data_16675 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The NMR structure of protein-glutaminase from Chryseobacterium proteolyticum ; _BMRB_accession_number 16675 _BMRB_flat_file_name bmr16675.str _Entry_type original _Submission_date 2010-01-14 _Accession_date 2010-01-14 _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 Kumeta Hiroyuki . . 2 Miwa Noriko . . 3 Ogura Kenji . . 4 Kai Yuko . . 5 Mizukoshi Toshimi . . 6 Shimba Nobuhisa . . 7 Suzuki Ei-ichiro . . 8 Inagaki Fuyuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1049 "13C chemical shifts" 797 "15N chemical shifts" 205 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-05 update BMRB 'edit assembly name' 2010-05-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The NMR structure of protein-glutaminase from Chryseobacterium proteolyticum.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20195702 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kumeta Hiroyuki . . 2 Miwa Noriko . . 3 Ogura Kenji . . 4 Kai Yuko . . 5 Mizukoshi Toshimi . . 6 Shimba Nobuhisa . . 7 Suzuki Ei-ichiro . . 8 Inagaki Fuyuhiko . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 46 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 251 _Page_last 255 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name protein-glutaminase _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label protein-glutaminase $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 protein-glutaminase _Molecular_mass 19875.396 _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 185 _Mol_residue_sequence ; LASVIPDVATLNSLFNQIKN QSCGTSTASSPCITFRYPVD GCYARAHKMRQILMNNGYDC EKQFVYGNLKASTGTCCVAW SYHVAILVSYKNASGVTEKR IIDPSLFSSGPVTDTAWRNA CVNTSCGSASVSSYANTAGN VYYRSPSNSYLYDNNLINTN CVLTKFSLLSGCSPSPAPDV SSCGF ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 136 LEU 2 137 ALA 3 138 SER 4 139 VAL 5 140 ILE 6 141 PRO 7 142 ASP 8 143 VAL 9 144 ALA 10 145 THR 11 146 LEU 12 147 ASN 13 148 SER 14 149 LEU 15 150 PHE 16 151 ASN 17 152 GLN 18 153 ILE 19 154 LYS 20 155 ASN 21 156 GLN 22 157 SER 23 158 CYS 24 159 GLY 25 160 THR 26 161 SER 27 162 THR 28 163 ALA 29 164 SER 30 165 SER 31 166 PRO 32 167 CYS 33 168 ILE 34 169 THR 35 170 PHE 36 171 ARG 37 172 TYR 38 173 PRO 39 174 VAL 40 175 ASP 41 176 GLY 42 177 CYS 43 178 TYR 44 179 ALA 45 180 ARG 46 181 ALA 47 182 HIS 48 183 LYS 49 184 MET 50 185 ARG 51 186 GLN 52 187 ILE 53 188 LEU 54 189 MET 55 190 ASN 56 191 ASN 57 192 GLY 58 193 TYR 59 194 ASP 60 195 CYS 61 196 GLU 62 197 LYS 63 198 GLN 64 199 PHE 65 200 VAL 66 201 TYR 67 202 GLY 68 203 ASN 69 204 LEU 70 205 LYS 71 206 ALA 72 207 SER 73 208 THR 74 209 GLY 75 210 THR 76 211 CYS 77 212 CYS 78 213 VAL 79 214 ALA 80 215 TRP 81 216 SER 82 217 TYR 83 218 HIS 84 219 VAL 85 220 ALA 86 221 ILE 87 222 LEU 88 223 VAL 89 224 SER 90 225 TYR 91 226 LYS 92 227 ASN 93 228 ALA 94 229 SER 95 230 GLY 96 231 VAL 97 232 THR 98 233 GLU 99 234 LYS 100 235 ARG 101 236 ILE 102 237 ILE 103 238 ASP 104 239 PRO 105 240 SER 106 241 LEU 107 242 PHE 108 243 SER 109 244 SER 110 245 GLY 111 246 PRO 112 247 VAL 113 248 THR 114 249 ASP 115 250 THR 116 251 ALA 117 252 TRP 118 253 ARG 119 254 ASN 120 255 ALA 121 256 CYS 122 257 VAL 123 258 ASN 124 259 THR 125 260 SER 126 261 CYS 127 262 GLY 128 263 SER 129 264 ALA 130 265 SER 131 266 VAL 132 267 SER 133 268 SER 134 269 TYR 135 270 ALA 136 271 ASN 137 272 THR 138 273 ALA 139 274 GLY 140 275 ASN 141 276 VAL 142 277 TYR 143 278 TYR 144 279 ARG 145 280 SER 146 281 PRO 147 282 SER 148 283 ASN 149 284 SER 150 285 TYR 151 286 LEU 152 287 TYR 153 288 ASP 154 289 ASN 155 290 ASN 156 291 LEU 157 292 ILE 158 293 ASN 159 294 THR 160 295 ASN 161 296 CYS 162 297 VAL 163 298 LEU 164 299 THR 165 300 LYS 166 301 PHE 167 302 SER 168 303 LEU 169 304 LEU 170 305 SER 171 306 GLY 172 307 CYS 173 308 SER 174 309 PRO 175 310 SER 176 311 PRO 177 312 ALA 178 313 PRO 179 314 ASP 180 315 VAL 181 316 SER 182 317 SER 183 318 CYS 184 319 GLY 185 320 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KSV "The Nmr Structure Of Protein-Glutaminase From Chryseobacteri Proteolyticum" 100.00 185 100.00 100.00 9.35e-131 PDB 2ZK9 "Crystal Structure Of Protein-Glutaminase" 100.00 185 99.46 100.00 3.05e-130 PDB 3A54 "Crystal Structure Of The A47q1 Mutant Of Pro-Protein-Glutaminase" 100.00 305 100.00 100.00 1.59e-131 PDB 3A55 "Crystal Structure Of The A47q2 Mutant Of Pro- Protein-Glutaminase" 100.00 305 100.00 100.00 1.59e-131 PDB 3A56 "Crystal Structure Of Pro- Protein-Glutaminase" 100.00 305 100.00 100.00 2.06e-131 DBJ BAB21508 "protein-glutaminase [Chryseobacterium proteolyticum]" 100.00 320 100.00 100.00 2.62e-131 DBJ BAF76799 "protein-glutaminase precursor [synthetic construct]" 100.00 320 100.00 100.00 2.62e-131 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $entity 'Chryseobacterium proteolyticum' 118127 Bacteria . Chryseobacterium proteolyticum 9670 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' . Corynebacterium glutamicum . pPK4 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CN-label _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.15 mM '[U-13C; U-15N]' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 5.0 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.111 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $CN-label save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $CN-label save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $CN-label save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $CN-label save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $CN-label save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $CN-label save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $CN-label save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $CN-label save_ save_3D_HN(CA)HA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)HA' _Sample_label $CN-label save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $CN-label save_ save_3D_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $CN-label save_ save_3D_CCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $CN-label save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $CN-label save_ save_2D_HbCbCgCdHd_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HbCbCgCdHd' _Sample_label $CN-label save_ save_2D_HbCbCgCdCeHe_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HbCbCgCdCeHe' _Sample_label $CN-label 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' 20 . mM pH 6.0 . 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 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D HNCO' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $CN-label stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name protein-glutaminase _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 1 136 1 LEU HA H 3.831 0.000 1 2 136 1 LEU HB2 H 1.316 0.000 2 3 136 1 LEU HB3 H 1.718 0.000 2 4 136 1 LEU HD1 H 0.884 0.000 . 5 136 1 LEU HD2 H 0.918 0.000 . 6 136 1 LEU HG H 1.687 0.000 1 7 136 1 LEU C C 172.970 0.000 1 8 136 1 LEU CA C 54.077 0.000 1 9 136 1 LEU CB C 43.239 0.002 1 10 136 1 LEU CD1 C 23.120 0.000 2 11 136 1 LEU CD2 C 26.074 0.000 2 12 136 1 LEU CG C 26.358 0.000 1 13 137 2 ALA H H 8.335 0.004 1 14 137 2 ALA HA H 4.790 0.000 1 15 137 2 ALA HB H 1.622 0.000 . 16 137 2 ALA C C 176.961 0.000 1 17 137 2 ALA CA C 51.462 0.000 1 18 137 2 ALA CB C 20.295 0.000 1 19 137 2 ALA N N 125.175 0.008 1 20 138 3 SER H H 8.776 0.004 1 21 138 3 SER HA H 4.508 0.000 1 22 138 3 SER HB2 H 3.984 0.000 2 23 138 3 SER HB3 H 3.984 0.000 2 24 138 3 SER C C 173.554 0.000 1 25 138 3 SER CA C 59.675 0.000 1 26 138 3 SER CB C 63.870 0.000 1 27 138 3 SER N N 115.952 0.025 1 28 139 4 VAL H H 7.655 0.001 1 29 139 4 VAL HA H 4.201 0.000 1 30 139 4 VAL HB H 1.924 0.000 1 31 139 4 VAL HG1 H 0.740 0.000 . 32 139 4 VAL HG2 H 0.857 0.000 . 33 139 4 VAL C C 174.539 0.000 1 34 139 4 VAL CA C 61.162 0.000 1 35 139 4 VAL CB C 34.195 0.000 1 36 139 4 VAL CG1 C 21.674 0.000 2 37 139 4 VAL CG2 C 21.266 0.000 2 38 139 4 VAL N N 120.040 0.004 1 39 140 5 ILE H H 9.241 0.002 1 40 140 5 ILE HA H 4.066 0.000 1 41 140 5 ILE HB H 1.872 0.000 1 42 140 5 ILE HD1 H 0.701 0.000 . 43 140 5 ILE HG12 H 0.193 0.000 2 44 140 5 ILE HG13 H 1.319 0.000 2 45 140 5 ILE HG2 H 0.798 0.000 . 46 140 5 ILE CA C 59.368 0.000 1 47 140 5 ILE CB C 38.636 0.000 1 48 140 5 ILE CD1 C 15.088 0.000 1 49 140 5 ILE CG1 C 29.655 0.003 1 50 140 5 ILE CG2 C 18.630 0.000 1 51 140 5 ILE N N 132.438 0.000 1 52 141 6 PRO HA H 4.298 0.000 1 53 141 6 PRO HB2 H 2.091 0.000 2 54 141 6 PRO HB3 H 2.486 0.000 2 55 141 6 PRO HD2 H 3.607 0.000 2 56 141 6 PRO HD3 H 4.017 0.000 2 57 141 6 PRO HG2 H 2.093 0.000 2 58 141 6 PRO HG3 H 2.328 0.000 2 59 141 6 PRO C C 175.378 0.000 1 60 141 6 PRO CA C 65.666 0.000 1 61 141 6 PRO CB C 32.792 0.000 1 62 141 6 PRO CD C 52.974 0.002 1 63 141 6 PRO CG C 27.730 0.001 1 64 142 7 ASP H H 7.137 0.003 1 65 142 7 ASP HA H 5.254 0.000 1 66 142 7 ASP HB2 H 3.163 0.000 2 67 142 7 ASP HB3 H 3.258 0.000 2 68 142 7 ASP C C 175.906 0.000 1 69 142 7 ASP CA C 52.545 0.000 1 70 142 7 ASP CB C 42.201 0.006 1 71 142 7 ASP N N 110.770 0.002 1 72 143 8 VAL H H 8.743 0.001 1 73 143 8 VAL HA H 3.542 0.000 1 74 143 8 VAL HB H 2.073 0.000 1 75 143 8 VAL HG1 H 0.948 0.000 . 76 143 8 VAL HG2 H 1.052 0.000 . 77 143 8 VAL C C 176.821 0.000 1 78 143 8 VAL CA C 64.881 0.000 1 79 143 8 VAL CB C 32.043 0.000 1 80 143 8 VAL CG1 C 20.897 0.000 2 81 143 8 VAL CG2 C 22.906 0.000 2 82 143 8 VAL N N 119.477 0.014 1 83 144 9 ALA H H 8.262 0.003 1 84 144 9 ALA HA H 4.159 0.000 1 85 144 9 ALA HB H 1.456 0.000 . 86 144 9 ALA C C 181.531 0.000 1 87 144 9 ALA CA C 55.496 0.000 1 88 144 9 ALA CB C 17.632 0.000 1 89 144 9 ALA N N 124.462 0.012 1 90 145 10 THR H H 8.849 0.003 1 91 145 10 THR HA H 3.970 0.000 1 92 145 10 THR HB H 3.978 0.000 1 93 145 10 THR HG2 H 1.262 0.000 . 94 145 10 THR C C 176.009 0.000 1 95 145 10 THR CA C 67.063 0.000 1 96 145 10 THR CB C 67.325 0.000 1 97 145 10 THR CG2 C 20.979 0.000 1 98 145 10 THR N N 117.499 0.001 1 99 146 11 LEU H H 7.564 0.003 1 100 146 11 LEU HA H 3.793 0.000 1 101 146 11 LEU HB2 H 0.868 0.000 2 102 146 11 LEU HB3 H 2.060 0.000 2 103 146 11 LEU HD1 H -0.148 0.000 . 