data_26590 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 15N, 13C and 1H backbone resonance assignments of cTEM-19m ; _BMRB_accession_number 26590 _BMRB_flat_file_name bmr26590.str _Entry_type original _Submission_date 2015-06-17 _Accession_date 2015-06-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'TEM-1/PSE-4 Chimera' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gobeil Sophie M.C. . 2 Gagne Donald . . 3 Doucet Nicolas . . 4 Pelletier Joelle N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 229 "13C chemical shifts" 419 "15N chemical shifts" 229 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-12 update BMRB 'update entry citation' 2015-12-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16598 'Chimera cTEM-17m' 6024 'Parent TEM-1' stop_ _Original_release_date 2015-12-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 15N, 13C and 1H backbone resonance assignments of an artificially engineered TEM-1/PSE-4 class A beta-lactamase chimera and its deconvoluted mutant ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26386961 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gobeil Sophie M.C. . 2 Gagne Donald . . 3 Doucet Nicolas . . 4 Pelletier Joelle N. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 93 _Page_last 99 _Year 2016 _Details . loop_ _Keyword PSE-4 TEM-1 b-lactamases 'protein engineering' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name cTEM-19m _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label cTEM-19m $cTEM-19m stop_ _System_molecular_weight 28791 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cTEM-19m _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common cTEM-19m _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 263 _Mol_residue_sequence ; HPETLVKVKDAEDQLGARVG YIELDLNSGKILESFRPEER FPLTSTFKVLLCGAVLSRVD AGQEQLGRRIHYSQNDLVEY SPVTEKHLTDGMTVRELCSA AITMSDNTAANLLLTTIGGP KELTDFLRQIGDKETRLDRI EPDLNEGKLGDLRDTTTPKA IASTLRKLLTGELLTLASRQ QLIDWMEADKVAGPLLRSAL PAGWFIADKSGAGERGSRGI IAALGPDGKPSRIVVIYTTG SQATMDERNRQIAEIGASLI KHW ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 HIS 2 2 PRO 3 3 GLU 4 4 THR 5 5 LEU 6 6 VAL 7 7 LYS 8 8 VAL 9 9 LYS 10 10 ASP 11 11 ALA 12 12 GLU 13 13 ASP 14 14 GLN 15 15 LEU 16 16 GLY 17 17 ALA 18 18 ARG 19 19 VAL 20 20 GLY 21 21 TYR 22 22 ILE 23 23 GLU 24 24 LEU 25 25 ASP 26 26 LEU 27 27 ASN 28 28 SER 29 29 GLY 30 30 LYS 31 31 ILE 32 32 LEU 33 33 GLU 34 34 SER 35 35 PHE 36 36 ARG 37 37 PRO 38 38 GLU 39 39 GLU 40 40 ARG 41 41 PHE 42 42 PRO 43 43 LEU 44 44 THR 45 45 SER 46 46 THR 47 47 PHE 48 48 LYS 49 49 VAL 50 50 LEU 51 51 LEU 52 52 CYS 53 53 GLY 54 54 ALA 55 55 VAL 56 56 LEU 57 57 SER 58 58 ARG 59 59 VAL 60 60 ASP 61 61 ALA 62 62 GLY 63 63 GLN 64 64 GLU 65 65 GLN 66 66 LEU 67 67 GLY 68 68 ARG 69 69 ARG 70 70 ILE 71 71 HIS 72 72 TYR 73 73 SER 74 74 GLN 75 75 ASN 76 76 ASP 77 77 LEU 78 78 VAL 79 79 GLU 80 80 TYR 81 81 SER 82 82 PRO 83 83 VAL 84 84 THR 85 85 GLU 86 86 LYS 87 87 HIS 88 88 LEU 89 89 THR 90 90 ASP 91 91 GLY 92 92 MET 93 93 THR 94 94 VAL 95 95 ARG 96 96 GLU 97 97 LEU 98 98 CYS 99 99 SER 100 100 ALA 101 101 ALA 102 102 ILE 103 103 THR 104 104 MET 105 105 SER 106 106 ASP 107 107 ASN 108 108 THR 109 109 ALA 110 110 ALA 111 111 ASN 112 112 LEU 113 113 LEU 114 114 LEU 115 115 THR 116 116 THR 117 117 ILE 118 118 GLY 119 119 GLY 120 120 PRO 121 121 LYS 122 122 GLU 123 123 LEU 124 124 THR 125 125 ASP 126 126 PHE 127 127 LEU 128 128 ARG 129 129 GLN 130 130 ILE 131 131 GLY 132 132 ASP 133 133 LYS 134 134 GLU 135 135 THR 136 136 ARG 137 137 LEU 138 138 ASP 139 139 ARG 140 140 ILE 141 141 GLU 142 142 PRO 143 143 ASP 144 144 LEU 145 145 ASN 146 146 GLU 147 147 GLY 148 148 LYS 149 149 LEU 150 150 GLY 151 151 ASP 152 152 LEU 153 153 ARG 154 154 ASP 155 155 THR 156 156 THR 157 157 THR 158 158 PRO 159 159 LYS 160 160 ALA 161 161 ILE 162 162 ALA 163 163 SER 164 164 THR 165 165 LEU 166 166 ARG 167 167 LYS 168 168 LEU 169 169 LEU 170 170 THR 171 171 GLY 172 172 GLU 173 173 LEU 174 174 LEU 175 175 THR 176 176 LEU 177 177 ALA 178 178 SER 179 179 ARG 180 180 GLN 181 181 GLN 182 182 LEU 183 183 ILE 184 184 ASP 185 185 TRP 186 186 MET 187 187 GLU 188 188 ALA 189 189 ASP 190 190 LYS 191 191 VAL 192 192 ALA 193 193 