data_27413 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C backbone resonance assignment of human alkbh5 ; _BMRB_accession_number 27413 _BMRB_flat_file_name bmr27413.str _Entry_type original _Submission_date 2018-03-02 _Accession_date 2018-03-02 _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 Purslow Jeffrey A. . 2 Venditti Vincenzo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 195 "13C chemical shifts" 609 "15N chemical shifts" 195 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-11-14 update BMRB 'update entry citation' 2018-06-20 original author 'original release' stop_ _Original_release_date 2018-03-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N, 13C backbone resonance assignment of human Alkbh5 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29858729 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Purslow Jeffrey A. . 2 Venditti Vincenzo . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 12 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 297 _Page_last 301 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Alkbh5 66-292' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Alkbh5 66-292, chain 1' $Alkbh5_Residues_66-292 'Alkbh5 66-292, chain 2' $Alkbh5_Residues_66-292 stop_ _System_molecular_weight 26375 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Selectively catalyzes the oxidative demethylation of the internal mRNA modification N6-methyladenosine' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Alkbh5_Residues_66-292 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Alkbh5_Residues_66-292 _Molecular_mass . _Mol_thiol_state 'not reported' loop_ _Biological_function 'Selectively catalyzes the oxidative demethylation of the internal mRNA modification N6-methyladenosine' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 230 _Mol_residue_sequence ; SHMPERSDYEEQQLQKEEEA RKVKSGIRQMRLFSQDECAK IEARIDEVVSRAEKGLYNEH TVDRAPLRNKYFFGEGYTYG AQLQKRGPGQERLYPPGDVD EIPEWVHQLVIQKLVEHRVI PEGFVNSAVINDYQPGGCIV SHVDPIHIFERPIVSVSFFS DSALCFGCKFQFKPIRVSEP VLSLPVRRGSVTVLSGYAAD EITHCIRPQDIKERRAVIIL RKTRLDAPRL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 HIS 3 3 MET 4 66 PRO 5 67 GLU 6 68 ARG 7 69 SER 8 70 ASP 9 71 TYR 10 72 GLU 11 73 GLU 12 74 GLN 13 75 GLN 14 76 LEU 15 77 GLN 16 78 LYS 17 79 GLU 18 80 GLU 19 81 GLU 20 82 ALA 21 83 ARG 22 84 LYS 23 85 VAL 24 86 LYS 25 87 SER 26 88 GLY 27 89 ILE 28 90 ARG 29 91 GLN 30 92 MET 31 93 ARG 32 94 LEU 33 95 PHE 34 96 SER 35 97 GLN 36 98 ASP 37 99 GLU 38 100 CYS 39 101 ALA 40 102 LYS 41 103 ILE 42 104 GLU 43 105 ALA 44 106 ARG 45 107 ILE 46 108 ASP 47 109 GLU 48 110 VAL 49 111 VAL 50 112 SER 51 113 ARG 52 114 ALA 53 115 GLU 54 116 LYS 55 117 GLY 56 118 LEU 57 119 TYR 58 120 ASN 59 121 GLU 60 122 HIS 61 123 THR 62 124 VAL 63 125 ASP 64 126 ARG 65 127 ALA 66 128 PRO 67 129 LEU 68 130 ARG 69 131 ASN 70 132 LYS 71 133 TYR 72 134 PHE 73 135 PHE 74 136 GLY 75 137 GLU 76 138 GLY 77 139 TYR 78 140 THR 79 141 TYR 80 142 GLY 81 143 ALA 82 144 GLN 83 145 LEU 84 146 GLN 85 147 LYS 86 148 ARG 87 149 GLY 88 150 PRO 89 151 GLY 90 152 GLN 91 153 GLU 92 154 ARG 93 155 LEU 94 156 TYR 95 157 PRO 96 158 PRO 97 159 GLY 98 160 ASP 99 161 VAL 100 162 ASP 101 163 GLU 102 164 ILE 103 165 PRO 104 166 GLU 105 167 TRP 106 168 VAL 107 169 HIS 108 170 GLN 109 171 LEU 110 172 VAL 111 173 ILE 112 174 GLN 113 175 LYS 114 176 LEU 115 177 VAL 116 178 GLU 117 179 HIS 118 180 ARG 119 181 VAL 120 182 ILE 121 183 PRO 122 184 GLU 123 185 GLY 124 186 PHE 125 187 VAL 126 188 ASN 127 189 SER 128 190 ALA 129 191 VAL 130 192 ILE 131 193 ASN 132 194 ASP 133 195 TYR 134 196 GLN 135 197 PRO 136 198 GLY 137 199 GLY 138 200 CYS 139 201 ILE 140 202 VAL 141 203 SER 142 204 HIS 143 205 VAL 144 206 ASP 145 207 PRO 146 208 ILE 147 209 HIS 148 210 ILE 149 211 PHE 150 212 GLU 151 213 ARG 152 214 PRO 153 215 ILE 154 216 VAL 155 217 SER 156 218 VAL 157 219 SER 158 220 PHE 159 221 PHE 160 222 SER 161 223 ASP 162 224 SER 163 225 ALA 164 226 LEU 165 227 CYS 166 228 PHE 167 229 GLY 168 230 CYS 169 231 LYS 170 232 PHE 171 233 GLN 172 234 PHE 173 235 LYS 174 236 PRO 175 237 ILE 176 238 ARG 177 239 VAL 178 240 SER 179 241 GLU 180 242 PRO 181 243 VAL 182 244 LEU 183 245 SER 184 246 LEU 185 247 PRO 186 248 VAL 187 249 ARG 188 250 ARG 189 251 GLY 190 252 SER 191 253 VAL 192 254 THR 193 255 VAL 194 256 LEU 195 257 SER 196 258 GLY 197 259 TYR 198 260 ALA 199 261 ALA 200 262 ASP 201 263 GLU 202 264 ILE 203 265 THR 204 266 HIS 205 267 CYS 206 268 ILE 207 269 ARG 208 270 PRO 209 271 GLN 210 272 ASP 211 273 ILE 212 274 LYS 213 275 GLU 214 276 ARG 215 277 ARG 216 278 ALA 217 279 VAL 218 280 ILE 219 281 ILE 220 282 LEU 221 283 ARG 222 284 LYS 223 285 THR 224 286 ARG 225 287 LEU 226 288 ASP 227 289 ALA 228 290 PRO 229 291 ARG 230 292 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Alkbh5_Residues_66-292 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $Alkbh5_Residues_66-292 'recombinant technology' . Escherichia coli . 