1 331 193 33 LYS CE C 42.429 0.200 1 332 193 33 LYS N N 122.446 0.068 1 333 194 34 GLU H H 7.216 0.024 1 334 194 34 GLU HA H 3.950 0.019 1 335 194 34 GLU HB2 H 2.019 0.011 2 336 194 34 GLU HB3 H 1.965 0.020 2 337 194 34 GLU HG2 H 2.128 0.007 2 338 194 34 GLU HG3 H 2.235 0.010 2 339 194 34 GLU CA C 59.428 0.069 1 340 194 34 GLU CB C 29.555 0.050 1 341 194 34 GLU CG C 36.038 0.035 1 342 194 34 GLU N N 117.266 0.035 1 343 195 35 ILE H H 7.520 0.021 1 344 195 35 ILE HA H 3.598 0.025 1 345 195 35 ILE HB H 1.810 0.022 1 346 195 35 ILE HG12 H 1.656 0.020 2 347 195 35 ILE HG13 H 0.876 0.014 2 348 195 35 ILE HG2 H 0.747 0.020 1 349 195 35 ILE HD1 H 0.603 0.002 1 350 195 35 ILE CA C 65.584 0.070 1 351 195 35 ILE CB C 38.052 0.053 1 352 195 35 ILE CG1 C 29.308 0.095 1 353 195 35 ILE CG2 C 18.247 0.122 1 354 195 35 ILE CD1 C 13.894 0.040 1 355 195 35 ILE N N 117.303 0.103 1 356 196 36 THR H H 8.460 0.010 1 357 196 36 THR HA H 4.046 0.015 1 358 196 36 THR HB H 4.308 0.019 1 359 196 36 THR HG1 H 4.866 0.010 1 360 196 36 THR HG2 H 1.311 0.009 1 361 196 36 THR CA C 67.811 0.050 1 362 196 36 THR CB C 69.050 0.074 1 363 196 36 THR CG2 C 24.250 0.123 1 364 196 36 THR N N 114.069 0.040 1 365 197 37 GLU H H 7.786 0.017 1 366 197 37 GLU HA H 4.169 0.009 1 367 197 37 GLU HB2 H 2.119 0.016 2 368 197 37 GLU HB3 H 2.054 0.006 2 369 197 37 GLU HG2 H 2.431 0.019 2 370 197 37 GLU HG3 H 2.243 0.024 2 371 197 37 GLU CA C 58.576 0.190 1 372 197 37 GLU CB C 29.840 0.131 1 373 197 37 GLU CG C 36.885 0.121 1 374 197 37 GLU N N 118.476 0.088 1 375 198 38 LYS H H 7.498 0.008 1 376 198 38 LYS HA H 4.319 0.004 1 377 198 38 LYS HB2 H 1.825 0.018 2 378 198 38 LYS HB3 H 1.741 0.020 2 379 198 38 LYS HG2 H 1.673 0.048 2 380 198 38 LYS HG3 H 1.438 0.010 2 381 198 38 LYS HD2 H 1.590 0.010 2 382 198 38 LYS HD3 H 1.527 0.001 2 383 198 38 LYS HE2 H 2.849 0.029 1 384 198 38 LYS HE3 H 2.849 0.029 1 385 198 38 LYS CA C 57.471 0.093 1 386 198 38 LYS CB C 34.787 0.102 1 387 198 38 LYS CG C 25.718 0.056 1 388 198 38 LYS CD C 29.548 0.060 1 389 198 38 LYS CE C 42.283 0.200 1 390 198 38 LYS N N 117.892 0.071 1 391 199 39 TYR H H 7.910 0.002 1 392 199 39 TYR HA H 4.278 0.012 1 393 199 39 TYR HB2 H 3.179 0.028 2 394 199 39 TYR HB3 H 2.536 0.007 2 395 199 39 TYR HD1 H 7.062 0.016 3 396 199 39 TYR HD2 H 7.062 0.016 3 397 199 39 TYR HE1 H 6.322 0.006 3 398 199 39 TYR HE2 H 6.322 0.006 3 399 199 39 TYR CA C 62.065 0.061 1 400 199 39 TYR CB C 37.816 0.060 1 401 199 39 TYR CD1 C 131.641 0.042 3 402 199 39 TYR CD2 C 131.641 0.042 3 403 199 39 TYR CE1 C 117.410 0.200 3 404 199 39 TYR CE2 C 117.410 0.200 3 405 199 39 TYR N N 122.367 0.056 1 406 200 40 PRO HA H 4.008 0.006 1 407 200 40 PRO HB2 H 2.238 0.020 2 408 200 40 PRO HB3 H 1.864 0.006 2 409 200 40 PRO HG2 H 2.186 0.012 2 410 200 40 PRO HG3 H 1.425 0.010 2 411 200 40 PRO HD2 H 3.608 0.025 2 412 200 40 PRO HD3 H 3.465 0.010 2 413 200 40 PRO CA C 67.741 0.053 1 414 200 40 PRO CB C 31.197 0.116 1 415 200 40 PRO CG C 28.878 0.078 1 416 200 40 PRO CD C 50.617 0.090 1 417 201 41 GLU H H 8.303 0.017 1 418 201 41 GLU HA H 4.053 0.011 1 419 201 41 GLU HB2 H 2.044 0.020 1 420 201 41 GLU HB3 H 2.044 0.020 1 421 201 41 GLU HG2 H 2.284 0.020 2 422 201 41 GLU HG3 H 2.252 0.020 2 423 201 41 GLU CA C 59.346 0.143 1 424 201 41 GLU CB C 29.533 0.200 1 425 201 41 GLU CG C 36.587 0.007 1 426 201 41 GLU N N 117.751 0.042 1 427 202 42 TRP H H 7.659 0.014 1 428 202 42 TRP HA H 4.078 0.002 1 429 202 42 TRP HB2 H 3.455 0.027 2 430 202 42 TRP HB3 H 3.129 0.005 2 431 202 42 TRP HD1 H 7.045 0.020 1 432 202 42 TRP HE1 H 9.720 0.013 1 433 202 42 TRP HE3 H 7.023 0.007 1 434 202 42 TRP HZ2 H 6.866 0.004 1 435 202 42 TRP HZ3 H 6.526 0.020 1 436 202 42 TRP HH2 H 6.660 0.008 1 437 202 42 TRP CA C 63.046 0.033 1 438 202 42 TRP CB C 30.262 0.049 1 439 202 42 TRP CD1 C 126.713 0.077 1 440 202 42 TRP CE3 C 119.171 0.019 1 441 202 42 TRP CZ2 C 114.550 0.082 1 442 202 42 TRP CZ3 C 120.955 0.200 1 443 202 42 TRP CH2 C 124.463 0.014 1 444 202 42 TRP N N 122.381 0.016 1 445 202 42 TRP NE1 N 129.887 0.054 1 446 203 43 LEU H H 9.464 0.012 1 447 203 43 LEU HA H 3.991 0.016 1 448 203 43 LEU HB2 H 2.053 0.009 2 449 203 43 LEU HB3 H 1.633 0.004 2 450 203 43 LEU HG H 1.963 0.020 1 451 203 43 LEU HD1 H 0.499 0.018 2 452 203 43 LEU HD2 H 0.736 0.006 2 453 203 43 LEU CA C 59.105 0.026 1 454 203 43 LEU CB C 41.430 0.048 1 455 203 43 LEU CG C 27.714 0.105 1 456 203 43 LEU CD1 C 25.583 0.037 2 457 203 43 LEU CD2 C 23.534 0.035 2 458 203 43 LEU N N 121.534 0.020 1 459 204 44 GLN H H 8.061 0.011 1 460 204 44 GLN HA H 4.032 0.019 1 461 204 44 GLN HB2 H 2.157 0.003 2 462 204 44 GLN HB3 H 2.127 0.023 2 463 204 44 GLN HG2 H 2.409 0.009 1 464 204 44 GLN HG3 H 2.409 0.009 1 465 204 44 GLN HE21 H 7.445 0.020 1 466 204 44 GLN HE22 H 6.793 0.020 1 467 204 44 GLN CA C 59.156 0.047 1 468 204 44 GLN CB C 28.347 0.121 1 469 204 44 GLN CG C 33.565 0.033 1 470 204 44 GLN N N 117.007 0.015 1 471 204 44 GLN NE2 N 111.775 0.140 1 472 205 45 SER H H 7.880 0.006 1 473 205 45 SER HA H 4.171 0.020 1 474 205 45 SER HB2 H 3.704 0.020 1 475 205 45 SER HB3 H 3.704 0.020 1 476 205 45 SER CA C 59.960 0.023 1 477 205 45 SER CB C 63.629 0.041 1 478 205 45 SER N N 111.628 0.072 1 479 206 46 HIS H H 7.512 0.006 1 480 206 46 HIS HA H 4.326 0.001 1 481 206 46 HIS