GLY 194 194 PRO 195 195 LEU 196 196 LEU 197 197 ARG 198 198 SER 199 199 ALA 200 200 LEU 201 201 PRO 202 202 ALA 203 203 GLY 204 204 TRP 205 205 PHE 206 206 ILE 207 207 ALA 208 208 ASP 209 209 LYS 210 210 SER 211 211 GLY 212 212 ALA 213 213 GLY 214 214 GLU 215 215 ARG 216 216 GLY 217 217 SER 218 218 ARG 219 219 GLY 220 220 ILE 221 221 ILE 222 222 ALA 223 223 ALA 224 224 LEU 225 225 GLY 226 226 PRO 227 227 ASP 228 228 GLY 229 229 LYS 230 230 PRO 231 231 SER 232 232 ARG 233 233 ILE 234 234 VAL 235 235 VAL 236 236 ILE 237 237 TYR 238 238 THR 239 239 THR 240 240 GLY 241 241 SER 242 242 GLN 243 243 ALA 244 244 THR 245 245 MET 246 246 ASP 247 247 GLU 248 248 ARG 249 249 ASN 250 250 ARG 251 251 GLN 252 252 ILE 253 253 ALA 254 254 GLU 255 255 ILE 256 256 GLY 257 257 ALA 258 258 SER 259 259 LEU 260 260 ILE 261 261 LYS 262 262 HIS 263 263 TRP 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 $cTEM-19m '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 $cTEM-19m 'recombinant technology' . Escherichia coli . pET-24 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 $cTEM-19m 0.6 mM '[U-13C; U-15N]' imidazole 3 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 8.0.3 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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' 3 . mM pH 6.7 . pH pressure 1 . atm temperature 273 . 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 TSP C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0.00 na direct . . . 1.000000000 TSP 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 $NMRView stop_ loop_ _Experiment_label '3D HNCO' 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 cTEM-19m _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 2 2 PRO CA C 65.5940 . 1 2 2 2 PRO CB C 32.1425 . 1 3 3 3 GLU H H 11.0030 . 1 4 3 3 GLU CA C 59.7065 . 1 5 3 3 GLU CB C 28.6216 . 1 6 3 3 GLU N N 121.7121 . 1 7 4 4 THR H H 7.7556 . 1 8 4 4 THR CA C 65.2154 . 1 9 4 4 THR CB C 67.7663 . 1 10 4 4 THR N N 118.6993 . 1 11 5 5 LEU H H 7.0319 . 1 12 5 5 LEU CA C 57.4991 . 1 13 5 5 LEU CB C 40.8970 . 1 14 5 5 LEU N N 119.6107 . 1 15 6 6 VAL H H 7.4814 . 1 16 6 6 VAL CA C 66.9038 . 1 17 6 6 VAL CB C 31.4424 . 1 18 6 6 VAL N N 119.8440 . 1 19 7 7 LYS H H 7.2672 . 1 20 7 7 LYS CA C 57.1795 . 1 21 7 7 LYS CB C 35.7716 . 1 22 7 7 LYS N N 119.2215 . 1 23 8 8 VAL H H 8.2782 . 1 24 8 8 VAL CA C 67.1905 . 1 25 8 8 VAL CB C 31.0796 . 1 26 8 8 VAL N N 122.6954 . 1 27 9 9 LYS H H 7.6661 . 1 28 9 9 LYS CA C 59.8958 . 1 29 9 9 LYS CB C 31.9913 . 1 30 9 9 LYS N N 118.6580 . 1 31 10 10 ASP H H 8.2794 . 1 32 10 10 ASP CA C 57.4095 . 1 33 10 10 ASP CB C 41.8577 . 1 34 10 10 ASP N N 120.3354 . 1 35 11 11 ALA H H 8.4528 . 1 36 11 11 ALA CA C 55.4106 . 1 37 11 11 ALA CB C 18.5128 . 1 38 11 11 ALA N N 122.1292 . 1 39 12 12 GLU H H 7.9436 . 1 40 12 12 GLU CA C 60.8677 . 1 41 12 12 GLU CB C 29.3008 . 1 42 12 12 GLU N N 117.7917 . 1 43 13 13 ASP H H 7.9135 . 1 44 13 13 ASP CA C 57.3172 . 1 45 13 13 ASP CB C 40.8439 . 1 46 13 13 ASP N N 120.0313 . 1 47 14 14 GLN H H 8.7634 . 1 48 14 14 GLN CA C 58.4933 . 1 49 14 14 GLN CB C 28.6597 . 1 50 14 14 GLN N N 118.3997 . 1 51 15 15 LEU H H 8.7249 . 1 52 15 15 LEU CA C 54.7981 . 1 53 15 15 LEU CB C 42.8228 . 1 54 15 15 LEU N N 114.3744 . 1 55 16 16 GLY H H 8.1064 . 1 56 16 16 GLY CA C 47.3951 . 1 57 16 16 GLY N N 112.8434 . 1 58 17 17 ALA H H 7.7342 . 1 59 17 17 ALA CA C 50.7599 . 1 60 17 17 ALA CB C 23.6562 . 1 61 17 17 ALA N N 119.6713 . 1 62 18 18 ARG H H 7.6555 . 1 63 18 18 ARG CA C 55.9083 . 1 64 18 18 ARG N N 115.3357 . 1 65 19 19 VAL H H 10.5011 . 1 66 19 19 VAL CA C 61.1556 . 1 67 19 19 VAL N N 127.6743 . 1 68 20 20 GLY H H 8.7446 . 1 69 20 20 GLY CA C 44.0209 . 1 70 20 20 GLY N N 110.9440 . 1 71 21 21 TYR H H 9.4548 . 1 72 21 21 TYR CA C 56.7326 . 1 73 21 21 TYR CB C 45.2722 . 1 74 21 21 TYR N N 123.9854 . 1 75 22 22 ILE H H 8.0537 . 1 76 22 22 ILE CA C 60.4492 . 1 77 22 22 ILE CB C 42.3726 . 1 78 22 22 ILE N N 125.7365 . 1 79 23 23 GLU H H 7.7432 . 1 80 23 23 GLU CA C 54.1638 . 1 81 23 23 GLU CB C 34.4678 . 1 82 23 23 GLU N N 123.4358 . 1 83 24 24 LEU H H 9.6815 . 1 84 24 24 LEU CA C 53.0667 . 1 85 24 24 LEU CB C 47.1160 . 1 86 24 24 LEU N N 125.6317 . 