data_26974 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Hsp31 ; _BMRB_accession_number 26974 _BMRB_flat_file_name bmr26974.str _Entry_type original _Submission_date 2016-12-16 _Accession_date 2016-12-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kim Jihong . . 2 Choi Dongwook . . 3 Park Chankyu . . 4 Ryu Kyoung-Seok . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 240 "13C chemical shifts" 763 "15N chemical shifts" 240 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-07 update BMRB 'update entry citation' 2017-03-31 original author 'original release' stop_ _Original_release_date 2016-12-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone resonance assignments of the Escherichia coli 62 kDa protein, Hsp31 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28258548 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kim Jihong . . 2 Choi Dongwook . . 3 Park Chankyu . . 4 Ryu Kyoung-Seok . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 11 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 159 _Page_last 163 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Hsp31 dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Hsp31, subunit 1' $Hsp31 'Hsp31, subunit 2' $Hsp31 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_Hsp31 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Hsp31 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 283 _Mol_residue_sequence ; MTVQTSKNPQVDIAEDNAFF PSEYSLSQYTSPVSDLDGVD YPKPYRGKHKILVIAADERY LPTDNGKLFSTGNHPIETLL PLYHLHAAGFEFEVATISGL MTKFEYWAMPHKDEKVMPFF EQHKSLFRNPKKLADVVASL NADSEYAAIFVPGGHGALIG LPESQDVAAALQWAIKNDRF VISLCHGPAAFLALRHGDNP LNGYSICAFPDAADKQTPEI GYMPGHLTWYFGEELKKMGM NIINDDITGRVHKDRKLLTG DSPFAANALGKLAAQEMLAA YAG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 VAL 4 GLN 5 THR 6 SER 7 LYS 8 ASN 9 PRO 10 GLN 11 VAL 12 ASP 13 ILE 14 ALA 15 GLU 16 ASP 17 ASN 18 ALA 19 PHE 20 PHE 21 PRO 22 SER 23 GLU 24 TYR 25 SER 26 LEU 27 SER 28 GLN 29 TYR 30 THR 31 SER 32 PRO 33 VAL 34 SER 35 ASP 36 LEU 37 ASP 38 GLY 39 VAL 40 ASP 41 TYR 42 PRO 43 LYS 44 PRO 45 TYR 46 ARG 47 GLY 48 LYS 49 HIS 50 LYS 51 ILE 52 LEU 53 VAL 54 ILE 55 ALA 56 ALA 57 ASP 58 GLU 59 ARG 60 TYR 61 LEU 62 PRO 63 THR 64 ASP 65 ASN 66 GLY 67 LYS 68 LEU 69 PHE 70 SER 71 THR 72 GLY 73 ASN 74 HIS 75 PRO 76 ILE 77 GLU 78 THR 79 LEU 80 LEU 81 PRO 82 LEU 83 TYR 84 HIS 85 LEU 86 HIS 87 ALA 88 ALA 89 GLY 90 PHE 91 GLU 92 PHE 93 GLU 94 VAL 95 ALA 96 THR 97 ILE 98 SER 99 GLY 100 LEU 101 MET 102 THR 103 LYS 104 PHE 105 GLU 106 TYR 107 TRP 108 ALA 109 MET 110 PRO 111 HIS 112 LYS 113 ASP 114 GLU 115 LYS 116 VAL 117 MET 118 PRO 119 PHE 120 PHE 121 GLU 122 GLN 123 HIS 124 LYS 125 SER 126 LEU 127 PHE 128 ARG 129 ASN 130 PRO 131 LYS 132 LYS 133 LEU 134 ALA 135 ASP 136 VAL 137 VAL 138 ALA 139 SER 140 LEU 141 ASN 142 ALA 143 ASP 144 SER 145 GLU 146 TYR 147 ALA 148 ALA 149 ILE 150 PHE 151 VAL 152 PRO 153 GLY 154 GLY 155 HIS 156 GLY 157 ALA 158 LEU 159 ILE 160 GLY 161 LEU 162 PRO 163 GLU 164 SER 165 GLN 166 ASP 167 VAL 168 ALA 169 ALA 170 ALA 171 LEU 172 GLN 173 TRP 174 ALA 175 ILE 176 LYS 177 ASN 178 ASP 179 ARG 180 PHE 181 VAL 182 ILE 183 SER 184 LEU 185 CYS 186 HIS 187 GLY 188 PRO 189 ALA 190 ALA 191 PHE 192 LEU 193 ALA 194 LEU 195 ARG 196 HIS 197 GLY 198 ASP 199 ASN 200 PRO 201 LEU 202 ASN 203 GLY 204 TYR 205 SER 206 ILE 207 CYS 208 ALA 209 PHE 210 PRO 211 ASP 212 ALA 213 ALA 214 ASP 215 LYS 216 GLN 217 THR 218 PRO 219 GLU 220 ILE 221 GLY 222 TYR 223 MET 224 PRO 225 GLY 226 HIS 227 LEU 228 THR 229 TRP 230 TYR 231 PHE 232 GLY 233 GLU 234 GLU 235 LEU 236 LYS 237 LYS 238 MET 239 GLY 240 MET 241 ASN 242 ILE 243 ILE 244 ASN 245 ASP 246 ASP 247 ILE 248 THR 249 GLY 250 ARG 251 VAL 252 HIS 253 LYS 254 ASP 255 ARG 256 LYS 257 LEU 258 LEU 259 THR 260 GLY 261 ASP 262 SER 263 PRO 264 PHE 265 ALA 266 ALA 267 ASN 268 ALA 269 LEU 270 GLY 271 LYS 272 LEU 273 ALA 274 ALA 275 GLN 276 GLU 277 MET 278 LEU 279 ALA 280 ALA 281 TYR 282 ALA 283 GLY 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 $Hsp31 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Hsp31 'recombinant technology' . Escherichia coli . pET21b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Hsp31 0.8 mM '[U-13C; U-15N; U-2H]' HEPES 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' D2O 5 % [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_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 . pH pressure 1 . atm temperature 313.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HN(CO)CACB' '3D HN(CA)CO' '3D HNCO' '3D HN(CO)CA' '3D HNCA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Hsp31, subunit 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 4 4 GLN C C 176.128 . . 2 4 4 GLN CA C 55.648 . . 3 5 5 THR H H 7.938 . . 4 5 5 THR CA C 61.419 . . 5 5 5 THR CB C 69.533 . . 6 5 5 THR N N 114.298 . . 7 6 6 SER H H 8.513 . . 8 6 6 SER C C 175.221 . . 9 6 6 SER CA C 58.720 . . 10 6 6 SER N N 117.673 . . 11 7 7 LYS H H 8.370 . . 12 7 7 LYS C C 175.579 . . 13 7 7 LYS CA C 56.140 . . 14 7 7 LYS CB C 31.392 . . 15 7 7 LYS N N 123.323 . . 16 8 8 ASN H H 8.066 . . 17 8 8 ASN C C 173.174 . . 18 8 8 ASN CA C 51.102 . . 19 8 8 ASN CB C 37.277 . . 20 8 8 ASN N N 121.102 . . 21 9 9 PRO C C 175.587 . . 22 9 9 PRO CA C 63.502 . . 23 9 9 PRO CB C 31.270 . . 24 10 10 GLN H H 7.726 . . 25 10 10 GLN C C 175.302 . . 26 10 10 GLN CA C 55.002 . . 27 10 10 GLN CB C 31.994 . . 28 10 10 GLN N N 122.342 . . 29 11 11 VAL H H 8.698 . . 