HB2 H 2.822 0.001 2 482 206 46 HIS HB3 H 1.695 0.020 2 483 206 46 HIS HD2 H 6.768 0.012 1 484 206 46 HIS HE1 H 7.850 0.007 1 485 206 46 HIS CA C 57.311 0.071 1 486 206 46 HIS CB C 27.855 0.089 1 487 206 46 HIS CD2 C 118.933 0.213 1 488 206 46 HIS CE1 C 135.293 0.038 1 489 206 46 HIS N N 116.078 0.095 1 490 207 47 ARG H H 7.325 0.019 1 491 207 47 ARG HA H 3.443 0.011 1 492 207 47 ARG HB2 H 1.710 0.004 2 493 207 47 ARG HB3 H 1.551 0.007 2 494 207 47 ARG HG2 H 0.479 0.008 2 495 207 47 ARG HG3 H 1.107 0.011 2 496 207 47 ARG HD2 H 2.840 0.007 2 497 207 47 ARG HD3 H 2.786 0.020 2 498 207 47 ARG HE H 6.980 0.015 1 499 207 47 ARG CA C 60.362 0.044 1 500 207 47 ARG CB C 30.295 0.083 1 501 207 47 ARG CG C 26.252 0.063 1 502 207 47 ARG CD C 43.460 0.135 1 503 207 47 ARG N N 122.264 0.054 1 504 207 47 ARG NE N 84.545 0.041 1 505 208 48 GLU H H 8.332 0.011 1 506 208 48 GLU HA H 4.046 0.029 1 507 208 48 GLU HB2 H 1.967 0.020 2 508 208 48 GLU HB3 H 1.773 0.001 2 509 208 48 GLU HG2 H 2.097 0.009 1 510 208 48 GLU HG3 H 2.097 0.009 1 511 208 48 GLU CA C 57.929 0.099 1 512 208 48 GLU CB C 29.356 0.045 1 513 208 48 GLU CG C 36.728 0.020 1 514 208 48 GLU N N 113.976 0.068 1 515 209 49 SER H H 7.519 0.009 1 516 209 49 SER HA H 4.477 0.030 1 517 209 49 SER HB2 H 3.882 0.020 2 518 209 49 SER HB3 H 3.734 0.001 2 519 209 49 SER CA C 58.241 0.105 1 520 209 49 SER CB C 64.262 0.040 1 521 209 49 SER N N 111.718 0.023 1 522 210 50 LEU H H 7.211 0.020 1 523 210 50 LEU HA H 4.906 0.006 1 524 210 50 LEU HB2 H 1.832 0.005 2 525 210 50 LEU HB3 H 1.437 0.018 2 526 210 50 LEU HG H 1.992 0.007 1 527 210 50 LEU HD1 H 1.210 0.002 2 528 210 50 LEU HD2 H 1.224 0.010 2 529 210 50 LEU CA C 52.326 0.032 1 530 210 50 LEU CB C 44.732 0.071 1 531 210 50 LEU CG C 26.659 0.044 1 532 210 50 LEU CD1 C 27.667 0.043 2 533 210 50 LEU CD2 C 24.180 0.048 2 534 210 50 LEU N N 122.660 0.041 1 535 211 51 PRO HA H 4.791 0.020 1 536 211 51 PRO HB2 H 2.542 0.006 2 537 211 51 PRO HB3 H 1.873 0.017 2 538 211 51 PRO HG2 H 2.128 0.008 1 539 211 51 PRO HG3 H 2.128 0.008 1 540 211 51 PRO HD2 H 4.051 0.010 2 541 211 51 PRO HD3 H 3.601 0.003 2 542 211 51 PRO CA C 61.553 0.049 1 543 211 51 PRO CB C 31.620 0.089 1 544 211 51 PRO CG C 28.376 0.043 1 545 211 51 PRO CD C 50.876 0.079 1 546 212 52 PRO HA H 4.249 0.013 1 547 212 52 PRO HB2 H 2.380 0.003 2 548 212 52 PRO HB3 H 2.001 0.014 2 549 212 52 PRO HG2 H 2.162 0.002 2 550 212 52 PRO HG3 H 2.026 0.020 2 551 212 52 PRO HD2 H 3.856 0.008 1 552 212 52 PRO HD3 H 3.856 0.008 1 553 212 52 PRO CA C 66.023 0.031 1 554 212 52 PRO CB C 32.061 0.078 1 555 212 52 PRO CG C 27.846 0.129 1 556 212 52 PRO CD C 50.862 0.132 1 557 213 53 GLU H H 9.561 0.009 1 558 213 53 GLU HA H 4.121 0.020 1 559 213 53 GLU HB2 H 1.974 0.020 1 560 213 53 GLU HB3 H 1.974 0.020 1 561 213 53 GLU HG2 H 2.310 0.020 2 562 213 53 GLU HG3 H 2.235 0.020 2 563 213 53 GLU CA C 59.556 0.041 1 564 213 53 GLU CB C 28.346 0.063 1 565 213 53 GLU CG C 36.251 0.044 1 566 213 53 GLU N N 116.297 0.045 1 567 214 54 GLN H H 7.265 0.009 1 568 214 54 GLN HA H 3.972 0.020 1 569 214 54 GLN HB2 H 2.087 0.013 1 570 214 54 GLN HB3 H 2.087 0.013 1 571 214 54 GLN HG2 H 2.319 0.020 2 572 214 54 GLN HG3 H 2.191 0.020 2 573 214 54 GLN HE21 H 6.552 0.010 1 574 214 54 GLN HE22 H 6.959 0.001 1 575 214 54 GLN CA C 57.669 0.058 1 576 214 54 GLN CB C 29.494 0.059 1 577 214 54 GLN CG C 34.111 0.079 1 578 214 54 GLN N N 119.021 0.037 1 579 214 54 GLN NE2 N 112.208 0.034 1 580 215 55 PHE H H 8.183 0.013 1 581 215 55 PHE HA H 4.040 0.020 1 582 215 55 PHE HB2 H 3.206 0.018 2 583 215 55 PHE HB3 H 3.168 0.005 2 584 215 55 PHE HD1 H 7.130 0.020 3 585 215 55 PHE HD2 H 7.130 0.020 3 586 215 55 PHE HE1 H 7.331 0.014 3 587 215 55 PHE HE2 H 7.331 0.014 3 588 215 55 PHE HZ H 7.200 0.020 1 589 215 55 PHE CA C 63.201 0.030 1 590 215 55 PHE CB C 39.843 0.058 1 591 215 55 PHE CD1 C 131.659 0.134 3 592 215 55 PHE CD2 C 131.659 0.134 3 593 215 55 PHE CE1 C 131.547 0.200 3 594 215 55 PHE CE2 C 131.547 0.200 3 595 215 55 PHE CZ C 129.777 0.200 1 596 215 55 PHE N N 120.234 0.089 1 597 216 56 GLU H H 8.385 0.016 1 598 216 56 GLU HA H 3.931 0.020 1 599 216 56 GLU HB2 H 2.011 0.008 1 600 216 56 GLU HB3 H 2.011 0.008 1 601 216 56 GLU HG2 H 2.441 0.008 2 602 216 56 GLU HG3 H 2.320 0.003 2 603 216 56 GLU CA C 59.372 0.012 1 604 216 56 GLU CB C 29.522 0.077 1 605 216 56 GLU CG C 36.444 0.096 1 606 216 56 GLU N N 115.654 0.090 1 607 217 57 LYS H H 7.039 0.008 1 608 217 57 LYS HA H 4.030 0.020 1 609 217 57 LYS HB2 H 1.710 0.020 2 610 217 57 LYS HB3 H 1.650 0.013 2 611 217 57 LYS HG2 H 1.250 0.003 2 612 217 57 LYS HG3 H 1.528 0.003 2 613 217 57 LYS HD2 H 1.569 0.006 1 614 217 57 LYS HD3 H 1.569 0.006 1 615 217 57 LYS HE2 H 2.772 0.017 1 616 217 57 LYS HE3 H 2.772 0.017 1 617 217 57 LYS CA C 59.520 0.029 1 618 217 57 LYS CB C 31.972 0.075 1 619 217 57 LYS CG C 25.087 0.073 1 620 217 57 LYS CD C 29.333 0.135 1 621 217 57 LYS CE C 42.031 0.036 1 622 217 57 LYS N N 119.661 0.018 1 623 218 58 TYR H H 7.684 0.026 1 624 218 58 TYR HA H 4.345 0.006 1 625 218 58 TYR HB2 H 3.232 0.006 2 626 218 58 TYR HB3 H 2.846 0.009 2 627 218 58 TYR HD1 H 7.079 0.011 3 628 218 58 TYR HD2 H 7.079 0.011 3 629 218 58 TYR HE1 H 6.891 0.016 3 630 218 58 TYR HE2 H 6.891 0.016 3 631 218 58 TYR CA C 59.215 0.087 1 632 218 