1 87 25 25 ASP H H 9.0243 . 1 88 25 25 ASP CA C 55.5584 . 1 89 25 25 ASP CB C 43.2309 . 1 90 25 25 ASP N N 125.4110 . 1 91 26 26 LEU H H 8.2044 . 1 92 26 26 LEU CA C 58.9057 . 1 93 26 26 LEU CB C 43.2315 . 1 94 26 26 LEU N N 129.2222 . 1 95 27 27 ASN H H 8.6251 . 1 96 27 27 ASN CA C 56.3428 . 1 97 27 27 ASN CB C 38.8431 . 1 98 27 27 ASN N N 116.0147 . 1 99 28 28 SER H H 8.5860 . 1 100 28 28 SER CA C 59.2077 . 1 101 28 28 SER CB C 65.8723 . 1 102 28 28 SER N N 112.9671 . 1 103 29 29 GLY H H 8.0044 . 1 104 29 29 GLY CA C 45.6501 . 1 105 29 29 GLY N N 112.4490 . 1 106 30 30 LYS H H 7.7136 . 1 107 30 30 LYS CA C 56.9083 . 1 108 30 30 LYS CB C 33.7221 . 1 109 30 30 LYS N N 119.7862 . 1 110 31 31 ILE H H 8.6344 . 1 111 31 31 ILE CA C 62.5231 . 1 112 31 31 ILE CB C 37.7060 . 1 113 31 31 ILE N N 124.9103 . 1 114 32 32 LEU H H 8.9010 . 1 115 32 32 LEU CA C 55.8771 . 1 116 32 32 LEU CB C 42.2520 . 1 117 32 32 LEU N N 130.5296 . 1 118 33 33 GLU H H 7.5351 . 1 119 33 33 GLU CA C 55.0136 . 1 120 33 33 GLU CB C 33.8136 . 1 121 33 33 GLU N N 116.0017 . 1 122 34 34 SER H H 9.0287 . 1 123 34 34 SER CA C 58.4363 . 1 124 34 34 SER CB C 66.9768 . 1 125 34 34 SER N N 115.5570 . 1 126 35 35 PHE H H 9.5304 . 1 127 35 35 PHE CA C 59.9056 . 1 128 35 35 PHE CB C 43.7358 . 1 129 35 35 PHE N N 121.6060 . 1 130 36 36 ARG H H 8.7917 . 1 131 36 36 ARG CA C 57.8335 . 1 132 36 36 ARG CB C 28.5272 . 1 133 36 36 ARG N N 121.8805 . 1 134 37 37 PRO CA C 65.1487 . 1 135 37 37 PRO CB C 32.5626 . 1 136 38 38 GLU H H 8.4209 . 1 137 38 38 GLU CA C 54.8127 . 1 138 38 38 GLU CB C 29.7235 . 1 139 38 38 GLU N N 114.0863 . 1 140 39 39 GLU H H 7.1240 . 1 141 39 39 GLU CA C 56.1835 . 1 142 39 39 GLU CB C 31.2034 . 1 143 39 39 GLU N N 120.4981 . 1 144 40 40 ARG H H 7.8881 . 1 145 40 40 ARG CA C 55.0534 . 1 146 40 40 ARG CB C 32.0106 . 1 147 40 40 ARG N N 115.5744 . 1 148 41 41 PHE H H 8.7699 . 1 149 41 41 PHE N N 117.2234 . 1 150 42 42 PRO CA C 63.1524 . 1 151 43 43 LEU H H 8.3347 . 1 152 43 43 LEU CA C 57.9479 . 1 153 43 43 LEU N N 123.8121 . 1 154 44 44 THR H H 10.1814 . 1 155 44 44 THR N N 116.0348 . 1 156 45 45 SER CA C 62.4640 . 1 157 46 46 THR H H 8.1192 . 1 158 46 46 THR CA C 65.9465 . 1 159 46 46 THR N N 111.8552 . 1 160 47 47 PHE H H 7.6219 . 1 161 47 47 PHE CA C 59.1206 . 1 162 47 47 PHE N N 115.7742 . 1 163 48 48 LYS H H 7.3777 . 1 164 48 48 LYS CA C 60.3585 . 1 165 48 48 LYS CB C 31.7666 . 1 166 48 48 LYS N N 122.5313 . 1 167 49 49 VAL H H 6.5353 . 1 168 49 49 VAL CA C 66.2280 . 1 169 49 49 VAL CB C 32.9823 . 1 170 49 49 VAL N N 114.4443 . 1 171 50 50 LEU H H 6.6851 . 1 172 50 50 LEU CA C 57.1772 . 1 173 50 50 LEU CB C 40.6140 . 1 174 50 50 LEU N N 117.4656 . 1 175 51 51 LEU H H 7.9856 . 1 176 51 51 LEU CA C 57.4763 . 1 177 51 51 LEU CB C 43.4261 . 1 178 51 51 LEU N N 116.7762 . 1 179 52 52 CYS H H 7.3134 . 1 180 52 52 CYS CA C 63.7907 . 1 181 52 52 CYS CB C 45.0391 . 1 182 52 52 CYS N N 113.6420 . 1 183 53 53 GLY H H 8.3920 . 1 184 53 53 GLY CA C 47.9125 . 1 185 53 53 GLY N N 110.8369 . 1 186 54 54 ALA H H 7.8020 . 1 187 54 54 ALA CA C 55.0108 . 1 188 54 54 ALA CB C 17.1763 . 1 189 54 54 ALA N N 124.2946 . 1 190 55 55 VAL H H 7.9231 . 1 191 55 55 VAL CA C 66.8866 . 1 192 55 55 VAL CB C 32.2296 . 1 193 55 55 VAL N N 118.8777 . 1 194 56 56 LEU H H 8.4028 . 1 195 56 56 LEU CA C 57.9365 . 1 196 56 56 LEU CB C 41.1562 . 1 197 56 56 LEU N N 119.1142 . 1 198 57 57 SER H H 8.0263 . 1 199 57 57 SER CA C 61.9334 . 1 200 57 57 SER N N 115.4945 . 1 201 58 58 ARG H H 7.4930 . 1 202 58 58 ARG CA C 59.3537 . 1 203 58 58 ARG CB C 30.3861 . 1 204 58 58 ARG N N 121.3943 . 1 205 59 59 VAL H H 8.3540 . 1 206 59 59 VAL CA C 65.0923 . 1 207 59 59 VAL CB C 31.4226 . 1 208 59 59 VAL N N 124.2300 . 1 209 60 60 ASP H H 8.9965 . 1 210 60 60 ASP CA C 57.2889 . 1 211 60 60 ASP CB C 40.8729 . 1 212 60 60 ASP N N 123.5247 . 1 213 61 61 ALA H H 7.5097 . 1 214 61 61 ALA CA C 52.3273 . 1 215 61 61 ALA CB C 19.4774 . 1 216 61 61 ALA N N 118.7829 . 1 217 62 62 GLY H H 8.1898 . 1 218 62 62 GLY CA C 45.7786 . 1 219 62 62 GLY N N 107.5892 . 1 220 63 63 GLN H H 8.3637 . 1 221 63 63 GLN CA C 55.6599 . 1 222 63 63 GLN CB C 30.1631 . 1 223 63 63 GLN N N 117.2894 . 1 224 64 64 GLU H H 7.3413 . 