'Modified pET21a' 'Incorporated a HIS-Tag, N-terminal domain from the enzyme, EIN, and a TEV recognition cleavage site.' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Alkbh5_Residues_66-292 0.45 mM 0.3 0.6 '[U-13C; U-15N; U-2H]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 150 . mM pH 7.4 . pH pressure 1 . atm temperature 273 . 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 glucose C 13 'methyl carbons' ppm 0 na indirect . . . 0.251449530 water H 1 'methyl protons' ppm 0 internal direct . . . 1.00000000 '[15N] ammonium chloride' N 15 nitrogen ppm 0 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HN(COCA)CB' '3D HNCACB' 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 'Alkbh5 66-292, chain 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 66 4 PRO C C 175.969 0.00 1 2 66 4 PRO CA C 62.270 0.00 1 3 66 4 PRO CB C 33.384 0.00 1 4 67 5 GLU H H 8.571 0.00 1 5 67 5 GLU C C 177.683 0.00 1 6 67 5 GLU CA C 56.863 0.07 1 7 67 5 GLU CB C 29.928 0.66 1 8 67 5 GLU N N 122.285 0.01 1 9 68 6 ARG H H 8.723 0.00 1 10 68 6 ARG C C 176.512 0.00 1 11 68 6 ARG CA C 54.270 0.00 1 12 68 6 ARG CB C 29.691 0.01 1 13 68 6 ARG N N 123.324 0.02 1 14 69 7 SER H H 8.473 0.00 1 15 69 7 SER C C 175.810 0.00 1 16 69 7 SER CA C 59.368 0.78 1 17 69 7 SER CB C 69.544 0.00 1 18 69 7 SER N N 117.974 0.03 1 19 70 8 ASP H H 7.544 0.01 1 20 70 8 ASP C C 176.690 0.00 1 21 70 8 ASP CA C 54.893 0.08 1 22 70 8 ASP CB C 40.016 0.00 1 23 70 8 ASP N N 122.388 0.03 1 24 71 9 TYR H H 7.984 0.00 1 25 71 9 TYR C C 176.770 0.00 1 26 71 9 TYR CA C 59.162 0.01 1 27 71 9 TYR CB C 37.695 0.00 1 28 71 9 TYR N N 120.687 0.02 1 29 72 10 GLU H H 8.070 0.00 1 30 72 10 GLU C C 177.874 0.00 1 31 72 10 GLU CA C 57.474 0.02 1 32 72 10 GLU CB C 29.228 0.00 1 33 72 10 GLU N N 121.819 0.06 1 34 73 11 GLU H H 8.242 0.00 1 35 73 11 GLU C C 178.147 0.00 1 36 73 11 GLU CA C 57.695 0.01 1 37 73 11 GLU CB C 28.644 0.00 1 38 73 11 GLU N N 121.800 0.01 1 39 74 12 GLN H H 8.149 0.00 1 40 74 12 GLN C C 178.404 0.00 1 41 74 12 GLN CA C 57.680 0.04 1 42 74 12 GLN CB C 27.435 0.00 1 43 74 12 GLN N N 121.524 0.02 1 44 75 13 GLN H H 8.004 0.00 1 45 75 13 GLN C C 178.301 0.00 1 46 75 13 GLN CA C 57.593 0.11 1 47 75 13 GLN CB C 27.341 0.00 1 48 75 13 GLN N N 120.657 0.02 1 49 76 14 LEU H H 8.108 0.00 1 50 76 14 LEU C C 179.573 0.00 1 51 76 14 LEU CA C 57.025 0.00 1 52 76 14 LEU CB C 40.651 0.02 1 53 76 14 LEU N N 121.080 0.03 1 54 77 15 GLN H H 7.994 0.00 1 55 77 15 GLN C C 178.631 0.00 1 56 77 15 GLN CA C 57.900 0.00 1 57 77 15 GLN CB C 27.138 0.00 1 58 77 15 GLN N N 120.042 0.02 1 59 78 16 LYS H H 7.884 0.00 1 60 78 16 LYS C C 178.515 0.00 1 61 78 16 LYS CA C 58.966 0.01 1 62 78 16 LYS CB C 31.223 0.01 1 63 78 16 LYS N N 122.105 0.00 1 64 79 17 GLU H H 7.998 0.00 1 65 79 17 GLU C C 179.256 0.00 1 66 79 17 GLU CA C 58.541 0.02 1 67 79 17 GLU CB C 28.227 0.02 1 68 79 17 GLU N N 119.765 0.01 1 69 80 18 GLU H H 7.905 0.00 1 70 80 18 GLU C C 178.719 0.00 1 71 80 18 GLU CA C 58.287 0.04 1 72 80 18 GLU CB C 28.093 0.05 1 73 80 18 GLU N N 120.739 0.02 1 74 81 19 GLU H H 8.035 0.00 1 75 81 19 GLU C C 178.436 0.00 1 76 81 19 GLU CA C 59.214 0.00 1 77 81 19 GLU CB C 27.914 0.03 1 78 81 19 GLU N N 121.423 0.02 1 79 82 20 ALA H H 8.332 0.00 1 80 82 20 ALA C C 179.338 0.00 1 81 82 20 ALA CA C 55.227 0.01 1 82 82 20 ALA CB C 16.869 0.00 1 83 82 20 ALA N N 121.119 0.01 1 84 83 21 ARG H H 7.556 0.00 1 85 83 21 ARG C C 179.575 0.00 1 86 83 21 ARG CA C 59.438 0.01 1 87 83 21 ARG CB C 28.938 0.00 1 88 83 21 ARG N N 117.701 0.02 1 89 84 22 LYS H H 7.391 0.00 1 90 84 22 LYS C C 180.070 0.00 1 91 84 22 LYS CA C 59.159 0.03 1 92 84 22 LYS CB C 29.855 0.00 1 93 84 22 LYS N N 120.890 0.02 1 94 85 23 VAL H H 8.028 0.00 1 95 85 23 VAL C C 177.744 0.00 1 96 85 23 VAL CA C 66.600 0.01 1 97 85 23 VAL CB C 30.326 0.04 1 98 85 23 VAL N N 120.826 0.00 1 99 86 24 LYS H H 8.020 0.00 1 100 86 24 LYS C C 178.757 0.00 1 101 86 24 LYS CA C 59.395 0.01 1 102 86 24 LYS CB C 31.118 0.07 1 103 86 24 LYS N N 117.398 0.02 1 104 87 25 SER H H 7.327 0.00 1 105 87 25 SER C C 174.809 0.00 1 106 87 25 SER CA C 60.639 0.01 1 107 87 25 SER CB C 62.754 0.01 1 108 87 25 SER N N 113.344 0.01 1 109 88 26 GLY H H 7.759 0.00 1 110 88 26 GLY C C 171.979 0.00 1 111 88 26 GLY CA C 44.644 0.07 1 112 88 26 GLY N N 110.754 0.01 1 113 89 27 ILE H H 7.063 0.00 1 114 89 27 ILE C C 176.068 0.00 1 115 89 27 ILE CA C 59.725 0.00 1 116 89 27 ILE CB C 40.016 0.00 1 117 89 27 ILE N N 118.977 0.01 1 118 90 28 ARG H H 8.295 0.00 1 119 90 28 ARG C C 176.387 0.00 1 120 90 28 ARG CA C 54.049 0.33 1 121 90 28 ARG CB C 32.038 0.42 1 122 90 28 ARG N N 126.778 0.01 1 123 91 29 GLN H H 7.951 0.01 1 124 91 29 GLN C C 175.162 0.00 1 125 91 29 GLN CA C 55.464 1.38 1 126 91 29 GLN CB C 37.974 4.69 1 127 91 29 GLN N N 128.741 0.01 1 128 92 30 MET H H 8.619 0.00 1 129 92 30 MET C C 176.386 0.00 1 130 92 30 MET CA C 54.263 0.09 1 131 92 30 MET CB C 35.377 0.00 1 132 92 30 MET N N 120.761 0.02 1 133 93 