104 146 11 LEU HD2 H 0.587 0.000 . 105 146 11 LEU HG H 1.223 0.000 1 106 146 11 LEU C C 177.285 0.000 1 107 146 11 LEU CA C 59.085 0.000 1 108 146 11 LEU CB C 41.049 0.003 1 109 146 11 LEU CD1 C 24.715 0.000 2 110 146 11 LEU CD2 C 23.814 0.000 2 111 146 11 LEU CG C 26.374 0.000 1 112 146 11 LEU N N 124.150 0.020 1 113 147 12 ASN H H 8.624 0.003 1 114 147 12 ASN HA H 4.420 0.000 1 115 147 12 ASN HB2 H 2.857 0.000 2 116 147 12 ASN HB3 H 2.857 0.000 2 117 147 12 ASN HD21 H 6.651 0.002 2 118 147 12 ASN HD22 H 7.504 0.001 2 119 147 12 ASN C C 178.166 0.000 1 120 147 12 ASN CA C 55.846 0.000 1 121 147 12 ASN CB C 37.413 0.000 1 122 147 12 ASN CG C 175.312 0.013 1 123 147 12 ASN N N 117.074 0.012 1 124 147 12 ASN ND2 N 110.255 0.001 1 125 148 13 SER H H 8.160 0.003 1 126 148 13 SER HA H 4.444 0.000 1 127 148 13 SER HB2 H 4.172 0.000 2 128 148 13 SER HB3 H 4.227 0.000 2 129 148 13 SER C C 178.090 0.000 1 130 148 13 SER CA C 61.284 0.000 1 131 148 13 SER CB C 62.847 0.000 1 132 148 13 SER N N 116.944 0.000 1 133 149 14 LEU H H 8.582 0.004 1 134 149 14 LEU HA H 4.033 0.000 1 135 149 14 LEU HB2 H 1.158 0.000 2 136 149 14 LEU HB3 H 2.096 0.000 2 137 149 14 LEU HD1 H 0.673 0.000 . 138 149 14 LEU HD2 H 0.939 0.000 . 139 149 14 LEU HG H 1.989 0.000 1 140 149 14 LEU C C 178.782 0.000 1 141 149 14 LEU CA C 58.116 0.000 1 142 149 14 LEU CB C 41.243 0.001 1 143 149 14 LEU CD1 C 27.111 0.000 2 144 149 14 LEU CD2 C 22.708 0.000 2 145 149 14 LEU CG C 26.451 0.000 1 146 149 14 LEU N N 122.439 0.020 1 147 150 15 PHE H H 8.752 0.003 1 148 150 15 PHE HA H 3.793 0.000 1 149 150 15 PHE HB2 H 2.852 0.000 2 150 150 15 PHE HB3 H 3.481 0.000 2 151 150 15 PHE HD1 H 7.090 0.000 3 152 150 15 PHE HD2 H 7.090 0.000 3 153 150 15 PHE HE1 H 7.280 0.004 3 154 150 15 PHE HE2 H 7.280 0.004 3 155 150 15 PHE HZ H 7.084 0.000 1 156 150 15 PHE C C 176.572 0.000 1 157 150 15 PHE CA C 63.427 0.000 1 158 150 15 PHE CB C 39.072 0.024 1 159 150 15 PHE CD1 C 131.508 0.000 3 160 150 15 PHE CD2 C 131.508 0.000 3 161 150 15 PHE CE1 C 131.476 0.000 3 162 150 15 PHE CE2 C 131.476 0.000 3 163 150 15 PHE CZ C 129.626 0.000 1 164 150 15 PHE N N 119.325 0.002 1 165 151 16 ASN H H 8.244 0.004 1 166 151 16 ASN HA H 4.339 0.000 1 167 151 16 ASN HB2 H 2.931 0.000 2 168 151 16 ASN HB3 H 3.052 0.000 2 169 151 16 ASN HD21 H 7.074 0.002 2 170 151 16 ASN HD22 H 7.672 0.001 2 171 151 16 ASN C C 177.349 0.000 1 172 151 16 ASN CA C 56.613 0.000 1 173 151 16 ASN CB C 38.264 0.003 1 174 151 16 ASN CG C 176.293 0.009 1 175 151 16 ASN N N 117.423 0.000 1 176 151 16 ASN ND2 N 112.661 0.001 1 177 152 17 GLN H H 8.390 0.002 1 178 152 17 GLN HA H 4.048 0.000 1 179 152 17 GLN HB2 H 2.183 0.000 2 180 152 17 GLN HB3 H 2.254 0.000 2 181 152 17 GLN HE21 H 7.008 0.002 2 182 152 17 GLN HE22 H 7.046 0.004 2 183 152 17 GLN HG2 H 2.399 0.000 2 184 152 17 GLN HG3 H 2.736 0.000 2 185 152 17 GLN C C 179.540 0.000 1 186 152 17 GLN CA C 59.907 0.000 1 187 152 17 GLN CB C 29.542 0.006 1 188 152 17 GLN CD C 179.987 0.018 1 189 152 17 GLN CG C 35.208 0.003 1 190 152 17 GLN N N 119.177 0.003 1 191 152 17 GLN NE2 N 110.537 0.001 1 192 153 18 ILE H H 7.985 0.002 1 193 153 18 ILE HA H 3.640 0.000 1 194 153 18 ILE HB H 1.861 0.000 1 195 153 18 ILE HD1 H 0.845 0.000 . 196 153 18 ILE HG12 H 0.860 0.000 2 197 153 18 ILE HG13 H 1.960 0.000 2 198 153 18 ILE HG2 H 0.864 0.000 . 199 153 18 ILE C C 177.980 0.000 1 200 153 18 ILE CA C 65.899 0.000 1 201 153 18 ILE CB C 37.798 0.000 1 202 153 18 ILE CD1 C 14.509 0.000 1 203 153 18 ILE CG1 C 30.892 0.003 1 204 153 18 ILE CG2 C 18.987 0.000 1 205 153 18 ILE N N 119.371 0.018 1 206 154 19 LYS H H 8.498 0.001 1 207 154 19 LYS HA H 3.626 0.000 1 208 154 19 LYS HB2 H 1.481 0.000 2 209 154 19 LYS HB3 H 1.818 0.000 2 210 154 19 LYS HD2 H 1.734 0.000 2 211 154 19 LYS HD3 H 1.734 0.000 2 212 154 19 LYS HE2 H 3.122 0.000 2 213 154 19 LYS HE3 H 3.122 0.000 2 214 154 19 LYS HG2 H 1.265 0.000 2 215 154 19 LYS HG3 H 1.265 0.000 2 216 154 19 LYS C C 180.547 0.000 1 217 154 19 LYS CA C 59.899 0.000 1 218 154 19 LYS CB C 31.099 0.001 1 219 154 19 LYS CD C 29.171 0.000 1 220 154 19 LYS CE C 41.671 0.000 1 221 154 19 LYS CG C 24.922 0.000 1 222 154 19 LYS N N 120.221 0.024 1 223 155 20 ASN H H 8.462 0.002 1 224 155 20 ASN HA H 4.676 0.000 1 225 155 20 ASN HB2 H 2.870 0.000 2 226 155 20 ASN HB3 H 3.027 0.000 2 227 155 20 ASN HD21 H 6.839 0.001 2 228 155 20 ASN HD22 H 7.594 0.001 2 229 155 20 ASN C C 175.925 0.000 1 230 155 20 ASN CA C 54.047 0.000 1 231 155 20 ASN CB C 37.945 0.006 1 232 155 20 ASN CG C 175.840 0.010 1 233 155 20 ASN N N 118.888 0.007 1 234 155 20 ASN ND2 N 108.498 0.000 1 235 156 21 GLN H H 7.614 0.003 1 236 156 21 GLN HA H 4.496 0.000 1 237 156 21 GLN HB2 H 1.994 0.000 2 238 156 21 GLN HB3 H 2.922 0.000 2 239 156 21 GLN HE21 H 7.173 0.001 2 240 156 21 GLN HE22 H 8.004 0.002 2 241 156 21 GLN HG2 H 2.459 0.000 2 242 156 21 GLN HG3 H 2.709 0.000 2 243 156 21 GLN C C 175.516 0.000 1 244 156 21 GLN CA C 54.271 0.000 1 245 156 21 GLN CB C 26.989 0.003 1 246 156 21 GLN CD C 179.816 0.008 1 247 156 21 GLN CG C 32.447 0.003 1 248 156 21 GLN N N 115.289 0.007 1 249 156 21 GLN NE2 N 115.123 0.000 1 250 157 22 SER H H 7.855 0.003 1 251 157 22 SER HA H 4.927 0.000 1 252 157 22 SER HB2 H 4.147 0.000 2 253 157 22 SER HB3 H 4.386 0.000 2 254 157 22 SER HG H 6.725 0.000 1 255 157 22 SER C C 174.919 0.000 1 256 157 22 SER CA C 59.467 0.000 1 257 157 22 SER CB C 63.816 0.006 1 258 157 22 SER N N 116.333 0.010 1 259 158 23 CYS H H 9.036 0.002 1 260 158 23 CYS HA H 4.822 0.000 1 261 158 23 CYS HB2 H 2.619 0.000 2 262 158 23 CYS HB3 H 3.183 0.000 2 263 158 23 CYS C C 176.409 0.000 1 264 158 23 CYS CA C 55.619 0.000 1 265 158 23 CYS CB C 38.825 0.002 1 266 158 23 CYS N N 123.752 0.005 1 267 159 24 GLY H H 9.660 0.003 1 268 159 24 GLY HA2 H 3.795 0.000 . 269 159 24 GLY HA3 H 4.508 0.000 2 270 159 24 GLY C C 174.093 0.000 1 271 159 24 GLY CA C 45.165 0.000 1 272 159 24 GLY N N 112.066 0.000 1 273 160 25 THR H H 7.703 0.004 1 274 160 25 THR HA H 4.882 0.000 1 275 160 25 THR HB H 4.508 0.000 1 276 160 25 THR HG2 H 1.404 0.000 . 277 160 25 THR C C 176.136 0.000 1 278 160 25 THR CA C 60.902 0.000 1 279 160 25 THR CB C 71.611 0.000 1 280 160 25 THR CG2 C 22.070 0.000 1 281 160 25 THR N N 110.906 0.017 1 282 161 26 SER H H 9.250 0.003 1 283 161 26 SER HA H 4.476 0.000 1 284 161 26 SER HB2 H 4.012 0.000 2 285 161 26 SER HB3 H 4.108 0.000 2 286 161 26 SER C C 175.251 0.000 1 287 161 26 SER CA C 60.197 0.000 1 288 161 26 SER CB C 63.193 0.000 1 289 161 26 SER N N 117.961 0.006 1 290 162 27 THR H H 7.434 0.003 1 291 162 27 THR HA H 4.260 0.000 1 292 162 27 THR HB H 4.419 0.000 1 293 162 27 THR HG1 H 6.190 0.000 1 294 162 27 THR HG2 H 1.232 0.000 . 295 162 27 THR C C 175.262 0.000 1 296 162 27 THR CA C 61.396 0.000 1 297 162 27 THR CB C 69.553 0.000 1 298 162 27 THR CG2 C 21.950 0.000 1 299 162 27 THR N N 108.083 0.014 1 300 163 28 ALA H H 7.048 0.004 1 301 163 28 ALA HA H 4.203 0.000 1 302 163 28 ALA HB H 1.299 0.000 . 303 163 28 ALA C C 178.604 0.000 1 304 163 28 ALA CA C 54.060 0.000 1 305 163 28 ALA CB C 19.847 0.000 1 306 163 28 ALA N N 125.040 0.013 1 307 164 29 SER H H 9.330 0.000 1 308 164 29 SER HA H 4.576 0.000 1 309 164 29 SER HB2 H 3.861 0.000 2 310 164 29 SER HB3 H 3.971 0.000 2 311 164 29 SER C C 172.075 0.000 1 312 164 29 SER CA C 57.484 0.000 1 313 164 29 SER CB C 63.711 0.000 1 314 164 29 SER N N 119.709 0.018 1 315 165 30 SER H H 8.129 0.001 1 316 165 30 SER HA H 4.919 0.000 1 317 165 30 SER HB2 H 3.717 0.000 2 318 165 30 SER HB3 H 3.777 0.000 2 319 165 30 SER CA C 55.323 0.000 1 320 165 30 SER CB C 64.129 0.001 1 321 165 30 SER N N 112.900 0.021 1 322 166 31 PRO HA H 4.972 0.000 1 323 166 31 PRO HB2 H 2.027 0.000 2 324 166 31 PRO HB3 H 2.426 0.000 2 325 166 31 PRO HD2 H 3.411 0.000 2 326 166 31 PRO HD3 H 3.557 0.000 2 327 166 31 PRO HG2 H 1.915 0.000 2 328 166 31 PRO HG3 H 1.915 0.000 2 329 166 31 PRO C C 175.450 0.000 1 330 166 31 PRO CA C 62.630 0.000 1 331 166 31 PRO CB C 33.875 0.006 1 332 166 31 PRO CD C 50.197 0.000 1 333 166 31 PRO CG C 25.585 0.000 1 334 167 32 CYS H H 7.960 0.002 1 335 167 32 CYS HA H 4.813 0.000 1 336 167 32 CYS HB2 H 3.197 0.000 2 337 167 32 CYS HB3 H 3.275 0.000 2 338 167 32 CYS C C 173.418 0.000 1 339 167 32 CYS CA C 53.737 0.000 1 340 167 32 CYS CB C 42.466 0.001 1 341 167 32 CYS N N 119.924 0.020 1 342 168 33 ILE H H 9.133 0.002 1 343 168 33 ILE HA H 3.861 0.000 1 344 168 33 ILE HB H 1.185 0.000 1 345 168 33 ILE HD1 H 0.838 0.000 . 346 168 33 ILE HG12 H 0.479 0.000 2 347 168 33 ILE HG13 H 1.951 0.000 2 348 168 33 ILE HG2 H -0.080 0.000 . 349 168 33 ILE C C 177.892 0.000 1 350 168 33 ILE CA C 63.834 0.000 1 351 168 33 ILE CB C 37.304 0.000 1 352 168 33 ILE CD1 C 13.204 0.000 1 353 168 33 ILE CG1 C 27.727 0.000 1 354 168 33 ILE CG2 C 18.934 0.000 1 355 168 33 ILE N N 115.216 0.018 1 356 169 34 THR H H 6.598 0.004 1 357 169 34 THR HA H 4.039 0.000 1 358 169 34 THR HB H 4.921 0.000 1 359 169 34 THR HG1 H 6.350 0.000 1 360 169 34 THR HG2 H 1.517 0.000 . 361 169 34 THR C C 176.909 0.000 1 362 169 34 THR CA C 61.523 0.000 1 363 169 34 THR CB C 65.437 0.000 1 364 169 34 THR CG2 C 24.096 0.000 1 365 169 34 THR N N 122.728 0.018 1 366 170 35 PHE H H 8.447 0.003 1 367 170 35 PHE HA H 4.007 0.000 1 368 170 35 PHE HB2 H 2.854 0.000 2 369 170 35 PHE HB3 H 3.044 0.000 2 370 170 35 PHE HD1 H 7.340 0.000 3 371 170 35 PHE HD2 H 7.340 0.000 3 372 170 35 PHE HE1 H 7.791 0.000 3 373 170 35 PHE HE2 H 7.791 0.000 3 374 170 35 PHE C C 176.437 0.000 1 375 170 35 PHE CA C 61.454 0.000 1 376 170 35 PHE CB C 38.279 0.015 1 377 170 35 PHE N N 124.114 0.021 1 378 171 36 ARG H H 8.559 0.005 1 379 171 36 ARG HA H 4.511 0.000 1 380 171 36 ARG HB2 H 2.049 0.000 2 381 171 36 ARG HB3 H 2.417 0.000 2 382 171 36 ARG HD2 H 3.006 0.000 2 383 171 36 ARG HD3 H 3.174 0.000 2 384 171 36 ARG HE H 7.989 0.002 1 385 171 36 ARG HG2 H 1.737 0.000 2 386 171 36 ARG HG3 H 1.737 0.000 2 387 171 36 ARG HH11 H 6.747 0.000 2 388 171 36 ARG HH12 H 6.747 0.000 2 389 171 36 ARG HH21 H 7.147 0.000 . 