58 TYR CB C 37.765 0.044 1 633 218 58 TYR CD1 C 132.419 0.076 3 634 218 58 TYR CD2 C 132.419 0.076 3 635 218 58 TYR CE1 C 117.617 0.051 3 636 218 58 TYR CE2 C 117.617 0.051 3 637 218 58 TYR N N 118.524 0.052 1 638 219 59 GLN H H 8.369 0.027 1 639 219 59 GLN HA H 3.694 0.001 1 640 219 59 GLN HB2 H 1.875 0.020 2 641 219 59 GLN HB3 H 1.844 0.020 2 642 219 59 GLN HG2 H 1.976 0.020 1 643 219 59 GLN HG3 H 1.976 0.020 1 644 219 59 GLN HE21 H 7.294 0.013 1 645 219 59 GLN HE22 H 6.801 0.020 1 646 219 59 GLN CA C 59.741 0.031 1 647 219 59 GLN CB C 29.317 0.018 1 648 219 59 GLN CG C 35.027 0.055 1 649 219 59 GLN N N 118.827 0.046 1 650 219 59 GLN NE2 N 111.762 0.057 1 651 220 60 GLU H H 8.047 0.005 1 652 220 60 GLU HA H 4.084 0.010 1 653 220 60 GLU HB2 H 2.121 0.020 1 654 220 60 GLU HB3 H 2.121 0.020 1 655 220 60 GLU HG2 H 2.304 0.003 2 656 220 60 GLU HG3 H 2.250 0.004 2 657 220 60 GLU CA C 59.136 0.058 1 658 220 60 GLU CB C 28.871 0.200 1 659 220 60 GLU CG C 36.032 0.134 1 660 220 60 GLU N N 121.577 0.115 1 661 221 61 GLN H H 8.400 0.026 1 662 221 61 GLN HA H 3.609 0.017 1 663 221 61 GLN HB2 H 2.545 0.020 2 664 221 61 GLN HB3 H 2.045 0.020 2 665 221 61 GLN HG2 H 2.359 0.014 2 666 221 61 GLN HG3 H 2.761 0.007 2 667 221 61 GLN HE21 H 6.309 0.016 1 668 221 61 GLN HE22 H 5.857 0.020 1 669 221 61 GLN CA C 59.688 0.042 1 670 221 61 GLN CB C 28.834 0.093 1 671 221 61 GLN CG C 34.401 0.067 1 672 221 61 GLN N N 119.957 0.043 1 673 221 61 GLN NE2 N 108.196 0.047 1 674 222 62 HIS H H 7.740 0.018 1 675 222 62 HIS HA H 3.856 0.020 1 676 222 62 HIS HB2 H 2.915 0.009 2 677 222 62 HIS HB3 H 2.167 0.020 2 678 222 62 HIS HD2 H 6.889 0.006 1 679 222 62 HIS HE1 H 7.678 0.020 1 680 222 62 HIS CA C 60.149 0.086 1 681 222 62 HIS CB C 30.021 0.072 1 682 222 62 HIS CD2 C 118.887 0.200 1 683 222 62 HIS CE1 C 138.136 0.200 1 684 222 62 HIS N N 117.450 0.075 1 685 223 63 SER H H 7.886 0.012 1 686 223 63 SER HA H 3.781 0.020 1 687 223 63 SER HB2 H 3.928 0.016 1 688 223 63 SER HB3 H 3.928 0.016 1 689 223 63 SER CA C 61.917 0.057 1 690 223 63 SER CB C 62.879 0.039 1 691 223 63 SER N N 114.548 0.029 1 692 224 64 VAL H H 8.350 0.021 1 693 224 64 VAL HA H 3.387 0.007 1 694 224 64 VAL HB H 1.977 0.019 1 695 224 64 VAL HG1 H 0.835 0.020 2 696 224 64 VAL HG2 H 0.912 0.015 2 697 224 64 VAL CA C 67.297 0.069 1 698 224 64 VAL CB C 31.819 0.050 1 699 224 64 VAL CG1 C 23.876 0.023 2 700 224 64 VAL CG2 C 23.766 0.059 2 701 224 64 VAL N N 121.663 0.063 1 702 225 65 MET H H 8.615 0.006 1 703 225 65 MET HA H 3.771 0.027 1 704 225 65 MET HB2 H 2.184 0.020 2 705 225 65 MET HB3 H 2.111 0.013 2 706 225 65 MET HG2 H 2.973 0.006 2 707 225 65 MET HG3 H 2.123 0.003 2 708 225 65 MET HE H 1.952 0.020 1 709 225 65 MET CA C 61.248 0.103 1 710 225 65 MET CB C 33.080 0.061 1 711 225 65 MET CG C 35.440 0.030 1 712 225 65 MET CE C 18.573 0.027 1 713 225 65 MET N N 119.005 0.041 1 714 226 66 CYS H H 8.440 0.013 1 715 226 66 CYS HA H 3.955 0.006 1 716 226 66 CYS HB2 H 2.928 0.024 2 717 226 66 CYS HB3 H 2.639 0.024 2 718 226 66 CYS CA C 64.900 0.059 1 719 226 66 CYS CB C 26.494 0.038 1 720 226 66 CYS N N 117.772 0.076 1 721 227 67 LYS H H 7.659 0.025 1 722 227 67 LYS HA H 3.950 0.015 1 723 227 67 LYS HB2 H 2.062 0.011 2 724 227 67 LYS HB3 H 1.752 0.010 2 725 227 67 LYS HG2 H 1.587 0.020 2 726 227 67 LYS HG3 H 1.329 0.035 2 727 227 67 LYS HD2 H 1.448 0.028 1 728 227 67 LYS HD3 H 1.448 0.028 1 729 227 67 LYS HE2 H 2.782 0.004 1 730 227 67 LYS HE3 H 2.782 0.004 1 731 227 67 LYS CA C 59.739 0.057 1 732 227 67 LYS CB C 32.904 0.092 1 733 227 67 LYS CG C 26.048 0.101 1 734 227 67 LYS CD C 29.401 0.141 1 735 227 67 LYS CE C 42.156 0.021 1 736 227 67 LYS N N 120.547 0.062 1 737 228 68 ILE H H 8.164 0.019 1 738 228 68 ILE HA H 3.246 0.013 1 739 228 68 ILE HB H 1.950 0.018 1 740 228 68 ILE HG12 H 1.939 0.020 2 741 228 68 ILE HG13 H 0.589 0.025 2 742 228 68 ILE HG2 H 0.792 0.009 1 743 228 68 ILE HD1 H 0.657 0.003 1 744 228 68 ILE CA C 66.839 0.071 1 745 228 68 ILE CB C 38.151 0.084 1 746 228 68 ILE CG1 C 31.516 0.056 1 747 228 68 ILE CG2 C 19.582 0.121 1 748 228 68 ILE CD1 C 14.264 0.042 1 749 228 68 ILE N N 120.915 0.034 1 750 229 69 CYS H H 8.256 0.019 1 751 229 69 CYS HA H 4.187 0.020 1 752 229 69 CYS HB2 H 3.300 0.006 2 753 229 69 CYS HB3 H 2.965 0.011 2 754 229 69 CYS HG H 2.551 0.005 1 755 229 69 CYS CA C 66.357 0.087 1 756 229 69 CYS CB C 26.755 0.055 1 757 229 69 CYS N N 117.517 0.044 1 758 230 70 GLU H H 8.241 0.004 1 759 230 70 GLU HA H 3.913 0.013 1 760 230 70 GLU HB2 H 1.956 0.020 2 761 230 70 GLU HB3 H 2.055 0.020 2 762 230 70 GLU HG2 H 2.374 0.003 2 763 230 70 GLU HG3 H 2.113 0.020 2 764 230 70 GLU CA C 59.567 0.025 1 765 230 70 GLU CB C 29.755 0.030 1 766 230 70 GLU CG C 36.586 0.119 1 767 230 70 GLU N N 117.825 0.037 1 768 231 71 GLN H H 7.347 0.015 1 769 231 71 GLN HA H 3.800 0.017 1 770 231 71 GLN HB2 H 1.833 0.002 2 771 231 71 GLN HB3 H 1.689 0.020 2 772 231 71 GLN HG2 H 2.518 0.004 2 773 231 71 GLN HG3 H 1.764 0.003 2 774 231 71 GLN HE21 H 7.706 0.020 1 775 231 71 GLN HE22 H 6.744 0.011 1 776 231 71 GLN CA C 58.092 0.044 1 777 231 71 GLN CB C 27.618 0.076 1 778 231 71 GLN CG C 33.205 0.048 1 779 231 71 GLN N N 117.003 0.043 1 780 231 71 GLN NE2 N 115.001 0.063 1 781 232 72 PHE H H 7.447 0.017 1 782 232 72 PHE HA H 4.315 0.001 