31 ARG H H 8.260 0.01 1 134 93 31 ARG C C 175.904 0.00 1 135 93 31 ARG CA C 56.466 0.04 1 136 93 31 ARG CB C 27.298 0.00 1 137 93 31 ARG N N 121.999 0.02 1 138 94 32 LEU H H 7.695 0.01 1 139 94 32 LEU C C 177.385 0.00 1 140 94 32 LEU CA C 54.112 0.26 1 141 94 32 LEU CB C 41.635 0.92 1 142 94 32 LEU N N 117.800 0.02 1 143 95 33 PHE H H 7.623 0.00 1 144 95 33 PHE CA C 57.240 0.00 1 145 95 33 PHE N N 118.841 0.02 1 146 97 35 GLN C C 178.108 0.00 1 147 97 35 GLN CA C 60.434 0.00 1 148 97 35 GLN CB C 26.981 0.00 1 149 98 36 ASP H H 8.362 0.00 1 150 98 36 ASP C C 179.245 0.00 1 151 98 36 ASP CA C 56.847 0.01 1 152 98 36 ASP CB C 40.126 0.06 1 153 98 36 ASP N N 118.800 0.02 1 154 99 37 GLU H H 7.722 0.00 1 155 99 37 GLU C C 180.872 0.00 1 156 99 37 GLU CA C 58.805 0.00 1 157 99 37 GLU CB C 29.320 0.01 1 158 99 37 GLU N N 120.780 0.02 1 159 100 38 CYS H H 8.894 0.00 1 160 100 38 CYS C C 175.621 0.00 1 161 100 38 CYS CA C 64.099 0.00 1 162 100 38 CYS CB C 25.370 0.02 1 163 100 38 CYS N N 118.055 0.01 1 164 101 39 ALA H H 7.950 0.00 1 165 101 39 ALA C C 180.700 0.00 1 166 101 39 ALA CA C 54.617 0.01 1 167 101 39 ALA CB C 16.696 0.00 1 168 101 39 ALA N N 121.670 0.01 1 169 102 40 LYS H H 7.226 0.00 1 170 102 40 LYS C C 178.838 0.00 1 171 102 40 LYS CA C 58.655 0.00 1 172 102 40 LYS CB C 31.098 0.00 1 173 102 40 LYS N N 118.852 0.00 1 174 103 41 ILE H H 7.369 0.00 1 175 103 41 ILE C C 177.294 0.00 1 176 103 41 ILE CA C 64.733 0.00 1 177 103 41 ILE CB C 37.015 0.02 1 178 103 41 ILE N N 121.675 0.01 1 179 104 42 GLU H H 8.612 0.00 1 180 104 42 GLU C C 177.633 0.00 1 181 104 42 GLU CA C 58.486 0.06 1 182 104 42 GLU CB C 27.271 0.05 1 183 104 42 GLU N N 120.885 0.03 1 184 105 43 ALA H H 7.091 0.00 1 185 105 43 ALA C C 181.087 0.00 1 186 105 43 ALA CA C 54.318 0.00 1 187 105 43 ALA CB C 16.534 0.04 1 188 105 43 ALA N N 119.696 0.02 1 189 106 44 ARG H H 6.753 0.00 1 190 106 44 ARG C C 178.796 0.00 1 191 106 44 ARG CA C 56.100 0.01 1 192 106 44 ARG CB C 24.915 0.00 1 193 106 44 ARG N N 118.332 0.01 1 194 107 45 ILE H H 7.979 0.00 1 195 107 45 ILE C C 177.694 0.00 1 196 107 45 ILE CA C 66.237 0.06 1 197 107 45 ILE CB C 38.462 2.28 1 198 107 45 ILE N N 122.115 0.02 1 199 108 46 ASP H H 7.968 0.00 1 200 108 46 ASP C C 179.148 0.00 1 201 108 46 ASP CA C 57.409 0.01 1 202 108 46 ASP CB C 38.941 0.01 1 203 108 46 ASP N N 119.438 0.01 1 204 109 47 GLU H H 7.350 0.00 1 205 109 47 GLU C C 178.741 0.00 1 206 109 47 GLU CA C 58.883 0.00 1 207 109 47 GLU CB C 28.245 0.00 1 208 109 47 GLU N N 123.143 0.00 1 209 110 48 VAL H H 7.673 0.00 1 210 110 48 VAL C C 177.757 0.00 1 211 110 48 VAL CA C 65.421 0.00 1 212 110 48 VAL CB C 30.531 0.01 1 213 110 48 VAL N N 124.280 0.00 1 214 111 49 VAL H H 7.884 0.00 1 215 111 49 VAL C C 179.448 0.00 1 216 111 49 VAL CA C 66.091 0.00 1 217 111 49 VAL CB C 30.858 0.05 1 218 111 49 VAL N N 119.558 0.01 1 219 112 50 SER H H 7.887 0.00 1 220 112 50 SER C C 177.124 0.00 1 221 112 50 SER CA C 60.739 0.00 1 222 112 50 SER CB C 62.398 0.01 1 223 112 50 SER N N 114.449 0.01 1 224 113 51 ARG H H 8.391 0.00 1 225 113 51 ARG C C 178.620 0.00 1 226 113 51 ARG CA C 59.801 0.05 1 227 113 51 ARG CB C 28.656 0.00 1 228 113 51 ARG N N 123.102 0.01 1 229 114 52 ALA H H 8.599 0.00 1 230 114 52 ALA C C 170.792 0.00 1 231 114 52 ALA CA C 53.686 0.00 1 232 114 52 ALA CB C 19.019 0.02 1 233 114 52 ALA N N 121.223 0.00 1 234 115 53 GLU H H 8.091 0.00 1 235 115 53 GLU C C 178.257 0.00 1 236 115 53 GLU CA C 58.210 0.08 1 237 115 53 GLU CB C 28.494 0.14 1 238 115 53 GLU N N 121.138 0.04 1 239 116 54 LYS H H 7.383 0.00 1 240 116 54 LYS C C 176.716 0.00 1 241 116 54 LYS CA C 56.022 0.00 1 242 116 54 LYS CB C 32.180 0.01 1 243 116 54 LYS N N 117.706 0.02 1 244 117 55 GLY H H 7.722 0.00 1 245 117 55 GLY C C 175.946 0.00 1 246 117 55 GLY CA C 46.086 0.10 1 247 117 55 GLY N N 108.006 0.01 1 248 118 56 LEU H H 7.030 0.00 1 249 118 56 LEU C C 176.961 0.00 1 250 118 56 LEU CA C 54.612 0.00 1 251 118 56 LEU CB C 40.449 0.00 1 252 118 56 LEU N N 116.854 0.01 1 253 119 57 TYR H H 7.981 0.00 1 254 119 57 TYR C C 175.990 0.00 1 255 119 57 TYR CA C 55.912 0.01 1 256 119 57 TYR CB C 39.794 0.01 1 257 119 57 TYR N N 118.968 0.00 1 258 120 58 ASN H H 9.760 0.00 1 259 120 58 ASN C C 177.190 0.00 1 260 120 58 ASN CA C 52.805 0.00 1 261 120 58 ASN CB C 37.139 0.00 1 262 120 58 ASN N N 121.184 0.02 1 263 121 59 GLU H H 8.593 0.00 1 264 121 59 GLU CA C 59.346 0.00 1 265 121 59 GLU CB C 28.616 0.00 1 266 121 59 GLU N N 122.777 0.02 1 267 122 60 HIS C C 174.603 0.00 1 268 122 60 HIS CA C 55.288 0.00 1 269 122 60 HIS CB C 27.020 0.00 1 270 123 61 THR H H 7.408 0.00 1 271 123 61 THR C C 172.675 0.00 1 272 123 61 THR CA C 64.415 0.00 1 273 123 61 THR CB C 69.173 0.01 1 274 123 61 THR N N 117.541 0.02 1 275 124 62 VAL H H 6.808 0.00 1 276 124 62 VAL C C 174.612 0.00 1 277 124 62 VAL CA C 60.829 0.01 1 278 124 62 VAL CB C 33.130 0.03 1 279 124 62 VAL N N 116.625 0.00 1 280 125 63 ASP H H 8.926 0.00 1 281 125 