390 171 36 ARG HH22 H 7.147 0.000 . 391 171 36 ARG C C 174.069 0.000 1 392 171 36 ARG CA C 56.004 0.000 1 393 171 36 ARG CB C 29.081 0.000 1 394 171 36 ARG CD C 44.139 0.009 1 395 171 36 ARG CG C 24.629 0.000 1 396 171 36 ARG CZ C 158.581 0.000 1 397 171 36 ARG N N 110.117 0.022 1 398 171 36 ARG NE N 84.940 0.000 1 399 171 36 ARG NH1 N 67.855 0.000 2 400 171 36 ARG NH2 N 73.309 0.000 2 401 172 37 TYR H H 8.082 0.002 1 402 172 37 TYR HA H 5.758 0.000 1 403 172 37 TYR HB2 H 2.994 0.000 2 404 172 37 TYR HB3 H 3.139 0.000 2 405 172 37 TYR CA C 53.708 0.000 1 406 172 37 TYR CB C 38.918 0.023 1 407 172 37 TYR CD1 C 132.127 0.000 3 408 172 37 TYR CD2 C 134.390 0.000 3 409 172 37 TYR CE1 C 118.347 0.000 3 410 172 37 TYR CE2 C 117.272 0.000 3 411 172 37 TYR N N 123.732 0.020 1 412 173 38 PRO HA H 4.449 0.000 1 413 173 38 PRO HB2 H 2.262 0.000 2 414 173 38 PRO HB3 H 2.344 0.000 2 415 173 38 PRO HD2 H 3.448 0.000 2 416 173 38 PRO HD3 H 4.449 0.000 2 417 173 38 PRO HG2 H 1.470 0.000 2 418 173 38 PRO HG3 H 2.038 0.000 2 419 173 38 PRO C C 177.153 0.000 1 420 173 38 PRO CA C 63.081 0.000 1 421 173 38 PRO CB C 31.764 0.001 1 422 173 38 PRO CD C 50.645 0.000 1 423 173 38 PRO CG C 26.686 0.000 1 424 174 39 VAL H H 5.771 0.003 1 425 174 39 VAL HA H 3.271 0.000 1 426 174 39 VAL HB H 0.734 0.000 1 427 174 39 VAL HG1 H 0.744 0.000 . 428 174 39 VAL HG2 H 1.129 0.000 . 429 174 39 VAL C C 174.209 0.000 1 430 174 39 VAL CA C 66.531 0.000 1 431 174 39 VAL CB C 32.592 0.000 1 432 174 39 VAL CG1 C 22.965 0.000 2 433 174 39 VAL CG2 C 20.538 0.000 2 434 174 39 VAL N N 120.189 0.012 1 435 175 40 ASP H H 6.500 0.003 1 436 175 40 ASP HA H 5.310 0.000 1 437 175 40 ASP HB2 H 2.555 0.000 2 438 175 40 ASP HB3 H 2.696 0.000 2 439 175 40 ASP C C 176.439 0.000 1 440 175 40 ASP CA C 51.620 0.000 1 441 175 40 ASP CB C 45.297 0.004 1 442 175 40 ASP N N 110.520 0.004 1 443 176 41 GLY H H 11.293 0.001 1 444 176 41 GLY HA2 H 3.249 0.000 . 445 176 41 GLY HA3 H 4.145 0.000 2 446 176 41 GLY CA C 45.497 0.005 1 447 176 41 GLY N N 106.614 0.003 1 448 177 42 CYS HA H 3.845 0.000 1 449 177 42 CYS HB2 H 2.991 0.000 2 450 177 42 CYS HB3 H 3.049 0.000 2 451 177 42 CYS C C 175.833 0.000 1 452 177 42 CYS CA C 60.319 0.000 1 453 177 42 CYS CB C 27.522 0.006 1 454 178 43 TYR H H 7.323 0.004 1 455 178 43 TYR HA H 4.289 0.000 1 456 178 43 TYR HB2 H 2.531 0.000 2 457 178 43 TYR HB3 H 3.094 0.000 2 458 178 43 TYR HD1 H 7.315 0.003 3 459 178 43 TYR HD2 H 7.315 0.003 3 460 178 43 TYR HE1 H 7.110 0.002 3 461 178 43 TYR HE2 H 7.110 0.002 3 462 178 43 TYR C C 176.436 0.000 1 463 178 43 TYR CA C 56.550 0.000 1 464 178 43 TYR CB C 35.279 0.034 1 465 178 43 TYR CD1 C 135.819 0.000 3 466 178 43 TYR CD2 C 135.806 0.000 3 467 178 43 TYR CE1 C 118.152 0.000 3 468 178 43 TYR CE2 C 118.130 0.000 3 469 178 43 TYR N N 122.797 0.014 1 470 179 44 ALA H H 5.633 0.006 1 471 179 44 ALA HA H 4.855 0.000 1 472 179 44 ALA HB H 1.546 0.000 . 473 179 44 ALA C C 178.929 0.000 1 474 179 44 ALA CA C 54.339 0.000 1 475 179 44 ALA CB C 18.357 0.000 1 476 179 44 ALA N N 128.974 0.014 1 477 180 45 ARG H H 7.920 0.004 1 478 180 45 ARG HA H 3.839 0.000 1 479 180 45 ARG HB2 H 1.445 0.000 2 480 180 45 ARG HB3 H 1.957 0.000 2 481 180 45 ARG HD2 H 2.598 0.000 2 482 180 45 ARG HD3 H 3.458 0.000 2 483 180 45 ARG HE H 8.997 0.001 1 484 180 45 ARG HG2 H 0.905 0.000 2 485 180 45 ARG HG3 H 2.073 0.000 2 486 180 45 ARG HH11 H 7.308 0.000 2 487 180 45 ARG HH12 H 7.308 0.000 2 488 180 45 ARG C C 178.343 0.000 1 489 180 45 ARG CA C 60.906 0.000 1 490 180 45 ARG CB C 29.784 0.006 1 491 180 45 ARG CD C 43.022 0.008 1 492 180 45 ARG CG C 26.648 0.020 1 493 180 45 ARG CZ C 160.640 0.000 1 494 180 45 ARG N N 114.197 0.009 1 495 180 45 ARG NE N 80.612 0.000 1 496 181 46 ALA H H 8.323 0.002 1 497 181 46 ALA HA H 4.229 0.000 1 498 181 46 ALA HB H 1.414 0.000 . 499 181 46 ALA C C 178.516 0.000 1 500 181 46 ALA CA C 55.128 0.000 1 501 181 46 ALA CB C 17.889 0.000 1 502 181 46 ALA N N 117.040 0.003 1 503 182 47 HIS H H 7.999 0.001 1 504 182 47 HIS HA H 4.860 0.000 1 505 182 47 HIS HB2 H 3.539 0.000 2 506 182 47 HIS HB3 H 4.192 0.000 2 507 182 47 HIS HD1 H 8.957 0.000 1 508 182 47 HIS HD2 H 7.329 0.001 1 509 182 47 HIS HE1 H 7.805 0.000 1 510 182 47 HIS HE2 H 10.747 0.006 1 511 182 47 HIS C C 178.807 0.000 1 512 182 47 HIS CA C 59.468 0.000 1 513 182 47 HIS CB C 31.560 0.026 1 514 182 47 HIS CD2 C 118.177 0.000 1 515 182 47 HIS CE1 C 138.885 0.004 1 516 182 47 HIS N N 121.093 0.000 1 517 182 47 HIS NE2 N 164.497 0.000 1 518 183 48 LYS H H 8.322 0.002 1 519 183 48 LYS HA H 4.267 0.000 1 520 183 48 LYS HB2 H 1.766 0.000 2 521 183 48 LYS HB3 H 2.014 0.000 2 522 183 48 LYS HD2 H 1.466 0.000 2 523 183 48 LYS HD3 H 2.107 0.000 2 524 183 48 LYS HE2 H 2.767 0.000 2 525 183 48 LYS HE3 H 2.852 0.000 2 526 183 48 LYS HG2 H 1.285 0.000 2 527 183 48 LYS HG3 H 1.473 0.000 2 528 183 48 LYS C C 178.366 0.000 1 529 183 48 LYS CA C 56.652 0.000 1 530 183 48 LYS CB C 32.377 0.001 1 531 183 48 LYS CD C 28.572 0.001 1 532 183 48 LYS CE C 42.665 0.001 1 533 183 48 LYS CG C 23.859 0.005 1 534 183 48 LYS N N 118.920 0.002 1 535 184 49 MET H H 8.246 0.003 1 536 184 49 MET HA H 3.907 0.000 1 537 184 49 MET HB2 H 2.007 0.000 2 538 184 49 MET HB3 H 2.791 0.000 2 539 184 49 MET HE H 2.571 0.000 . 540 184 49 MET HG2 H 2.411 0.000 2 541 184 49 MET HG3 H 3.480 0.000 2 542 184 49 MET C C 177.676 0.000 1 543 184 49 MET CA C 61.494 0.000 1 544 184 49 MET CB C 35.703 0.001 1 545 184 49 MET CE C 17.885 0.000 1 546 184 49 MET CG C 33.239 0.012 1 547 184 49 MET N N 116.286 0.023 1 548 185 50 ARG H H 7.931 0.001 1 549 185 50 ARG HA H 4.002 0.000 1 550 185 50 ARG HB2 H 1.477 0.000 2 551 185 50 ARG HB3 H 2.011 0.000 2 552 185 50 ARG HD2 H 2.721 0.000 2 553 185 50 ARG HD3 H 2.846 0.000 2 554 185 50 ARG HE H 9.546 0.002 1 555 185 50 ARG HG2 H 1.689 0.000 2 556 185 50 ARG HG3 H 1.689 0.000 2 557 185 50 ARG HH11 H 6.650 0.000 2 558 185 50 ARG HH12 H 6.650 0.000 2 559 185 50 ARG HH21 H 6.948 0.000 . 560 185 50 ARG HH22 H 6.948 0.000 . 561 185 50 ARG C C 176.751 0.000 1 562 185 50 ARG CA C 59.534 0.000 1 563 185 50 ARG CB C 28.867 0.006 1 564 185 50 ARG CD C 44.621 0.002 1 565 185 50 ARG N N 116.748 0.012 1 566 185 50 ARG NE N 89.856 0.000 1 567 186 51 GLN H H 7.654 0.001 1 568 186 51 GLN HA H 3.944 0.000 1 569 186 51 GLN HB2 H 1.977 0.000 2 570 186 51 GLN HB3 H 2.612 0.000 2 571 186 51 GLN HE21 H 7.113 0.003 2 572 186 51 GLN HE22 H 7.708 0.002 2 573 186 51 GLN HG2 H 2.267 0.000 2 574 186 51 GLN HG3 H 2.451 0.000 2 575 186 51 GLN C C 177.098 0.000 1 576 186 51 GLN CA C 59.563 0.000 1 577 186 51 GLN CB C 27.971 0.003 1 578 186 51 GLN CD C 179.512 0.010 1 579 186 51 GLN CG C 33.222 0.001 1 580 186 51 GLN N N 120.653 0.000 1 581 186 51 GLN NE2 N 113.596 0.000 1 582 187 52 ILE H H 7.617 0.003 1 583 187 52 ILE HA H 3.806 0.000 1 584 187 52 ILE HB H 2.148 0.000 1 585 187 52 ILE HD1 H 0.918 0.000 . 586 187 52 ILE HG12 H 1.412 0.000 2 587 187 52 ILE HG13 H 1.777 0.000 2 588 187 52 ILE HG2 H 0.831 0.000 . 589 187 52 ILE C C 179.305 0.000 1 590 187 52 ILE CA C 64.871 0.000 1 591 187 52 ILE CB C 37.068 0.000 1 592 187 52 ILE CD1 C 14.751 0.000 1 593 187 52 ILE CG1 C 28.814 0.001 1 594 187 52 ILE CG2 C 16.923 0.000 1 595 187 52 ILE N N 118.642 0.007 1 596 188 53 LEU H H 7.682 0.004 1 597 188 53 LEU HA H 3.942 0.000 1 598 188 53 LEU HB2 H 1.907 0.000 2 599 188 53 LEU HB3 H 1.907 0.000 2 600 188 53 LEU HD1 H 0.828 0.000 . 601 188 53 LEU HD2 H 0.853 0.000 . 602 188 53 LEU HG H 1.801 0.000 1 603 188 53 LEU C C 180.446 0.000 1 604 188 53 LEU CA C 60.931 0.000 1 605 188 53 LEU CB C 40.695 0.000 1 606 188 53 LEU CD1 C 25.893 0.000 2 607 188 53 LEU CD2 C 25.705 0.000 2 608 188 53 LEU CG C 30.305 0.000 1 609 188 53 LEU N N 122.290 0.002 1 610 189 54 MET H H 9.012 0.005 1 611 189 54 MET HA H 4.560 0.000 1 612 189 54 MET HB2 H 2.214 0.000 2 613 189 54 MET HB3 H 2.214 0.000 2 614 189 54 MET HE H 2.060 0.000 . 615 189 54 MET HG2 H 2.465 0.000 2 616 189 54 MET HG3 H 2.858 0.000 2 617 189 54 MET C C 181.282 0.000 1 618 189 54 MET CA C 59.868 0.000 1 619 189 54 MET CB C 33.404 0.000 1 620 189 54 MET CE C 16.166 0.000 1 621 189 54 MET CG C 31.221 0.000 1 622 189 54 MET N N 122.357 0.000 1 623 190 55 ASN H H 8.848 0.002 1 624 190 55 ASN HA H 4.541 0.000 1 625 190 55 ASN HB2 H 2.986 0.000 2 626 190 55 ASN HB3 H 3.146 0.000 2 627 190 55 ASN HD21 H 6.762 0.002 2 628 190 55 ASN HD22 H 7.731 0.001 2 629 190 55 ASN C C 176.373 0.000 1 630 190 55 ASN CA C 55.045 0.000 1 631 190 55 ASN CB C 37.688 0.004 1 632 190 55 ASN CG C 176.097 0.016 1 633 190 55 ASN N N 121.275 0.014 1 634 190 55 ASN ND2 N 109.348 0.000 1 635 191 56 ASN H H 7.851 0.003 1 636 191 56 ASN HA H 4.800 0.000 1 637 191 56 ASN HB2 H 2.975 0.000 2 638 191 56 ASN HB3 H 3.164 0.000 2 639 191 56 ASN C C 173.318 0.000 1 640 191 56 ASN CA C 54.151 0.000 1 641 191 56 ASN CB C 42.684 0.006 1 642 191 56 ASN N N 116.039 0.011 1 643 192 57 GLY H H 7.962 0.005 1 644 192 57 GLY HA2 H 3.552 0.000 . 