1 783 232 72 PHE HB2 H 2.822 0.001 2 784 232 72 PHE HB3 H 2.412 0.008 2 785 232 72 PHE HD1 H 7.280 0.012 3 786 232 72 PHE HD2 H 7.280 0.012 3 787 232 72 PHE HE1 H 7.188 0.009 3 788 232 72 PHE HE2 H 7.188 0.009 3 789 232 72 PHE HZ H 7.211 0.012 1 790 232 72 PHE CA C 60.500 0.032 1 791 232 72 PHE CB C 39.181 0.119 1 792 232 72 PHE CD1 C 130.959 0.053 3 793 232 72 PHE CD2 C 130.959 0.053 3 794 232 72 PHE CE1 C 131.031 0.091 3 795 232 72 PHE CE2 C 131.031 0.091 3 796 232 72 PHE CZ C 130.078 0.200 1 797 232 72 PHE N N 115.975 0.045 1 798 233 73 GLU H H 8.381 0.017 1 799 233 73 GLU HA H 3.777 0.001 1 800 233 73 GLU HB2 H 1.948 0.020 1 801 233 73 GLU HB3 H 1.948 0.020 1 802 233 73 GLU HG2 H 2.413 0.020 1 803 233 73 GLU HG3 H 2.413 0.020 1 804 233 73 GLU CA C 58.082 0.036 1 805 233 73 GLU CB C 28.925 0.130 1 806 233 73 GLU CG C 36.415 0.200 1 807 233 73 GLU N N 118.769 0.019 1 808 234 74 ALA H H 7.173 0.016 1 809 234 74 ALA HA H 4.196 0.010 1 810 234 74 ALA HB H 1.371 0.020 1 811 234 74 ALA CA C 52.211 0.031 1 812 234 74 ALA CB C 19.391 0.005 1 813 234 74 ALA N N 119.922 0.026 1 814 235 75 GLU H H 6.954 0.013 1 815 235 75 GLU HA H 4.150 0.022 1 816 235 75 GLU HB2 H 1.938 0.004 2 817 235 75 GLU HB3 H 1.890 0.005 2 818 235 75 GLU HG2 H 2.395 0.013 2 819 235 75 GLU HG3 H 2.034 0.003 2 820 235 75 GLU CA C 57.757 0.035 1 821 235 75 GLU CB C 30.449 0.064 1 822 235 75 GLU CG C 36.293 0.097 1 823 235 75 GLU N N 119.198 0.087 1 824 236 76 THR H H 8.412 0.020 1 825 236 76 THR HA H 5.041 0.007 1 826 236 76 THR HB H 4.306 0.008 1 827 236 76 THR HG2 H 1.175 0.026 1 828 236 76 THR CA C 59.382 0.060 1 829 236 76 THR CB C 70.625 0.025 1 830 236 76 THR CG2 C 21.329 0.078 1 831 236 76 THR N N 116.668 0.053 1 832 237 77 PRO HA H 4.446 0.008 1 833 237 77 PRO HB2 H 2.386 0.010 2 834 237 77 PRO HB3 H 1.896 0.006 2 835 237 77 PRO HG2 H 1.950 0.001 2 836 237 77 PRO HG3 H 1.984 0.004 2 837 237 77 PRO HD2 H 3.829 0.012 2 838 237 77 PRO HD3 H 3.804 0.013 2 839 237 77 PRO CA C 64.257 0.116 1 840 237 77 PRO CB C 32.614 0.068 1 841 237 77 PRO CG C 27.622 0.101 1 842 237 77 PRO CD C 51.362 0.071 1 843 238 78 THR H H 7.375 0.011 1 844 238 78 THR HA H 4.364 0.020 1 845 238 78 THR HB H 4.464 0.020 1 846 238 78 THR HG2 H 1.048 0.006 1 847 238 78 THR CA C 60.412 0.011 1 848 238 78 THR CB C 68.368 0.011 1 849 238 78 THR CG2 C 21.617 0.004 1 850 238 78 THR N N 105.023 0.060 1 851 239 79 ASP H H 7.213 0.013 1 852 239 79 ASP HA H 4.428 0.003 1 853 239 79 ASP HB2 H 2.441 0.024 2 854 239 79 ASP HB3 H 2.747 0.020 2 855 239 79 ASP CA C 55.295 0.099 1 856 239 79 ASP CB C 41.522 0.065 1 857 239 79 ASP N N 123.318 0.099 1 858 240 80 SER H H 8.913 0.017 1 859 240 80 SER HA H 4.389 0.020 1 860 240 80 SER HB2 H 4.042 0.005 2 861 240 80 SER HB3 H 4.345 0.020 2 862 240 80 SER CA C 57.230 0.087 1 863 240 80 SER CB C 65.405 0.102 1 864 240 80 SER N N 119.132 0.046 1 865 241 81 GLU H H 9.136 0.008 1 866 241 81 GLU HA H 3.987 0.020 1 867 241 81 GLU HB2 H 2.010 0.001 2 868 241 81 GLU HB3 H 2.036 0.020 2 869 241 81 GLU HG2 H 2.311 0.020 2 870 241 81 GLU HG3 H 2.216 0.031 2 871 241 81 GLU CA C 60.131 0.156 1 872 241 81 GLU CB C 29.438 0.017 1 873 241 81 GLU CG C 36.674 0.058 1 874 241 81 GLU N N 121.809 0.027 1 875 242 82 THR H H 7.988 0.019 1 876 242 82 THR HA H 3.889 0.006 1 877 242 82 THR HB H 4.022 0.011 1 878 242 82 THR HG2 H 1.183 0.001 1 879 242 82 THR CA C 66.245 0.151 1 880 242 82 THR CB C 68.517 0.098 1 881 242 82 THR CG2 C 22.050 0.015 1 882 242 82 THR N N 113.667 0.101 1 883 243 83 THR H H 7.813 0.019 1 884 243 83 THR HA H 3.846 0.004 1 885 243 83 THR HB H 4.217 0.020 1 886 243 83 THR HG2 H 1.106 0.010 1 887 243 83 THR CA C 66.613 0.047 1 888 243 83 THR CB C 68.521 0.068 1 889 243 83 THR CG2 C 21.840 0.029 1 890 243 83 THR N N 122.707 0.035 1 891 244 84 GLN H H 8.443 0.012 1 892 244 84 GLN HA H 3.980 0.020 1 893 244 84 GLN HB2 H 2.063 0.020 1 894 244 84 GLN HB3 H 2.063 0.020 1 895 244 84 GLN HG2 H 2.301 0.007 2 896 244 84 GLN HG3 H 2.379 0.004 2 897 244 84 GLN HE21 H 7.117 0.001 1 898 244 84 GLN HE22 H 6.764 0.020 1 899 244 84 GLN CA C 59.536 0.206 1 900 244 84 GLN CG C 34.246 0.185 1 901 244 84 GLN N N 121.156 0.032 1 902 244 84 GLN NE2 N 111.724 0.063 1 903 245 85 LYS H H 8.332 0.019 1 904 245 85 LYS HA H 4.063 0.021 1 905 245 85 LYS HB2 H 1.853 0.004 1 906 245 85 LYS HB3 H 1.853 0.004 1 907 245 85 LYS HG2 H 1.364 0.020 2 908 245 85 LYS HG3 H 1.503 0.020 2 909 245 85 LYS HD2 H 1.634 0.020 1 910 245 85 LYS HD3 H 1.634 0.020 1 911 245 85 LYS HE2 H 2.891 0.009 1 912 245 85 LYS HE3 H 2.891 0.009 1 913 245 85 LYS CA C 59.767 0.018 1 914 245 85 LYS CB C 32.591 0.041 1 915 245 85 LYS CG C 25.224 0.099 1 916 245 85 LYS CD C 29.495 0.045 1 917 245 85 LYS CE C 42.199 0.007 1 918 245 85 LYS N N 121.322 0.035 1 919 246 86 ALA H H 7.818 0.006 1 920 246 86 ALA HA H 4.118 0.020 1 921 246 86 ALA HB H 1.404 0.027 1 922 246 86 ALA CA C 54.918 0.128 1 923 246 86 ALA CB C 17.929 0.016 1 924 246 86 ALA N N 120.929 0.013 1 925 247 87 ARG H H 7.966 0.011 1 926 247 87 ARG HA H 3.951 0.041 1 927 247 87 ARG HB2 H 1.786 0.020 1 928 247 87 ARG HB3 H 1.786 0.020 1 929 247 87 ARG HG2 H 1.650 0.020 2 930 247 87 ARG HG3 H 1.386 0.020 2 931 247 87 ARG HD2 H 3.127 0.010 1 932 247 87 ARG HD3 H 3.127 0.010 1 933 247 87 ARG HE H 7.011 0.020 1 934 