30 11 11 VAL C C 174.551 . . 31 11 11 VAL CA C 64.025 . . 32 11 11 VAL CB C 31.817 . . 33 11 11 VAL N N 125.042 . . 34 12 12 ASP H H 7.606 . . 35 12 12 ASP C C 177.093 . . 36 12 12 ASP CA C 51.854 . . 37 12 12 ASP CB C 39.451 . . 38 12 12 ASP N N 126.260 . . 39 13 13 ILE H H 8.137 . . 40 13 13 ILE C C 176.872 . . 41 13 13 ILE CA C 61.560 . . 42 13 13 ILE CB C 37.956 . . 43 13 13 ILE N N 120.086 . . 44 14 14 ALA H H 8.248 . . 45 14 14 ALA C C 176.196 . . 46 14 14 ALA CA C 53.940 . . 47 14 14 ALA CB C 17.772 . . 48 14 14 ALA N N 123.774 . . 49 15 15 GLU H H 6.759 . . 50 15 15 GLU C C 173.526 . . 51 15 15 GLU CA C 52.764 . . 52 15 15 GLU CB C 35.376 . . 53 15 15 GLU N N 115.072 . . 54 16 16 ASP H H 6.772 . . 55 16 16 ASP C C 175.279 . . 56 16 16 ASP CA C 53.602 . . 57 16 16 ASP CB C 41.015 . . 58 16 16 ASP N N 124.685 . . 59 17 17 ASN H H 8.138 . . 60 17 17 ASN C C 172.308 . . 61 17 17 ASN CA C 53.306 . . 62 17 17 ASN CB C 37.818 . . 63 17 17 ASN N N 123.169 . . 64 18 18 ALA H H 7.613 . . 65 18 18 ALA C C 177.274 . . 66 18 18 ALA CA C 49.299 . . 67 18 18 ALA CB C 23.874 . . 68 18 18 ALA N N 119.167 . . 69 19 19 PHE H H 8.396 . . 70 19 19 PHE C C 175.237 . . 71 19 19 PHE CA C 56.987 . . 72 19 19 PHE CB C 43.224 . . 73 19 19 PHE N N 115.423 . . 74 20 20 PHE H H 9.518 . . 75 20 20 PHE C C 173.877 . . 76 20 20 PHE CA C 53.852 . . 77 20 20 PHE CB C 37.628 . . 78 20 20 PHE N N 122.773 . . 79 21 21 PRO C C 175.270 . . 80 21 21 PRO CA C 63.084 . . 81 21 21 PRO CB C 32.104 . . 82 22 22 SER H H 7.637 . . 83 22 22 SER C C 174.242 . . 84 22 22 SER CA C 55.899 . . 85 22 22 SER CB C 65.629 . . 86 22 22 SER N N 113.940 . . 87 23 23 GLU H H 9.738 . . 88 23 23 GLU C C 179.856 . . 89 23 23 GLU CA C 59.861 . . 90 23 23 GLU CB C 29.236 . . 91 23 23 GLU N N 123.837 . . 92 24 24 TYR H H 8.967 . . 93 24 24 TYR C C 178.931 . . 94 24 24 TYR CA C 61.162 . . 95 24 24 TYR CB C 38.656 . . 96 24 24 TYR N N 118.600 . . 97 25 25 SER H H 8.311 . . 98 25 25 SER C C 176.857 . . 99 25 25 SER CA C 62.397 . . 100 25 25 SER N N 118.176 . . 101 26 26 LEU H H 8.442 . . 102 26 26 LEU C C 180.687 . . 103 26 26 LEU CA C 57.648 . . 104 26 26 LEU CB C 39.550 . . 105 26 26 LEU N N 124.910 . . 106 27 27 SER H H 7.946 . . 107 27 27 SER C C 175.030 . . 108 27 27 SER CA C 60.703 . . 109 27 27 SER CB C 62.383 . . 110 27 27 SER N N 116.283 . . 111 28 28 GLN H H 7.033 . . 112 28 28 GLN C C 177.914 . . 113 28 28 GLN CA C 55.836 . . 114 28 28 GLN CB C 28.548 . . 115 28 28 GLN N N 117.138 . . 116 29 29 TYR H H 7.771 . . 117 29 29 TYR C C 175.798 . . 118 29 29 TYR CA C 57.633 . . 119 29 29 TYR CB C 39.665 . . 120 29 29 TYR N N 114.428 . . 121 30 30 THR H H 7.958 . . 122 30 30 THR C C 172.886 . . 123 30 30 THR CA C 60.436 . . 124 30 30 THR CB C 72.196 . . 125 30 30 THR N N 111.536 . . 126 31 31 SER H H 8.103 . . 127 31 31 SER C C 173.343 . . 128 31 31 SER CA C 55.269 . . 129 31 31 SER CB C 64.914 . . 130 31 31 SER N N 114.305 . . 131 32 32 PRO C C 174.525 . . 132 32 32 PRO CA C 63.636 . . 133 32 32 PRO CB C 31.252 . . 134 33 33 VAL H H 7.141 . . 135 33 33 VAL C C 175.119 . . 136 33 33 VAL CA C 60.401 . . 137 33 33 VAL CB C 33.900 . . 138 33 33 VAL N N 111.528 . . 139 34 34 SER H H 9.599 . . 140 34 34 SER C C 173.465 . . 141 34 34 SER CA C 58.365 . . 142 34 34 SER CB C 65.743 . . 143 34 34 SER N N 123.500 . . 144 35 35 ASP H H 8.597 . . 145 35 35 ASP C C 174.790 . . 146 35 35 ASP CA C 51.945 . . 147 35 35 ASP CB C 38.733 . . 148 35 35 ASP N N 120.085 . . 149 36 36 LEU H H 7.364 . . 150 36 36 LEU C C 176.980 . . 151 36 36 LEU CA C 55.480 . . 152 36 36 LEU CB C 41.246 . . 153 36 36 LEU N N 119.800 . . 154 37 37 ASP H H 8.390 . . 155 37 37 ASP C C 175.551 . . 156 37 37 ASP CA C 53.356 . . 157 37 37 ASP N N 125.324 . . 158 38 38 GLY H H 8.114 . . 159 38 38 GLY C C 175.106 . . 160 38 38 GLY CA C 46.690 . . 161 38 38 GLY N N 107.576 . . 162 39 39 VAL H H 7.912 . . 163 39 39 VAL C C 174.115 . . 164 39 39 VAL CA C 60.653 . . 165 39 39 VAL CB C 28.290 . . 166 39 39 VAL N N 120.172 . . 167 40 40 ASP H H 6.162 . . 168 40 40 ASP C C 173.252 . . 169 40 40 ASP CA C 53.220 . . 170 40 40 ASP CB C 40.459 . . 171 40 40 ASP N N 127.336 . . 172 41 41 TYR H H 8.264 . . 173 41 41 TYR C C 173.292 . . 174 41 41 TYR CA C 54.613 . . 175 41 41 TYR CB C 37.636 . . 176 41 41 TYR N N 122.808 . . 177 42 42 PRO C C 176.643 . . 178 42 42 PRO CA C 63.667 . . 179 42 42 PRO CB C 31.538 . . 180 43 43 LYS H H 8.295 . . 181 43 43 LYS C C 172.720 . . 182 43 43 LYS CA C 52.644 . . 183 43 43 LYS CB C 31.720 . . 184 43 43 LYS N N 120.711 . . 185 44 44 PRO C C 176.100 . . 186 44 44 PRO CA C 62.204 . . 187 44 44 PRO CB C 31.581 . . 188 45 45 TYR H H 8.582 . . 189 45 45 TYR C C 175.260 . . 190 45 45 TYR CA C 57.553 . . 191 45 45 TYR CB C 38.380 . . 192 45 45 TYR N N 122.147 . . 193 46 46 ARG H H 7.762 . . 194 46 46 ARG C C 176.272 . . 195 46 46 ARG CA C 53.806 . . 196 46 46 ARG CB C 29.665 . . 197 46 46 ARG N N 124.225 . . 198 47 47 GLY C C 172.846 . . 199 47 47 GLY CA C 44.513 . . 200 48 48 LYS H H 8.360 . . 201 48 48 LYS C C 177.455 . . 202 48 48 LYS CA C 55.309 . . 203 48 48 LYS CB C 32.657 . . 204 48 48 LYS N N 115.964 . . 205 49 49 HIS H H 8.728 . . 206 49 49 HIS C C 176.588 . . 207 49 49 HIS CA C 58.010 . . 208 49 49 HIS CB C 30.986 . . 209 49 49 HIS N N 120.479 . . 210 50 50 LYS H H 8.055 . . 211 50 50 LYS C C 176.902 . . 212 50 50 LYS CA C 54.393 . . 213 50 50 LYS CB C 37.037 . . 214 50 50 LYS N N 118.111 . . 