645 192 57 GLY HA3 H 4.082 0.000 2 646 192 57 GLY C C 173.947 0.000 1 647 192 57 GLY CA C 45.298 0.002 1 648 192 57 GLY N N 105.504 0.011 1 649 193 58 TYR H H 8.380 0.001 1 650 193 58 TYR HA H 5.623 0.000 1 651 193 58 TYR HB2 H 2.345 0.000 2 652 193 58 TYR HB3 H 3.252 0.000 2 653 193 58 TYR HD1 H 6.897 0.000 3 654 193 58 TYR HD2 H 6.897 0.000 3 655 193 58 TYR HE1 H 6.857 0.002 3 656 193 58 TYR HE2 H 6.857 0.002 3 657 193 58 TYR C C 172.554 0.000 1 658 193 58 TYR CA C 57.716 0.000 1 659 193 58 TYR CB C 42.443 0.008 1 660 193 58 TYR CD1 C 133.835 0.000 3 661 193 58 TYR CD2 C 133.813 0.000 3 662 193 58 TYR CE1 C 117.917 0.000 3 663 193 58 TYR CE2 C 117.893 0.000 3 664 193 58 TYR N N 121.795 0.005 1 665 194 59 ASP H H 8.169 0.001 1 666 194 59 ASP HA H 5.111 0.000 1 667 194 59 ASP HB2 H 2.347 0.000 2 668 194 59 ASP HB3 H 2.881 0.000 2 669 194 59 ASP C C 174.555 0.000 1 670 194 59 ASP CA C 50.545 0.000 1 671 194 59 ASP CB C 44.498 0.003 1 672 194 59 ASP N N 117.826 0.002 1 673 195 60 CYS H H 10.009 0.003 1 674 195 60 CYS HA H 5.375 0.000 1 675 195 60 CYS HB2 H 2.886 0.000 2 676 195 60 CYS HB3 H 3.255 0.000 2 677 195 60 CYS HG H 2.086 0.000 1 678 195 60 CYS C C 172.209 0.000 1 679 195 60 CYS CA C 56.079 0.000 1 680 195 60 CYS CB C 31.445 0.002 1 681 195 60 CYS N N 112.028 0.024 1 682 196 61 GLU H H 7.784 0.002 1 683 196 61 GLU HA H 4.895 0.000 1 684 196 61 GLU HB2 H 2.032 0.000 2 685 196 61 GLU HB3 H 2.540 0.000 2 686 196 61 GLU HG2 H 2.269 0.000 2 687 196 61 GLU HG3 H 2.322 0.000 2 688 196 61 GLU C C 177.793 0.000 1 689 196 61 GLU CA C 55.124 0.000 1 690 196 61 GLU CB C 35.306 0.001 1 691 196 61 GLU CG C 38.375 0.004 1 692 196 61 GLU N N 114.481 0.014 1 693 197 62 LYS H H 8.861 0.003 1 694 197 62 LYS HA H 4.898 0.000 1 695 197 62 LYS HB2 H 1.072 0.000 2 696 197 62 LYS HB3 H 2.262 0.000 2 697 197 62 LYS HD2 H 1.361 0.000 2 698 197 62 LYS HD3 H 1.612 0.000 2 699 197 62 LYS HE2 H 2.702 0.000 2 700 197 62 LYS HE3 H 3.350 0.000 2 701 197 62 LYS HG2 H 1.362 0.000 2 702 197 62 LYS HG3 H 1.820 0.000 2 703 197 62 LYS HZ H 8.937 0.000 1 704 197 62 LYS C C 175.401 0.000 1 705 197 62 LYS CA C 54.152 0.000 1 706 197 62 LYS CB C 35.484 0.008 1 707 197 62 LYS CD C 29.647 0.001 1 708 197 62 LYS CE C 41.206 0.003 1 709 197 62 LYS CG C 24.416 0.003 1 710 197 62 LYS N N 119.276 0.000 1 711 197 62 LYS NZ N 35.904 0.000 1 712 198 63 GLN H H 7.444 0.004 1 713 198 63 GLN HA H 5.557 0.000 1 714 198 63 GLN HB2 H 1.845 0.000 2 715 198 63 GLN HB3 H 1.845 0.000 2 716 198 63 GLN HE21 H 7.362 0.004 2 717 198 63 GLN HE22 H 8.578 0.002 2 718 198 63 GLN HG2 H 2.086 0.000 2 719 198 63 GLN HG3 H 2.925 0.000 2 720 198 63 GLN C C 173.427 0.000 1 721 198 63 GLN CA C 56.446 0.000 1 722 198 63 GLN CB C 34.491 0.000 1 723 198 63 GLN CD C 179.642 0.025 1 724 198 63 GLN CG C 37.980 0.000 1 725 198 63 GLN N N 117.946 0.001 1 726 198 63 GLN NE2 N 107.230 0.002 1 727 199 64 PHE H H 9.403 0.004 1 728 199 64 PHE HA H 5.262 0.000 1 729 199 64 PHE HB2 H 2.607 0.000 2 730 199 64 PHE HB3 H 3.103 0.000 2 731 199 64 PHE HD1 H 7.209 0.001 3 732 199 64 PHE HD2 H 7.209 0.001 3 733 199 64 PHE HE1 H 7.388 0.000 3 734 199 64 PHE HE2 H 7.388 0.000 3 735 199 64 PHE HZ H 6.909 0.000 1 736 199 64 PHE CA C 56.332 0.000 1 737 199 64 PHE CB C 43.720 0.017 1 738 199 64 PHE CD1 C 132.898 0.000 3 739 199 64 PHE CD2 C 132.898 0.000 3 740 199 64 PHE CE1 C 131.254 0.000 3 741 199 64 PHE CE2 C 131.254 0.000 3 742 199 64 PHE CZ C 129.734 0.000 1 743 199 64 PHE N N 123.930 0.011 1 744 200 65 VAL H H 9.238 0.000 1 745 200 65 VAL HA H 5.019 0.000 1 746 200 65 VAL HB H 1.868 0.000 1 747 200 65 VAL HG1 H 0.805 0.000 . 748 200 65 VAL HG2 H 1.091 0.000 . 749 200 65 VAL C C 172.098 0.000 1 750 200 65 VAL CA C 59.578 0.000 1 751 200 65 VAL CB C 35.377 0.000 1 752 200 65 VAL CG1 C 21.079 0.000 2 753 200 65 VAL CG2 C 24.175 0.000 2 754 200 65 VAL N N 120.983 0.000 1 755 201 66 TYR H H 9.029 0.003 1 756 201 66 TYR HA H 5.561 0.000 1 757 201 66 TYR HB2 H 2.942 0.000 2 758 201 66 TYR HB3 H 3.363 0.000 2 759 201 66 TYR HD1 H 7.380 0.003 3 760 201 66 TYR HD2 H 7.380 0.003 3 761 201 66 TYR HE1 H 6.505 0.004 3 762 201 66 TYR HE2 H 6.505 0.004 3 763 201 66 TYR C C 176.056 0.000 1 764 201 66 TYR CA C 56.443 0.000 1 765 201 66 TYR CB C 41.451 0.032 1 766 201 66 TYR CD1 C 135.055 0.000 3 767 201 66 TYR CD2 C 135.004 0.000 3 768 201 66 TYR CE1 C 116.167 0.000 3 769 201 66 TYR CE2 C 116.170 0.000 3 770 201 66 TYR N N 122.816 0.008 1 771 202 67 GLY H H 8.502 0.003 1 772 202 67 GLY HA2 H 4.125 0.000 . 773 202 67 GLY HA3 H 4.826 0.000 2 774 202 67 GLY C C 171.579 0.000 1 775 202 67 GLY CA C 46.413 0.003 1 776 202 67 GLY N N 108.175 0.011 1 777 203 68 ASN H H 8.377 0.005 1 778 203 68 ASN HA H 5.225 0.000 1 779 203 68 ASN HB2 H 2.797 0.000 2 780 203 68 ASN HB3 H 2.956 0.000 2 781 203 68 ASN HD21 H 6.610 0.002 2 782 203 68 ASN HD22 H 7.704 0.004 2 783 203 68 ASN C C 173.875 0.000 1 784 203 68 ASN CA C 51.531 0.000 1 785 203 68 ASN CB C 37.382 0.003 1 786 203 68 ASN CG C 177.350 0.019 1 787 203 68 ASN N N 123.546 0.003 1 788 203 68 ASN ND2 N 111.744 0.002 1 789 204 69 LEU H H 8.070 0.004 1 790 204 69 LEU HA H 4.748 0.000 1 791 204 69 LEU HB2 H 1.922 0.000 2 792 204 69 LEU HB3 H 2.204 0.000 2 793 204 69 LEU HD1 H 0.642 0.000 . 794 204 69 LEU HD2 H 0.852 0.000 . 795 204 69 LEU HG H 1.633 0.000 1 796 204 69 LEU C C 178.403 0.000 1 797 204 69 LEU CA C 54.808 0.000 1 798 204 69 LEU CB C 41.588 0.003 1 799 204 69 LEU CD1 C 21.483 0.000 2 800 204 69 LEU CD2 C 27.584 0.000 2 801 204 69 LEU CG C 27.326 0.000 1 802 204 69 LEU N N 117.977 0.003 1 803 205 70 LYS H H 8.337 0.003 1 804 205 70 LYS HA H 4.829 0.000 1 805 205 70 LYS HB2 H 1.239 0.000 2 806 205 70 LYS HB3 H 1.366 0.000 2 807 205 70 LYS HD2 H 1.148 0.000 2 808 205 70 LYS HD3 H 1.585 0.000 2 809 205 70 LYS HE2 H 2.952 0.000 2 810 205 70 LYS HE3 H 2.952 0.000 2 811 205 70 LYS HG2 H 1.095 0.000 2 812 205 70 LYS HG3 H 1.173 0.000 2 813 205 70 LYS C C 172.647 0.000 1 814 205 70 LYS CA C 54.619 0.000 1 815 205 70 LYS CB C 38.014 0.001 1 816 205 70 LYS CD C 28.585 0.005 1 817 205 70 LYS CE C 43.443 0.000 1 818 205 70 LYS CG C 25.860 0.001 1 819 205 70 LYS N N 121.728 0.006 1 820 206 71 ALA H H 7.910 0.003 1 821 206 71 ALA HA H 4.721 0.000 1 822 206 71 ALA HB H 0.717 0.000 . 823 206 71 ALA C C 174.899 0.000 1 824 206 71 ALA CA C 50.046 0.000 1 825 206 71 ALA CB C 24.245 0.000 1 826 206 71 ALA N N 121.516 0.000 1 827 207 72 SER H H 8.615 0.002 1 828 207 72 SER HA H 5.318 0.000 1 829 207 72 SER HB2 H 3.486 0.000 2 830 207 72 SER HB3 H 3.591 0.000 2 831 207 72 SER C C 176.068 0.000 1 832 207 72 SER CA C 54.910 0.000 1 833 207 72 SER CB C 65.296 0.000 1 834 207 72 SER N N 111.540 0.006 1 835 208 73 THR H H 8.834 0.002 1 836 208 73 THR HA H 4.548 0.000 1 837 208 73 THR HB H 4.666 0.000 1 838 208 73 THR HG2 H 1.202 0.000 . 839 208 73 THR C C 175.296 0.000 1 840 208 73 THR CA C 61.240 0.000 1 841 208 73 THR CB C 70.495 0.000 1 842 208 73 THR CG2 C 22.045 0.000 1 843 208 73 THR N N 116.353 0.004 1 844 209 74 GLY H H 8.848 0.001 1 845 209 74 GLY HA2 H 3.538 0.000 . 846 209 74 GLY HA3 H 4.681 0.000 2 847 209 74 GLY C C 174.626 0.000 1 848 209 74 GLY CA C 45.320 0.003 1 849 209 74 GLY N N 112.447 0.002 1 850 210 75 THR H H 8.007 0.003 1 851 210 75 THR HA H 4.460 0.000 1 852 210 75 THR HB H 4.215 0.000 1 853 210 75 THR HG2 H 1.169 0.000 . 854 210 75 THR C C 173.537 0.000 1 855 210 75 THR CA C 62.125 0.000 1 856 210 75 THR CB C 70.393 0.000 1 857 210 75 THR CG2 C 21.718 0.000 1 858 210 75 THR N N 110.530 0.011 1 859 211 76 CYS H H 7.836 0.001 1 860 211 76 CYS HA H 4.915 0.000 1 861 211 76 CYS HB2 H 3.300 0.000 2 862 211 76 CYS HB3 H 3.422 0.000 2 863 211 76 CYS C C 171.824 0.000 1 864 211 76 CYS CA C 54.344 0.000 1 865 211 76 CYS CB C 44.527 0.000 1 866 211 76 CYS N N 117.468 0.012 1 867 212 77 CYS H H 8.563 0.002 1 868 212 77 CYS HA H 5.637 0.000 1 869 212 77 CYS HB2 H 2.771 0.000 2 870 212 77 CYS HB3 H 3.131 0.000 2 871 212 77 CYS C C 173.776 0.000 1 872 212 77 CYS CA C 56.568 0.000 1 873 212 77 CYS CB C 46.130 0.001 1 874 212 77 CYS N N 118.120 0.029 1 875 213 78 VAL H H 8.800 0.004 1 876 213 78 VAL HA H 4.404 0.000 1 877 213 78 VAL HB H 1.698 0.000 1 878 213 78 VAL HG1 H 0.044 0.000 . 879 213 78 VAL HG2 H 0.574 0.000 . 880 213 78 VAL C C 172.586 0.000 1 881 213 78 VAL CA C 58.919 0.000 1 882 213 78 VAL CB C 35.016 0.000 1 883 213 78 VAL CG1 C 19.246 0.000 2 884 213 78 VAL CG2 C 23.622 0.000 2 885 213 78 VAL N N 114.068 0.006 1 886 214 79 ALA H H 7.681 0.002 1 887 214 79 ALA HA H 4.983 0.000 1 888 214 79 ALA HB H 1.330 0.000 . 889 214 79 ALA C C 176.752 0.000 1 890 214 79 ALA CA C 50.239 0.000 1 891 214 79 ALA CB C 21.949 0.000 1 892 214 79 ALA N N 122.525 0.010 1 893 215 80 TRP H H 8.386 0.003 1 894 215 80 TRP HA H 5.577 0.000 1 895 215 80 TRP HB2 H 2.978 0.000 2 896 215 80 TRP HB3 H 3.720 0.000 2 897 215 80 TRP HD1 H 7.300 0.003 1 898 215 80 TRP HE1 H 9.558 0.000 1 899 215 80 TRP HE3 H 6.917 0.000 1 900 215 80 TRP HH2 H 6.252 0.000 1 901 215 80 TRP HZ2 H 7.111 0.000 1 902 215 80 TRP HZ3 H 6.488 0.000 1 903 215 80 TRP C C 175.481 0.000 1 904 215 80 TRP CA C 53.941 0.000 1 905 215 80 TRP CB C 34.766 0.012 1 906 215 80 TRP CD1 C 125.607 0.000 1 907 215 80 TRP CH2 C 122.869 0.000 1 908 215 80 TRP CZ2 C 114.184 0.000 1 909 215 80 TRP CZ3 C 121.687 0.000 1 910 215 80 TRP N N 120.774 0.018 1 911 215 80 TRP NE1 N 127.704 0.000 1 912 216 81 SER H H 9.376 0.002 1 913 216 81 SER HA H 5.826 0.000 1 914 216 81 SER HB2 H 4.336 0.000 2 915 216 81 SER HB3 H 4.418 0.000 2 916 216 81 SER C C 175.568 0.000 1 917 216 81 SER CA C 58.699 0.000 1 918 216 81 SER CB C 64.568 0.000 1 919 216 81 SER N N 114.166 0.000 1 920 217 82 TYR H H 7.871 0.003 1 921 217 82 TYR HA H 5.786 0.000 1 922 217 82 TYR HB2 H 3.047 0.000 2 923 217 82 TYR HB3 H 3.597 0.000 2 924 217 82 TYR HD1 H 7.192 0.000 3 925 217 82 TYR HD2 H 7.192 0.000 3 926 217 82 TYR HE1 H 6.924 0.001 3 927 217 82 TYR HE2 H 6.924 0.001 3 928 217 82 TYR C C 171.667 0.000 1 929 217 82 TYR CA C 56.778 0.000 1 930 217 82 TYR CB C 41.008 0.019 1 931 217 82 TYR CD1 C 133.549 0.000 3 932 217 82 TYR CD2 C 133.510 0.000 3 933 217 82 TYR CE1 C 118.205 0.000 3 934 217 82 TYR CE2 C 118.205 0.000 3 935 217 82 TYR N N 119.118 0.022 1 936 218 83 HIS H H 9.260 0.002 1 937 218 83 HIS HA H 5.072 0.000 1 938 218 83 HIS HB2 H 2.390 0.000 2 939 218 83 HIS HB3 H 2.390 0.000 2 940 218 83 HIS HD1 H 12.720 0.000 1 941 218 83 HIS HD2 H 6.544 0.004 1 942 218 83 HIS HE1 H 7.139 0.000 1 943 218 83 HIS C C 172.435 0.000 1 944 218 83 HIS CA C 54.333 0.000 1 945 218 83 HIS CB C 34.163 0.001 1 946 218 83 HIS CD2 C 119.674 0.000 1 947 218 83 HIS CE1 C 136.391 0.000 1 948 218 83 HIS N N 118.992 0.009 1 949 219 84 VAL H H 6.540 0.004 1 950 219 84 VAL HA H 5.672 0.000 1 951 219 84 VAL HB H 1.689 0.000 1 952 219 84 VAL HG1 H 0.686 0.000 . 953 219 84 VAL HG2 H 0.010 0.000 . 954 219 84 VAL C C 171.556 0.000 1 955 219 84 VAL CA C 58.053 0.000 1 956 219 84 VAL CB C 34.852 0.000 1 957 219 84 VAL CG1 C 18.939 0.000 2 958 219 84 VAL CG2 C 21.564 0.000 2 959 219 84 VAL N N 120.496 0.015 1 960 220 85 ALA H H 7.514 0.004 1 961 220 85 ALA HA H 4.182 0.000 1 962 220 85 ALA HB H 1.152 0.000 . 