247 87 ARG CA C 59.633 0.065 1 935 247 87 ARG CB C 29.450 0.046 1 936 247 87 ARG CG C 27.600 0.099 1 937 247 87 ARG CD C 43.386 0.045 1 938 247 87 ARG N N 119.867 0.020 1 939 247 87 ARG NE N 85.195 0.080 1 940 248 88 PHE H H 8.115 0.025 1 941 248 88 PHE HA H 4.101 0.028 1 942 248 88 PHE HB2 H 3.213 0.009 1 943 248 88 PHE HB3 H 3.213 0.009 1 944 248 88 PHE HD1 H 7.190 0.008 3 945 248 88 PHE HD2 H 7.190 0.008 3 946 248 88 PHE HE1 H 7.188 0.020 3 947 248 88 PHE HE2 H 7.188 0.020 3 948 248 88 PHE HZ H 7.085 0.020 1 949 248 88 PHE CA C 61.307 0.015 1 950 248 88 PHE CB C 38.888 0.015 1 951 248 88 PHE CD1 C 132.177 0.137 3 952 248 88 PHE CD2 C 132.177 0.137 3 953 248 88 PHE CE1 C 131.495 0.200 3 954 248 88 PHE CE2 C 131.495 0.200 3 955 248 88 PHE CZ C 129.446 0.200 1 956 248 88 PHE N N 119.762 0.057 1 957 249 89 GLU H H 8.136 0.015 1 958 249 89 GLU HA H 3.577 0.002 1 959 249 89 GLU HB2 H 2.025 0.020 2 960 249 89 GLU HB3 H 1.953 0.014 2 961 249 89 GLU HG2 H 2.567 0.005 2 962 249 89 GLU HG3 H 2.219 0.003 2 963 249 89 GLU CA C 59.726 0.045 1 964 249 89 GLU CB C 29.226 0.088 1 965 249 89 GLU CG C 37.070 0.046 1 966 249 89 GLU N N 116.654 0.044 1 967 250 90 MET H H 7.830 0.011 1 968 250 90 MET HA H 4.178 0.022 1 969 250 90 MET HB2 H 2.123 0.001 2 970 250 90 MET HB3 H 1.948 0.020 2 971 250 90 MET HG2 H 2.370 0.002 2 972 250 90 MET HG3 H 2.427 0.006 2 973 250 90 MET HE H 1.943 0.020 1 974 250 90 MET CA C 58.311 0.124 1 975 250 90 MET CB C 32.230 0.064 1 976 250 90 MET CG C 32.074 0.018 1 977 250 90 MET CE C 17.137 0.200 1 978 250 90 MET N N 119.620 0.036 1 979 251 91 VAL H H 8.546 0.017 1 980 251 91 VAL HA H 3.239 0.009 1 981 251 91 VAL HB H 1.974 0.008 1 982 251 91 VAL HG1 H 0.726 0.001 2 983 251 91 VAL HG2 H 0.576 0.015 2 984 251 91 VAL CA C 67.947 0.115 1 985 251 91 VAL CB C 31.204 0.191 1 986 251 91 VAL CG1 C 21.984 0.102 2 987 251 91 VAL CG2 C 23.593 0.040 2 988 251 91 VAL N N 120.234 0.040 1 989 252 92 LEU H H 8.281 0.015 1 990 252 92 LEU HA H 3.659 0.030 1 991 252 92 LEU HB2 H 1.403 0.015 2 992 252 92 LEU HB3 H 1.134 0.011 2 993 252 92 LEU HG H 1.265 0.008 1 994 252 92 LEU HD1 H 0.650 0.004 2 995 252 92 LEU HD2 H 0.653 0.020 2 996 252 92 LEU CA C 58.672 0.084 1 997 252 92 LEU CB C 41.326 0.064 1 998 252 92 LEU CG C 26.835 0.126 1 999 252 92 LEU CD1 C 24.666 0.036 2 1000 252 92 LEU CD2 C 24.910 0.037 2 1001 252 92 LEU N N 120.674 0.022 1 1002 253 93 ASP H H 7.472 0.020 1 1003 253 93 ASP HA H 4.234 0.030 1 1004 253 93 ASP HB2 H 2.701 0.037 1 1005 253 93 ASP HB3 H 2.701 0.037 1 1006 253 93 ASP CA C 57.587 0.066 1 1007 253 93 ASP CB C 41.536 0.077 1 1008 253 93 ASP N N 119.043 0.061 1 1009 254 94 LEU H H 8.204 0.019 1 1010 254 94 LEU HA H 3.830 0.012 1 1011 254 94 LEU HB2 H 1.780 0.020 2 1012 254 94 LEU HB3 H 1.131 0.005 2 1013 254 94 LEU HG H 1.805 0.014 1 1014 254 94 LEU HD1 H 0.593 0.008 2 1015 254 94 LEU HD2 H 0.819 0.010 2 1016 254 94 LEU CA C 58.138 0.054 1 1017 254 94 LEU CB C 42.379 0.073 1 1018 254 94 LEU CG C 27.585 0.064 1 1019 254 94 LEU CD1 C 26.136 0.037 2 1020 254 94 LEU CD2 C 23.154 0.210 2 1021 254 94 LEU N N 119.997 0.062 1 1022 255 95 MET H H 8.835 0.020 1 1023 255 95 MET HA H 4.123 0.021 1 1024 255 95 MET HB2 H 2.180 0.020 2 1025 255 95 MET HB3 H 1.794 0.020 2 1026 255 95 MET HG2 H 2.412 0.030 1 1027 255 95 MET HG3 H 2.412 0.030 1 1028 255 95 MET HE H 1.801 0.008 1 1029 255 95 MET CA C 57.671 0.036 1 1030 255 95 MET CB C 30.976 0.083 1 1031 255 95 MET CG C 33.398 0.072 1 1032 255 95 MET CE C 16.928 0.005 1 1033 255 95 MET N N 118.782 0.050 1 1034 256 96 GLN H H 8.035 0.024 1 1035 256 96 GLN HA H 3.888 0.020 1 1036 256 96 GLN HB2 H 2.220 0.005 2 1037 256 96 GLN HB3 H 2.156 0.020 2 1038 256 96 GLN HG2 H 2.386 0.021 2 1039 256 96 GLN HG3 H 2.229 0.002 2 1040 256 96 GLN HE21 H 7.224 0.008 1 1041 256 96 GLN HE22 H 6.747 0.020 1 1042 256 96 GLN CA C 59.151 0.078 1 1043 256 96 GLN CB C 28.198 0.098 1 1044 256 96 GLN CG C 34.582 0.134 1 1045 256 96 GLN N N 120.346 0.026 1 1046 256 96 GLN NE2 N 112.304 0.033 1 1047 257 97 GLN H H 7.883 0.022 1 1048 257 97 GLN HA H 3.996 0.005 1 1049 257 97 GLN HB2 H 2.267 0.020 2 1050 257 97 GLN HB3 H 2.058 0.020 2 1051 257 97 GLN HG2 H 2.541 0.012 2 1052 257 97 GLN HG3 H 2.211 0.010 2 1053 257 97 GLN HE21 H 7.191 0.011 1 1054 257 97 GLN HE22 H 6.462 0.004 1 1055 257 97 GLN CA C 59.284 0.058 1 1056 257 97 GLN CB C 28.576 0.208 1 1057 257 97 GLN CG C 34.372 0.096 1 1058 257 97 GLN N N 119.497 0.079 1 1059 257 97 GLN NE2 N 111.735 0.015 1 1060 258 98 LEU H H 8.346 0.013 1 1061 258 98 LEU HA H 3.955 0.025 1 1062 258 98 LEU HB2 H 1.890 0.020 2 1063 258 98 LEU HB3 H 1.671 0.020 2 1064 258 98 LEU HG H 1.675 0.020 1 1065 258 98 LEU HD1 H 0.874 0.004 2 1066 258 98 LEU HD2 H 0.792 0.020 2 1067 258 98 LEU CA C 57.892 0.200 1 1068 258 98 LEU CB C 41.624 0.054 1 1069 258 98 LEU CG C 26.767 0.200 1 1070 258 98 LEU CD1 C 25.219 0.042 2 1071 258 98 LEU CD2 C 25.990 0.158 2 1072 258 98 LEU N N 119.239 0.058 1 1073 259 99 GLN H H 8.109 0.012 1 1074 259 99 GLN HA H 3.903 0.011 1 1075 259 99 GLN HB2 H 2.120 0.020 2 1076 259 99 GLN HB3 H 2.062 0.005 2 1077 259 99 GLN HG2 H 2.311 0.007 1 1078 259 99 GLN HG3 H 2.311 0.007 1 1079 259 99 GLN HE21 H 7.271 0.020 1 1080 259 99 GLN HE22 H 6.771 0.001 1 1081 259 99 GLN CA C 59.030 0.207 1 1082 259 99 GLN CB