63 ASP C C 176.103 0.00 1 282 125 63 ASP CA C 53.338 0.61 1 283 125 63 ASP CB C 41.961 1.60 1 284 125 63 ASP N N 129.322 0.01 1 285 126 64 ARG H H 8.112 0.00 1 286 126 64 ARG C C 175.144 0.00 1 287 126 64 ARG CA C 55.840 0.47 1 288 126 64 ARG CB C 29.996 0.59 1 289 126 64 ARG N N 122.092 0.02 1 290 127 65 ALA H H 8.196 0.00 1 291 127 65 ALA CA C 49.931 0.00 1 292 127 65 ALA CB C 18.867 0.00 1 293 127 65 ALA N N 127.878 0.01 1 294 128 66 PRO C C 177.481 0.00 1 295 128 66 PRO CA C 64.366 0.00 1 296 128 66 PRO CB C 31.194 0.00 1 297 129 67 LEU H H 8.228 0.00 1 298 129 67 LEU C C 174.846 0.00 1 299 129 67 LEU CA C 52.638 0.09 1 300 129 67 LEU CB C 43.548 0.00 1 301 129 67 LEU N N 119.041 0.00 1 302 130 68 ARG H H 8.346 0.00 1 303 130 68 ARG C C 173.560 0.00 1 304 130 68 ARG CA C 55.338 0.03 1 305 130 68 ARG CB C 30.666 0.08 1 306 130 68 ARG N N 125.545 0.00 1 307 131 69 ASN H H 8.313 0.01 1 308 131 69 ASN C C 172.925 0.00 1 309 131 69 ASN CA C 51.029 0.04 1 310 131 69 ASN CB C 41.187 0.00 1 311 131 69 ASN N N 123.876 0.03 1 312 132 70 LYS H H 8.376 0.00 1 313 132 70 LYS C C 173.137 0.00 1 314 132 70 LYS CA C 53.873 0.01 1 315 132 70 LYS CB C 35.242 0.01 1 316 132 70 LYS N N 122.357 0.01 1 317 133 71 TYR H H 8.418 0.00 1 318 133 71 TYR C C 174.107 0.00 1 319 133 71 TYR CA C 54.508 0.00 1 320 133 71 TYR CB C 38.945 0.05 1 321 133 71 TYR N N 121.620 0.01 1 322 134 72 PHE H H 9.563 0.01 1 323 134 72 PHE C C 172.454 0.00 1 324 134 72 PHE CA C 57.090 0.01 1 325 134 72 PHE CB C 41.196 0.05 1 326 134 72 PHE N N 123.364 0.02 1 327 135 73 PHE H H 8.325 0.00 1 328 135 73 PHE CA C 54.789 0.00 1 329 135 73 PHE CB C 41.436 0.00 1 330 135 73 PHE N N 113.091 0.02 1 331 136 74 GLY C C 174.646 0.00 1 332 136 74 GLY CA C 44.777 0.00 1 333 137 75 GLU H H 8.093 0.00 1 334 137 75 GLU C C 176.008 0.00 1 335 137 75 GLU CA C 55.212 0.01 1 336 137 75 GLU CB C 28.371 0.00 1 337 137 75 GLU N N 118.500 0.01 1 338 138 76 GLY H H 7.747 0.01 1 339 138 76 GLY CA C 43.889 0.00 1 340 138 76 GLY N N 110.115 0.02 1 341 140 78 THR C C 172.774 0.00 1 342 140 78 THR CA C 60.870 0.00 1 343 140 78 THR CB C 69.437 0.00 1 344 141 79 TYR H H 7.503 0.00 1 345 141 79 TYR C C 175.967 0.00 1 346 141 79 TYR CA C 58.133 0.68 1 347 141 79 TYR CB C 38.316 0.00 1 348 141 79 TYR N N 127.696 0.05 1 349 142 80 GLY H H 8.357 0.01 1 350 142 80 GLY C C 173.781 0.00 1 351 142 80 GLY CA C 44.655 0.10 1 352 142 80 GLY N N 109.398 0.00 1 353 143 81 ALA H H 8.104 0.00 1 354 143 81 ALA N N 121.306 0.02 1 355 144 82 GLN C C 178.030 0.00 1 356 144 82 GLN CA C 57.441 0.00 1 357 144 82 GLN CB C 27.265 0.00 1 358 145 83 LEU H H 7.895 0.00 1 359 145 83 LEU C C 174.747 0.00 1 360 145 83 LEU CA C 56.035 1.05 1 361 145 83 LEU CB C 41.706 1.13 1 362 145 83 LEU N N 121.701 0.02 1 363 146 84 GLN H H 8.629 0.00 1 364 146 84 GLN C C 177.504 0.00 1 365 146 84 GLN CA C 56.118 0.86 1 366 146 84 GLN CB C 29.333 0.00 1 367 146 84 GLN N N 118.921 0.01 1 368 147 85 LYS H H 7.782 0.00 1 369 147 85 LYS C C 178.543 0.00 1 370 147 85 LYS CA C 57.584 0.00 1 371 147 85 LYS CB C 31.547 0.10 1 372 147 85 LYS N N 121.345 0.04 1 373 148 86 ARG H H 8.144 0.00 1 374 148 86 ARG C C 177.119 0.00 1 375 148 86 ARG CA C 56.303 0.00 1 376 148 86 ARG N N 121.837 0.04 1 377 149 87 GLY H H 8.455 0.01 1 378 149 87 GLY N N 110.627 0.01 1 379 150 88 PRO C C 177.551 0.00 1 380 150 88 PRO CA C 63.475 0.00 1 381 151 89 GLY H H 8.254 0.00 1 382 151 89 GLY CA C 44.225 0.00 1 383 151 89 GLY N N 112.910 0.01 1 384 152 90 GLN C C 178.034 0.00 1 385 152 90 GLN CA C 57.734 0.00 1 386 152 90 GLN CB C 28.685 0.00 1 387 153 91 GLU H H 8.164 0.00 1 388 153 91 GLU C C 176.507 0.00 1 389 153 91 GLU CA C 56.564 0.44 1 390 153 91 GLU CB C 28.517 0.67 1 391 153 91 GLU N N 120.386 0.07 1 392 154 92 ARG H H 8.254 0.00 1 393 154 92 ARG C C 175.463 0.00 1 394 154 92 ARG CA C 55.395 0.07 1 395 154 92 ARG CB C 30.013 0.00 1 396 154 92 ARG N N 122.636 0.04 1 397 155 93 LEU H H 8.012 0.00 1 398 155 93 LEU C C 176.425 0.00 1 399 155 93 LEU CA C 54.486 0.04 1 400 155 93 LEU CB C 41.466 0.00 1 401 155 93 LEU N N 123.741 0.03 1 402 156 94 TYR H H 7.984 0.00 1 403 156 94 TYR CA C 54.922 0.00 1 404 156 94 TYR CB C 37.326 0.00 1 405 156 94 TYR N N 121.439 0.03 1 406 158 96 PRO C C 177.499 0.00 1 407 158 96 PRO CA C 62.882 0.00 1 408 158 96 PRO CB C 31.194 0.00 1 409 159 97 GLY H H 8.275 0.01 1 410 159 97 GLY C C 173.891 0.00 1 411 159 97 GLY CA C 44.662 0.08 1 412 159 97 GLY N N 109.487 0.03 1 413 160 98 ASP H H 7.857 0.00 1 414 160 98 ASP C C 176.298 0.00 1 415 160 98 ASP CA C 54.339 0.41 1 416 160 98 ASP CB C 40.637 0.00 1 417 160 98 ASP N N 122.006 0.01 1 418 161 99 VAL H H 7.929 0.00 1 419 161 99 VAL C C 175.733 0.00 1 420 161 99 VAL CA C 61.564 0.00 1 421 161 99 VAL CB C 32.105 0.04 1 422 161 99 VAL N N 119.614 0.03 1 423 162 100 ASP H H 8.218 0.00 1 424 162 100 ASP C C 175.835 0.00 1 425 162 100 ASP CA C 53.974 0.02 1 426 162 100 ASP CB C 40.452 0.09 1 427 162 100 ASP N N 124.036 0.02 1 428 163 101 