963 220 85 ALA C C 175.260 0.000 1 964 220 85 ALA CA C 51.197 0.000 1 965 220 85 ALA CB C 21.336 0.000 1 966 220 85 ALA N N 124.159 0.020 1 967 221 86 ILE H H 6.347 0.004 1 968 221 86 ILE HA H 4.803 0.000 1 969 221 86 ILE HB H 2.188 0.000 1 970 221 86 ILE HD1 H 0.861 0.000 . 971 221 86 ILE HG12 H 1.350 0.000 2 972 221 86 ILE HG13 H 1.842 0.000 2 973 221 86 ILE HG2 H 1.011 0.000 . 974 221 86 ILE C C 172.088 0.000 1 975 221 86 ILE CA C 60.747 0.000 1 976 221 86 ILE CB C 39.215 0.000 1 977 221 86 ILE CD1 C 15.477 0.000 1 978 221 86 ILE CG1 C 25.381 0.002 1 979 221 86 ILE CG2 C 21.142 0.000 1 980 221 86 ILE N N 106.157 0.012 1 981 222 87 LEU H H 8.518 0.004 1 982 222 87 LEU HA H 4.819 0.000 1 983 222 87 LEU HB2 H 0.765 0.000 2 984 222 87 LEU HB3 H 1.584 0.000 2 985 222 87 LEU HD1 H 0.611 0.000 . 986 222 87 LEU HD2 H 0.772 0.000 . 987 222 87 LEU HG H 1.123 0.000 1 988 222 87 LEU C C 176.294 0.000 1 989 222 87 LEU CA C 53.239 0.000 1 990 222 87 LEU CB C 44.418 0.000 1 991 222 87 LEU CD1 C 23.025 0.000 2 992 222 87 LEU CD2 C 25.775 0.000 2 993 222 87 LEU CG C 27.091 0.000 1 994 222 87 LEU N N 126.201 0.003 1 995 223 88 VAL H H 9.594 0.003 1 996 223 88 VAL HA H 4.730 0.000 1 997 223 88 VAL HB H 2.268 0.000 1 998 223 88 VAL HG1 H 0.840 0.000 . 999 223 88 VAL HG2 H 0.886 0.000 . 1000 223 88 VAL C C 174.699 0.000 1 1001 223 88 VAL CA C 59.949 0.000 1 1002 223 88 VAL CB C 33.168 0.000 1 1003 223 88 VAL CG1 C 19.430 0.000 2 1004 223 88 VAL CG2 C 23.185 0.000 2 1005 223 88 VAL N N 124.991 0.034 1 1006 224 89 SER H H 8.724 0.001 1 1007 224 89 SER HA H 5.706 0.000 1 1008 224 89 SER HB2 H 3.575 0.000 2 1009 224 89 SER HB3 H 4.191 0.000 2 1010 224 89 SER C C 173.078 0.000 1 1011 224 89 SER CA C 57.689 0.000 1 1012 224 89 SER CB C 66.069 0.000 1 1013 224 89 SER N N 118.439 0.003 1 1014 225 90 TYR H H 9.436 0.001 1 1015 225 90 TYR HA H 5.738 0.000 1 1016 225 90 TYR HB2 H 2.459 0.000 2 1017 225 90 TYR HB3 H 2.619 0.000 2 1018 225 90 TYR HD1 H 6.574 0.001 3 1019 225 90 TYR HD2 H 6.574 0.001 3 1020 225 90 TYR HE1 H 6.360 0.000 3 1021 225 90 TYR HE2 H 6.360 0.000 3 1022 225 90 TYR C C 171.692 0.000 1 1023 225 90 TYR CA C 55.268 0.000 1 1024 225 90 TYR CB C 42.058 0.042 1 1025 225 90 TYR CD1 C 133.118 0.000 3 1026 225 90 TYR CD2 C 133.075 0.000 3 1027 225 90 TYR CE1 C 118.573 0.000 3 1028 225 90 TYR CE2 C 118.573 0.000 3 1029 225 90 TYR N N 121.924 0.023 1 1030 226 91 LYS H H 7.376 0.002 1 1031 226 91 LYS HA H 4.400 0.000 1 1032 226 91 LYS HB2 H 1.534 0.000 2 1033 226 91 LYS HB3 H 1.879 0.000 2 1034 226 91 LYS HD2 H 1.534 0.000 2 1035 226 91 LYS HD3 H 1.618 0.000 2 1036 226 91 LYS HE2 H 2.940 0.000 2 1037 226 91 LYS HE3 H 2.940 0.000 2 1038 226 91 LYS HG2 H 1.263 0.000 2 1039 226 91 LYS HG3 H 1.328 0.000 2 1040 226 91 LYS C C 175.810 0.000 1 1041 226 91 LYS CA C 54.589 0.000 1 1042 226 91 LYS CB C 33.269 0.000 1 1043 226 91 LYS CD C 29.431 0.002 1 1044 226 91 LYS CE C 42.129 0.000 1 1045 226 91 LYS CG C 24.834 0.000 1 1046 226 91 LYS N N 118.609 0.002 1 1047 227 92 ASN H H 8.536 0.002 1 1048 227 92 ASN HA H 4.614 0.000 1 1049 227 92 ASN HB2 H 2.691 0.000 2 1050 227 92 ASN HB3 H 3.629 0.000 2 1051 227 92 ASN HD21 H 6.870 0.002 2 1052 227 92 ASN HD22 H 8.418 0.002 2 1053 227 92 ASN C C 177.310 0.000 1 1054 227 92 ASN CA C 50.928 0.000 1 1055 227 92 ASN CB C 38.244 0.000 1 1056 227 92 ASN CG C 176.524 0.012 1 1057 227 92 ASN N N 121.819 0.008 1 1058 227 92 ASN ND2 N 112.365 0.000 1 1059 228 93 ALA H H 8.532 0.000 1 1060 228 93 ALA HA H 4.269 0.000 1 1061 228 93 ALA HB H 1.573 0.000 . 1062 228 93 ALA C C 179.023 0.000 1 1063 228 93 ALA CA C 55.087 0.000 1 1064 228 93 ALA CB C 18.472 0.000 1 1065 228 93 ALA N N 120.349 0.006 1 1066 229 94 SER H H 8.070 0.002 1 1067 229 94 SER HA H 4.690 0.000 1 1068 229 94 SER HB2 H 3.949 0.000 2 1069 229 94 SER HB3 H 4.104 0.000 2 1070 229 94 SER C C 174.331 0.000 1 1071 229 94 SER CA C 58.246 0.000 1 1072 229 94 SER CB C 63.676 0.000 1 1073 229 94 SER N N 112.225 0.005 1 1074 230 95 GLY H H 8.296 0.004 1 1075 230 95 GLY HA2 H 3.675 0.000 . 1076 230 95 GLY HA3 H 4.298 0.000 2 1077 230 95 GLY C C 173.648 0.000 1 1078 230 95 GLY CA C 45.568 0.003 1 1079 230 95 GLY N N 108.941 0.022 1 1080 231 96 VAL H H 7.660 0.003 1 1081 231 96 VAL HA H 4.066 0.000 1 1082 231 96 VAL HB H 1.939 0.000 1 1083 231 96 VAL HG1 H 0.881 0.000 . 1084 231 96 VAL HG2 H 0.918 0.000 . 1085 231 96 VAL C C 175.409 0.000 1 1086 231 96 VAL CA C 61.517 0.000 1 1087 231 96 VAL CB C 33.473 0.000 1 1088 231 96 VAL CG1 C 21.410 0.000 2 1089 231 96 VAL CG2 C 20.894 0.000 2 1090 231 96 VAL N N 123.251 0.031 1 1091 232 97 THR H H 8.614 0.001 1 1092 232 97 THR HA H 4.470 0.000 1 1093 232 97 THR HB H 3.980 0.000 1 1094 232 97 THR HG2 H 1.018 0.000 . 1095 232 97 THR C C 173.811 0.000 1 1096 232 97 THR CA C 63.306 0.000 1 1097 232 97 THR CB C 68.431 0.000 1 1098 232 97 THR CG2 C 22.662 0.000 1 1099 232 97 THR N N 123.374 0.018 1 1100 233 98 GLU H H 9.035 0.004 1 1101 233 98 GLU HA H 4.484 0.000 1 1102 233 98 GLU HB2 H 1.252 0.000 2 1103 233 98 GLU HB3 H 1.823 0.000 2 1104 233 98 GLU HG2 H 2.012 0.000 2 1105 233 98 GLU HG3 H 2.053 0.000 2 1106 233 98 GLU C C 173.577 0.000 1 1107 233 98 GLU CA C 54.682 0.000 1 1108 233 98 GLU CB C 33.971 0.000 1 1109 233 98 GLU CG C 36.965 0.002 1 1110 233 98 GLU N N 129.576 0.013 1 1111 234 99 LYS H H 8.373 0.001 1 1112 234 99 LYS HA H 6.086 0.000 1 1113 234 99 LYS HB2 H 1.467 0.000 2 1114 234 99 LYS HB3 H 1.685 0.000 2 1115 234 99 LYS HD2 H 1.386 0.000 2 1116 234 99 LYS HD3 H 1.528 0.000 2 1117 234 99 LYS HE2 H 2.798 0.000 2 1118 234 99 LYS HE3 H 2.798 0.000 2 1119 234 99 LYS HG2 H 1.294 0.000 2 1120 234 99 LYS HG3 H 1.524 0.000 2 1121 234 99 LYS C C 179.093 0.000 1 1122 234 99 LYS CA C 54.554 0.000 1 1123 234 99 LYS CB C 36.283 0.003 1 1124 234 99 LYS CD C 30.352 0.004 1 1125 234 99 LYS CE C 41.913 0.000 1 1126 234 99 LYS CG C 24.995 0.009 1 1127 234 99 LYS N N 115.008 0.003 1 1128 235 100 ARG H H 9.056 0.002 1 1129 235 100 ARG HA H 4.595 0.000 1 1130 235 100 ARG HB2 H 1.283 0.000 2 1131 235 100 ARG HB3 H 1.730 0.000 2 1132 235 100 ARG HD2 H 2.459 0.000 2 1133 235 100 ARG HD3 H 3.207 0.000 2 1134 235 100 ARG HG2 H 1.490 0.000 2 1135 235 100 ARG HG3 H 1.734 0.000 2 1136 235 100 ARG C C 174.380 0.000 1 1137 235 100 ARG CA C 53.291 0.000 1 1138 235 100 ARG CB C 36.523 0.004 1 1139 235 100 ARG CD C 42.956 0.000 1 1140 235 100 ARG CG C 28.499 0.003 1 1141 235 100 ARG N N 120.986 0.002 1 1142 236 101 ILE H H 9.409 0.003 1 1143 236 101 ILE HA H 4.791 0.000 1 1144 236 101 ILE HB H 1.438 0.000 1 1145 236 101 ILE HD1 H -0.344 0.000 . 1146 236 101 ILE HG12 H 0.789 0.000 2 1147 236 101 ILE HG13 H 1.094 0.000 2 1148 236 101 ILE HG2 H -0.482 0.000 . 1149 236 101 ILE C C 176.982 0.000 1 1150 236 101 ILE CA C 56.867 0.000 1 1151 236 101 ILE CB C 36.915 0.000 1 1152 236 101 ILE CD1 C 9.336 0.000 1 1153 236 101 ILE CG1 C 25.085 0.004 1 1154 236 101 ILE CG2 C 16.086 0.000 1 1155 236 101 ILE N N 122.799 0.011 1 1156 237 102 ILE H H 7.828 0.000 1 1157 237 102 ILE HA H 4.094 0.000 1 1158 237 102 ILE HB H 1.693 0.000 1 1159 237 102 ILE HD1 H 0.871 0.000 . 1160 237 102 ILE HG12 H 0.874 0.000 2 1161 237 102 ILE HG13 H 1.684 0.000 2 1162 237 102 ILE HG2 H 1.108 0.000 . 1163 237 102 ILE C C 173.598 0.000 1 1164 237 102 ILE CA C 62.054 0.000 1 1165 237 102 ILE CB C 39.291 0.000 1 1166 237 102 ILE CD1 C 13.088 0.000 1 1167 237 102 ILE CG1 C 27.710 0.013 1 1168 237 102 ILE CG2 C 17.234 0.000 1 1169 237 102 ILE N N 123.819 0.004 1 1170 238 103 ASP H H 9.211 0.002 1 1171 238 103 ASP HA H 4.732 0.000 1 1172 238 103 ASP HB2 H 2.535 0.000 2 1173 238 103 ASP HB3 H 3.019 0.000 2 1174 238 103 ASP CA C 52.465 0.000 1 1175 238 103 ASP CB C 41.114 0.000 1 1176 238 103 ASP N N 117.813 0.009 1 1177 239 104 PRO HA H 4.507 0.000 1 1178 239 104 PRO HB2 H -0.189 0.000 2 1179 239 104 PRO HB3 H 1.796 0.000 2 1180 239 104 PRO HD2 H 3.404 0.000 2 1181 239 104 PRO HD3 H 3.666 0.000 2 1182 239 104 PRO HG2 H 0.905 0.000 2 1183 239 104 PRO HG3 H 1.267 0.000 2 1184 239 104 PRO C C 176.014 0.000 1 1185 239 104 PRO CA C 62.731 0.000 1 1186 239 104 PRO CB C 30.298 0.059 1 1187 239 104 PRO CD C 50.263 0.006 1 1188 239 104 PRO CG C 26.659 0.000 1 1189 240 105 SER H H 8.047 0.003 1 1190 240 105 SER HA H 4.430 0.000 1 1191 240 105 SER HB2 H 4.172 0.000 2 1192 240 105 SER HB3 H 4.277 0.000 2 1193 240 105 SER C C 173.321 0.000 1 1194 240 105 SER CA C 61.460 0.000 1 1195 240 105 SER CB C 64.272 0.000 1 1196 240 105 SER N N 112.075 0.019 1 1197 241 106 LEU H H 6.966 0.001 1 1198 241 106 LEU HA H 4.638 0.000 1 1199 241 106 LEU HB2 H 1.223 0.000 2 1200 241 106 LEU HB3 H 1.779 0.000 2 1201 241 106 LEU HD1 H 0.807 0.000 . 1202 241 106 LEU HD2 H 0.957 0.000 . 1203 241 106 LEU HG H 1.844 0.000 1 1204 241 106 LEU C C 175.799 0.000 1 1205 241 106 LEU CA C 55.537 0.000 1 1206 241 106 LEU CB C 47.568 0.007 1 1207 241 106 LEU CD1 C 22.421 0.000 2 1208 241 106 LEU CD2 C 26.270 0.000 2 1209 241 106 LEU CG C 26.666 0.000 1 1210 241 106 LEU N N 119.246 0.010 1 1211 242 107 PHE H H 8.678 0.000 1 1212 242 107 PHE HA H 4.908 0.000 1 1213 242 107 PHE HB2 H 3.014 0.000 2 1214 242 107 PHE HB3 H 3.231 0.000 2 1215 242 107 PHE HD1 H 7.376 0.000 3 1216 242 107 PHE HD2 H 7.376 0.000 3 1217 242 107 PHE HE1 H 7.475 0.001 3 1218 242 107 PHE HE2 H 7.475 0.001 3 1219 242 107 PHE HZ H 7.348 0.000 1 1220 242 107 PHE C C 175.884 0.000 1 1221 242 107 PHE CA C 57.471 0.000 1 1222 242 107 PHE CB C 40.506 0.026 1 1223 242 107 PHE CD1 C 133.175 0.000 3 1224 242 107 PHE CD2 C 133.200 0.000 3 1225 242 107 PHE CE1 C 130.885 0.000 3 1226 242 107 PHE CE2 C 130.897 0.000 3 1227 242 107 PHE CZ C 129.415 0.000 1 1228 242 107 PHE N N 118.149 0.001 1 1229 243 108 SER H H 8.990 0.002 1 1230 243 108 SER HA H 4.281 0.000 1 1231 243 108 SER HB2 H 3.980 0.000 2 1232 243 108 SER HB3 H 4.070 0.000 2 1233 243 108 SER C C 176.041 0.000 1 1234 243 108 SER CA C 60.280 0.000 1 1235 243 108 SER CB C 63.969 0.000 1 1236 243 108 SER N N 118.799 0.020 1 1237 244 109 SER H H 8.648 0.000 1 1238 244 109 SER HA H 4.543 0.000 1 1239 244 109 SER HB2 H 3.933 0.000 2 1240 244 109 SER HB3 H 3.933 0.000 2 1241 244 109 SER C C 174.198 0.000 1 1242 244 109 SER CA C 59.910 0.000 1 1243 244 109 SER CB C 63.720 0.000 1 1244 244 109 SER N N 114.125 0.006 1 1245 245 110 GLY H H 6.750 0.003 1 1246 245 110 GLY HA2 H 1.802 0.000 . 