215 55 55 ALA C C 174.435 . . 216 55 55 ALA CA C 49.412 . . 217 55 55 ALA CB C 22.851 . . 218 56 56 ALA H H 9.029 . . 219 56 56 ALA C C 176.278 . . 220 56 56 ALA CA C 52.114 . . 221 56 56 ALA CB C 17.218 . . 222 56 56 ALA N N 121.850 . . 223 57 57 ASP H H 8.656 . . 224 57 57 ASP C C 174.945 . . 225 57 57 ASP CA C 52.114 . . 226 57 57 ASP CB C 39.459 . . 227 57 57 ASP N N 118.200 . . 228 58 58 GLU H H 7.916 . . 229 58 58 GLU C C 171.930 . . 230 58 58 GLU CA C 53.578 . . 231 58 58 GLU CB C 32.405 . . 232 58 58 GLU N N 124.824 . . 233 59 59 ARG H H 8.163 . . 234 59 59 ARG C C 173.981 . . 235 59 59 ARG CA C 54.564 . . 236 59 59 ARG CB C 31.206 . . 237 59 59 ARG N N 123.539 . . 238 60 60 TYR H H 8.333 . . 239 60 60 TYR C C 173.314 . . 240 60 60 TYR CA C 59.056 . . 241 60 60 TYR CB C 38.638 . . 242 60 60 TYR N N 116.891 . . 243 61 61 LEU H H 8.745 . . 244 61 61 LEU CA C 50.482 . . 245 61 61 LEU CB C 46.063 . . 246 61 61 LEU N N 126.876 . . 247 62 62 PRO C C 176.149 . . 248 62 62 PRO CA C 63.148 . . 249 62 62 PRO CB C 31.384 . . 250 63 63 THR H H 7.839 . . 251 63 63 THR C C 177.017 . . 252 63 63 THR CA C 60.541 . . 253 63 63 THR CB C 70.152 . . 254 63 63 THR N N 112.135 . . 255 64 64 ASP H H 9.675 . . 256 64 64 ASP C C 176.305 . . 257 64 64 ASP CA C 56.180 . . 258 64 64 ASP CB C 39.574 . . 259 64 64 ASP N N 121.328 . . 260 65 65 ASN H H 7.604 . . 261 65 65 ASN C C 176.691 . . 262 65 65 ASN CA C 51.551 . . 263 65 65 ASN CB C 37.267 . . 264 65 65 ASN N N 116.974 . . 265 66 66 GLY H H 7.854 . . 266 66 66 GLY C C 174.754 . . 267 66 66 GLY CA C 44.975 . . 268 66 66 GLY N N 108.091 . . 269 67 67 LYS H H 7.671 . . 270 67 67 LYS C C 176.430 . . 271 67 67 LYS CA C 56.136 . . 272 67 67 LYS CB C 32.484 . . 273 67 67 LYS N N 120.352 . . 274 68 68 LEU H H 9.129 . . 275 68 68 LEU C C 175.879 . . 276 68 68 LEU CA C 53.067 . . 277 68 68 LEU CB C 42.870 . . 278 68 68 LEU N N 121.427 . . 279 69 69 PHE H H 9.820 . . 280 69 69 PHE C C 173.609 . . 281 69 69 PHE CA C 52.734 . . 282 69 69 PHE CB C 38.854 . . 283 69 69 PHE N N 125.496 . . 284 70 70 SER H H 8.731 . . 285 70 70 SER C C 171.096 . . 286 70 70 SER CA C 56.738 . . 287 70 70 SER CB C 61.262 . . 288 70 70 SER N N 125.033 . . 289 71 71 THR H H 8.702 . . 290 71 71 THR C C 173.644 . . 291 71 71 THR CA C 56.832 . . 292 71 71 THR CB C 66.921 . . 293 71 71 THR N N 127.216 . . 294 72 72 GLY H H 9.305 . . 295 72 72 GLY C C 174.049 . . 296 72 72 GLY CA C 42.951 . . 297 72 72 GLY N N 111.596 . . 298 73 73 ASN H H 9.331 . . 299 73 73 ASN C C 175.639 . . 300 73 73 ASN CA C 52.311 . . 301 73 73 ASN CB C 40.828 . . 302 73 73 ASN N N 117.624 . . 303 74 74 HIS H H 7.775 . . 304 74 74 HIS C C 177.813 . . 305 74 74 HIS CA C 55.009 . . 306 74 74 HIS CB C 31.172 . . 307 74 74 HIS N N 126.356 . . 308 75 75 PRO C C 178.746 . . 309 75 75 PRO CA C 65.243 . . 310 75 75 PRO CB C 31.206 . . 311 76 76 ILE H H 8.123 . . 312 76 76 ILE C C 178.041 . . 313 76 76 ILE CA C 63.225 . . 314 76 76 ILE CB C 35.453 . . 315 76 76 ILE N N 121.320 . . 316 77 77 GLU H H 7.726 . . 317 77 77 GLU C C 175.161 . . 318 77 77 GLU CA C 58.137 . . 319 77 77 GLU CB C 28.763 . . 320 77 77 GLU N N 116.273 . . 321 78 78 THR H H 7.420 . . 322 78 78 THR C C 175.277 . . 323 78 78 THR CA C 65.842 . . 324 78 78 THR CB C 68.806 . . 325 78 78 THR N N 107.406 . . 326 79 79 LEU H H 8.171 . . 327 79 79 LEU C C 178.296 . . 328 79 79 LEU CA C 57.216 . . 329 79 79 LEU N N 115.096 . . 330 80 80 LEU H H 8.293 . . 331 80 80 LEU C C 176.975 . . 332 80 80 LEU CA C 60.866 . . 333 80 80 LEU N N 118.661 . . 334 83 83 TYR C C 179.379 . . 335 83 83 TYR CA C 61.120 . . 336 83 83 TYR CB C 37.169 . . 337 84 84 HIS H H 7.638 . . 338 84 84 HIS C C 177.021 . . 339 84 84 HIS CA C 61.674 . . 340 84 84 HIS CB C 31.768 . . 341 84 84 HIS N N 118.186 . . 342 85 85 LEU C C 177.622 . . 343 85 85 LEU CA C 57.857 . . 344 86 86 HIS H H 8.872 . . 345 86 86 HIS C C 180.321 . . 346 86 86 HIS CA C 59.544 . . 347 86 86 HIS CB C 29.389 . . 348 86 86 HIS N N 120.967 . . 349 87 87 ALA H H 8.158 . . 350 87 87 ALA C C 179.075 . . 351 87 87 ALA CA C 54.519 . . 352 87 87 ALA CB C 17.530 . . 353 87 87 ALA N N 125.674 . . 354 88 88 ALA H H 7.748 . . 355 88 88 ALA C C 175.015 . . 356 88 88 ALA CA C 52.068 . . 357 88 88 ALA CB C 16.898 . . 358 88 88 ALA N N 119.516 . . 359 89 89 GLY H H 7.477 . . 360 89 89 GLY C C 173.317 . . 361 89 89 GLY CA C 44.458 . . 362 89 89 GLY N N 104.802 . . 363 90 90 PHE C C 175.328 . . 364 90 90 PHE CA C 56.785 . . 365 90 90 PHE CB C 39.208 . . 366 91 91 GLU H H 8.644 . . 367 91 91 GLU C C 174.765 . . 368 91 91 GLU CA C 55.494 . . 369 91 91 GLU CB C 30.142 . . 370 91 91 GLU N N 122.223 . . 371 92 92 PHE H H 8.250 . . 372 92 92 PHE C C 172.628 . . 373 92 92 PHE CA C 54.890 . . 374 92 92 PHE CB C 42.411 . . 375 92 92 PHE N N 114.310 . . 376 93 93 GLU C C 173.490 . . 377 93 93 GLU CA C 54.338 . . 378 93 93 GLU CB C 33.307 . . 379 94 94 VAL H H 8.718 . . 380 94 94 VAL C C 173.657 . . 381 94 94 VAL CA C 60.638 . . 382 94 94 VAL CB C 32.490 . . 383 94 94 VAL N N 122.959 . . 384 95 95 ALA C C 175.681 . . 385 95 95 ALA CA C 49.680 . . 386 96 96 THR H H 8.372 . . 387 96 96 THR C C 175.661 . . 388 96 96 THR CA C 58.075 . . 389 96 96 THR CB C 72.092 . . 390 96 96 THR N N 108.575 . . 391 97 97 ILE H H 10.289 . . 392 97 97 ILE C C 178.280 . . 393 97 97 ILE CA C 65.466 . . 394 97 97 ILE CB C 36.385 . . 395 97 97 ILE N N 123.596 . . 396 98 98 SER H H 7.879 . . 