GLU H H 8.050 0.00 1 429 163 101 GLU C C 176.565 0.00 1 430 163 101 GLU CA C 55.717 0.00 1 431 163 101 GLU CB C 31.707 0.00 1 432 163 101 GLU N N 121.743 0.04 1 433 164 102 ILE H H 8.040 0.01 1 434 164 102 ILE CA C 58.210 2.42 1 435 164 102 ILE CB C 37.592 0.00 1 436 164 102 ILE N N 123.475 0.04 1 437 165 103 PRO C C 177.329 0.00 1 438 165 103 PRO CA C 61.843 0.00 1 439 165 103 PRO CB C 31.965 0.00 1 440 166 104 GLU H H 8.818 0.01 1 441 166 104 GLU C C 178.717 0.00 1 442 166 104 GLU CA C 59.564 0.01 1 443 166 104 GLU CB C 28.154 0.13 1 444 166 104 GLU N N 125.400 0.02 1 445 167 105 TRP H H 7.933 0.01 1 446 167 105 TRP C C 178.554 0.00 1 447 167 105 TRP CA C 58.638 0.00 1 448 167 105 TRP CB C 26.907 0.01 1 449 167 105 TRP N N 114.978 0.01 1 450 168 106 VAL H H 6.564 0.00 1 451 168 106 VAL C C 179.148 0.00 1 452 168 106 VAL CA C 65.456 0.02 1 453 168 106 VAL CB C 28.739 0.01 1 454 168 106 VAL N N 124.064 0.01 1 455 169 107 HIS H H 6.702 0.00 1 456 169 107 HIS C C 177.377 0.00 1 457 169 107 HIS CA C 60.404 0.01 1 458 169 107 HIS CB C 30.316 0.01 1 459 169 107 HIS N N 120.521 0.02 1 460 170 108 GLN H H 8.353 0.00 1 461 170 108 GLN C C 177.714 0.00 1 462 170 108 GLN CA C 58.392 0.00 1 463 170 108 GLN CB C 28.766 0.01 1 464 170 108 GLN N N 116.005 0.01 1 465 171 109 LEU H H 8.789 0.00 1 466 171 109 LEU C C 177.415 0.00 1 467 171 109 LEU CA C 55.224 0.01 1 468 171 109 LEU CB C 41.696 0.01 1 469 171 109 LEU N N 113.062 0.00 1 470 172 110 VAL H H 6.977 0.00 1 471 172 110 VAL C C 176.353 0.00 1 472 172 110 VAL CA C 63.416 0.01 1 473 172 110 VAL CB C 32.355 0.01 1 474 172 110 VAL N N 113.772 0.01 1 475 173 111 ILE H H 8.727 0.00 1 476 173 111 ILE C C 177.836 0.00 1 477 173 111 ILE CA C 66.711 0.05 1 478 173 111 ILE CB C 36.537 0.02 1 479 173 111 ILE N N 119.846 0.02 1 480 174 112 GLN H H 8.174 0.00 1 481 174 112 GLN C C 178.011 0.00 1 482 174 112 GLN CA C 59.025 0.01 1 483 174 112 GLN CB C 27.076 0.01 1 484 174 112 GLN N N 116.522 0.01 1 485 175 113 LYS H H 6.454 0.00 1 486 175 113 LYS C C 178.438 0.00 1 487 175 113 LYS CA C 58.127 0.00 1 488 175 113 LYS CB C 30.383 0.03 1 489 175 113 LYS N N 117.996 0.02 1 490 176 114 LEU H H 7.418 0.00 1 491 176 114 LEU C C 178.962 0.00 1 492 176 114 LEU CA C 57.506 0.03 1 493 176 114 LEU CB C 40.523 0.05 1 494 176 114 LEU N N 118.179 0.02 1 495 177 115 VAL H H 8.354 0.00 1 496 177 115 VAL C C 181.547 0.00 1 497 177 115 VAL CA C 64.820 0.03 1 498 177 115 VAL CB C 31.251 0.01 1 499 177 115 VAL N N 121.687 0.01 1 500 178 116 GLU H H 8.523 0.00 1 501 178 116 GLU C C 178.239 0.00 1 502 178 116 GLU CA C 58.931 0.01 1 503 178 116 GLU CB C 28.273 0.01 1 504 178 116 GLU N N 124.861 0.01 1 505 179 117 HIS H H 7.460 0.00 1 506 179 117 HIS C C 173.478 0.00 1 507 179 117 HIS CA C 56.936 0.00 1 508 179 117 HIS CB C 29.398 0.03 1 509 179 117 HIS N N 115.093 0.01 1 510 180 118 ARG H H 7.944 0.00 1 511 180 118 ARG C C 175.835 0.00 1 512 180 118 ARG CA C 56.355 0.01 1 513 180 118 ARG CB C 24.770 0.00 1 514 180 118 ARG N N 115.248 0.01 1 515 181 119 VAL H H 8.479 0.00 1 516 181 119 VAL C C 175.634 0.00 1 517 181 119 VAL CA C 64.851 0.01 1 518 181 119 VAL CB C 31.547 0.00 1 519 181 119 VAL N N 120.111 0.03 1 520 182 120 ILE H H 6.626 0.00 1 521 182 120 ILE CA C 56.477 0.00 1 522 182 120 ILE CB C 39.563 0.00 1 523 182 120 ILE N N 108.787 0.00 1 524 183 121 PRO C C 176.326 0.00 1 525 183 121 PRO CA C 61.161 0.00 1 526 183 121 PRO CB C 31.455 0.00 1 527 184 122 GLU H H 8.556 0.00 1 528 184 122 GLU C C 177.798 0.00 1 529 184 122 GLU CA C 57.177 0.01 1 530 184 122 GLU CB C 28.573 0.01 1 531 184 122 GLU N N 121.769 0.01 1 532 185 123 GLY H H 9.091 0.00 1 533 185 123 GLY C C 173.417 0.00 1 534 185 123 GLY CA C 45.367 0.07 1 535 185 123 GLY N N 115.269 0.01 1 536 186 124 PHE H H 7.732 0.00 1 537 186 124 PHE C C 175.338 0.00 1 538 186 124 PHE CA C 59.941 0.00 1 539 186 124 PHE CB C 41.041 0.02 1 540 186 124 PHE N N 122.431 0.01 1 541 187 125 VAL H H 7.936 0.00 1 542 187 125 VAL C C 177.503 0.00 1 543 187 125 VAL CA C 63.830 0.01 1 544 187 125 VAL CB C 31.843 0.00 1 545 187 125 VAL N N 115.351 0.01 1 546 188 126 ASN H H 8.388 0.01 1 547 188 126 ASN C C 175.900 0.00 1 548 188 126 ASN CA C 54.304 2.28 1 549 188 126 ASN CB C 39.416 1.05 1 550 188 126 ASN N N 123.191 0.02 1 551 189 127 SER H H 9.749 0.00 1 552 189 127 SER C C 171.812 0.00 1 553 189 127 SER CA C 56.655 0.08 1 554 189 127 SER CB C 64.874 0.00 1 555 189 127 SER N N 122.885 0.01 1 556 190 128 ALA H H 8.923 0.01 1 557 190 128 ALA C C 174.257 0.00 1 558 190 128 ALA CA C 49.784 0.02 1 559 190 128 ALA CB C 20.655 0.00 1 560 190 128 ALA N N 129.249 0.01 1 561 191 129 VAL H H 8.867 0.00 1 562 191 129 VAL C C 175.696 0.00 1 563 191 129 VAL CA C 58.882 0.00 1 564 191 129 VAL CB C 34.745 0.02 1 565 191 129 VAL N N 123.314 0.03 1 566 192 130 ILE H H 9.225 0.00 1 567 192 130 ILE C C 175.035 0.00 1 568 192 130 ILE CA C 59.567 0.02 1 569 192 130 ILE CB C 39.034 0.00 1 570 192 130 ILE N N 125.931 0.02 1 571 193 131 