1247 245 110 GLY HA3 H 3.591 0.000 2 1248 245 110 GLY CA C 44.906 0.004 1 1249 245 110 GLY N N 108.258 0.001 1 1250 246 111 PRO HA H 4.676 0.000 1 1251 246 111 PRO HB2 H 1.511 0.000 2 1252 246 111 PRO HB3 H 1.889 0.000 2 1253 246 111 PRO HD2 H 2.673 0.000 2 1254 246 111 PRO HD3 H 3.088 0.000 2 1255 246 111 PRO HG2 H 1.337 0.000 2 1256 246 111 PRO HG3 H 1.727 0.000 2 1257 246 111 PRO C C 176.034 0.000 1 1258 246 111 PRO CA C 62.034 0.000 1 1259 246 111 PRO CB C 32.162 0.006 1 1260 246 111 PRO CD C 49.428 0.000 1 1261 246 111 PRO CG C 27.046 0.004 1 1262 247 112 VAL H H 8.776 0.001 1 1263 247 112 VAL HA H 4.754 0.000 1 1264 247 112 VAL HB H 1.778 0.000 1 1265 247 112 VAL HG1 H 0.221 0.000 . 1266 247 112 VAL HG2 H 0.356 0.000 . 1267 247 112 VAL C C 175.035 0.000 1 1268 247 112 VAL CA C 59.393 0.000 1 1269 247 112 VAL CB C 36.326 0.000 1 1270 247 112 VAL CG1 C 17.458 0.000 2 1271 247 112 VAL CG2 C 20.576 0.000 2 1272 247 112 VAL N N 115.838 0.014 1 1273 248 113 THR H H 8.511 0.001 1 1274 248 113 THR HA H 4.389 0.000 1 1275 248 113 THR HB H 4.731 0.000 1 1276 248 113 THR HG2 H 1.379 0.000 . 1277 248 113 THR C C 174.986 0.000 1 1278 248 113 THR CA C 62.123 0.000 1 1279 248 113 THR CB C 70.211 0.000 1 1280 248 113 THR CG2 C 21.933 0.000 1 1281 248 113 THR N N 114.028 0.022 1 1282 249 114 ASP H H 9.453 0.001 1 1283 249 114 ASP HA H 4.367 0.000 1 1284 249 114 ASP HB2 H 2.389 0.000 2 1285 249 114 ASP HB3 H 3.163 0.000 2 1286 249 114 ASP C C 178.371 0.000 1 1287 249 114 ASP CA C 57.204 0.000 1 1288 249 114 ASP CB C 38.002 0.002 1 1289 249 114 ASP N N 121.518 0.006 1 1290 250 115 THR H H 7.811 0.001 1 1291 250 115 THR HA H 3.755 0.000 1 1292 250 115 THR HB H 4.065 0.000 1 1293 250 115 THR HG2 H 1.267 0.000 . 1294 250 115 THR C C 176.514 0.000 1 1295 250 115 THR CA C 65.731 0.000 1 1296 250 115 THR CB C 68.555 0.000 1 1297 250 115 THR CG2 C 22.219 0.000 1 1298 250 115 THR N N 115.264 0.010 1 1299 251 116 ALA H H 7.662 0.001 1 1300 251 116 ALA HA H 4.160 0.000 1 1301 251 116 ALA HB H 1.376 0.000 . 1302 251 116 ALA C C 180.816 0.000 1 1303 251 116 ALA CA C 55.107 0.000 1 1304 251 116 ALA CB C 17.964 0.000 1 1305 251 116 ALA N N 124.939 0.016 1 1306 252 117 TRP H H 8.380 0.002 1 1307 252 117 TRP HA H 4.527 0.000 1 1308 252 117 TRP HB2 H 2.956 0.000 2 1309 252 117 TRP HB3 H 3.526 0.000 2 1310 252 117 TRP HD1 H 7.146 0.003 1 1311 252 117 TRP HE1 H 11.747 0.000 1 1312 252 117 TRP HE3 H 7.528 0.000 1 1313 252 117 TRP HH2 H 7.063 0.000 1 1314 252 117 TRP HZ2 H 6.418 0.000 1 1315 252 117 TRP HZ3 H 7.239 0.000 1 1316 252 117 TRP C C 177.297 0.000 1 1317 252 117 TRP CA C 61.693 0.000 1 1318 252 117 TRP CB C 28.116 0.023 1 1319 252 117 TRP CD1 C 124.147 0.013 1 1320 252 117 TRP CE3 C 120.904 0.000 1 1321 252 117 TRP CH2 C 124.820 0.000 1 1322 252 117 TRP CZ2 C 114.514 0.000 1 1323 252 117 TRP CZ3 C 122.854 0.000 1 1324 252 117 TRP N N 120.934 0.003 1 1325 252 117 TRP NE1 N 131.209 0.000 1 1326 253 118 ARG H H 8.861 0.004 1 1327 253 118 ARG HA H 3.479 0.000 1 1328 253 118 ARG HB2 H 1.401 0.000 2 1329 253 118 ARG HB3 H 1.952 0.000 2 1330 253 118 ARG HD2 H 2.556 0.000 2 1331 253 118 ARG HD3 H 3.019 0.000 2 1332 253 118 ARG HE H 7.346 0.002 1 1333 253 118 ARG HG2 H 1.058 0.000 2 1334 253 118 ARG HG3 H 2.559 0.000 2 1335 253 118 ARG HH11 H 6.389 0.000 2 1336 253 118 ARG HH12 H 6.389 0.000 2 1337 253 118 ARG HH21 H 6.814 0.000 . 1338 253 118 ARG HH22 H 6.814 0.000 . 1339 253 118 ARG C C 180.151 0.000 1 1340 253 118 ARG CA C 61.619 0.000 1 1341 253 118 ARG CB C 30.703 0.014 1 1342 253 118 ARG CD C 44.004 0.009 1 1343 253 118 ARG CG C 30.381 0.008 1 1344 253 118 ARG CZ C 157.966 0.000 1 1345 253 118 ARG N N 116.397 0.005 1 1346 253 118 ARG NE N 80.269 0.000 1 1347 253 118 ARG NH1 N 69.404 0.000 2 1348 254 119 ASN H H 7.849 0.002 1 1349 254 119 ASN HA H 4.451 0.000 1 1350 254 119 ASN HB2 H 2.871 0.000 2 1351 254 119 ASN HB3 H 2.921 0.000 2 1352 254 119 ASN HD21 H 6.982 0.001 2 1353 254 119 ASN HD22 H 7.715 0.002 2 1354 254 119 ASN C C 178.406 0.000 1 1355 254 119 ASN CA C 55.846 0.000 1 1356 254 119 ASN CB C 38.120 0.000 1 1357 254 119 ASN CG C 176.275 0.008 1 1358 254 119 ASN N N 115.301 0.004 1 1359 254 119 ASN ND2 N 112.366 0.001 1 1360 255 120 ALA H H 7.814 0.000 1 1361 255 120 ALA HA H 4.322 0.000 1 1362 255 120 ALA HB H 1.822 0.000 . 1363 255 120 ALA C C 177.154 0.000 1 1364 255 120 ALA CA C 53.886 0.000 1 1365 255 120 ALA CB C 19.323 0.000 1 1366 255 120 ALA N N 123.242 0.005 1 1367 256 121 CYS H H 7.088 0.002 1 1368 256 121 CYS HA H 4.178 0.000 1 1369 256 121 CYS HB2 H 2.808 0.000 2 1370 256 121 CYS HB3 H 3.090 0.000 2 1371 256 121 CYS HG H 2.222 0.000 1 1372 256 121 CYS C C 172.812 0.000 1 1373 256 121 CYS CA C 60.340 0.000 1 1374 256 121 CYS CB C 27.526 0.000 1 1375 256 121 CYS N N 111.524 0.012 1 1376 257 122 VAL H H 7.146 0.003 1 1377 257 122 VAL HA H 4.345 0.000 1 1378 257 122 VAL HB H 2.125 0.000 1 1379 257 122 VAL HG1 H 0.837 0.000 . 1380 257 122 VAL HG2 H 1.050 0.000 . 1381 257 122 VAL C C 174.344 0.000 1 1382 257 122 VAL CA C 58.411 0.000 1 1383 257 122 VAL CB C 31.170 0.000 1 1384 257 122 VAL CG1 C 24.407 0.000 2 1385 257 122 VAL CG2 C 20.023 0.000 2 1386 257 122 VAL N N 115.849 0.007 1 1387 258 123 ASN H H 8.085 0.003 1 1388 258 123 ASN HA H 4.672 0.000 1 1389 258 123 ASN HB2 H 2.604 0.000 2 1390 258 123 ASN HB3 H 2.604 0.000 2 1391 258 123 ASN HD21 H 7.355 0.003 2 1392 258 123 ASN HD22 H 8.183 0.001 2 1393 258 123 ASN C C 176.462 0.000 1 1394 258 123 ASN CA C 52.818 0.000 1 1395 258 123 ASN CB C 37.926 0.000 1 1396 258 123 ASN CG C 177.840 0.013 1 1397 258 123 ASN N N 119.642 0.016 1 1398 258 123 ASN ND2 N 113.722 0.002 1 1399 259 124 THR H H 8.218 0.003 1 1400 259 124 THR HA H 4.860 0.000 1 1401 259 124 THR HB H 4.505 0.000 1 1402 259 124 THR HG2 H 1.448 0.000 . 1403 259 124 THR C C 177.963 0.000 1 1404 259 124 THR CA C 63.201 0.000 1 1405 259 124 THR CB C 68.522 0.000 1 1406 259 124 THR CG2 C 22.230 0.000 1 1407 259 124 THR N N 116.788 0.002 1 1408 260 125 SER H H 8.612 0.002 1 1409 260 125 SER HA H 4.421 0.000 1 1410 260 125 SER HB2 H 3.907 0.000 2 1411 260 125 SER HB3 H 3.907 0.000 2 1412 260 125 SER C C 175.927 0.000 1 1413 260 125 SER CA C 61.307 0.000 1 1414 260 125 SER CB C 62.507 0.000 1 1415 260 125 SER N N 119.562 0.003 1 1416 261 126 CYS H H 7.846 0.003 1 1417 261 126 CYS HA H 4.669 0.000 1 1418 261 126 CYS HB2 H 2.747 0.000 2 1419 261 126 CYS HB3 H 3.086 0.000 2 1420 261 126 CYS C C 174.113 0.000 1 1421 261 126 CYS CA C 53.909 0.000 1 1422 261 126 CYS CB C 40.770 0.004 1 1423 261 126 CYS N N 117.726 0.018 1 1424 262 127 GLY H H 7.316 0.003 1 1425 262 127 GLY HA2 H 3.705 0.000 . 1426 262 127 GLY HA3 H 4.341 0.000 2 1427 262 127 GLY C C 171.296 0.000 1 1428 262 127 GLY CA C 43.745 0.000 1 1429 262 127 GLY N N 108.244 0.004 1 1430 263 128 SER H H 8.228 0.002 1 1431 263 128 SER HA H 4.238 0.000 1 1432 263 128 SER HB2 H 3.773 0.000 2 1433 263 128 SER HB3 H 3.827 0.000 2 1434 263 128 SER C C 173.496 0.000 1 1435 263 128 SER CA C 59.000 0.000 1 1436 263 128 SER CB C 63.291 0.000 1 1437 263 128 SER N N 113.490 0.015 1 1438 264 129 ALA H H 7.986 0.001 1 1439 264 129 ALA HA H 5.204 0.000 1 1440 264 129 ALA HB H 1.231 0.000 . 1441 264 129 ALA C C 176.244 0.000 1 1442 264 129 ALA CA C 51.684 0.000 1 1443 264 129 ALA CB C 22.541 0.000 1 1444 264 129 ALA N N 124.623 0.014 1 1445 265 130 SER H H 8.918 0.003 1 1446 265 130 SER HA H 4.512 0.000 1 1447 265 130 SER HB2 H 3.854 0.000 2 1448 265 130 SER HB3 H 4.076 0.000 2 1449 265 130 SER C C 172.207 0.000 1 1450 265 130 SER CA C 58.634 0.000 1 1451 265 130 SER CB C 64.683 0.003 1 1452 265 130 SER N N 112.884 0.018 1 1453 266 131 VAL H H 8.707 0.003 1 1454 266 131 VAL HA H 4.268 0.000 1 1455 266 131 VAL HB H 2.016 0.000 1 1456 266 131 VAL HG1 H 0.904 0.000 . 1457 266 131 VAL HG2 H 1.099 0.000 . 1458 266 131 VAL C C 176.533 0.000 1 1459 266 131 VAL CA C 62.109 0.000 1 1460 266 131 VAL CB C 34.096 0.000 1 1461 266 131 VAL CG1 C 22.712 0.000 2 1462 266 131 VAL CG2 C 21.863 0.000 2 1463 266 131 VAL N N 122.062 0.029 1 1464 267 132 SER H H 10.146 0.003 1 1465 267 132 SER HA H 4.758 0.000 1 1466 267 132 SER HB2 H 3.947 0.000 2 1467 267 132 SER HB3 H 3.947 0.000 2 1468 267 132 SER C C 174.663 0.000 1 1469 267 132 SER CA C 59.665 0.000 1 1470 267 132 SER CB C 63.967 0.000 1 1471 267 132 SER N N 123.672 0.004 1 1472 268 133 SER H H 8.204 0.001 1 1473 268 133 SER HA H 4.754 0.000 1 1474 268 133 SER HB2 H 3.942 0.000 2 1475 268 133 SER HB3 H 4.154 0.000 2 1476 268 133 SER C C 171.652 0.000 1 1477 268 133 SER CA C 58.615 0.000 1 1478 268 133 SER CB C 64.924 0.000 1 1479 268 133 SER N N 113.478 0.038 1 1480 269 134 TYR H H 8.244 0.000 1 1481 269 134 TYR HA H 5.848 0.000 1 1482 269 134 TYR HB2 H 3.169 0.000 2 1483 269 134 TYR HB3 H 3.431 0.000 2 1484 269 134 TYR HD1 H 6.843 0.002 3 1485 269 134 TYR HD2 H 6.843 0.002 3 1486 269 134 TYR HE1 H 6.799 0.000 3 1487 269 134 TYR HE2 H 6.799 0.000 3 1488 269 134 TYR C C 173.684 0.000 1 1489 269 134 TYR CA C 57.292 0.000 1 1490 269 134 TYR CB C 41.573 0.028 1 1491 269 134 TYR CD1 C 133.359 0.000 3 1492 269 134 TYR CD2 C 133.339 0.000 3 1493 269 134 TYR CE1 C 118.104 0.000 3 1494 269 134 TYR CE2 C 118.071 0.000 3 1495 269 134 TYR N N 113.743 0.015 1 1496 270 135 ALA H H 9.894 0.003 1 1497 270 135 ALA HA H 4.697 0.000 1 1498 270 135 ALA HB H 1.433 0.000 . 1499 270 135 ALA C C 175.054 0.000 1 1500 270 135 ALA CA C 52.092 0.000 1 1501 270 135 ALA CB C 23.000 0.000 1 1502 270 135 ALA N N 123.111 0.004 1 1503 271 136 ASN H H 8.879 0.002 1 1504 271 136 ASN HA H 6.365 0.000 1 1505 271 136 ASN HB2 H 2.666 0.000 2 1506 271 136 ASN HB3 H 2.824 0.000 2 1507 271 136 ASN HD21 H 6.655 0.001 2 1508 271 136 ASN HD22 H 7.446 0.002 2 1509 271 136 ASN C C 176.539 0.000 1 1510 271 136 ASN CA C 51.534 0.000 1 1511 271 136 ASN CB C 39.335 0.003 1 1512 271 136 ASN CG C 174.370 0.032 1 1513 271 136 ASN N N 120.914 0.005 1 1514 271 136 ASN ND2 N 108.093 0.002 1 1515 272 137 THR H H 9.665 0.005 1 1516 272 137 THR HA H 4.958 0.000 1 1517 272 137 THR HB H 4.550 0.000 1 1518 272 137 THR HG1 H 4.069 0.000 1 1519 272 137 THR HG2 H 1.214 0.000 . 