397 98 98 SER C C 177.454 . . 398 98 98 SER CA C 58.960 . . 399 98 98 SER CB C 64.259 . . 400 98 98 SER N N 108.996 . . 401 99 99 GLY H H 7.756 . . 402 99 99 GLY C C 172.802 . . 403 99 99 GLY CA C 44.600 . . 404 99 99 GLY N N 113.590 . . 405 100 100 LEU H H 8.311 . . 406 100 100 LEU C C 177.401 . . 407 100 100 LEU CA C 54.082 . . 408 100 100 LEU CB C 41.200 . . 409 100 100 LEU N N 120.272 . . 410 101 101 MET H H 8.594 . . 411 101 101 MET C C 175.260 . . 412 101 101 MET CA C 55.877 . . 413 101 101 MET CB C 33.859 . . 414 101 101 MET N N 114.221 . . 415 102 102 THR H H 7.639 . . 416 102 102 THR C C 175.397 . . 417 102 102 THR CA C 63.836 . . 418 102 102 THR CB C 69.208 . . 419 102 102 THR N N 118.547 . . 420 103 103 LYS H H 8.283 . . 421 103 103 LYS C C 174.363 . . 422 103 103 LYS CA C 51.546 . . 423 103 103 LYS CB C 30.632 . . 424 103 103 LYS N N 125.344 . . 425 104 104 PHE H H 7.592 . . 426 104 104 PHE C C 176.017 . . 427 104 104 PHE CA C 57.531 . . 428 104 104 PHE CB C 39.537 . . 429 104 104 PHE N N 120.694 . . 430 105 105 GLU H H 7.496 . . 431 105 105 GLU C C 175.929 . . 432 105 105 GLU CA C 52.832 . . 433 105 105 GLU CB C 26.154 . . 434 105 105 GLU N N 117.045 . . 435 106 106 TYR H H 8.205 . . 436 106 106 TYR C C 176.605 . . 437 106 106 TYR CA C 64.364 . . 438 106 106 TYR CB C 35.711 . . 439 106 106 TYR N N 124.050 . . 440 107 107 TRP H H 6.591 . . 441 107 107 TRP HE1 H 10.392 . . 442 107 107 TRP C C 176.172 . . 443 107 107 TRP CA C 54.199 . . 444 107 107 TRP CB C 26.423 . . 445 107 107 TRP N N 116.098 . . 446 107 107 TRP NE1 N 131.208 . . 447 108 108 ALA H H 6.846 . . 448 108 108 ALA C C 177.061 . . 449 108 108 ALA CA C 49.938 . . 450 108 108 ALA CB C 17.807 . . 451 108 108 ALA N N 121.066 . . 452 109 109 MET H H 7.304 . . 453 109 109 MET C C 175.279 . . 454 109 109 MET CA C 52.614 . . 455 109 109 MET CB C 32.411 . . 456 109 109 MET N N 121.789 . . 457 110 110 PRO C C 175.339 . . 458 110 110 PRO CA C 61.044 . . 459 110 110 PRO CB C 27.422 . . 460 111 111 HIS H H 7.539 . . 461 111 111 HIS C C 176.396 . . 462 111 111 HIS CA C 58.940 . . 463 111 111 HIS CB C 30.324 . . 464 111 111 HIS N N 118.900 . . 465 112 112 LYS H H 8.297 . . 466 112 112 LYS C C 175.718 . . 467 112 112 LYS CA C 54.486 . . 468 112 112 LYS CB C 31.002 . . 469 112 112 LYS N N 118.213 . . 470 113 113 ASP H H 8.043 . . 471 113 113 ASP C C 176.544 . . 472 113 113 ASP CA C 54.608 . . 473 113 113 ASP CB C 44.216 . . 474 113 113 ASP N N 122.677 . . 475 114 114 GLU H H 8.950 . . 476 114 114 GLU C C 175.991 . . 477 114 114 GLU CA C 57.538 . . 478 114 114 GLU CB C 28.912 . . 479 114 114 GLU N N 127.840 . . 480 115 115 LYS H H 8.485 . . 481 115 115 LYS C C 178.792 . . 482 115 115 LYS CA C 56.805 . . 483 115 115 LYS CB C 32.505 . . 484 115 115 LYS N N 116.705 . . 485 116 116 VAL H H 8.967 . . 486 116 116 VAL C C 177.039 . . 487 116 116 VAL CA C 66.258 . . 488 116 116 VAL CB C 31.620 . . 489 116 116 VAL N N 121.543 . . 490 117 117 MET H H 7.723 . . 491 117 117 MET C C 177.864 . . 492 117 117 MET CA C 57.548 . . 493 117 117 MET CB C 25.133 . . 494 117 117 MET N N 115.836 . . 495 118 118 PRO C C 179.086 . . 496 118 118 PRO CA C 65.659 . . 497 118 118 PRO CB C 30.125 . . 498 119 119 PHE H H 7.039 . . 499 119 119 PHE C C 177.709 . . 500 119 119 PHE CA C 61.242 . . 501 119 119 PHE CB C 39.003 . . 502 119 119 PHE N N 118.758 . . 503 120 120 PHE H H 8.830 . . 504 120 120 PHE C C 176.688 . . 505 120 120 PHE CA C 60.715 . . 506 120 120 PHE CB C 37.652 . . 507 120 120 PHE N N 121.419 . . 508 121 121 GLU H H 8.597 . . 509 121 121 GLU C C 179.548 . . 510 121 121 GLU CA C 59.076 . . 511 121 121 GLU CB C 28.390 . . 512 121 121 GLU N N 117.143 . . 513 122 122 GLN H H 8.006 . . 514 122 122 GLN C C 177.284 . . 515 122 122 GLN CA C 57.445 . . 516 122 122 GLN CB C 27.378 . . 517 122 122 GLN N N 116.997 . . 518 123 123 HIS H H 7.145 . . 519 123 123 HIS C C 175.798 . . 520 123 123 HIS CA C 56.449 . . 521 123 123 HIS CB C 29.097 . . 522 123 123 HIS N N 114.229 . . 523 124 124 LYS H H 7.529 . . 524 124 124 LYS C C 178.686 . . 525 124 124 LYS CA C 60.492 . . 526 124 124 LYS CB C 30.667 . . 527 124 124 LYS N N 123.678 . . 528 125 125 SER H H 8.609 . . 529 125 125 SER C C 176.517 . . 530 125 125 SER CA C 61.182 . . 531 125 125 SER CB C 61.661 . . 532 125 125 SER N N 114.246 . . 533 126 126 LEU H H 7.590 . . 534 126 126 LEU C C 178.504 . . 535 126 126 LEU CA C 57.115 . . 536 126 126 LEU CB C 40.254 . . 537 126 126 LEU N N 121.005 . . 538 127 127 PHE H H 6.849 . . 539 127 127 PHE C C 178.093 . . 540 127 127 PHE CA C 60.206 . . 541 127 127 PHE CB C 38.581 . . 542 127 127 PHE N N 112.447 . . 543 128 128 ARG H H 8.258 . . 544 128 128 ARG C C 175.336 . . 545 128 128 ARG CA C 57.223 . . 546 128 128 ARG CB C 30.694 . . 547 128 128 ARG N N 119.627 . . 548 129 129 ASN H H 7.294 . . 549 129 129 ASN C C 171.005 . . 550 129 129 ASN CA C 50.433 . . 551 129 129 ASN CB C 38.829 . . 552 129 129 ASN N N 115.668 . . 553 130 130 PRO C C 176.889 . . 554 130 130 PRO CA C 62.701 . . 555 130 130 PRO CB C 32.494 . . 556 131 131 LYS H H 8.665 . . 557 131 131 LYS C C 175.907 . . 558 131 131 LYS CA C 55.283 . . 559 131 131 LYS CB C 32.945 . . 560 131 131 LYS N N 117.758 . . 561 132 132 LYS H H 8.667 . . 562 132 132 LYS C C 179.076 . . 563 132 132 LYS CA C 55.321 . . 564 132 132 LYS CB C 31.906 . . 565 132 132 LYS N N 121.941 . . 566 133 133 LEU H H 8.706 . . 567 133 133 LEU C C 177.812 . . 