ASN H H 9.170 0.00 1 572 193 131 ASN C C 172.815 0.00 1 573 193 131 ASN CA C 51.380 0.00 1 574 193 131 ASN CB C 40.940 0.01 1 575 193 131 ASN N N 126.605 0.01 1 576 194 132 ASP H H 9.026 0.01 1 577 194 132 ASP C C 175.152 0.00 1 578 194 132 ASP CA C 53.004 0.01 1 579 194 132 ASP CB C 42.614 0.03 1 580 194 132 ASP N N 125.398 0.01 1 581 195 133 TYR H H 9.387 0.00 1 582 195 133 TYR C C 175.147 0.00 1 583 195 133 TYR CA C 56.922 0.04 1 584 195 133 TYR CB C 40.122 0.00 1 585 195 133 TYR N N 126.873 0.01 1 586 196 134 GLN H H 8.099 0.00 1 587 196 134 GLN CA C 52.413 0.00 1 588 196 134 GLN N N 119.690 0.04 1 589 197 135 PRO C C 177.367 0.00 1 590 197 135 PRO CA C 62.803 0.00 1 591 198 136 GLY H H 8.155 0.00 1 592 198 136 GLY C C 175.032 0.00 1 593 198 136 GLY CA C 44.595 0.09 1 594 198 136 GLY N N 109.020 0.02 1 595 199 137 GLY H H 8.650 0.00 1 596 199 137 GLY C C 174.396 0.00 1 597 199 137 GLY CA C 44.781 0.10 1 598 199 137 GLY N N 109.472 0.01 1 599 200 138 CYS H H 7.600 0.00 1 600 200 138 CYS C C 174.577 0.00 1 601 200 138 CYS CA C 56.207 0.02 1 602 200 138 CYS CB C 28.799 0.00 1 603 200 138 CYS N N 121.828 0.03 1 604 201 139 ILE H H 6.417 0.01 1 605 201 139 ILE C C 173.795 0.00 1 606 201 139 ILE CA C 59.773 0.07 1 607 201 139 ILE N N 117.570 0.03 1 608 202 140 VAL H H 7.722 0.01 1 609 202 140 VAL C C 175.401 0.00 1 610 202 140 VAL CA C 61.666 0.11 1 611 202 140 VAL CB C 31.602 0.37 1 612 202 140 VAL N N 123.753 0.02 1 613 203 141 SER H H 7.890 0.00 1 614 203 141 SER CA C 59.400 0.00 1 615 203 141 SER CB C 64.285 0.00 1 616 203 141 SER N N 126.331 0.01 1 617 204 142 HIS C C 172.954 0.00 1 618 204 142 HIS CA C 53.407 0.00 1 619 204 142 HIS CB C 32.812 0.00 1 620 205 143 VAL H H 8.358 0.00 1 621 205 143 VAL CA C 56.820 0.00 1 622 205 143 VAL CB C 28.818 0.00 1 623 205 143 VAL N N 120.188 0.03 1 624 208 146 ILE C C 175.741 0.00 1 625 208 146 ILE CA C 63.478 0.00 1 626 208 146 ILE CB C 38.419 0.00 1 627 209 147 HIS H H 8.362 0.00 1 628 209 147 HIS C C 177.010 0.00 1 629 209 147 HIS CA C 55.656 0.55 1 630 209 147 HIS CB C 29.447 0.49 1 631 209 147 HIS N N 116.688 0.02 1 632 210 148 ILE H H 8.040 0.00 1 633 210 148 ILE C C 174.068 0.00 1 634 210 148 ILE CA C 59.736 0.01 1 635 210 148 ILE CB C 37.624 0.00 1 636 210 148 ILE N N 120.857 0.01 1 637 211 149 PHE H H 7.385 0.00 1 638 211 149 PHE CA C 56.914 0.00 1 639 211 149 PHE CB C 40.367 0.00 1 640 211 149 PHE N N 116.474 0.01 1 641 212 150 GLU C C 178.487 0.00 1 642 212 150 GLU CA C 58.092 0.00 1 643 212 150 GLU CB C 28.817 0.00 1 644 213 151 ARG H H 8.243 0.00 1 645 213 151 ARG CA C 53.177 0.00 1 646 213 151 ARG CB C 28.606 0.00 1 647 213 151 ARG N N 121.496 0.04 1 648 214 152 PRO C C 174.300 0.00 1 649 214 152 PRO CA C 61.540 0.00 1 650 214 152 PRO CB C 35.549 0.00 1 651 215 153 ILE H H 8.455 0.00 1 652 215 153 ILE C C 175.809 0.00 1 653 215 153 ILE CA C 60.633 0.06 1 654 215 153 ILE CB C 38.766 0.02 1 655 215 153 ILE N N 118.797 0.01 1 656 216 154 VAL H H 7.543 0.00 1 657 216 154 VAL C C 173.344 0.00 1 658 216 154 VAL CA C 61.015 0.04 1 659 216 154 VAL CB C 32.857 0.03 1 660 216 154 VAL N N 127.816 0.02 1 661 217 155 SER H H 9.271 0.00 1 662 217 155 SER C C 175.988 0.00 1 663 217 155 SER CA C 55.650 0.00 1 664 217 155 SER CB C 65.143 0.07 1 665 217 155 SER N N 121.470 0.01 1 666 218 156 VAL H H 9.284 0.00 1 667 218 156 VAL C C 174.462 0.00 1 668 218 156 VAL CA C 56.986 3.19 1 669 218 156 VAL CB C 33.096 0.05 1 670 218 156 VAL N N 125.775 0.04 1 671 219 157 SER H H 7.150 0.00 1 672 219 157 SER C C 172.379 0.00 1 673 219 157 SER CA C 59.083 0.03 1 674 219 157 SER CB C 64.891 0.10 1 675 219 157 SER N N 121.730 0.02 1 676 220 158 PHE H H 9.303 0.00 1 677 220 158 PHE C C 176.077 0.00 1 678 220 158 PHE CA C 58.668 0.03 1 679 220 158 PHE CB C 42.705 0.02 1 680 220 158 PHE N N 120.302 0.01 1 681 221 159 PHE H H 9.394 0.00 1 682 221 159 PHE C C 176.346 0.00 1 683 221 159 PHE CA C 65.239 0.00 1 684 221 159 PHE CB C 37.087 0.02 1 685 221 159 PHE N N 115.437 0.01 1 686 222 160 SER H H 8.349 0.00 1 687 222 160 SER C C 172.107 0.00 1 688 222 160 SER CA C 57.550 0.00 1 689 222 160 SER CB C 64.712 0.01 1 690 222 160 SER N N 113.229 0.01 1 691 223 161 ASP H H 8.557 0.00 1 692 223 161 ASP C C 175.670 0.00 1 693 223 161 ASP CA C 53.535 0.01 1 694 223 161 ASP CB C 40.283 0.01 1 695 223 161 ASP N N 120.829 0.01 1 696 224 162 SER H H 8.027 0.00 1 697 224 162 SER C C 174.839 0.00 1 698 224 162 SER CA C 55.285 0.02 1 699 224 162 SER CB C 62.779 0.04 1 700 224 162 SER N N 114.846 0.00 1 701 225 163 ALA H H 8.997 0.00 1 702 225 163 ALA C C 174.746 0.00 1 703 225 163 ALA CA C 51.369 0.01 1 704 225 163 ALA CB C 20.525 0.03 1 705 225 163 ALA N N 126.294 0.01 1 706 226 164 LEU H H 9.001 0.00 1 707 226 164 LEU C C 175.321 0.00 1 708 226 164 LEU CA C 53.477 0.01 1 709 226 164 LEU CB C 44.897 0.02 1 710 226 164 LEU N N 125.596 0.02 1 711 227 165 CYS H H 8.220 0.00 1 712 227 165 CYS CA C 58.339 0.00 1 713 227 165 CYS CB C 28.925 0.00 1 714 227 165 