1520 272 137 THR C C 174.197 0.000 1 1521 272 137 THR CA C 60.022 0.000 1 1522 272 137 THR CB C 73.279 0.000 1 1523 272 137 THR CG2 C 21.209 0.000 1 1524 272 137 THR N N 112.529 0.000 1 1525 273 138 ALA H H 8.634 0.000 1 1526 273 138 ALA HA H 4.608 0.000 1 1527 273 138 ALA HB H 1.686 0.000 . 1528 273 138 ALA C C 180.375 0.000 1 1529 273 138 ALA CA C 52.907 0.000 1 1530 273 138 ALA CB C 19.292 0.000 1 1531 273 138 ALA N N 121.228 0.012 1 1532 274 139 GLY H H 8.825 0.000 1 1533 274 139 GLY HA2 H 3.692 0.000 . 1534 274 139 GLY HA3 H 4.073 0.000 2 1535 274 139 GLY C C 172.925 0.000 1 1536 274 139 GLY CA C 48.019 0.000 1 1537 274 139 GLY N N 111.281 0.011 1 1538 275 140 ASN H H 8.138 0.004 1 1539 275 140 ASN HA H 4.535 0.000 1 1540 275 140 ASN HB2 H 3.005 0.000 2 1541 275 140 ASN HB3 H 3.242 0.000 2 1542 275 140 ASN HD21 H 6.776 0.003 2 1543 275 140 ASN HD22 H 7.701 0.002 2 1544 275 140 ASN C C 175.474 0.000 1 1545 275 140 ASN CA C 54.587 0.000 1 1546 275 140 ASN CB C 37.255 0.004 1 1547 275 140 ASN CG C 176.328 0.017 1 1548 275 140 ASN N N 111.382 0.014 1 1549 275 140 ASN ND2 N 111.457 0.009 1 1550 276 141 VAL H H 7.486 0.002 1 1551 276 141 VAL HA H 3.392 0.000 1 1552 276 141 VAL HB H 2.338 0.000 1 1553 276 141 VAL HG1 H 0.558 0.000 . 1554 276 141 VAL HG2 H 0.735 0.000 . 1555 276 141 VAL C C 174.555 0.000 1 1556 276 141 VAL CA C 64.924 0.000 1 1557 276 141 VAL CB C 31.671 0.000 1 1558 276 141 VAL CG1 C 22.545 0.000 2 1559 276 141 VAL CG2 C 22.562 0.000 2 1560 276 141 VAL N N 122.433 0.025 1 1561 277 142 TYR H H 8.532 0.000 1 1562 277 142 TYR HA H 4.410 0.000 1 1563 277 142 TYR HB2 H 2.482 0.000 2 1564 277 142 TYR HB3 H 2.573 0.000 2 1565 277 142 TYR C C 175.412 0.000 1 1566 277 142 TYR CA C 57.352 0.000 1 1567 277 142 TYR CB C 41.271 0.038 1 1568 277 142 TYR CD1 C 131.479 0.000 3 1569 277 142 TYR CD2 C 131.833 0.000 3 1570 277 142 TYR CE1 C 121.079 0.000 3 1571 277 142 TYR CE2 C 117.203 0.000 3 1572 277 142 TYR N N 130.928 0.039 1 1573 278 143 TYR H H 7.461 0.003 1 1574 278 143 TYR HA H 4.501 0.000 1 1575 278 143 TYR HB2 H 2.233 0.000 2 1576 278 143 TYR HB3 H 2.698 0.000 2 1577 278 143 TYR HD1 H 6.574 0.003 3 1578 278 143 TYR HD2 H 6.574 0.003 3 1579 278 143 TYR HE1 H 5.877 0.001 3 1580 278 143 TYR HE2 H 5.877 0.001 3 1581 278 143 TYR CA C 57.671 0.000 1 1582 278 143 TYR CB C 41.917 0.026 1 1583 278 143 TYR CD1 C 131.920 0.000 3 1584 278 143 TYR CD2 C 131.904 0.000 3 1585 278 143 TYR CE1 C 118.473 0.000 3 1586 278 143 TYR CE2 C 118.491 0.000 3 1587 278 143 TYR N N 114.396 0.005 1 1588 279 144 ARG HA H 4.512 0.000 1 1589 279 144 ARG HB2 H -0.304 0.000 2 1590 279 144 ARG HB3 H 0.580 0.000 2 1591 279 144 ARG HD2 H 2.600 0.000 2 1592 279 144 ARG HD3 H 2.872 0.000 2 1593 279 144 ARG HE H 7.431 0.001 1 1594 279 144 ARG HG2 H 0.750 0.000 2 1595 279 144 ARG HG3 H 1.438 0.000 2 1596 279 144 ARG HH11 H 6.295 0.000 2 1597 279 144 ARG HH12 H 6.295 0.000 2 1598 279 144 ARG C C 174.793 0.000 1 1599 279 144 ARG CA C 51.767 0.000 1 1600 279 144 ARG CB C 31.232 0.002 1 1601 279 144 ARG CD C 43.266 0.003 1 1602 279 144 ARG CG C 27.230 0.002 1 1603 279 144 ARG CZ C 158.929 0.000 1 1604 279 144 ARG NE N 86.027 0.000 1 1605 279 144 ARG NH1 N 70.142 0.000 2 1606 280 145 SER H H 8.722 0.003 1 1607 280 145 SER HA H 4.496 0.000 1 1608 280 145 SER HB2 H 3.778 0.000 2 1609 280 145 SER HB3 H 4.402 0.000 2 1610 280 145 SER CA C 55.996 0.000 1 1611 280 145 SER CB C 62.891 0.003 1 1612 280 145 SER N N 126.780 0.003 1 1613 281 146 PRO HA H 3.379 0.000 1 1614 281 146 PRO HB2 H 1.712 0.000 2 1615 281 146 PRO HB3 H 1.712 0.000 2 1616 281 146 PRO HD2 H 3.706 0.000 2 1617 281 146 PRO HD3 H 3.802 0.000 2 1618 281 146 PRO HG2 H 1.709 0.000 2 1619 281 146 PRO HG3 H 2.040 0.000 2 1620 281 146 PRO C C 176.433 0.000 1 1621 281 146 PRO CA C 64.415 0.000 1 1622 281 146 PRO CB C 30.710 0.000 1 1623 281 146 PRO CD C 49.923 0.000 1 1624 281 146 PRO CG C 27.499 0.007 1 1625 282 147 SER H H 7.252 0.004 1 1626 282 147 SER HA H 4.381 0.000 1 1627 282 147 SER HB2 H 3.688 0.000 2 1628 282 147 SER HB3 H 3.920 0.000 2 1629 282 147 SER C C 173.929 0.000 1 1630 282 147 SER CA C 57.154 0.000 1 1631 282 147 SER CB C 62.535 0.000 1 1632 282 147 SER N N 109.206 0.009 1 1633 283 148 ASN H H 8.139 0.005 1 1634 283 148 ASN HA H 3.737 0.000 1 1635 283 148 ASN HB2 H 2.271 0.000 2 1636 283 148 ASN HB3 H 3.358 0.000 2 1637 283 148 ASN HD21 H 6.894 0.002 2 1638 283 148 ASN HD22 H 7.571 0.002 2 1639 283 148 ASN C C 173.153 0.000 1 1640 283 148 ASN CA C 54.586 0.000 1 1641 283 148 ASN CB C 38.415 0.010 1 1642 283 148 ASN CG C 177.968 0.014 1 1643 283 148 ASN N N 117.823 0.004 1 1644 283 148 ASN ND2 N 111.834 0.000 1 1645 284 149 SER H H 7.199 0.002 1 1646 284 149 SER HA H 4.509 0.000 1 1647 284 149 SER HB2 H 3.616 0.000 2 1648 284 149 SER HB3 H 3.694 0.000 2 1649 284 149 SER C C 174.279 0.000 1 1650 284 149 SER CA C 57.343 0.000 1 1651 284 149 SER CB C 64.110 0.000 1 1652 284 149 SER N N 111.602 0.001 1 1653 285 150 TYR H H 8.663 0.002 1 1654 285 150 TYR HA H 5.210 0.000 1 1655 285 150 TYR HB2 H 2.479 0.000 2 1656 285 150 TYR HB3 H 2.890 0.000 2 1657 285 150 TYR HD1 H 6.969 0.001 3 1658 285 150 TYR HD2 H 6.969 0.001 3 1659 285 150 TYR HE1 H 6.665 0.002 3 1660 285 150 TYR HE2 H 6.665 0.002 3 1661 285 150 TYR C C 175.286 0.000 1 1662 285 150 TYR CA C 55.813 0.000 1 1663 285 150 TYR CB C 41.306 0.016 1 1664 285 150 TYR CD1 C 132.165 0.000 3 1665 285 150 TYR CD2 C 132.127 0.000 3 1666 285 150 TYR CE1 C 117.987 0.000 3 1667 285 150 TYR CE2 C 118.011 0.000 3 1668 285 150 TYR N N 123.023 0.026 1 1669 286 151 LEU H H 8.642 0.000 1 1670 286 151 LEU HA H 4.690 0.000 1 1671 286 151 LEU HB2 H 1.641 0.000 2 1672 286 151 LEU HB3 H 1.701 0.000 2 1673 286 151 LEU HD1 H 0.823 0.000 . 1674 286 151 LEU HD2 H 0.919 0.000 . 1675 286 151 LEU HG H 1.721 0.000 1 1676 286 151 LEU C C 175.058 0.000 1 1677 286 151 LEU CA C 53.512 0.000 1 1678 286 151 LEU CB C 46.237 0.001 1 1679 286 151 LEU CD1 C 24.347 0.000 2 1680 286 151 LEU CD2 C 24.000 0.000 2 1681 286 151 LEU CG C 26.914 0.000 1 1682 286 151 LEU N N 121.455 0.000 1 1683 287 152 TYR H H 8.614 0.004 1 1684 287 152 TYR HA H 4.630 0.000 1 1685 287 152 TYR HB2 H 2.776 0.000 2 1686 287 152 TYR HB3 H 3.277 0.000 2 1687 287 152 TYR HD1 H 7.298 0.000 3 1688 287 152 TYR HD2 H 7.298 0.000 3 1689 287 152 TYR HE1 H 6.731 0.001 3 1690 287 152 TYR HE2 H 6.731 0.001 3 1691 287 152 TYR C C 172.617 0.000 1 1692 287 152 TYR CA C 58.715 0.000 1 1693 287 152 TYR CB C 41.178 0.011 1 1694 287 152 TYR CD1 C 133.865 0.000 3 1695 287 152 TYR CD2 C 133.852 0.000 3 1696 287 152 TYR CE1 C 117.559 0.000 3 1697 287 152 TYR CE2 C 117.562 0.000 3 1698 287 152 TYR N N 121.282 0.016 1 1699 288 153 ASP H H 9.082 0.002 1 1700 288 153 ASP HA H 5.210 0.000 1 1701 288 153 ASP HB2 H 1.368 0.000 2 1702 288 153 ASP HB3 H 1.650 0.000 2 1703 288 153 ASP C C 178.678 0.000 1 1704 288 153 ASP CA C 53.663 0.000 1 1705 288 153 ASP CB C 41.422 0.019 1 1706 288 153 ASP N N 120.629 0.013 1 1707 289 154 ASN H H 9.454 0.001 1 1708 289 154 ASN HA H 4.561 0.000 1 1709 289 154 ASN HB2 H 2.883 0.000 2 1710 289 154 ASN HB3 H 2.999 0.000 2 1711 289 154 ASN HD21 H 7.029 0.001 2 1712 289 154 ASN HD22 H 7.863 0.002 2 1713 289 154 ASN C C 176.395 0.000 1 1714 289 154 ASN CA C 56.704 0.000 1 1715 289 154 ASN CB C 38.262 0.000 1 1716 289 154 ASN CG C 176.806 0.007 1 1717 289 154 ASN N N 121.029 0.017 1 1718 289 154 ASN ND2 N 113.727 0.001 1 1719 290 155 ASN H H 9.147 0.004 1 1720 290 155 ASN HA H 5.104 0.000 1 1721 290 155 ASN HB2 H 2.696 0.000 2 1722 290 155 ASN HB3 H 3.102 0.000 2 1723 290 155 ASN HD21 H 7.053 0.001 2 1724 290 155 ASN HD22 H 7.956 0.002 2 1725 290 155 ASN C C 174.119 0.000 1 1726 290 155 ASN CA C 52.929 0.000 1 1727 290 155 ASN CB C 39.541 0.002 1 1728 290 155 ASN CG C 177.576 0.010 1 1729 290 155 ASN N N 115.864 0.007 1 1730 290 155 ASN ND2 N 114.281 0.000 1 1731 291 156 LEU H H 7.707 0.004 1 1732 291 156 LEU HA H 4.285 0.000 1 1733 291 156 LEU HB2 H 1.785 0.000 2 1734 291 156 LEU HB3 H 2.102 0.000 2 1735 291 156 LEU HD1 H 0.907 0.000 . 1736 291 156 LEU HD2 H 0.901 0.000 . 1737 291 156 LEU HG H 1.685 0.000 1 1738 291 156 LEU C C 174.754 0.000 1 1739 291 156 LEU CA C 58.549 0.000 1 1740 291 156 LEU CB C 38.208 0.000 1 1741 291 156 LEU CD1 C 25.386 0.000 2 1742 291 156 LEU CD2 C 26.512 0.000 2 1743 291 156 LEU CG C 30.151 0.000 1 1744 291 156 LEU N N 116.249 0.023 1 1745 292 157 ILE H H 7.629 0.002 1 1746 292 157 ILE HA H 3.592 0.000 1 1747 292 157 ILE HB H 1.677 0.000 1 1748 292 157 ILE HD1 H 0.869 0.000 . 1749 292 157 ILE HG12 H 1.241 0.000 2 1750 292 157 ILE HG13 H 1.511 0.000 2 1751 292 157 ILE HG2 H 0.720 0.000 . 1752 292 157 ILE C C 179.275 0.000 1 1753 292 157 ILE CA C 63.427 0.000 1 1754 292 157 ILE CB C 37.725 0.000 1 1755 292 157 ILE CD1 C 10.693 0.000 1 1756 292 157 ILE CG1 C 28.434 0.005 1 1757 292 157 ILE CG2 C 15.868 0.000 1 1758 292 157 ILE N N 119.358 0.009 1 1759 293 158 ASN H H 10.120 0.003 1 1760 293 158 ASN HA H 4.003 0.000 1 1761 293 158 ASN HB2 H 1.921 0.000 2 1762 293 158 ASN HB3 H 2.276 0.000 2 1763 293 158 ASN HD21 H 6.658 0.002 2 1764 293 158 ASN HD22 H 6.739 0.004 2 1765 293 158 ASN C C 177.359 0.000 1 1766 293 158 ASN CA C 59.960 0.000 1 1767 293 158 ASN CB C 39.129 0.001 1 1768 293 158 ASN CG C 178.447 0.003 1 1769 293 158 ASN N N 126.392 0.014 1 1770 293 158 ASN ND2 N 114.036 0.004 1 1771 294 159 THR H H 10.057 0.002 1 1772 294 159 THR HA H 3.869 0.000 1 1773 294 159 THR HB H 3.907 0.000 1 1774 294 159 THR HG1 H 6.354 0.000 1 1775 294 159 THR HG2 H 1.337 0.000 . 