C 28.583 0.166 1 1083 259 99 GLN CG C 34.254 0.006 1 1084 259 99 GLN N N 118.760 0.017 1 1085 259 99 GLN NE2 N 110.215 0.010 1 1086 260 100 ASP H H 7.582 0.007 1 1087 260 100 ASP HA H 4.492 0.020 1 1088 260 100 ASP HB2 H 2.652 0.020 1 1089 260 100 ASP HB3 H 2.652 0.020 1 1090 260 100 ASP CA C 56.110 0.024 1 1091 260 100 ASP CB C 41.003 0.040 1 1092 260 100 ASP N N 118.245 0.032 1 1093 261 101 LEU H H 7.492 0.006 1 1094 261 101 LEU HA H 4.221 0.019 1 1095 261 101 LEU HB2 H 1.985 0.020 2 1096 261 101 LEU HB3 H 1.572 0.018 2 1097 261 101 LEU HG H 1.802 0.005 1 1098 261 101 LEU HD1 H 0.771 0.020 2 1099 261 101 LEU HD2 H 0.843 0.009 2 1100 261 101 LEU CA C 55.326 0.100 1 1101 261 101 LEU CB C 43.250 0.091 1 1102 261 101 LEU CG C 26.770 0.004 1 1103 261 101 LEU CD1 C 25.954 0.063 2 1104 261 101 LEU CD2 C 22.872 0.019 2 1105 261 101 LEU N N 119.230 0.024 1 1106 262 102 GLY H H 7.422 0.001 1 1107 262 102 GLY HA2 H 3.578 0.020 2 1108 262 102 GLY HA3 H 4.038 0.020 2 1109 262 102 GLY CA C 44.736 0.030 1 1110 262 102 GLY N N 106.493 0.060 1 1111 263 103 HIS H H 8.225 0.004 1 1112 263 103 HIS HA H 4.654 0.003 1 1113 263 103 HIS HB2 H 3.125 0.005 2 1114 263 103 HIS HB3 H 2.917 0.015 2 1115 263 103 HIS HD2 H 7.131 0.012 1 1116 263 103 HIS HE1 H 8.161 0.022 1 1117 263 103 HIS CB C 29.124 0.038 1 1118 263 103 HIS CD2 C 120.233 0.104 1 1119 263 103 HIS CE1 C 137.562 0.200 1 1120 263 103 HIS N N 116.465 0.028 1 1121 264 104 PRO HA H 5.207 0.015 1 1122 264 104 PRO HB2 H 1.994 0.004 2 1123 264 104 PRO HB3 H 1.295 0.009 2 1124 264 104 PRO HG2 H 1.685 0.003 2 1125 264 104 PRO HG3 H 1.580 0.006 2 1126 264 104 PRO HD2 H 3.349 0.008 2 1127 264 104 PRO HD3 H 3.710 0.011 2 1128 264 104 PRO CA C 61.675 0.029 1 1129 264 104 PRO CB C 29.596 0.066 1 1130 264 104 PRO CG C 27.194 0.037 1 1131 264 104 PRO CD C 50.344 0.086 1 1132 265 105 PRO HA H 3.956 0.008 1 1133 265 105 PRO HB2 H 0.470 0.004 2 1134 265 105 PRO HB3 H 1.353 0.004 2 1135 265 105 PRO HG2 H -0.272 0.001 2 1136 265 105 PRO HG3 H -0.351 0.019 2 1137 265 105 PRO HD2 H 3.195 0.012 2 1138 265 105 PRO HD3 H 2.338 0.003 2 1139 265 105 PRO CA C 62.627 0.029 1 1140 265 105 PRO CB C 31.475 0.070 1 1141 265 105 PRO CG C 26.390 0.057 1 1142 265 105 PRO CD C 49.980 0.046 1 1143 266 106 LYS H H 8.601 0.006 1 1144 266 106 LYS HA H 3.763 0.019 1 1145 266 106 LYS HB2 H 1.732 0.006 2 1146 266 106 LYS HB3 H 1.651 0.020 2 1147 266 106 LYS HG2 H 1.310 0.006 1 1148 266 106 LYS HG3 H 1.310 0.006 1 1149 266 106 LYS HD2 H 1.562 0.020 1 1150 266 106 LYS HD3 H 1.562 0.020 1 1151 266 106 LYS HE2 H 2.863 0.008 1 1152 266 106 LYS HE3 H 2.863 0.008 1 1153 266 106 LYS CA C 59.334 0.063 1 1154 266 106 LYS CB C 32.216 0.086 1 1155 266 106 LYS CG C 24.677 0.087 1 1156 266 106 LYS CD C 29.288 0.076 1 1157 266 106 LYS CE C 42.177 0.200 1 1158 266 106 LYS N N 126.685 0.056 1 1159 267 107 GLU H H 9.011 0.013 1 1160 267 107 GLU HA H 3.891 0.020 1 1161 267 107 GLU HB2 H 1.914 0.006 2 1162 267 107 GLU HB3 H 1.799 0.015 2 1163 267 107 GLU HG2 H 2.285 0.023 1 1164 267 107 GLU HG3 H 2.285 0.023 1 1165 267 107 GLU CA C 58.853 0.211 1 1166 267 107 GLU CB C 29.444 0.037 1 1167 267 107 GLU CG C 37.020 0.023 1 1168 267 107 GLU N N 116.313 0.029 1 1169 268 108 LEU H H 6.885 0.016 1 1170 268 108 LEU HA H 3.991 0.003 1 1171 268 108 LEU HB2 H 0.908 0.019 2 1172 268 108 LEU HB3 H 0.762 0.028 2 1173 268 108 LEU HG H 0.391 0.018 1 1174 268 108 LEU HD1 H -0.413 0.003 2 1175 268 108 LEU HD2 H 0.191 0.009 2 1176 268 108 LEU CA C 54.912 0.069 1 1177 268 108 LEU CB C 42.320 0.057 1 1178 268 108 LEU CG C 26.742 0.060 1 1179 268 108 LEU CD1 C 24.320 0.089 2 1180 268 108 LEU CD2 C 22.959 0.063 2 1181 268 108 LEU N N 115.764 0.069 1 1182 269 109 ALA H H 7.299 0.011 1 1183 269 109 ALA HA H 3.941 0.020 1 1184 269 109 ALA HB H 1.068 0.009 1 1185 269 109 ALA CA C 52.978 0.155 1 1186 269 109 ALA CB C 19.673 0.012 1 1187 269 109 ALA N N 119.804 0.068 1 1188 270 110 GLY H H 7.973 0.015 1 1189 270 110 GLY HA2 H 3.825 0.020 2 1190 270 110 GLY HA3 H 3.719 0.007 2 1191 270 110 GLY CA C 45.497 0.065 1 1192 270 110 GLY N N 106.300 0.036 1 1193 271 111 GLU H H 7.905 0.017 1 1194 271 111 GLU HA H 4.223 0.023 1 1195 271 111 GLU HB2 H 1.956 0.020 2 1196 271 111 GLU HB3 H 1.715 0.004 2 1197 271 111 GLU HG2 H 2.116 0.002 2 1198 271 111 GLU HG3 H 2.081 0.020 2 1199 271 111 GLU CA C 55.638 0.035 1 1200 271 111 GLU CB C 30.398 0.132 1 1201 271 111 GLU CG C 36.085 0.055 1 1202 271 111 GLU N N 119.059 0.064 1 1203 272 112 MET H H 8.036 0.005 1 1204 272 112 MET HA H 4.541 0.018 1 1205 272 112 MET HB2 H 1.827 0.020 1 1206 272 112 MET HB3 H 1.827 0.020 1 1207 272 112 MET HG2 H 2.480 0.002 2 1208 272 112 MET HG3 H 2.385 0.004 2 1209 272 112 MET HE H 1.848 0.007 1 1210 272 112 MET CA C 53.291 0.012 1 1211 272 112 MET CB C 32.485 0.143 1 1212 272 112 MET CG C 32.572 0.004 1 1213 272 112 MET CE C 17.639 0.015 1 1214 272 112 MET N N 121.781 0.056 1 1215 273 113 PRO HA H 4.578 0.016 1 1216 273 113 PRO HB2 H 2.247 0.020 2 1217 273 113 PRO HB3 H 1.720 0.020 2 1218 273 113 PRO HG2 H 1.892 0.020 1 1219 273 113 PRO HG3 H 1.892 0.020 1 1220 273 113 PRO HD2 H 3.760 0.006 2 1221 273 113 PRO HD3 H 3.413 0.014 2 1222 273 113 PRO CA C 61.570 0.080 1 1223 273 113 PRO CB C 30.921 0.002 1 1224 273 113 PRO CG C 27.728 0.200 1 1225 273 113 PRO