568 133 133 LEU CA C 58.271 . . 569 133 133 LEU CB C 39.812 . . 570 133 133 LEU N N 129.582 . . 571 134 134 ALA H H 9.628 . . 572 134 134 ALA C C 179.847 . . 573 134 134 ALA CA C 55.038 . . 574 134 134 ALA CB C 18.435 . . 575 134 134 ALA N N 121.309 . . 576 135 135 ASP H H 7.164 . . 577 135 135 ASP C C 178.693 . . 578 135 135 ASP CA C 56.327 . . 579 135 135 ASP CB C 39.358 . . 580 135 135 ASP N N 116.442 . . 581 136 136 VAL H H 7.223 . . 582 136 136 VAL C C 179.634 . . 583 136 136 VAL CA C 64.955 . . 584 136 136 VAL CB C 31.102 . . 585 136 136 VAL N N 120.587 . . 586 137 137 VAL H H 8.478 . . 587 137 137 VAL C C 177.955 . . 588 137 137 VAL CA C 64.924 . . 589 137 137 VAL CB C 30.544 . . 590 137 137 VAL N N 117.869 . . 591 138 138 ALA H H 7.453 . . 592 138 138 ALA C C 178.261 . . 593 138 138 ALA CA C 53.946 . . 594 138 138 ALA CB C 17.506 . . 595 138 138 ALA N N 120.804 . . 596 139 139 SER H H 7.171 . . 597 139 139 SER C C 174.096 . . 598 139 139 SER CA C 57.281 . . 599 139 139 SER CB C 64.280 . . 600 139 139 SER N N 110.443 . . 601 140 140 LEU H H 6.998 . . 602 140 140 LEU C C 177.208 . . 603 140 140 LEU CA C 54.879 . . 604 140 140 LEU CB C 39.611 . . 605 140 140 LEU N N 122.443 . . 606 141 141 ASN H H 9.140 . . 607 141 141 ASN C C 176.930 . . 608 141 141 ASN CA C 52.179 . . 609 141 141 ASN CB C 39.527 . . 610 141 141 ASN N N 120.362 . . 611 142 142 ALA C C 178.113 . . 612 142 142 ALA CA C 55.328 . . 613 142 142 ALA CB C 18.002 . . 614 143 143 ASP H H 8.198 . . 615 143 143 ASP C C 177.080 . . 616 143 143 ASP CA C 53.446 . . 617 143 143 ASP CB C 41.174 . . 618 143 143 ASP N N 114.151 . . 619 144 144 SER H H 7.817 . . 620 144 144 SER C C 175.677 . . 621 144 144 SER CA C 61.475 . . 622 144 144 SER CB C 62.997 . . 623 144 144 SER N N 118.439 . . 624 145 145 GLU H H 8.687 . . 625 145 145 GLU C C 176.214 . . 626 145 145 GLU CA C 55.387 . . 627 145 145 GLU CB C 26.480 . . 628 145 145 GLU N N 126.813 . . 629 146 146 TYR H H 7.445 . . 630 146 146 TYR C C 175.279 . . 631 146 146 TYR CA C 56.466 . . 632 146 146 TYR CB C 38.841 . . 633 146 146 TYR N N 118.653 . . 634 147 147 ALA H H 9.680 . . 635 147 147 ALA C C 177.057 . . 636 147 147 ALA CA C 51.978 . . 637 147 147 ALA CB C 21.229 . . 638 147 147 ALA N N 126.035 . . 639 152 152 PRO C C 173.919 . . 640 152 152 PRO CA C 61.297 . . 641 152 152 PRO CB C 31.971 . . 642 153 153 GLY H H 5.987 . . 643 153 153 GLY C C 178.962 . . 644 153 153 GLY CA C 46.663 . . 645 153 153 GLY N N 103.634 . . 646 154 154 GLY H H 7.830 . . 647 154 154 GLY C C 174.942 . . 648 154 154 GLY CA C 45.785 . . 649 154 154 GLY N N 112.917 . . 650 155 155 HIS H H 7.381 . . 651 155 155 HIS C C 176.405 . . 652 155 155 HIS CA C 62.059 . . 653 155 155 HIS CB C 29.069 . . 654 155 155 HIS N N 118.208 . . 655 156 156 GLY H H 8.396 . . 656 156 156 GLY C C 174.301 . . 657 156 156 GLY CA C 44.972 . . 658 156 156 GLY N N 106.972 . . 659 157 157 ALA H H 6.887 . . 660 157 157 ALA C C 175.010 . . 661 157 157 ALA CA C 52.954 . . 662 157 157 ALA CB C 17.299 . . 663 157 157 ALA N N 120.383 . . 664 158 158 LEU H H 6.953 . . 665 158 158 LEU C C 176.885 . . 666 158 158 LEU CA C 54.623 . . 667 158 158 LEU CB C 40.990 . . 668 158 158 LEU N N 109.064 . . 669 159 159 ILE H H 7.446 . . 670 159 159 ILE C C 178.183 . . 671 159 159 ILE CA C 60.962 . . 672 159 159 ILE CB C 37.130 . . 673 159 159 ILE N N 120.056 . . 674 160 160 GLY H H 9.083 . . 675 160 160 GLY C C 176.501 . . 676 160 160 GLY CA C 46.883 . . 677 160 160 GLY N N 119.348 . . 678 161 161 LEU H H 8.235 . . 679 161 161 LEU C C 174.595 . . 680 161 161 LEU CA C 60.639 . . 681 161 161 LEU CB C 38.147 . . 682 161 161 LEU N N 125.259 . . 683 162 162 PRO C C 174.915 . . 684 162 162 PRO CA C 64.462 . . 685 162 162 PRO CB C 31.297 . . 686 163 163 GLU H H 6.928 . . 687 163 163 GLU C C 177.124 . . 688 163 163 GLU CA C 53.198 . . 689 163 163 GLU CB C 30.377 . . 690 163 163 GLU N N 109.512 . . 691 164 164 SER H H 7.068 . . 692 164 164 SER C C 176.172 . . 693 164 164 SER CA C 57.013 . . 694 164 164 SER CB C 63.337 . . 695 164 164 SER N N 114.073 . . 696 165 165 GLN H H 9.307 . . 697 165 165 GLN C C 178.098 . . 698 165 165 GLN CA C 57.785 . . 699 165 165 GLN CB C 27.161 . . 700 165 165 GLN N N 130.643 . . 701 166 166 ASP H H 7.653 . . 702 166 166 ASP C C 177.150 . . 703 166 166 ASP CA C 57.250 . . 704 166 166 ASP CB C 40.360 . . 705 166 166 ASP N N 120.418 . . 706 167 167 VAL H H 7.447 . . 707 167 167 VAL C C 177.735 . . 708 167 167 VAL CA C 66.270 . . 709 167 167 VAL CB C 30.398 . . 710 167 167 VAL N N 121.673 . . 711 168 168 ALA H H 7.729 . . 712 168 168 ALA C C 178.749 . . 713 168 168 ALA CA C 55.149 . . 714 168 168 ALA CB C 16.894 . . 715 168 168 ALA N N 120.423 . . 716 169 169 ALA H H 7.907 . . 717 169 169 ALA C C 181.124 . . 718 169 169 ALA CA C 54.466 . . 719 169 169 ALA CB C 17.993 . . 720 169 169 ALA N N 118.633 . . 721 172 172 GLN C C 178.313 . . 722 172 172 GLN CA C 59.273 . . 723 172 172 GLN CB C 27.437 . . 724 173 173 TRP H H 7.998 . . 725 173 173 TRP HE1 H 9.298 . . 726 173 173 TRP C C 177.113 . . 727 173 173 TRP CA C 61.747 . . 728 173 173 TRP CB C 27.052 . . 729 173 173 TRP N N 119.236 . . 730 173 173 TRP NE1 N 129.265 . . 731 174 174 ALA H H 8.458 . . 732 174 174 ALA CA C 55.674 . . 733 174 174 ALA N N 124.443 . . 734 175 175 ILE C C 180.611 . . 735 175 175 ILE CA C 61.718 . . 736 175 175 ILE CB C 35.696 . . 737 176 176 LYS H H 8.056 . . 738 176 176 LYS C C 177.275 . . 