1776 294 159 THR C C 176.219 0.000 1 1777 294 159 THR CA C 67.575 0.000 1 1778 294 159 THR CB C 69.976 0.000 1 1779 294 159 THR CG2 C 22.139 0.000 1 1780 294 159 THR N N 120.099 0.016 1 1781 295 160 ASN H H 8.273 0.002 1 1782 295 160 ASN HA H 4.426 0.000 1 1783 295 160 ASN HB2 H 2.854 0.000 2 1784 295 160 ASN HB3 H 2.854 0.000 2 1785 295 160 ASN HD21 H 7.111 0.001 2 1786 295 160 ASN HD22 H 7.348 0.003 2 1787 295 160 ASN C C 177.827 0.000 1 1788 295 160 ASN CA C 55.624 0.000 1 1789 295 160 ASN CB C 36.976 0.000 1 1790 295 160 ASN CG C 175.299 0.005 1 1791 295 160 ASN N N 116.630 0.008 1 1792 295 160 ASN ND2 N 110.773 0.001 1 1793 296 161 CYS H H 7.612 0.006 1 1794 296 161 CYS HA H 4.301 0.000 1 1795 296 161 CYS HB2 H 3.284 0.000 2 1796 296 161 CYS HB3 H 3.333 0.000 2 1797 296 161 CYS C C 176.083 0.000 1 1798 296 161 CYS CA C 59.841 0.000 1 1799 296 161 CYS CB C 38.370 0.003 1 1800 296 161 CYS N N 123.113 0.001 1 1801 297 162 VAL H H 8.958 0.002 1 1802 297 162 VAL HA H 3.059 0.000 1 1803 297 162 VAL HB H 1.907 0.000 1 1804 297 162 VAL HG1 H 0.420 0.000 . 1805 297 162 VAL HG2 H 1.084 0.000 . 1806 297 162 VAL C C 177.257 0.000 1 1807 297 162 VAL CA C 67.251 0.000 1 1808 297 162 VAL CB C 31.730 0.000 1 1809 297 162 VAL CG1 C 21.343 0.000 2 1810 297 162 VAL CG2 C 23.309 0.000 2 1811 297 162 VAL N N 124.487 0.015 1 1812 298 163 LEU H H 8.276 0.003 1 1813 298 163 LEU HA H 4.012 0.000 1 1814 298 163 LEU HB2 H 1.827 0.000 2 1815 298 163 LEU HB3 H 1.827 0.000 2 1816 298 163 LEU HD1 H 0.752 0.000 . 1817 298 163 LEU HD2 H 0.974 0.000 . 1818 298 163 LEU HG H 2.233 0.000 1 1819 298 163 LEU C C 181.494 0.000 1 1820 298 163 LEU CA C 57.948 0.000 1 1821 298 163 LEU CB C 40.593 0.000 1 1822 298 163 LEU CD1 C 26.160 0.000 2 1823 298 163 LEU CD2 C 23.769 0.000 2 1824 298 163 LEU CG C 26.460 0.000 1 1825 298 163 LEU N N 114.605 0.028 1 1826 299 164 THR H H 8.043 0.002 1 1827 299 164 THR HA H 3.906 0.000 1 1828 299 164 THR HB H 4.456 0.000 1 1829 299 164 THR HG1 H 5.396 0.000 1 1830 299 164 THR HG2 H 1.293 0.000 . 1831 299 164 THR C C 177.219 0.000 1 1832 299 164 THR CA C 68.233 0.000 1 1833 299 164 THR CB C 68.532 0.000 1 1834 299 164 THR CG2 C 21.079 0.000 1 1835 299 164 THR N N 116.683 0.004 1 1836 300 165 LYS H H 8.066 0.003 1 1837 300 165 LYS HA H 4.167 0.000 1 1838 300 165 LYS HB2 H 1.652 0.000 2 1839 300 165 LYS HB3 H 1.851 0.000 2 1840 300 165 LYS HD2 H 1.727 0.000 2 1841 300 165 LYS HD3 H 1.727 0.000 2 1842 300 165 LYS HE2 H 2.953 0.000 2 1843 300 165 LYS HE3 H 3.004 0.000 2 1844 300 165 LYS HG2 H 1.545 0.000 2 1845 300 165 LYS HG3 H 1.594 0.000 2 1846 300 165 LYS C C 179.456 0.000 1 1847 300 165 LYS CA C 58.910 0.000 1 1848 300 165 LYS CB C 31.496 0.006 1 1849 300 165 LYS CD C 28.911 0.000 1 1850 300 165 LYS CE C 42.266 0.002 1 1851 300 165 LYS CG C 25.355 0.002 1 1852 300 165 LYS N N 122.599 0.007 1 1853 301 166 PHE H H 7.769 0.000 1 1854 301 166 PHE HA H 5.018 0.000 1 1855 301 166 PHE HB2 H 3.326 0.000 2 1856 301 166 PHE HB3 H 3.807 0.000 2 1857 301 166 PHE HD1 H 7.003 0.001 3 1858 301 166 PHE HD2 H 7.003 0.001 3 1859 301 166 PHE HE1 H 7.149 0.003 3 1860 301 166 PHE HE2 H 7.149 0.003 3 1861 301 166 PHE HZ H 7.389 0.000 1 1862 301 166 PHE C C 176.937 0.000 1 1863 301 166 PHE CA C 53.124 0.000 1 1864 301 166 PHE CB C 38.058 0.013 1 1865 301 166 PHE CD1 C 129.016 0.000 3 1866 301 166 PHE CD2 C 129.048 0.000 3 1867 301 166 PHE CE1 C 131.096 0.000 3 1868 301 166 PHE CE2 C 131.093 0.000 3 1869 301 166 PHE CZ C 129.673 0.000 1 1870 301 166 PHE N N 116.457 0.006 1 1871 302 167 SER H H 7.488 0.003 1 1872 302 167 SER HA H 4.063 0.000 1 1873 302 167 SER HB2 H 4.101 0.000 2 1874 302 167 SER HB3 H 4.174 0.000 2 1875 302 167 SER HG H 5.343 0.000 1 1876 302 167 SER C C 176.776 0.000 1 1877 302 167 SER CA C 62.991 0.000 1 1878 302 167 SER CB C 64.712 0.000 1 1879 302 167 SER N N 115.788 0.010 1 1880 303 168 LEU H H 8.651 0.002 1 1881 303 168 LEU HA H 4.291 0.000 1 1882 303 168 LEU HB2 H 1.637 0.000 2 1883 303 168 LEU HB3 H 1.721 0.000 2 1884 303 168 LEU HD1 H 0.863 0.000 . 1885 303 168 LEU HD2 H 0.957 0.000 . 1886 303 168 LEU HG H 1.742 0.000 1 1887 303 168 LEU C C 176.899 0.000 1 1888 303 168 LEU CA C 54.864 0.000 1 1889 303 168 LEU CB C 41.537 0.001 1 1890 303 168 LEU CD1 C 22.236 0.000 2 1891 303 168 LEU CD2 C 25.210 0.000 2 1892 303 168 LEU CG C 26.743 0.000 1 1893 303 168 LEU N N 118.630 0.007 1 1894 304 169 LEU H H 7.615 0.002 1 1895 304 169 LEU HA H 4.305 0.000 1 1896 304 169 LEU HB2 H 0.447 0.000 2 1897 304 169 LEU HB3 H 0.895 0.000 2 1898 304 169 LEU HD1 H 0.435 0.000 . 1899 304 169 LEU HD2 H 0.630 0.000 . 1900 304 169 LEU HG H 1.397 0.000 1 1901 304 169 LEU C C 175.849 0.000 1 1902 304 169 LEU CA C 54.177 0.000 1 1903 304 169 LEU CB C 40.111 0.002 1 1904 304 169 LEU CD1 C 26.198 0.000 2 1905 304 169 LEU CD2 C 21.421 0.000 2 1906 304 169 LEU CG C 26.286 0.000 1 1907 304 169 LEU N N 120.385 0.008 1 1908 305 170 SER H H 8.830 0.002 1 1909 305 170 SER HA H 4.582 0.000 1 1910 305 170 SER HB2 H 3.631 0.000 2 1911 305 170 SER HB3 H 3.725 0.000 2 1912 305 170 SER C C 172.917 0.000 1 1913 305 170 SER CA C 58.250 0.000 1 1914 305 170 SER CB C 65.275 0.000 1 1915 305 170 SER N N 112.153 0.002 1 1916 306 171 GLY H H 9.138 0.004 1 1917 306 171 GLY HA2 H 3.941 0.000 . 1918 306 171 GLY HA3 H 4.496 0.000 2 1919 306 171 GLY C C 172.989 0.000 1 1920 306 171 GLY CA C 44.971 0.010 1 1921 306 171 GLY N N 109.933 0.005 1 1922 307 172 CYS H H 8.469 0.001 1 1923 307 172 CYS HA H 4.266 0.000 1 1924 307 172 CYS HB2 H 2.900 0.000 2 1925 307 172 CYS HB3 H 3.663 0.000 2 1926 307 172 CYS C C 172.822 0.000 1 1927 307 172 CYS CA C 57.500 0.000 1 1928 307 172 CYS CB C 43.933 0.000 1 1929 307 172 CYS N N 113.750 0.020 1 1930 308 173 SER H H 7.732 0.003 1 1931 308 173 SER HA H 4.613 0.000 1 1932 308 173 SER HB2 H 3.842 0.000 2 1933 308 173 SER HB3 H 3.842 0.000 2 1934 308 173 SER CA C 55.271 0.000 1 1935 308 173 SER CB C 64.900 0.000 1 1936 308 173 SER N N 114.035 0.024 1 1937 309 174 PRO HA H 4.816 0.000 1 1938 309 174 PRO HB2 H 2.213 0.000 2 1939 309 174 PRO HB3 H 2.486 0.000 2 1940 309 174 PRO HD2 H 3.574 0.000 2 1941 309 174 PRO HD3 H 3.678 0.000 2 1942 309 174 PRO HG2 H 1.977 0.000 2 1943 309 174 PRO HG3 H 2.098 0.000 2 1944 309 174 PRO C C 175.920 0.000 1 1945 309 174 PRO CA C 62.271 0.000 1 1946 309 174 PRO CB C 34.632 0.000 1 1947 309 174 PRO CD C 51.130 0.000 1 1948 309 174 PRO CG C 24.980 0.003 1 1949 310 175 SER H H 8.509 0.002 1 1950 310 175 SER HA H 4.514 0.000 1 1951 310 175 SER HB2 H 3.835 0.000 2 1952 310 175 SER HB3 H 3.835 0.000 2 1953 310 175 SER CA C 55.599 0.000 1 1954 310 175 SER CB C 64.665 0.000 1 1955 310 175 SER N N 117.276 0.008 1 1956 311 176 PRO HA H 4.729 0.000 1 1957 311 176 PRO HB2 H 2.290 0.000 2 1958 311 176 PRO HB3 H 2.628 0.000 2 1959 311 176 PRO HD2 H 3.677 0.000 2 1960 311 176 PRO HD3 H 3.677 0.000 2 1961 311 176 PRO HG2 H 1.947 0.000 2 1962 311 176 PRO HG3 H 2.053 0.000 2 1963 311 176 PRO C C 175.290 0.000 1 1964 311 176 PRO CA C 63.079 0.000 1 1965 311 176 PRO CB C 34.912 0.001 1 1966 311 176 PRO CD C 50.543 0.000 1 1967 311 176 PRO CG C 25.496 0.003 1 1968 312 177 ALA H H 8.873 0.002 1 1969 312 177 ALA HA H 4.467 0.000 1 1970 312 177 ALA HB H 1.418 0.000 . 1971 312 177 ALA CA C 50.946 0.000 1 1972 312 177 ALA CB C 19.865 0.000 1 1973 312 177 ALA N N 122.667 0.005 1 1974 313 178 PRO HA H 4.458 0.000 1 1975 313 178 PRO HB2 H 1.919 0.000 2 1976 313 178 PRO HB3 H 2.536 0.000 2 1977 313 178 PRO HD2 H 3.471 0.000 2 1978 313 178 PRO HD3 H 3.624 0.000 2 1979 313 178 PRO HG2 H 2.197 0.000 2 1980 313 178 PRO HG3 H 2.197 0.000 2 1981 313 178 PRO C C 174.919 0.000 1 1982 313 178 PRO CA C 62.970 0.000 1 1983 313 178 PRO CB C 32.508 0.002 1 1984 313 178 PRO CD C 50.269 0.000 1 1985 313 178 PRO CG C 27.925 0.000 1 1986 314 179 ASP H H 8.265 0.002 1 1987 314 179 ASP HA H 4.580 0.000 1 1988 314 179 ASP HB2 H 2.759 0.000 2 1989 314 179 ASP HB3 H 2.935 0.000 2 1990 314 179 ASP C C 178.043 0.000 1 1991 314 179 ASP CA C 55.391 0.000 1 1992 314 179 ASP CB C 42.207 0.005 1 1993 314 179 ASP N N 119.909 0.011 1 1994 315 180 VAL H H 8.851 0.000 1 1995 315 180 VAL HA H 4.619 0.000 1 1996 315 180 VAL HB H 2.521 0.000 1 1997 315 180 VAL HG1 H 0.844 0.000 . 1998 315 180 VAL HG2 H 1.000 0.000 . 1999 315 180 VAL C C 178.085 0.000 1 2000 315 180 VAL CA C 60.692 0.000 1 2001 315 180 VAL CB C 31.738 0.000 1 2002 315 180 VAL CG1 C 22.716 0.000 2 2003 315 180 VAL CG2 C 18.012 0.000 2 2004 315 180 VAL N N 118.757 0.038 1 2005 316 181 SER H H 9.029 0.002 1 2006 316 181 SER HA H 4.247 0.000 1 2007 316 181 SER HB2 H 4.077 0.000 2 2008 316 181 SER HB3 H 4.139 0.000 2 2009 316 181 SER C C 175.075 0.000 1 2010 316 181 SER CA C 62.045 0.000 1 2011 316 181 SER CB C 62.784 0.000 1 2012 316 181 SER N N 122.249 0.011 1 2013 317 182 SER H H 8.143 0.001 1 2014 317 182 SER HA H 4.408 0.000 1 2015 317 182 SER HB2 H 3.880 0.000 2 2016 317 182 SER HB3 H 4.015 0.000 2 2017 317 182 SER C C 175.656 0.000 1 2018 317 182 SER CA C 59.117 0.000 1 2019 317 182 SER CB C 62.960 0.000 1 2020 317 182 SER N N 114.397 0.008 1 2021 318 183 CYS H H 7.779 0.002 1 2022 318 183 CYS HA H 4.638 0.000 1 2023 318 183 CYS HB2 H 2.903 0.000 2 2024 318 183 CYS HB3 H 3.113 0.000 2 2025 318 183 CYS C C 174.560 0.000 1 2026 318 183 CYS CA C 54.330 0.000 1 2027 318 183 CYS CB C 38.241 0.003 1 2028 318 183 CYS N N 121.543 0.010 1 2029 319 184 GLY H H 8.527 0.002 1 2030 319 184 GLY HA2 H 3.776 0.000 . 2031 319 184 GLY HA3 H 4.322 0.000 2 2032 319 184 GLY C C 170.698 0.000 1 2033 319 184 GLY CA C 44.032 0.005 1 2034 319 184 GLY N N 111.673 0.001 1 2035 320 185 PHE H H 7.712 0.001 1 2036 320 185 PHE HA H 4.413 0.000 1 2037 320 185 PHE HB2 H 2.749 0.000 2 2038 320 185 PHE HB3 H 3.425 0.000 2 2039 320 185 PHE HD1 H 7.476 0.001 3 2040 320 185 PHE HD2 H 7.476 0.001 3 2041 320 185 PHE HE1 H 7.266 0.002 3 2042 320 185 PHE HE2 H 7.266 0.002 3 2043 320 185 PHE HZ H 7.282 0.000 1 2044 320 185 PHE CA C 60.012 0.000 1 2045 320 185 PHE CB C 44.182 0.029 1 2046 320 185 PHE CD1 C 132.637 0.000 3 2047 320 185 PHE CD2 C 132.637 0.000 3 2048 320 185 PHE CE1 C 131.869 0.000 3 2049 320 185 PHE CE2 C 131.265 0.000 3 2050 320 185 PHE CZ C 129.412 0.000 1 2051 320 185 PHE N N 120.069 0.008 1 stop_ save_