CYS N N 120.871 0.03 1 715 228 166 PHE C C 177.393 0.00 1 716 228 166 PHE CA C 57.094 0.00 1 717 229 167 GLY H H 8.694 0.00 1 718 229 167 GLY C C 172.803 0.00 1 719 229 167 GLY CA C 44.183 0.03 1 720 229 167 GLY N N 112.043 0.01 1 721 230 168 CYS H H 7.230 0.01 1 722 230 168 CYS CA C 58.917 0.00 1 723 230 168 CYS CB C 27.681 0.00 1 724 230 168 CYS N N 120.616 0.02 1 725 231 169 LYS C C 178.780 0.00 1 726 231 169 LYS CA C 56.296 0.00 1 727 232 170 PHE H H 8.027 0.00 1 728 232 170 PHE C C 175.646 0.00 1 729 232 170 PHE CA C 56.974 0.03 1 730 232 170 PHE CB C 40.730 0.14 1 731 232 170 PHE N N 120.532 0.03 1 732 233 171 GLN H H 8.435 0.00 1 733 233 171 GLN C C 173.157 0.00 1 734 233 171 GLN CA C 54.067 0.00 1 735 233 171 GLN CB C 32.041 0.01 1 736 233 171 GLN N N 121.219 0.01 1 737 234 172 PHE H H 8.308 0.00 1 738 234 172 PHE C C 175.272 0.00 1 739 234 172 PHE CA C 57.562 0.01 1 740 234 172 PHE CB C 41.380 0.01 1 741 234 172 PHE N N 117.036 0.01 1 742 235 173 LYS H H 8.618 0.00 1 743 235 173 LYS CA C 55.540 0.00 1 744 235 173 LYS CB C 30.069 0.00 1 745 235 173 LYS N N 116.429 0.01 1 746 236 174 PRO C C 176.623 0.00 1 747 236 174 PRO CA C 62.677 0.00 1 748 236 174 PRO CB C 34.035 0.00 1 749 237 175 ILE H H 8.200 0.00 1 750 237 175 ILE C C 176.683 0.00 1 751 237 175 ILE CA C 61.812 0.00 1 752 237 175 ILE CB C 36.462 0.02 1 753 237 175 ILE N N 119.178 0.00 1 754 238 176 ARG H H 7.971 0.00 1 755 238 176 ARG C C 173.874 0.00 1 756 238 176 ARG CA C 54.523 0.00 1 757 238 176 ARG CB C 33.029 0.03 1 758 238 176 ARG N N 129.972 0.02 1 759 239 177 VAL H H 8.388 0.00 1 760 239 177 VAL C C 175.596 0.00 1 761 239 177 VAL CA C 59.939 0.00 1 762 239 177 VAL CB C 32.731 0.03 1 763 239 177 VAL N N 123.077 0.03 1 764 240 178 SER H H 8.124 0.00 1 765 240 178 SER C C 173.480 0.00 1 766 240 178 SER CA C 58.242 0.00 1 767 240 178 SER CB C 63.561 0.01 1 768 240 178 SER N N 123.171 0.02 1 769 241 179 GLU H H 8.365 0.00 1 770 241 179 GLU CA C 54.152 0.00 1 771 241 179 GLU CB C 28.674 0.00 1 772 241 179 GLU N N 120.751 0.02 1 773 242 180 PRO C C 177.307 0.00 1 774 242 180 PRO CA C 62.457 0.00 1 775 242 180 PRO CB C 31.534 0.00 1 776 243 181 VAL H H 8.393 0.00 1 777 243 181 VAL C C 175.200 0.00 1 778 243 181 VAL CA C 64.872 0.00 1 779 243 181 VAL CB C 31.514 0.00 1 780 243 181 VAL N N 122.617 0.01 1 781 244 182 LEU H H 6.930 0.00 1 782 244 182 LEU C C 174.088 0.00 1 783 244 182 LEU CA C 54.331 0.01 1 784 244 182 LEU CB C 45.282 0.00 1 785 244 182 LEU N N 115.174 0.01 1 786 245 183 SER H H 8.706 0.00 1 787 245 183 SER C C 172.533 0.00 1 788 245 183 SER CA C 56.056 0.02 1 789 245 183 SER CB C 63.207 0.00 1 790 245 183 SER N N 123.289 0.02 1 791 246 184 LEU H H 9.278 0.00 1 792 246 184 LEU CA C 50.643 0.00 1 793 246 184 LEU CB C 45.141 0.00 1 794 246 184 LEU N N 130.331 0.01 1 795 247 185 PRO C C 174.442 0.00 1 796 247 185 PRO CA C 61.392 0.00 1 797 247 185 PRO CB C 27.763 0.00 1 798 248 186 VAL H H 7.976 0.01 1 799 248 186 VAL C C 176.637 0.00 1 800 248 186 VAL CA C 62.214 0.38 1 801 248 186 VAL CB C 31.893 0.00 1 802 248 186 VAL N N 122.580 0.04 1 803 249 187 ARG H H 8.035 0.00 1 804 249 187 ARG C C 176.564 0.00 1 805 249 187 ARG CA C 58.745 3.57 1 806 249 187 ARG CB C 30.951 0.70 1 807 249 187 ARG N N 124.406 0.07 1 808 250 188 ARG H H 8.844 0.00 1 809 250 188 ARG C C 176.943 0.00 1 810 250 188 ARG CA C 57.536 0.01 1 811 250 188 ARG CB C 29.639 0.07 1 812 250 188 ARG N N 125.437 0.01 1 813 251 189 GLY H H 9.172 0.00 1 814 251 189 GLY C C 173.024 0.00 1 815 251 189 GLY CA C 46.059 0.07 1 816 251 189 GLY N N 117.506 0.02 1 817 252 190 SER H H 8.017 0.00 1 818 252 190 SER C C 172.936 0.00 1 819 252 190 SER CA C 58.025 0.00 1 820 252 190 SER CB C 64.780 0.01 1 821 252 190 SER N N 114.821 0.01 1 822 253 191 VAL H H 8.982 0.00 1 823 253 191 VAL C C 174.341 0.00 1 824 253 191 VAL CA C 59.910 0.01 1 825 253 191 VAL CB C 33.308 0.00 1 826 253 191 VAL N N 123.742 0.01 1 827 254 192 THR H H 9.233 0.00 1 828 254 192 THR C C 172.790 0.00 1 829 254 192 THR CA C 62.031 0.00 1 830 254 192 THR CB C 69.485 0.01 1 831 254 192 THR N N 124.855 0.01 1 832 255 193 VAL H H 9.341 0.00 1 833 255 193 VAL C C 175.538 0.00 1 834 255 193 VAL CA C 60.889 0.01 1 835 255 193 VAL CB C 32.545 0.00 1 836 255 193 VAL N N 128.898 0.01 1 837 256 194 LEU H H 8.961 0.00 1 838 256 194 LEU C C 175.313 0.00 1 839 256 194 LEU CA C 53.135 0.00 1 840 256 194 LEU CB C 43.605 0.00 1 841 256 194 LEU N N 127.120 0.01 1 842 257 195 SER H H 9.278 0.00 1 843 257 195 SER C C 172.702 0.00 1 844 257 195 SER CA C 56.637 0.00 1 845 257 195 SER CB C 65.699 0.00 1 846 257 195 SER N N 117.059 0.01 1 847 258 196 GLY H H 8.945 0.00 1 848 258 196 GLY C C 175.110 0.00 1 849 258 196 GLY CA C 46.054 0.08 1 850 258 196 GLY N N 107.291 0.01 1 851 259 197 TYR H H 8.802 0.00 1 852 259 197 TYR C C 177.689 0.00 1 853 259 197 TYR CA C 61.791 0.01 1 854 259 197 TYR CB C 38.797 0.04 1 855 259 197 TYR N N 127.802 0.01 1 856 260 198 ALA H H 7.174 0.00 1 857 260 198 