739 176 176 LYS CA C 58.397 . . 740 176 176 LYS CB C 31.058 . . 741 176 176 LYS N N 120.161 . . 742 177 177 ASN H H 7.096 . . 743 177 177 ASN C C 172.916 . . 744 177 177 ASN CA C 53.027 . . 745 177 177 ASN CB C 37.109 . . 746 177 177 ASN N N 113.470 . . 747 178 178 ASP H H 7.512 . . 748 178 178 ASP C C 174.106 . . 749 178 178 ASP CA C 55.038 . . 750 178 178 ASP CB C 39.194 . . 751 178 178 ASP N N 119.427 . . 752 179 179 ARG H H 8.286 . . 753 179 179 ARG C C 174.838 . . 754 179 179 ARG CA C 51.584 . . 755 179 179 ARG CB C 29.255 . . 756 179 179 ARG N N 114.565 . . 757 180 180 PHE H H 7.371 . . 758 180 180 PHE C C 176.009 . . 759 180 180 PHE CA C 57.669 . . 760 180 180 PHE CB C 40.701 . . 761 180 180 PHE N N 114.524 . . 762 182 182 ILE C C 176.274 . . 763 182 182 ILE CA C 58.364 . . 764 183 183 SER H H 9.194 . . 765 183 183 SER C C 171.637 . . 766 183 183 SER CA C 56.934 . . 767 183 183 SER N N 118.478 . . 768 184 184 LEU H H 7.307 . . 769 184 184 LEU C C 174.800 . . 770 184 184 LEU CA C 54.560 . . 771 184 184 LEU CB C 41.823 . . 772 184 184 LEU N N 116.594 . . 773 185 185 CYS H H 8.162 . . 774 185 185 CYS C C 176.193 . . 775 185 185 CYS CA C 60.499 . . 776 185 185 CYS CB C 26.438 . . 777 185 185 CYS N N 123.173 . . 778 186 186 HIS H H 8.951 . . 779 186 186 HIS C C 173.588 . . 780 186 186 HIS CA C 56.657 . . 781 186 186 HIS CB C 26.817 . . 782 186 186 HIS N N 128.437 . . 783 187 187 GLY H H 8.642 . . 784 187 187 GLY C C 173.233 . . 785 187 187 GLY CA C 47.983 . . 786 187 187 GLY N N 110.894 . . 787 188 188 PRO C C 175.666 . . 788 188 188 PRO CA C 63.029 . . 789 188 188 PRO CB C 31.847 . . 790 189 189 ALA H H 7.659 . . 791 189 189 ALA C C 179.618 . . 792 189 189 ALA CA C 54.829 . . 793 189 189 ALA CB C 17.838 . . 794 189 189 ALA N N 120.744 . . 795 190 190 ALA H H 8.186 . . 796 190 190 ALA C C 178.227 . . 797 190 190 ALA CA C 53.807 . . 798 190 190 ALA CB C 18.450 . . 799 190 190 ALA N N 116.903 . . 800 191 191 PHE H H 7.664 . . 801 191 191 PHE C C 177.346 . . 802 191 191 PHE CA C 55.221 . . 803 191 191 PHE CB C 34.931 . . 804 191 191 PHE N N 113.963 . . 805 192 192 LEU H H 7.650 . . 806 192 192 LEU C C 178.816 . . 807 192 192 LEU CA C 56.019 . . 808 192 192 LEU CB C 39.785 . . 809 192 192 LEU N N 116.806 . . 810 193 193 ALA H H 7.987 . . 811 193 193 ALA C C 179.400 . . 812 193 193 ALA CA C 54.446 . . 813 193 193 ALA CB C 17.095 . . 814 193 193 ALA N N 126.318 . . 815 194 194 LEU H H 7.588 . . 816 194 194 LEU C C 177.919 . . 817 194 194 LEU CA C 54.963 . . 818 194 194 LEU CB C 40.615 . . 819 194 194 LEU N N 114.995 . . 820 195 195 ARG H H 7.357 . . 821 195 195 ARG C C 176.371 . . 822 195 195 ARG CA C 58.118 . . 823 195 195 ARG CB C 29.261 . . 824 195 195 ARG N N 116.655 . . 825 196 196 HIS H H 7.646 . . 826 196 196 HIS C C 175.294 . . 827 196 196 HIS CA C 55.591 . . 828 196 196 HIS CB C 29.402 . . 829 196 196 HIS N N 117.627 . . 830 197 197 GLY H H 7.430 . . 831 197 197 GLY C C 172.985 . . 832 197 197 GLY CA C 44.710 . . 833 197 197 GLY N N 109.625 . . 834 198 198 ASP H H 8.269 . . 835 198 198 ASP C C 175.760 . . 836 198 198 ASP CA C 54.896 . . 837 198 198 ASP CB C 40.271 . . 838 198 198 ASP N N 123.772 . . 839 199 199 ASN H H 8.409 . . 840 199 199 ASN C C 174.657 . . 841 199 199 ASN CA C 50.145 . . 842 199 199 ASN CB C 37.812 . . 843 199 199 ASN N N 118.732 . . 844 200 200 PRO C C 176.237 . . 845 200 200 PRO CA C 62.856 . . 846 200 200 PRO CB C 31.152 . . 847 201 201 LEU H H 7.377 . . 848 201 201 LEU C C 176.225 . . 849 201 201 LEU CA C 54.076 . . 850 201 201 LEU CB C 39.826 . . 851 201 201 LEU N N 117.352 . . 852 202 202 ASN H H 6.812 . . 853 202 202 ASN C C 177.265 . . 854 202 202 ASN CA C 55.389 . . 855 202 202 ASN CB C 38.239 . . 856 202 202 ASN N N 119.197 . . 857 203 203 GLY H H 8.475 . . 858 203 203 GLY C C 174.692 . . 859 203 203 GLY CA C 45.354 . . 860 203 203 GLY N N 115.434 . . 861 204 204 TYR H H 7.959 . . 862 204 204 TYR C C 176.004 . . 863 204 204 TYR CA C 58.254 . . 864 204 204 TYR CB C 38.952 . . 865 204 204 TYR N N 121.532 . . 866 205 205 SER H H 9.794 . . 867 205 205 SER C C 173.613 . . 868 205 205 SER CA C 57.148 . . 869 205 205 SER CB C 64.737 . . 870 205 205 SER N N 117.538 . . 871 206 206 ILE H H 8.758 . . 872 206 206 ILE C C 175.084 . . 873 206 206 ILE CA C 58.421 . . 874 206 206 ILE CB C 42.126 . . 875 206 206 ILE N N 113.646 . . 876 207 207 CYS H H 8.848 . . 877 207 207 CYS C C 172.158 . . 878 207 207 CYS CA C 56.791 . . 879 207 207 CYS CB C 29.625 . . 880 207 207 CYS N N 117.199 . . 881 208 208 ALA H H 8.222 . . 882 208 208 ALA C C 175.425 . . 883 208 208 ALA CA C 50.258 . . 884 208 208 ALA CB C 21.167 . . 885 208 208 ALA N N 116.015 . . 886 209 209 PHE H H 7.785 . . 887 209 209 PHE C C 173.878 . . 888 209 209 PHE CA C 56.936 . . 889 209 209 PHE CB C 38.860 . . 890 209 209 PHE N N 125.806 . . 891 210 210 PRO C C 177.964 . . 892 210 210 PRO CA C 62.606 . . 893 210 210 PRO CB C 31.035 . . 894 211 211 ASP H H 8.213 . . 895 211 211 ASP C C 178.647 . . 896 211 211 ASP CA C 57.349 . . 897 211 211 ASP CB C 40.502 . . 898 211 211 ASP N N 127.620 . . 899 212 212 ALA H H 8.527 . . 900 212 212 ALA C C 180.635 . . 901 212 212 ALA CA C 54.646 . . 902 212 212 ALA CB C 17.773 . . 903 212 212 ALA N N 117.254 . . 904 213 213 ALA H H 7.241 . . 905 213 213 ALA C C 180.944 . . 906 213 213 ALA CA C 54.386 . . 907 213 213 ALA CB C 18.124 . . 908 213 213 ALA N N 118.525 . . 909 214 214 ASP H H 7.610 . . 