1 225 64 64 GLU CA C 52.9317 . 1 226 64 64 GLU CB C 33.6669 . 1 227 64 64 GLU N N 118.0297 . 1 228 65 65 GLN H H 10.1131 . 1 229 65 65 GLN CA C 54.8767 . 1 230 65 65 GLN CB C 31.5063 . 1 231 65 65 GLN N N 125.1330 . 1 232 66 66 LEU H H 9.0299 . 1 233 66 66 LEU CA C 57.7159 . 1 234 66 66 LEU CB C 41.5200 . 1 235 66 66 LEU N N 122.9511 . 1 236 67 67 GLY H H 8.3728 . 1 237 67 67 GLY CA C 44.5341 . 1 238 67 67 GLY N N 132.0136 . 1 239 68 68 ARG H H 7.3162 . 1 240 68 68 ARG CA C 58.0188 . 1 241 68 68 ARG CB C 31.9142 . 1 242 68 68 ARG N N 122.5243 . 1 243 69 69 ARG H H 8.5215 . 1 244 69 69 ARG CA C 56.5405 . 1 245 69 69 ARG CB C 31.6705 . 1 246 69 69 ARG N N 127.2464 . 1 247 70 70 ILE H H 9.0837 . 1 248 70 70 ILE CA C 60.3214 . 1 249 70 70 ILE CB C 39.0628 . 1 250 70 70 ILE N N 130.2666 . 1 251 71 71 HIS H H 8.4918 . 1 252 71 71 HIS CA C 55.2871 . 1 253 71 71 HIS CB C 30.6954 . 1 254 71 71 HIS N N 124.4688 . 1 255 72 72 TYR H H 8.4637 . 1 256 72 72 TYR CA C 56.0124 . 1 257 72 72 TYR CB C 38.8332 . 1 258 72 72 TYR N N 121.0044 . 1 259 73 73 SER H H 9.4226 . 1 260 73 73 SER CA C 57.0303 . 1 261 73 73 SER CB C 67.3174 . 1 262 73 73 SER N N 114.6081 . 1 263 74 74 GLN H H 9.0694 . 1 264 74 74 GLN CA C 59.1147 . 1 265 74 74 GLN CB C 28.2024 . 1 266 74 74 GLN N N 121.8912 . 1 267 75 75 ASN H H 8.2036 . 1 268 75 75 ASN CA C 55.0981 . 1 269 75 75 ASN CB C 38.1870 . 1 270 75 75 ASN N N 115.1414 . 1 271 76 76 ASP H H 7.8818 . 1 272 76 76 ASP CA C 55.7207 . 1 273 76 76 ASP CB C 42.7192 . 1 274 76 76 ASP N N 116.6224 . 1 275 77 77 LEU H H 7.1169 . 1 276 77 77 LEU CA C 55.3518 . 1 277 77 77 LEU CB C 42.0883 . 1 278 77 77 LEU N N 116.7855 . 1 279 78 78 VAL H H 7.7299 . 1 280 78 78 VAL CA C 58.8418 . 1 281 78 78 VAL CB C 34.4861 . 1 282 78 78 VAL N N 117.3648 . 1 283 79 79 GLU H H 8.5188 . 1 284 79 79 GLU CA C 57.8622 . 1 285 79 79 GLU CB C 30.1744 . 1 286 79 79 GLU N N 123.2630 . 1 287 80 80 TYR H H 8.6803 . 1 288 80 80 TYR CA C 60.5263 . 1 289 80 80 TYR CB C 36.2005 . 1 290 80 80 TYR N N 121.1640 . 1 291 81 81 SER H H 8.3404 . 1 292 81 81 SER CA C 55.6963 . 1 293 81 81 SER CB C 64.9068 . 1 294 81 81 SER N N 119.7368 . 1 295 82 82 PRO CA C 64.1304 . 1 296 83 83 VAL H H 8.6499 . 1 297 83 83 VAL CA C 64.5173 . 1 298 83 83 VAL CB C 33.3330 . 1 299 83 83 VAL N N 118.3530 . 1 300 84 84 THR H H 9.6232 . 1 301 84 84 THR CA C 64.0008 . 1 302 84 84 THR CB C 69.3560 . 1 303 84 84 THR N N 113.6181 . 1 304 85 85 GLU H H 8.1598 . 1 305 85 85 GLU CA C 58.8023 . 1 306 85 85 GLU CB C 28.5624 . 1 307 85 85 GLU N N 119.9633 . 1 308 86 86 LYS H H 7.4124 . 1 309 86 86 LYS CA C 55.8710 . 1 310 86 86 LYS CB C 32.5878 . 1 311 86 86 LYS N N 116.1995 . 1 312 87 87 HIS H H 7.1212 . 1 313 87 87 HIS CA C 55.2025 . 1 314 87 87 HIS CB C 28.7060 . 1 315 87 87 HIS N N 116.1924 . 1 316 88 88 LEU H H 7.8756 . 1 317 88 88 LEU CA C 58.2182 . 1 318 88 88 LEU CB C 42.0686 . 1 319 88 88 LEU N N 120.2918 . 1 320 89 89 THR H H 8.2931 . 1 321 89 89 THR CA C 64.4125 . 1 322 89 89 THR CB C 68.9207 . 1 323 89 89 THR N N 109.4078 . 1 324 90 90 ASP H H 8.8435 . 1 325 90 90 ASP CA C 53.9391 . 1 326 90 90 ASP CB C 40.3100 . 1 327 90 90 ASP N N 117.0604 . 1 328 91 91 GLY H H 7.8894 . 1 329 91 91 GLY CA C 45.1125 . 1 330 91 91 GLY N N 110.8378 . 1 331 92 92 MET H H 8.2598 . 1 332 92 92 MET CA C 54.9383 . 1 333 92 92 MET CB C 40.4888 . 1 334 92 92 MET N N 113.3606 . 1 335 93 93 THR H H 8.9125 . 1 336 93 93 THR CA C 60.1522 . 1 337 93 93 THR CB C 71.0445 . 1 338 93 93 THR N N 112.2164 . 1 339 94 94 VAL H H 8.1052 . 1 340 94 94 VAL CA C 68.1386 . 1 341 94 94 VAL CB C 31.8218 . 1 342 94 94 VAL N N 122.0323 . 1 343 95 95 ARG H H 9.0388 . 1 344 95 95 ARG CA C 60.1753 . 1 345 95 95 ARG CB C 31.4486 . 1 346 95 95 ARG N N 118.3673 . 1 347 96 96 GLU H H 7.6224 . 1 348 96 96 GLU CA C 58.4402 . 1 349 96 96 GLU CB C 30.0982 . 1 350 96 96 GLU N N 118.3892 . 1 351 97 97 LEU H H 9.0842 . 1 352 97 97 LEU CA C 58.0682 . 1 353 97 97 LEU CB C 41.0140 . 1 354 97 97 LEU N N 122.8396 . 1 355 98 98 CYS H H 8.1341 . 1 356 98 98 CYS CA C 62.2535 . 1 357 98 98 CYS CB C 42.4362 . 1 358 98 98 CYS N N 118.9597 . 1 359 99 99 SER H H 7.7149 . 1 360 99 99 SER CA C 61.4546 . 1 361 99 99 SER CB C 62.4896 . 