ALA C C 175.983 0.00 1 858 260 198 ALA CA C 53.792 0.01 1 859 260 198 ALA CB C 18.091 0.01 1 860 260 198 ALA N N 113.357 0.03 1 861 261 199 ALA H H 6.803 0.00 1 862 261 199 ALA C C 178.764 0.00 1 863 261 199 ALA CA C 51.267 0.01 1 864 261 199 ALA CB C 18.745 0.08 1 865 261 199 ALA N N 114.588 0.01 1 866 262 200 ASP H H 7.835 0.00 1 867 262 200 ASP C C 178.027 0.00 1 868 262 200 ASP CA C 55.657 0.01 1 869 262 200 ASP CB C 42.078 0.01 1 870 262 200 ASP N N 115.646 0.01 1 871 263 201 GLU H H 7.875 0.00 1 872 263 201 GLU C C 173.677 0.00 1 873 263 201 GLU CA C 55.714 0.01 1 874 263 201 GLU CB C 29.273 0.01 1 875 263 201 GLU N N 117.227 0.02 1 876 264 202 ILE H H 7.152 0.00 1 877 264 202 ILE C C 172.334 0.00 1 878 264 202 ILE CA C 58.552 0.00 1 879 264 202 ILE CB C 40.447 0.03 1 880 264 202 ILE N N 118.214 0.02 1 881 265 203 THR H H 7.523 0.00 1 882 265 203 THR CA C 60.153 0.00 1 883 265 203 THR CB C 70.757 0.00 1 884 265 203 THR N N 115.047 0.01 1 885 266 204 HIS C C 178.500 0.00 1 886 266 204 HIS CA C 58.301 0.00 1 887 266 204 HIS CB C 28.532 0.00 1 888 267 205 CYS H H 8.146 0.00 1 889 267 205 CYS CA C 57.654 0.00 1 890 267 205 CYS CB C 27.549 0.00 1 891 267 205 CYS N N 119.918 0.02 1 892 268 206 ILE C C 177.120 0.00 1 893 268 206 ILE CA C 59.744 0.00 1 894 268 206 ILE CB C 37.617 0.00 1 895 269 207 ARG H H 8.097 0.00 1 896 269 207 ARG N N 121.251 0.01 1 897 270 208 PRO C C 176.807 0.00 1 898 270 208 PRO CA C 62.645 0.00 1 899 270 208 PRO CB C 31.075 0.00 1 900 271 209 GLN H H 8.466 0.00 1 901 271 209 GLN C C 175.206 0.00 1 902 271 209 GLN CA C 56.094 0.04 1 903 271 209 GLN CB C 29.228 0.00 1 904 271 209 GLN N N 121.849 0.01 1 905 272 210 ASP H H 8.185 0.00 1 906 272 210 ASP C C 173.774 0.00 1 907 272 210 ASP CA C 52.424 0.06 1 908 272 210 ASP CB C 38.577 0.00 1 909 272 210 ASP N N 124.234 0.01 1 910 273 211 ILE H H 9.234 0.01 1 911 273 211 ILE C C 176.816 0.00 1 912 273 211 ILE CA C 62.067 0.60 1 913 273 211 ILE CB C 39.887 0.81 1 914 273 211 ILE N N 126.525 0.05 1 915 274 212 LYS H H 8.459 0.01 1 916 274 212 LYS C C 175.804 0.00 1 917 274 212 LYS CA C 56.317 0.02 1 918 274 212 LYS CB C 32.409 0.00 1 919 274 212 LYS N N 122.496 0.06 1 920 275 213 GLU H H 7.683 0.00 1 921 275 213 GLU C C 176.289 0.00 1 922 275 213 GLU CA C 55.129 1.69 1 923 275 213 GLU CB C 30.794 1.97 1 924 275 213 GLU N N 117.797 0.02 1 925 276 214 ARG H H 8.565 0.00 1 926 276 214 ARG C C 174.420 0.00 1 927 276 214 ARG CA C 55.477 0.66 1 928 276 214 ARG CB C 31.487 1.87 1 929 276 214 ARG N N 128.511 0.01 1 930 277 215 ARG H H 8.764 0.00 1 931 277 215 ARG C C 177.992 0.00 1 932 277 215 ARG CA C 55.957 1.78 1 933 277 215 ARG CB C 29.982 1.32 1 934 277 215 ARG N N 124.244 0.01 1 935 278 216 ALA H H 7.868 0.00 1 936 278 216 ALA C C 179.156 0.00 1 937 278 216 ALA CA C 53.308 0.02 1 938 278 216 ALA CB C 17.508 0.01 1 939 278 216 ALA N N 122.569 0.05 1 940 279 217 VAL H H 7.762 0.00 1 941 279 217 VAL C C 174.975 0.00 1 942 279 217 VAL CA C 58.204 1.18 1 943 279 217 VAL CB C 32.551 3.14 1 944 279 217 VAL N N 118.767 0.03 1 945 280 218 ILE H H 9.376 0.00 1 946 280 218 ILE C C 174.741 0.00 1 947 280 218 ILE CA C 59.973 0.00 1 948 280 218 ILE CB C 38.669 0.03 1 949 280 218 ILE N N 125.873 0.02 1 950 281 219 ILE H H 9.685 0.00 1 951 281 219 ILE C C 175.906 0.00 1 952 281 219 ILE CA C 60.310 0.00 1 953 281 219 ILE CB C 38.171 0.07 1 954 281 219 ILE N N 129.154 0.01 1 955 282 220 LEU H H 9.637 0.01 1 956 282 220 LEU C C 174.413 0.00 1 957 282 220 LEU CA C 53.178 0.02 1 958 282 220 LEU CB C 41.531 0.02 1 959 282 220 LEU N N 132.289 0.03 1 960 283 221 ARG H H 8.209 0.00 1 961 283 221 ARG N N 119.094 0.01 1 962 284 222 LYS C C 177.738 0.00 1 963 284 222 LYS CA C 52.093 0.00 1 964 285 223 THR H H 7.864 0.00 1 965 285 223 THR C C 175.061 0.00 1 966 285 223 THR CA C 60.585 0.07 1 967 285 223 THR CB C 68.720 0.00 1 968 285 223 THR N N 120.319 0.04 1 969 286 224 ARG H H 8.387 0.00 1 970 286 224 ARG C C 174.930 0.00 1 971 286 224 ARG CA C 55.669 0.05 1 972 286 224 ARG CB C 27.464 0.00 1 973 286 224 ARG N N 121.926 0.02 1 974 287 225 LEU H H 6.785 0.00 1 975 287 225 LEU C C 174.707 0.00 1 976 287 225 LEU CA C 54.777 0.00 1 977 287 225 LEU CB C 44.239 0.01 1 978 287 225 LEU N N 122.911 0.01 1 979 288 226 ASP H H 7.707 0.00 1 980 288 226 ASP C C 175.819 0.00 1 981 288 226 ASP CA C 54.201 2.39 1 982 288 226 ASP CB C 40.472 0.00 1 983 288 226 ASP N N 116.544 0.01 1 984 289 227 ALA H H 7.009 0.00 1 985 289 227 ALA CA C 50.120 0.00 1 986 289 227 ALA CB C 18.463 0.00 1 987 289 227 ALA N N 123.320 0.01 1 988 290 228 PRO C C 175.557 0.00 1 989 290 228 PRO CA C 62.242 0.00 1 990 290 228 PRO CB C 31.218 0.00 1 991 291 229 ARG H H 8.184 0.00 1 992 291 229 ARG C C 175.214 0.00 1 993 291 229 ARG CA C 54.014 0.33 1 994 291 229 ARG CB C 28.959 0.00 1 995 291 229 ARG N N 120.792 0.02 1 996 292 230 LEU H H 9.134 0.00 1 997 292 230 LEU CA C 53.461 0.00 1 998 292 230 LEU CB C 42.501 0.00 1 999 292 230 LEU N N 127.877 0.01 1 stop_ save_