CD C 51.361 0.076 1 1226 274 114 PRO HA H 4.232 0.001 1 1227 274 114 PRO HB2 H 1.787 0.020 2 1228 274 114 PRO HB3 H 2.181 0.012 2 1229 274 114 PRO HG2 H 1.927 0.004 1 1230 274 114 PRO HG3 H 1.927 0.004 1 1231 274 114 PRO HD2 H 3.718 0.004 2 1232 274 114 PRO HD3 H 3.538 0.010 2 1233 274 114 PRO CA C 63.765 0.049 1 1234 274 114 PRO CB C 31.938 0.024 1 1235 274 114 PRO CG C 27.528 0.033 1 1236 274 114 PRO CD C 50.530 0.020 1 1237 275 115 GLY H H 8.419 0.007 1 1238 275 115 GLY HA2 H 3.662 0.020 2 1239 275 115 GLY HA3 H 3.863 0.020 2 1240 275 115 GLY CA C 45.569 0.081 1 1241 275 115 GLY N N 108.076 0.051 1 1242 276 116 LEU H H 7.543 0.010 1 1243 276 116 LEU HA H 4.211 0.011 1 1244 276 116 LEU HB2 H 1.398 0.019 1 1245 276 116 LEU HB3 H 1.398 0.019 1 1246 276 116 LEU HG H 1.407 0.002 1 1247 276 116 LEU HD1 H 0.748 0.007 2 1248 276 116 LEU HD2 H 0.734 0.018 2 1249 276 116 LEU CA C 54.805 0.107 1 1250 276 116 LEU CB C 42.376 0.034 1 1251 276 116 LEU CG C 27.230 0.020 1 1252 276 116 LEU CD1 C 25.514 0.139 2 1253 276 116 LEU CD2 C 24.220 0.058 2 1254 276 116 LEU N N 119.711 0.047 1 1255 277 117 ASN H H 7.960 0.014 1 1256 277 117 ASN HA H 4.544 0.020 1 1257 277 117 ASN HB2 H 2.640 0.014 2 1258 277 117 ASN HB3 H 2.518 0.003 2 1259 277 117 ASN HD21 H 6.732 0.008 1 1260 277 117 ASN HD22 H 7.409 0.002 1 1261 277 117 ASN CA C 52.979 0.184 1 1262 277 117 ASN CB C 39.104 0.049 1 1263 277 117 ASN N N 118.565 0.047 1 1264 277 117 ASN ND2 N 112.351 0.031 1 1265 278 118 PHE H H 7.942 0.006 1 1266 278 118 PHE HA H 4.431 0.001 1 1267 278 118 PHE HB2 H 2.970 0.003 2 1268 278 118 PHE HB3 H 2.763 0.020 2 1269 278 118 PHE HD1 H 7.044 0.011 3 1270 278 118 PHE HD2 H 7.044 0.011 3 1271 278 118 PHE HE1 H 7.111 0.020 3 1272 278 118 PHE HE2 H 7.111 0.020 3 1273 278 118 PHE HZ H 7.023 0.020 1 1274 278 118 PHE CA C 57.628 0.007 1 1275 278 118 PHE CB C 39.842 0.026 1 1276 278 118 PHE CD1 C 131.995 0.175 3 1277 278 118 PHE CD2 C 131.995 0.175 3 1278 278 118 PHE CE1 C 131.310 0.200 3 1279 278 118 PHE CE2 C 131.310 0.200 3 1280 278 118 PHE CZ C 129.316 0.200 1 1281 278 118 PHE N N 120.100 0.030 1 1282 279 119 ASP H H 8.098 0.007 1 1283 279 119 ASP HA H 4.527 0.020 1 1284 279 119 ASP HB2 H 2.660 0.033 2 1285 279 119 ASP HB3 H 2.457 0.020 2 1286 279 119 ASP CA C 53.710 0.095 1 1287 279 119 ASP CB C 41.112 0.076 1 1288 279 119 ASP N N 121.406 0.068 1 1289 280 120 LEU H H 8.234 0.024 1 1290 280 120 LEU HA H 3.976 0.018 1 1291 280 120 LEU HB2 H 1.589 0.006 2 1292 280 120 LEU HB3 H 1.464 0.009 2 1293 280 120 LEU HG H 1.581 0.020 1 1294 280 120 LEU HD1 H 0.800 0.020 2 1295 280 120 LEU HD2 H 0.727 0.020 2 1296 280 120 LEU CA C 56.735 0.029 1 1297 280 120 LEU CB C 41.914 0.186 1 1298 280 120 LEU CG C 27.167 0.042 1 1299 280 120 LEU CD1 C 25.307 0.200 2 1300 280 120 LEU CD2 C 23.722 0.200 2 1301 280 120 LEU N N 123.350 0.035 1 1302 281 121 ASP H H 8.209 0.008 1 1303 281 121 ASP HA H 4.374 0.034 1 1304 281 121 ASP HB2 H 2.595 0.004 1 1305 281 121 ASP HB3 H 2.595 0.004 1 1306 281 121 ASP CA C 56.014 0.069 1 1307 281 121 ASP CB C 40.754 0.046 1 1308 281 121 ASP N N 119.086 0.152 1 1309 282 122 ALA H H 7.755 0.004 1 1310 282 122 ALA HA H 4.111 0.031 1 1311 282 122 ALA HB H 1.308 0.017 1 1312 282 122 ALA CA C 53.298 0.113 1 1313 282 122 ALA CB C 19.011 0.026 1 1314 282 122 ALA N N 122.073 0.061 1 1315 283 123 LEU H H 7.617 0.013 1 1316 283 123 LEU HA H 4.128 0.005 1 1317 283 123 LEU HB2 H 1.593 0.020 2 1318 283 123 LEU HB3 H 1.475 0.020 2 1319 283 123 LEU HG H 1.591 0.004 1 1320 283 123 LEU HD1 H 0.787 0.006 2 1321 283 123 LEU HD2 H 0.737 0.020 2 1322 283 123 LEU CA C 55.509 0.065 1 1323 283 123 LEU CB C 42.341 0.152 1 1324 283 123 LEU CG C 27.067 0.138 1 1325 283 123 LEU CD1 C 25.573 0.040 2 1326 283 123 LEU CD2 C 23.761 0.033 2 1327 283 123 LEU N N 117.719 0.056 1 1328 284 124 ASN H H 8.030 0.011 1 1329 284 124 ASN HA H 4.569 0.004 1 1330 284 124 ASN HB2 H 2.826 0.033 2 1331 284 124 ASN HB3 H 2.628 0.012 2 1332 284 124 ASN HD21 H 6.744 0.001 1 1333 284 124 ASN HD22 H 7.516 0.020 1 1334 284 124 ASN CA C 53.538 0.066 1 1335 284 124 ASN CB C 38.480 0.064 1 1336 284 124 ASN N N 117.504 0.007 1 1337 284 124 ASN ND2 N 112.376 0.034 1 1338 285 125 LEU H H 8.119 0.006 1 1339 285 125 LEU HA H 4.277 0.004 1 1340 285 125 LEU HB2 H 1.583 0.020 2 1341 285 125 LEU HB3 H 1.507 0.020 2 1342 285 125 LEU HG H 1.522 0.020 1 1343 285 125 LEU HD1 H 0.788 0.020 2 1344 285 125 LEU HD2 H 0.760 0.020 2 1345 285 125 LEU CA C 55.358 0.031 1 1346 285 125 LEU CB C 42.450 0.043 1 1347 285 125 LEU CG C 26.910 0.030 1 1348 285 125 LEU CD1 C 25.528 0.200 2 1349 285 125 LEU CD2 C 23.383 0.200 2 1350 285 125 LEU N N 121.046 0.077 1 1351 286 126 SER H H 8.113 0.003 1 1352 286 126 SER HA H 4.378 0.019 1 1353 286 126 SER HB2 H 3.796 0.020 2 1354 286 126 SER HB3 H 3.755 0.001 2 1355 286 126 SER CA C 58.441 0.034 1 1356 286 126 SER CB C 64.095 0.030 1 1357 286 126 SER N N 114.650 0.048 1 1358 287 127 GLY H H 7.937 0.013 1 1359 287 127 GLY HA2 H 4.055 0.003 2 1360 287 127 GLY HA3 H 3.917 0.008 2 1361 287 127 GLY CA C 44.618 0.026 1 1362 287 127 GLY N N 110.136 0.089 1 1363 288 128 PRO HA H 4.594 0.024 1 1364 288 128 PRO HB2 H 1.835 0.020 2 1365 288 128 PRO HB3 H 2.210 0.012 2 1366 288 128 PRO HG2 H 1.913 0.022 1 1367 288 128 PRO HG3 H 1.913 0.022 1 1368 