1 362 99 99 SER N N 113.3760 . 1 363 100 100 ALA H H 8.4704 . 1 364 100 100 ALA CA C 55.6215 . 1 365 100 100 ALA CB C 17.5566 . 1 366 100 100 ALA N N 124.6635 . 1 367 101 101 ALA H H 8.6439 . 1 368 101 101 ALA CA C 55.2308 . 1 369 101 101 ALA CB C 17.3769 . 1 370 101 101 ALA N N 120.9116 . 1 371 102 102 ILE H H 8.2381 . 1 372 102 102 ILE CA C 65.2219 . 1 373 102 102 ILE N N 113.8265 . 1 374 103 103 THR H H 8.9616 . 1 375 103 103 THR CA C 65.2342 . 1 376 103 103 THR N N 109.5885 . 1 377 104 104 MET H H 6.7168 . 1 378 104 104 MET CA C 53.1417 . 1 379 104 104 MET N N 114.1039 . 1 380 105 105 SER H H 7.1116 . 1 381 105 105 SER CA C 59.1065 . 1 382 105 105 SER N N 114.5496 . 1 383 106 106 ASP H H 7.3000 . 1 384 106 106 ASP CA C 56.1058 . 1 385 106 106 ASP CB C 44.5116 . 1 386 106 106 ASP N N 120.2509 . 1 387 107 107 ASN H H 8.7420 . 1 388 107 107 ASN CA C 56.2529 . 1 389 107 107 ASN CB C 39.0288 . 1 390 107 107 ASN N N 127.4214 . 1 391 108 108 THR H H 7.6255 . 1 392 108 108 THR CA C 67.9924 . 1 393 108 108 THR N N 119.8426 . 1 394 109 109 ALA H H 8.8704 . 1 395 109 109 ALA CA C 55.2510 . 1 396 109 109 ALA CB C 18.7848 . 1 397 109 109 ALA N N 122.8122 . 1 398 110 110 ALA H H 7.0702 . 1 399 110 110 ALA CA C 54.7352 . 1 400 110 110 ALA CB C 19.1319 . 1 401 110 110 ALA N N 115.5234 . 1 402 111 111 ASN H H 7.8302 . 1 403 111 111 ASN CA C 55.7585 . 1 404 111 111 ASN CB C 36.9456 . 1 405 111 111 ASN N N 120.1800 . 1 406 112 112 LEU H H 8.9777 . 1 407 112 112 LEU CA C 57.8616 . 1 408 112 112 LEU CB C 42.0917 . 1 409 112 112 LEU N N 122.0026 . 1 410 113 113 LEU H H 8.0211 . 1 411 113 113 LEU CA C 57.4931 . 1 412 113 113 LEU CB C 42.6632 . 1 413 113 113 LEU N N 119.5883 . 1 414 114 114 LEU CA C 58.4167 . 1 415 114 114 LEU CB C 42.4134 . 1 416 115 115 THR H H 8.1470 . 1 417 115 115 THR CA C 66.8117 . 1 418 115 115 THR CB C 68.4824 . 1 419 115 115 THR N N 116.2811 . 1 420 116 116 THR H H 7.5685 . 1 421 116 116 THR CA C 65.4294 . 1 422 116 116 THR CB C 68.7208 . 1 423 116 116 THR N N 113.0516 . 1 424 117 117 ILE H H 6.9150 . 1 425 117 117 ILE CA C 61.0424 . 1 426 117 117 ILE CB C 38.7598 . 1 427 117 117 ILE N N 111.9355 . 1 428 118 118 GLY H H 7.4392 . 1 429 118 118 GLY CA C 45.2272 . 1 430 118 118 GLY N N 106.6926 . 1 431 119 119 GLY H H 8.0806 . 1 432 119 119 GLY CA C 45.3041 . 1 433 119 119 GLY N N 108.9046 . 1 434 120 120 PRO CA C 66.4202 . 1 435 120 120 PRO CB C 32.1638 . 1 436 121 121 LYS H H 8.5901 . 1 437 121 121 LYS CA C 59.7463 . 1 438 121 121 LYS CB C 32.1380 . 1 439 121 121 LYS N N 118.1666 . 1 440 122 122 GLU H H 7.3332 . 1 441 122 122 GLU CA C 58.6050 . 1 442 122 122 GLU CB C 29.1480 . 1 443 122 122 GLU N N 118.3432 . 1 444 123 123 LEU H H 7.7904 . 1 445 123 123 LEU CA C 57.7439 . 1 446 123 123 LEU CB C 40.6135 . 1 447 123 123 LEU N N 121.5492 . 1 448 124 124 THR H H 8.3802 . 1 449 124 124 THR CA C 68.4978 . 1 450 124 124 THR N N 117.4099 . 1 451 125 125 ASP H H 8.3973 . 1 452 125 125 ASP CA C 58.2074 . 1 453 125 125 ASP CB C 40.6371 . 1 454 125 125 ASP N N 121.2511 . 1 455 126 126 PHE H H 7.9309 . 1 456 126 126 PHE CA C 61.0493 . 1 457 126 126 PHE CB C 38.1520 . 1 458 126 126 PHE N N 122.1209 . 1 459 127 127 LEU H H 7.9738 . 1 460 127 127 LEU CA C 57.4632 . 1 461 127 127 LEU CB C 39.7213 . 1 462 127 127 LEU N N 118.8771 . 1 463 128 128 ARG H H 8.4942 . 1 464 128 128 ARG CA C 57.4862 . 1 465 128 128 ARG CB C 28.7500 . 1 466 128 128 ARG N N 118.2094 . 1 467 129 129 GLN H H 8.2702 . 1 468 129 129 GLN CA C 58.7078 . 1 469 129 129 GLN CB C 28.1923 . 1 470 129 129 GLN N N 121.1480 . 1 471 130 130 ILE H H 7.4290 . 1 472 130 130 ILE CA C 61.1963 . 1 473 130 130 ILE CB C 37.3610 . 1 474 130 130 ILE N N 110.9179 . 1 475 131 131 GLY H H 7.5780 . 1 476 131 131 GLY CA C 45.7561 . 1 477 131 131 GLY N N 109.0616 . 1 478 132 132 ASP H H 8.3069 . 1 479 132 132 ASP CA C 52.7092 . 1 480 132 132 ASP CB C 40.3388 . 1 481 132 132 ASP N N 122.8053 . 1 482 133 133 LYS H H 8.6684 . 1 483 133 133 LYS CA C 56.2968 . 1 484 133 133 LYS CB C 33.0620 . 1 485 133 133 LYS N N 123.4522 . 1 486 134 134 GLU H H 8.4464 . 1 487 134 134 GLU CA C 57.5504 . 1 488 134 134 GLU CB C 33.1529 . 1 489 134 134 GLU N N 117.3477 . 1 490 135 135 THR H H 9.9407 . 