910 214 214 ASP C C 178.591 . . 911 214 214 ASP CA C 57.053 . . 912 214 214 ASP CB C 41.214 . . 913 214 214 ASP N N 119.759 . . 914 215 215 LYS H H 7.686 . . 915 215 215 LYS C C 176.731 . . 916 215 215 LYS CA C 58.608 . . 917 215 215 LYS CB C 31.966 . . 918 215 215 LYS N N 117.177 . . 919 216 216 GLN H H 7.492 . . 920 216 216 GLN C C 177.833 . . 921 216 216 GLN CA C 56.360 . . 922 216 216 GLN CB C 29.819 . . 923 216 216 GLN N N 116.900 . . 924 217 217 THR H H 8.156 . . 925 217 217 THR C C 176.938 . . 926 217 217 THR CA C 66.163 . . 927 217 217 THR CB C 68.310 . . 928 217 217 THR N N 114.224 . . 929 218 218 PRO C C 179.770 . . 930 218 218 PRO CA C 66.275 . . 931 218 218 PRO CB C 29.786 . . 932 219 219 GLU H H 7.919 . . 933 219 219 GLU C C 178.431 . . 934 219 219 GLU CA C 58.179 . . 935 219 219 GLU CB C 28.532 . . 936 219 219 GLU N N 115.644 . . 937 220 220 ILE H H 7.181 . . 938 220 220 ILE C C 175.791 . . 939 220 220 ILE CA C 60.139 . . 940 220 220 ILE CB C 37.309 . . 941 220 220 ILE N N 108.198 . . 942 221 221 GLY H H 7.918 . . 943 221 221 GLY C C 174.349 . . 944 221 221 GLY CA C 45.581 . . 945 221 221 GLY N N 110.014 . . 946 222 222 TYR H H 7.613 . . 947 222 222 TYR C C 171.465 . . 948 222 222 TYR CA C 60.492 . . 949 222 222 TYR CB C 38.979 . . 950 222 222 TYR N N 122.278 . . 951 223 223 MET H H 5.896 . . 952 223 223 MET C C 176.360 . . 953 223 223 MET CA C 51.100 . . 954 223 223 MET CB C 35.359 . . 955 223 223 MET N N 102.804 . . 956 224 224 PRO C C 173.260 . . 957 224 224 PRO CA C 62.668 . . 958 224 224 PRO CB C 30.406 . . 959 225 225 GLY H H 6.919 . . 960 225 225 GLY C C 170.155 . . 961 225 225 GLY CA C 43.505 . . 962 225 225 GLY N N 108.686 . . 963 226 226 HIS H H 8.061 . . 964 226 226 HIS C C 176.270 . . 965 226 226 HIS CA C 55.780 . . 966 226 226 HIS CB C 30.763 . . 967 226 226 HIS N N 114.561 . . 968 227 227 LEU H H 8.354 . . 969 227 227 LEU C C 177.363 . . 970 227 227 LEU CA C 54.224 . . 971 227 227 LEU CB C 40.137 . . 972 227 227 LEU N N 118.570 . . 973 228 228 THR H H 8.690 . . 974 228 228 THR C C 174.414 . . 975 228 228 THR CA C 62.091 . . 976 228 228 THR CB C 68.843 . . 977 228 228 THR N N 107.904 . . 978 229 229 TRP H H 7.165 . . 979 229 229 TRP HE1 H 10.107 . . 980 229 229 TRP C C 172.641 . . 981 229 229 TRP CA C 55.337 . . 982 229 229 TRP CB C 28.339 . . 983 229 229 TRP N N 117.914 . . 984 229 229 TRP NE1 N 129.064 . . 985 230 230 TYR H H 8.709 . . 986 230 230 TYR C C 176.739 . . 987 230 230 TYR CA C 57.956 . . 988 230 230 TYR CB C 38.540 . . 989 230 230 TYR N N 119.212 . . 990 231 231 PHE H H 9.660 . . 991 231 231 PHE C C 175.894 . . 992 231 231 PHE CA C 59.763 . . 993 231 231 PHE CB C 38.230 . . 994 231 231 PHE N N 126.132 . . 995 232 232 GLY H H 9.586 . . 996 232 232 GLY C C 177.015 . . 997 232 232 GLY CA C 46.840 . . 998 232 232 GLY N N 119.351 . . 999 233 233 GLU H H 7.997 . . 1000 233 233 GLU C C 179.866 . . 1001 233 233 GLU CA C 58.321 . . 1002 233 233 GLU CB C 28.726 . . 1003 233 233 GLU N N 121.996 . . 1004 234 234 GLU H H 7.320 . . 1005 234 234 GLU C C 179.790 . . 1006 234 234 GLU CA C 57.792 . . 1007 234 234 GLU CB C 28.787 . . 1008 234 234 GLU N N 116.984 . . 1009 235 235 LEU H H 8.840 . . 1010 235 235 LEU C C 179.972 . . 1011 235 235 LEU CA C 57.622 . . 1012 235 235 LEU CB C 41.056 . . 1013 235 235 LEU N N 124.693 . . 1014 236 236 LYS H H 8.089 . . 1015 236 236 LYS C C 181.524 . . 1016 236 236 LYS CA C 58.887 . . 1017 236 236 LYS CB C 31.127 . . 1018 236 236 LYS N N 119.950 . . 1019 237 237 LYS H H 7.508 . . 1020 237 237 LYS C C 177.728 . . 1021 237 237 LYS CA C 58.814 . . 1022 237 237 LYS CB C 31.517 . . 1023 237 237 LYS N N 120.516 . . 1024 238 238 MET H H 7.444 . . 1025 238 238 MET C C 175.256 . . 1026 238 238 MET CA C 54.998 . . 1027 238 238 MET CB C 33.218 . . 1028 238 238 MET N N 118.046 . . 1029 239 239 GLY H H 7.442 . . 1030 239 239 GLY C C 176.049 . . 1031 239 239 GLY CA C 45.010 . . 1032 239 239 GLY N N 103.866 . . 1033 240 240 MET H H 7.713 . . 1034 240 240 MET C C 174.338 . . 1035 240 240 MET CA C 55.467 . . 1036 240 240 MET CB C 33.042 . . 1037 240 240 MET N N 119.470 . . 1038 241 241 ASN H H 8.570 . . 1039 241 241 ASN C C 173.763 . . 1040 241 241 ASN CA C 51.457 . . 1041 241 241 ASN CB C 39.336 . . 1042 241 241 ASN N N 119.882 . . 1043 242 242 ILE H H 8.130 . . 1044 242 242 ILE C C 177.699 . . 1045 242 242 ILE CA C 60.209 . . 1046 242 242 ILE CB C 36.718 . . 1047 242 242 ILE N N 125.874 . . 1048 243 243 ILE H H 8.622 . . 1049 243 243 ILE C C 174.929 . . 1050 243 243 ILE CA C 62.218 . . 1051 243 243 ILE CB C 37.084 . . 1052 243 243 ILE N N 122.073 . . 1053 244 244 ASN H H 8.172 . . 1054 244 244 ASN C C 173.159 . . 1055 244 244 ASN CA C 52.013 . . 1056 244 244 ASN CB C 41.330 . . 1057 244 244 ASN N N 116.468 . . 1058 245 245 ASP H H 8.576 . . 1059 245 245 ASP C C 174.548 . . 1060 245 245 ASP CA C 52.558 . . 1061 245 245 ASP CB C 41.157 . . 1062 245 245 ASP N N 119.337 . . 1063 246 246 ASP H H 7.934 . . 1064 246 246 ASP C C 174.502 . . 1065 246 246 ASP CA C 51.115 . . 1066 246 246 ASP CB C 42.254 . . 1067 246 246 ASP N N 118.850 . . 1068 247 247 ILE H H 8.221 . . 1069 247 247 ILE C C 175.786 . . 1070 247 247 ILE CA C 61.020 . . 1071 247 247 ILE CB C 38.228 . . 1072 247 247 ILE N N 119.659 . . 1073 248 248 THR H H 9.364 . . 1074 248 248 THR C C 175.526 . . 1075 248 248 THR CA C 60.892 . . 1076 248 248 THR CB C 72.569 . . 1077 248 248 THR N N 115.872 . . 1078 249 249 GLY H H 8.978 . . 