288 128 PRO HD2 H 3.526 0.003 2 1369 288 128 PRO HD3 H 3.443 0.005 2 1370 288 128 PRO CA C 61.556 0.021 1 1371 288 128 PRO CB C 30.883 0.124 1 1372 288 128 PRO CG C 27.407 0.200 1 1373 288 128 PRO CD C 49.653 0.051 1 1374 289 129 PRO HA H 4.311 0.012 1 1375 289 129 PRO HB2 H 2.163 0.020 2 1376 289 129 PRO HB3 H 1.814 0.020 2 1377 289 129 PRO HG2 H 1.962 0.006 1 1378 289 129 PRO HG3 H 1.962 0.006 1 1379 289 129 PRO HD2 H 3.537 0.020 1 1380 289 129 PRO HD3 H 3.537 0.020 1 1381 289 129 PRO CA C 63.650 0.200 1 1382 289 129 PRO CB C 31.931 0.039 1 1383 289 129 PRO CG C 27.638 0.064 1 1384 289 129 PRO CD C 50.553 0.200 1 1385 290 130 GLY H H 8.481 0.018 1 1386 290 130 GLY HA2 H 3.880 0.002 2 1387 290 130 GLY HA3 H 3.815 0.020 2 1388 290 130 GLY CA C 45.397 0.031 1 1389 290 130 GLY N N 109.623 0.030 1 1390 291 131 ALA H H 8.012 0.017 1 1391 291 131 ALA HA H 4.258 0.020 1 1392 291 131 ALA HB H 1.291 0.011 1 1393 291 131 ALA CA C 52.727 0.051 1 1394 291 131 ALA CB C 19.403 0.012 1 1395 291 131 ALA N N 123.480 0.011 1 1396 292 132 SER H H 8.283 0.005 1 1397 292 132 SER HA H 4.366 0.007 1 1398 292 132 SER HB2 H 3.800 0.020 2 1399 292 132 SER HB3 H 3.772 0.020 2 1400 292 132 SER CA C 58.625 0.110 1 1401 292 132 SER CB C 63.986 0.071 1 1402 292 132 SER N N 114.385 0.024 1 1403 293 133 GLY H H 8.277 0.005 1 1404 293 133 GLY HA2 H 3.895 0.020 2 1405 293 133 GLY HA3 H 3.830 0.020 2 1406 293 133 GLY CA C 45.644 0.007 1 1407 293 133 GLY N N 110.371 0.074 1 1408 294 134 GLU H H 8.257 0.004 1 1409 294 134 GLU HA H 4.159 0.019 1 1410 294 134 GLU HB2 H 1.830 0.002 2 1411 294 134 GLU HB3 H 1.949 0.007 2 1412 294 134 GLU HG2 H 2.147 0.006 2 1413 294 134 GLU HG3 H 2.128 0.002 2 1414 294 134 GLU CA C 56.969 0.003 1 1415 294 134 GLU CB C 30.236 0.211 1 1416 294 134 GLU CG C 36.352 0.058 1 1417 294 134 GLU N N 120.267 0.041 1 1418 295 135 GLN H H 8.252 0.014 1 1419 295 135 GLN HA H 4.269 0.002 1 1420 295 135 GLN HB2 H 1.890 0.020 2 1421 295 135 GLN HB3 H 1.972 0.014 2 1422 295 135 GLN HG2 H 2.250 0.001 1 1423 295 135 GLN HG3 H 2.250 0.001 1 1424 295 135 GLN HE21 H 7.441 0.020 1 1425 295 135 GLN HE22 H 6.757 0.020 1 1426 295 135 GLN CA C 56.013 0.026 1 1427 295 135 GLN CB C 29.953 0.106 1 1428 295 135 GLN CG C 34.093 0.020 1 1429 295 135 GLN N N 119.638 0.018 1 1430 295 135 GLN NE2 N 112.115 0.054 1 1431 296 136 CYS H H 8.268 0.023 1 1432 296 136 CYS HA H 4.299 0.005 1 1433 296 136 CYS HB2 H 2.776 0.021 2 1434 296 136 CYS HB3 H 2.696 0.007 2 1435 296 136 CYS CA C 56.710 0.029 1 1436 296 136 CYS CB C 34.604 0.047 1 1437 296 136 CYS N N 120.516 0.107 1 1438 297 137 LEU H H 8.075 0.017 1 1439 297 137 LEU HA H 4.319 0.014 1 1440 297 137 LEU HB2 H 1.518 0.016 2 1441 297 137 LEU HB3 H 1.467 0.020 2 1442 297 137 LEU HG H 1.472 0.020 1 1443 297 137 LEU HD1 H 0.766 0.004 2 1444 297 137 LEU HD2 H 0.725 0.020 2 1445 297 137 LEU CA C 55.098 0.108 1 1446 297 137 LEU CB C 42.887 0.216 1 1447 297 137 LEU CG C 27.137 0.111 1 1448 297 137 LEU CD1 C 25.328 0.005 2 1449 297 137 LEU CD2 C 23.956 0.191 2 1450 297 137 LEU N N 122.209 0.106 1 1451 298 138 ILE H H 7.847 0.006 1 1452 298 138 ILE HA H 4.083 0.007 1 1453 298 138 ILE HB H 1.765 0.007 1 1454 298 138 ILE HG12 H 1.306 0.037 2 1455 298 138 ILE HG13 H 0.983 0.009 2 1456 298 138 ILE HG2 H 0.764 0.003 1 1457 298 138 ILE HD1 H 0.705 0.005 1 1458 298 138 ILE CA C 61.151 0.036 1 1459 298 138 ILE CB C 38.684 0.050 1 1460 298 138 ILE CG1 C 27.364 0.068 1 1461 298 138 ILE CG2 C 17.879 0.077 1 1462 298 138 ILE CD1 C 13.341 0.041 1 1463 298 138 ILE N N 119.848 0.051 1 1464 299 139 MET H H 7.701 0.004 1 1465 299 139 MET HA H 4.169 0.005 1 1466 299 139 MET HB2 H 1.958 0.008 2 1467 299 139 MET HB3 H 1.816 0.005 2 1468 299 139 MET HG2 H 2.357 0.020 2 1469 299 139 MET HG3 H 2.327 0.017 2 1470 299 139 MET HE H 1.928 0.020 1 1471 299 139 MET CA C 57.016 0.033 1 1472 299 139 MET CB C 34.346 0.137 1 1473 299 139 MET CG C 32.420 0.001 1 1474 299 139 MET CE C 17.187 0.200 1 1475 299 139 MET N N 128.190 0.073 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 1 301 1 FAR H111 H 1.858 0.020 1 2 301 1 FAR H51 H 1.812 0.020 1 3 301 1 FAR H61 H 1.887 0.020 1 4 301 1 FAR H91 H 1.764 0.020 1 5 301 1 FAR C1 C 32.187 0.200 1 6 301 1 FAR H11 H 2.992 0.006 2 7 301 1 FAR H12A H 3.118 0.006 2 8 301 1 FAR C2 C 122.723 0.200 1 9 301 1 FAR H2 H 5.005 0.006 1 10 301 1 FAR H41 H 1.483 0.001 1 11 301 1 FAR H42 H 1.483 0.001 1 12 301 1 FAR H43 H 1.483 0.001 1 13 301 1 FAR C4 C 18.700 0.200 1 14 301 1 FAR C5 C 42.331 0.200 1 15 301 1 FAR H52 H 1.812 0.020 1 16 301 1 FAR C6 C 29.040 0.200 1 17 301 1 FAR H62 H 1.887 0.020 1 18 301 1 FAR C7 C 127.093 0.200 1 19 301 1 FAR H7 H 4.883 0.020 1 20 301 1 FAR H101 H 1.379 0.020 1 21 301 1 FAR H102 H 1.379 0.020 1 22 301 1 FAR H103 H 1.379 0.020 1 23 301 1 FAR C10 C 18.700 0.020 1 24 301 1 FAR C9 C 42.350 0.200 1 25 301 1 FAR H92 H 1.764 0.020 1 26 301 1 FAR C11 C 29.298 0.200 1 27 301 1 FAR H112 H 1.858 0.020 1 28 301 1 FAR C12 C 127.093 0.200 1 29 301 1 FAR H12 H 4.879 0.006 1 30 301 1 FAR H151 H 1.457 0.020 1 31 301 1 FAR H152 H 1.457 0.020 1 32 301 1 FAR H153 H 1.457 0.020 1 33 301 1 FAR C15 C 28.433 0.200 1 34 301 1 FAR H141 H 1.376 0.020 1 35 301 1 FAR H142 H 1.376 0.020 1 36 301 1 FAR H143 H 1.376 0.020 1 37 301 1 FAR C14 C 20.405 0.200 1 stop_ save_