1 491 135 135 THR CA C 65.2112 . 1 492 135 135 THR CB C 66.4521 . 1 493 135 135 THR N N 124.0980 . 1 494 136 136 ARG H H 8.9242 . 1 495 136 136 ARG CA C 54.6021 . 1 496 136 136 ARG CB C 33.8634 . 1 497 136 136 ARG N N 122.2528 . 1 498 137 137 LEU H H 7.7604 . 1 499 137 137 LEU CA C 53.2295 . 1 500 137 137 LEU CB C 45.5099 . 1 501 137 137 LEU N N 121.5342 . 1 502 138 138 ASP H H 10.2136 . 1 503 138 138 ASP CA C 55.3709 . 1 504 138 138 ASP CB C 45.6400 . 1 505 138 138 ASP N N 126.5539 . 1 506 139 139 ARG H H 9.2366 . 1 507 139 139 ARG CA C 54.9053 . 1 508 139 139 ARG CB C 35.1985 . 1 509 139 139 ARG N N 125.3452 . 1 510 140 140 ILE H H 7.1490 . 1 511 140 140 ILE CA C 59.5698 . 1 512 140 140 ILE CB C 37.9504 . 1 513 140 140 ILE N N 105.7348 . 1 514 141 141 GLU H H 9.3510 . 1 515 141 141 GLU CB C 27.9742 . 1 516 141 141 GLU N N 116.5653 . 1 517 142 142 PRO CA C 63.9173 . 1 518 142 142 PRO CB C 33.8631 . 1 519 143 143 ASP H H 8.1920 . 1 520 143 143 ASP CA C 57.5983 . 1 521 143 143 ASP CB C 40.7721 . 1 522 143 143 ASP N N 128.0111 . 1 523 144 144 LEU H H 7.4944 . 1 524 144 144 LEU CA C 57.1852 . 1 525 144 144 LEU N N 113.0371 . 1 526 145 145 ASN H H 7.7662 . 1 527 145 145 ASN CA C 54.0243 . 1 528 145 145 ASN CB C 40.2707 . 1 529 145 145 ASN N N 119.4129 . 1 530 146 146 GLU H H 7.4345 . 1 531 146 146 GLU CA C 60.7750 . 1 532 146 146 GLU N N 122.3259 . 1 533 147 147 GLY H H 9.3216 . 1 534 147 147 GLY CA C 47.0647 . 1 535 147 147 GLY N N 105.4745 . 1 536 148 148 LYS CB C 32.1180 . 1 537 149 149 LEU H H 8.5303 . 1 538 149 149 LEU CA C 57.0812 . 1 539 149 149 LEU CB C 41.5950 . 1 540 149 149 LEU N N 127.7116 . 1 541 150 150 GLY H H 9.0122 . 1 542 150 150 GLY CA C 45.3509 . 1 543 150 150 GLY N N 114.6356 . 1 544 151 151 ASP H H 7.3921 . 1 545 151 151 ASP CA C 53.1841 . 1 546 151 151 ASP CB C 42.2088 . 1 547 151 151 ASP N N 120.9396 . 1 548 152 152 LEU H H 8.6229 . 1 549 152 152 LEU CA C 55.4156 . 1 550 152 152 LEU CB C 42.6151 . 1 551 152 152 LEU N N 127.3376 . 1 552 153 153 ARG H H 7.9672 . 1 553 153 153 ARG CA C 57.1476 . 1 554 153 153 ARG CB C 30.7772 . 1 555 153 153 ARG N N 120.4182 . 1 556 154 154 ASP H H 8.8813 . 1 557 154 154 ASP CA C 55.4361 . 1 558 154 154 ASP CB C 42.4702 . 1 559 154 154 ASP N N 115.7761 . 1 560 155 155 THR H H 7.2284 . 1 561 155 155 THR CA C 59.8390 . 1 562 155 155 THR CB C 75.3908 . 1 563 155 155 THR N N 105.1580 . 1 564 156 156 THR H H 8.2972 . 1 565 156 156 THR CA C 59.9509 . 1 566 156 156 THR CB C 68.5942 . 1 567 156 156 THR N N 113.0213 . 1 568 157 157 THR H H 8.7242 . 1 569 157 157 THR CA C 57.5767 . 1 570 157 157 THR N N 111.4078 . 1 571 158 158 PRO CA C 66.3868 . 1 572 158 158 PRO CB C 32.3299 . 1 573 159 159 LYS H H 8.4488 . 1 574 159 159 LYS CA C 60.1670 . 1 575 159 159 LYS CB C 33.5878 . 1 576 159 159 LYS N N 112.9502 . 1 577 160 160 ALA H H 8.4714 . 1 578 160 160 ALA CA C 55.5826 . 1 579 160 160 ALA CB C 18.9559 . 1 580 160 160 ALA N N 123.8163 . 1 581 161 161 ILE H H 8.1847 . 1 582 161 161 ILE CA C 65.3193 . 1 583 161 161 ILE CB C 36.9284 . 1 584 161 161 ILE N N 115.8257 . 1 585 162 162 ALA H H 8.1226 . 1 586 162 162 ALA CA C 55.8838 . 1 587 162 162 ALA CB C 19.4309 . 1 588 162 162 ALA N N 124.6238 . 1 589 163 163 SER H H 7.7044 . 1 590 163 163 SER CA C 61.8415 . 1 591 163 163 SER CB C 62.7053 . 1 592 163 163 SER N N 112.1732 . 1 593 164 164 THR H H 8.8362 . 1 594 164 164 THR CA C 66.7609 . 1 595 164 164 THR N N 122.8282 . 1 596 165 165 LEU H H 9.1062 . 1 597 165 165 LEU CA C 58.1476 . 1 598 165 165 LEU CB C 41.6950 . 1 599 165 165 LEU N N 122.3488 . 1 600 166 166 ARG H H 8.0678 . 1 601 166 166 ARG CA C 60.9008 . 1 602 166 166 ARG CB C 29.0198 . 1 603 166 166 ARG N N 117.9308 . 1 604 167 167 LYS H H 7.9220 . 1 605 167 167 LYS CA C 59.8955 . 1 606 167 167 LYS CB C 32.6349 . 1 607 167 167 LYS N N 120.4106 . 1 608 168 168 LEU H H 8.0280 . 1 609 168 168 LEU CA C 57.7954 . 1 610 168 168 LEU CB C 42.4359 . 1 611 168 168 LEU N N 116.5691 . 1 612 169 169 LEU H H 7.9126 . 1 613 169 169 LEU CA C 56.4684 . 1 614 169 169 LEU CB C 43.3963 . 1 615 169 169 LEU N N 111.8888 . 1 616 170 170 THR H H 7.9139 . 1 617 170 170 THR CA C 60.9665 . 1 618 170 170 THR CB C 72.1966 . 1 619 170 170 THR N N 106.2154 . 