1079 249 249 GLY C C 172.970 . . 1080 249 249 GLY CA C 44.771 . . 1081 249 249 GLY N N 113.735 . . 1082 250 250 ARG H H 7.404 . . 1083 250 250 ARG C C 174.595 . . 1084 250 250 ARG CA C 56.302 . . 1085 250 250 ARG CB C 31.306 . . 1086 250 250 ARG N N 123.025 . . 1087 251 251 VAL H H 7.771 . . 1088 251 251 VAL C C 175.277 . . 1089 251 251 VAL CA C 58.145 . . 1090 251 251 VAL CB C 34.249 . . 1091 251 251 VAL N N 114.591 . . 1092 252 252 HIS H H 9.237 . . 1093 252 252 HIS C C 171.395 . . 1094 252 252 HIS CA C 55.850 . . 1095 252 252 HIS CB C 35.446 . . 1096 252 252 HIS N N 121.421 . . 1097 253 253 LYS H H 6.879 . . 1098 253 253 LYS C C 173.793 . . 1099 253 253 LYS CA C 53.500 . . 1100 253 253 LYS CB C 35.228 . . 1101 253 253 LYS N N 125.202 . . 1102 254 254 ASP H H 8.370 . . 1103 254 254 ASP C C 175.238 . . 1104 254 254 ASP CA C 53.033 . . 1105 254 254 ASP CB C 41.981 . . 1106 254 254 ASP N N 125.385 . . 1107 255 255 ARG H H 8.838 . . 1108 255 255 ARG C C 175.724 . . 1109 255 255 ARG CA C 58.493 . . 1110 255 255 ARG CB C 26.514 . . 1111 255 255 ARG N N 121.037 . . 1112 256 256 LYS H H 8.002 . . 1113 256 256 LYS C C 173.235 . . 1114 256 256 LYS CA C 55.781 . . 1115 256 256 LYS CB C 30.830 . . 1116 256 256 LYS N N 121.714 . . 1117 257 257 LEU H H 8.464 . . 1118 257 257 LEU C C 176.112 . . 1119 257 257 LEU CA C 53.715 . . 1120 257 257 LEU CB C 41.941 . . 1121 257 257 LEU N N 122.886 . . 1122 258 258 LEU H H 9.270 . . 1123 258 258 LEU C C 176.252 . . 1124 258 258 LEU CA C 52.716 . . 1125 258 258 LEU CB C 41.921 . . 1126 258 258 LEU N N 131.545 . . 1127 259 259 THR H H 9.209 . . 1128 259 259 THR C C 174.703 . . 1129 259 259 THR CA C 58.463 . . 1130 259 259 THR CB C 73.815 . . 1131 259 259 THR N N 111.133 . . 1132 260 260 GLY H H 7.335 . . 1133 260 260 GLY C C 174.816 . . 1134 260 260 GLY CA C 44.005 . . 1135 260 260 GLY N N 101.177 . . 1136 261 261 ASP H H 8.056 . . 1137 261 261 ASP C C 176.406 . . 1138 261 261 ASP CA C 56.767 . . 1139 261 261 ASP CB C 41.929 . . 1140 261 261 ASP N N 119.772 . . 1141 262 262 SER H H 7.197 . . 1142 262 262 SER CA C 59.556 . . 1143 262 262 SER CB C 61.328 . . 1144 262 262 SER N N 108.895 . . 1145 263 263 PRO C C 177.358 . . 1146 263 263 PRO CA C 65.666 . . 1147 263 263 PRO CB C 30.721 . . 1148 264 264 PHE H H 6.969 . . 1149 264 264 PHE C C 176.205 . . 1150 264 264 PHE CA C 57.581 . . 1151 264 264 PHE CB C 36.880 . . 1152 264 264 PHE N N 112.550 . . 1153 265 265 ALA H H 7.686 . . 1154 265 265 ALA C C 176.442 . . 1155 265 265 ALA CA C 50.916 . . 1156 265 265 ALA CB C 20.174 . . 1157 265 265 ALA N N 119.982 . . 1158 266 266 ALA H H 7.130 . . 1159 266 266 ALA C C 178.054 . . 1160 266 266 ALA CA C 56.768 . . 1161 266 266 ALA CB C 20.082 . . 1162 266 266 ALA N N 120.758 . . 1163 267 267 ASN H H 9.459 . . 1164 267 267 ASN C C 176.792 . . 1165 267 267 ASN CA C 58.056 . . 1166 267 267 ASN CB C 38.909 . . 1167 267 267 ASN N N 118.010 . . 1168 268 268 ALA H H 8.504 . . 1169 268 268 ALA C C 180.610 . . 1170 268 268 ALA CA C 54.278 . . 1171 268 268 ALA CB C 17.651 . . 1172 268 268 ALA N N 120.677 . . 1173 269 269 LEU H H 8.775 . . 1174 269 269 LEU C C 178.013 . . 1175 269 269 LEU CA C 56.424 . . 1176 269 269 LEU CB C 41.076 . . 1177 269 269 LEU N N 120.465 . . 1178 270 270 GLY H H 7.885 . . 1179 270 270 GLY C C 173.143 . . 1180 270 270 GLY CA C 47.969 . . 1181 270 270 GLY N N 106.717 . . 1182 271 271 LYS H H 7.270 . . 1183 271 271 LYS C C 178.759 . . 1184 271 271 LYS CA C 58.911 . . 1185 271 271 LYS CB C 31.189 . . 1186 271 271 LYS N N 119.046 . . 1187 272 272 LEU H H 7.786 . . 1188 272 272 LEU C C 177.704 . . 1189 272 272 LEU CA C 57.340 . . 1190 272 272 LEU CB C 41.466 . . 1191 272 272 LEU N N 120.186 . . 1192 273 273 ALA H H 8.703 . . 1193 273 273 ALA C C 178.290 . . 1194 273 273 ALA CA C 54.241 . . 1195 273 273 ALA N N 118.500 . . 1196 274 274 ALA H H 8.193 . . 1197 274 274 ALA C C 178.934 . . 1198 274 274 ALA CA C 55.681 . . 1199 274 274 ALA CB C 17.012 . . 1200 274 274 ALA N N 119.234 . . 1201 275 275 GLN H H 8.012 . . 1202 275 275 GLN C C 180.256 . . 1203 275 275 GLN CA C 58.995 . . 1204 275 275 GLN CB C 27.983 . . 1205 275 275 GLN N N 115.196 . . 1206 276 276 GLU H H 8.443 . . 1207 276 276 GLU C C 179.702 . . 1208 276 276 GLU CA C 58.130 . . 1209 276 276 GLU CB C 28.998 . . 1210 276 276 GLU N N 118.275 . . 1211 277 277 MET H H 8.483 . . 1212 277 277 MET C C 178.981 . . 1213 277 277 MET CA C 59.445 . . 1214 277 277 MET N N 120.202 . . 1215 278 278 LEU H H 8.639 . . 1216 278 278 LEU C C 180.424 . . 1217 278 278 LEU CA C 57.901 . . 1218 278 278 LEU CB C 40.334 . . 1219 278 278 LEU N N 119.940 . . 1220 279 279 ALA H H 7.427 . . 1221 279 279 ALA C C 179.840 . . 1222 279 279 ALA CA C 54.361 . . 1223 279 279 ALA CB C 17.112 . . 1224 279 279 ALA N N 119.879 . . 1225 280 280 ALA H H 7.553 . . 1226 280 280 ALA C C 179.107 . . 1227 280 280 ALA CA C 53.612 . . 1228 280 280 ALA CB C 18.246 . . 1229 280 280 ALA N N 118.897 . . 1230 281 281 TYR H H 7.983 . . 1231 281 281 TYR C C 176.053 . . 1232 281 281 TYR CA C 59.290 . . 1233 281 281 TYR CB C 38.441 . . 1234 281 281 TYR N N 115.038 . . 1235 282 282 ALA H H 8.001 . . 1236 282 282 ALA C C 177.066 . . 1237 282 282 ALA CA C 52.652 . . 1238 282 282 ALA CB C 19.036 . . 1239 282 282 ALA N N 124.439 . . 1240 283 283 GLY H H 7.839 . . 1241 283 283 GLY C C 179.194 . . 1242 283 283 GLY CA C 45.913 . . 1243 283 283 GLY N N 114.333 . . stop_ save_