1 620 171 171 GLY H H 8.0366 . 1 621 171 171 GLY CA C 45.3093 . 1 622 171 171 GLY N N 109.8300 . 1 623 172 172 GLU H H 8.4030 . 1 624 172 172 GLU CA C 56.0314 . 1 625 172 172 GLU CB C 29.6982 . 1 626 172 172 GLU N N 117.5919 . 1 627 173 173 LEU H H 7.4157 . 1 628 173 173 LEU CA C 57.8214 . 1 629 173 173 LEU CB C 43.0872 . 1 630 173 173 LEU N N 121.2870 . 1 631 174 174 LEU H H 8.6043 . 1 632 174 174 LEU CA C 52.6040 . 1 633 174 174 LEU CB C 44.5915 . 1 634 174 174 LEU N N 117.9661 . 1 635 175 175 THR H H 9.0199 . 1 636 175 175 THR CA C 62.1147 . 1 637 175 175 THR CB C 71.7233 . 1 638 175 175 THR N N 112.6576 . 1 639 176 176 LEU H H 8.6687 . 1 640 176 176 LEU CA C 58.9197 . 1 641 176 176 LEU CB C 41.5854 . 1 642 176 176 LEU N N 122.8078 . 1 643 177 177 ALA H H 8.4414 . 1 644 177 177 ALA CA C 55.0203 . 1 645 177 177 ALA CB C 18.2447 . 1 646 177 177 ALA N N 118.6343 . 1 647 178 178 SER H H 7.7242 . 1 648 178 178 SER CA C 62.8911 . 1 649 178 178 SER N N 118.4305 . 1 650 179 179 ARG H H 9.1054 . 1 651 179 179 ARG CA C 60.2897 . 1 652 179 179 ARG CB C 30.9763 . 1 653 179 179 ARG N N 123.6200 . 1 654 180 180 GLN H H 8.1965 . 1 655 180 180 GLN CA C 57.6158 . 1 656 180 180 GLN CB C 28.4526 . 1 657 180 180 GLN N N 117.6372 . 1 658 181 181 GLN H H 7.5708 . 1 659 181 181 GLN CA C 56.9023 . 1 660 181 181 GLN CB C 28.5877 . 1 661 181 181 GLN N N 118.0420 . 1 662 182 182 LEU H H 7.9537 . 1 663 182 182 LEU CA C 58.2883 . 1 664 182 182 LEU CB C 41.5193 . 1 665 182 182 LEU N N 121.0096 . 1 666 183 183 ILE H H 7.8369 . 1 667 183 183 ILE CA C 65.7589 . 1 668 183 183 ILE CB C 38.0021 . 1 669 183 183 ILE N N 118.2310 . 1 670 184 184 ASP H H 8.6812 . 1 671 184 184 ASP CA C 57.5268 . 1 672 184 184 ASP CB C 40.0295 . 1 673 184 184 ASP N N 122.2219 . 1 674 185 185 TRP H H 8.0034 . 1 675 185 185 TRP CA C 59.5821 . 1 676 185 185 TRP CB C 28.9563 . 1 677 185 185 TRP N N 120.2795 . 1 678 186 186 MET H H 7.7583 . 1 679 186 186 MET CA C 59.5459 . 1 680 186 186 MET CB C 35.5626 . 1 681 186 186 MET N N 115.7418 . 1 682 187 187 GLU H H 9.6855 . 1 683 187 187 GLU CA C 59.8550 . 1 684 187 187 GLU N N 124.7586 . 1 685 188 188 ALA H H 7.3060 . 1 686 188 188 ALA CA C 51.8097 . 1 687 188 188 ALA N N 119.5107 . 1 688 190 190 LYS H H 9.4568 . 1 689 190 190 LYS N N 127.2085 . 1 690 191 191 VAL CA C 60.6003 . 1 691 192 192 ALA H H 8.8736 . 1 692 192 192 ALA CA C 50.5460 . 1 693 192 192 ALA N N 125.5347 . 1 694 197 197 ARG CA C 59.7208 . 1 695 198 198 SER H H 6.9833 . 1 696 198 198 SER CA C 61.0079 . 1 697 198 198 SER CB C 63.2817 . 1 698 198 198 SER N N 113.3697 . 1 699 199 199 ALA H H 7.2434 . 1 700 199 199 ALA CA C 50.6280 . 1 701 199 199 ALA CB C 19.5963 . 1 702 199 199 ALA N N 122.8335 . 1 703 200 200 LEU H H 6.6822 . 1 704 200 200 LEU CA C 53.0612 . 1 705 200 200 LEU CB C 43.8984 . 1 706 200 200 LEU N N 120.8666 . 1 707 201 201 PRO CA C 61.5372 . 1 708 201 201 PRO CB C 32.0274 . 1 709 202 202 ALA H H 8.2177 . 1 710 202 202 ALA CA C 53.4389 . 1 711 202 202 ALA CB C 18.3540 . 1 712 202 202 ALA N N 122.7492 . 1 713 203 203 GLY H H 8.7989 . 1 714 203 203 GLY CA C 45.4167 . 1 715 203 203 GLY N N 110.1552 . 1 716 204 204 TRP H H 7.6111 . 1 717 204 204 TRP CA C 59.0694 . 1 718 204 204 TRP CB C 28.8662 . 1 719 204 204 TRP N N 120.5739 . 1 720 205 205 PHE H H 9.3487 . 1 721 205 205 PHE CA C 56.7906 . 1 722 205 205 PHE N N 122.9461 . 1 723 206 206 ILE H H 7.5015 . 1 724 206 206 ILE CA C 60.4433 . 1 725 206 206 ILE N N 123.3830 . 1 726 207 207 ALA H H 8.4552 . 1 727 207 207 ALA CA C 50.6225 . 1 728 207 207 ALA N N 127.9513 . 1 729 208 208 ASP H H 8.2158 . 1 730 208 208 ASP CA C 53.0055 . 1 731 208 208 ASP N N 123.7558 . 1 732 209 209 LYS H H 8.0279 . 1 733 209 209 LYS N N 109.7158 . 1 734 218 218 ARG H H 8.8297 . 1 735 218 218 ARG N N 126.3382 . 1 736 221 221 ILE H H 8.0502 . 1 737 221 221 ILE CA C 58.5160 . 1 738 221 221 ILE CB C 40.1104 . 1 739 221 221 ILE N N 118.5031 . 1 740 222 222 ALA H H 8.9159 . 1 741 222 222 ALA CA C 51.2815 . 1 742 222 222 ALA CB C 24.6092 . 1 743 222 222 ALA N N 123.7230 . 1 744 223 223 ALA H H 9.3194 . 1 745 223 223 ALA CA C 50.3701 . 1 746 223 223 ALA CB C 20.7432 . 1 747 223 223 ALA N N 122.8167 . 1 748 224 224 LEU H H 9.2970 . 1 749 224 224 LEU CA C 55.2039 . 1 750 224 224 LEU CB C 46.5546 . 1 751 224 224 LEU N N 121.1354 . 1 752 225 225 GLY H H 8.7741 . 1 753 225 225 GLY CA C 46.8429 . 1 754 225 225 GLY N N 110.3914 . 1 755 226 226 PRO CA C 60.7572 . 1 756 226 226 PRO CB C 31.9355 . 1 757 227 227 ASP H H 7.9127 . 1 758 227 227 ASP CA C 54.9896 . 1 759 227 227 ASP CB C 39.2695 . 1 760 227 227 ASP N N 114.2082 . 1 761 228 228 GLY H H 7.7206 . 1 762 228 228 GLY CA C 46.8677 . 1 763 228 228 GLY N N 130.2049 . 1 764 229 229 LYS H H 7.1678 . 1 765 229 229 LYS CA C 52.3098 . 1 766 229 229 LYS CB C 34.6014 . 1 767 229 229 LYS N N 119.3638 . 1 768 230 230 PRO CA C 62.1698 . 1 769 230 230 PRO CB C 31.6218 . 1 770 231 231 SER H H 8.5170 . 1 771 231 231 SER CA C 58.9698 . 1 772 231 231 SER N N 112.3095 . 1 773 232 232 ARG H H 8.8116 . 1 774 232 232 ARG CA C 55.8469 . 1 775 232 232 ARG CB C 36.3374 . 1 776 232 232 ARG N N 123.2590 . 1 777 233 233 ILE H H 9.1812 . 1 778 233 233 ILE CA C 58.6967 . 1 779 233 233 ILE CB C 40.4534 . 1 780 233 233 ILE N N 122.6236 . 1 781 234 234 VAL H H 9.1620 . 1 782 234 234 VAL CA C 59.7769 . 1 783 234 234 VAL CB C 36.1925 . 1 784 234 234 VAL N N 126.5232 . 1 785 235 235 VAL H H 8.2268 . 1 786 235 235 VAL CA C 60.1523 . 1 787 235 235 VAL CB C 35.9837 . 1 788 235 235 VAL N N 125.1303 . 1 789 236 236 ILE H H 8.2831 . 1 790 236 236 ILE CA C 60.2060 . 1 791 236 236 ILE CB C 41.8202 . 1 792 236 236 ILE N N 122.6449 . 1 793 237 237 TYR H H 8.8028 . 1 794 237 237 TYR CA C 56.8574 . 1 795 237 237 TYR N N 122.2563 . 1 796 238 238 THR H H 8.8879 . 1 797 238 238 THR CA C 59.7344 . 1 798 238 238 THR N N 109.9950 . 1 799 240 240 GLY H H 8.8998 . 1 800 240 240 GLY N N 114.3545 . 1 801 241 241 SER H H 8.4527 . 1 802 241 241 SER N N 114.4280 . 1 803 242 242 GLN H H 8.8893 . 1 804 242 242 GLN N N 124.0399 . 1 805 243 243 ALA CA C 52.3210 . 1 806 243 243 ALA CB C 20.5224 . 1 807 244 244 THR H H 8.6555 . 1 808 244 244 THR CA C 61.7078 . 1 809 244 244 THR CB C 71.0335 . 1 810 244 244 THR N N 112.7408 . 1 811 245 245 MET CB C 31.0892 . 1 812 246 246 ASP H H 8.4066 . 1 813 246 246 ASP CA C 57.7659 . 1 814 246 246 ASP CB C 40.6144 . 1 815 246 246 ASP N N 116.6869 . 1 816 247 247 GLU H H 7.6585 . 1 817 247 247 GLU CA C 58.9945 . 1 818 247 247 GLU CB C 30.0916 . 1 819 247 247 GLU N N 120.3345 . 1 820 248 248 ARG H H 8.0934 . 1 821 248 248 ARG CA C 60.8612 . 1 822 248 248 ARG N N 118.7445 . 1 823 249 249 ASN H H 8.8112 . 1 824 249 249 ASN CA C 55.3570 . 1 825 249 249 ASN N N 116.9953 . 1 826 250 250 ARG H H 8.0138 . 1 827 250 250 ARG CA C 59.2574 . 1 828 250 250 ARG CB C 30.3588 . 1 829 250 250 ARG N N 118.8184 . 1 830 251 251 GLN H H 7.7568 . 1 831 251 251 GLN CA C 58.2442 . 1 832 251 251 GLN N N 114.8422 . 1 833 252 252 ILE H H 7.4262 . 1 834 252 252 ILE CA C 65.9167 . 1 835 252 252 ILE N N 117.6602 . 1 836 253 253 ALA H H 8.6848 . 1 837 253 253 ALA CA C 56.0045 . 1 838 253 253 ALA CB C 18.0681 . 1 839 253 253 ALA N N 123.3216 . 1 840 254 254 GLU H H 8.3855 . 1 841 254 254 GLU CA C 59.6519 . 1 842 254 254 GLU CB C 29.9443 . 1 843 254 254 GLU N N 118.3262 . 1 844 255 255 ILE H H 8.0209 . 1 845 255 255 ILE CA C 66.6379 . 1 846 255 255 ILE CB C 38.1887 . 1 847 255 255 ILE N N 123.3413 . 1 848 256 256 GLY H H 8.3784 . 1 849 256 256 GLY CA C 47.6628 . 1 850 256 256 GLY N N 106.0163 . 1 851 257 257 ALA H H 8.5953 . 1 852 257 257 ALA CA C 55.2662 . 1 853 257 257 ALA CB C 17.8603 . 1 854 257 257 ALA N N 122.2531 . 1 855 258 258 SER H H 7.4629 . 1 856 258 258 SER CA C 61.8138 . 1 857 258 258 SER CB C 62.8720 . 1 858 258 258 SER N N 113.2654 . 1 859 259 259 LEU H H 8.1805 . 1 860 259 259 LEU CA C 58.0736 . 1 861 259 259 LEU CB C 40.8150 . 1 862 259 259 LEU N N 122.8789 . 1 863 260 260 ILE H H 7.9444 . 1 864 260 260 ILE CA C 63.7896 . 1 865 260 260 ILE N N 118.3210 . 1 866 261 261 LYS H H 8.0962 . 1 867 261 261 LYS CA C 58.9819 . 1 868 261 261 LYS CB C 37.3775 . 1 869 261 261 LYS N N 120.9408 . 1 870 262 262 HIS H H 7.5876 . 1 871 262 262 HIS CA C 54.7133 . 1 872 262 262 HIS CB C 28.0339 . 1 873 262 262 HIS N N 113.9687 . 1 874 263 263 TRP H H 7.2269 . 1 875 263 263 TRP CA C 62.3709 . 1 876 263 263 TRP CB C 30.3945 . 1 877 263 263 TRP N N 128.6763 . 1 stop_ save_