data_27859 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; hCA II S50C C206S labelled with Lu-DOTA-M8 ; _BMRB_accession_number 27859 _BMRB_flat_file_name bmr27859.str _Entry_type original _Submission_date 2019-03-29 _Accession_date 2019-03-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone assignment of uniformly 2H 13C 15N labelled hCA II S50C C206S labelled with Lu-DOTA-M8.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zimmermann Kaspar . . 2 Joss Daniel . . 3 Muentener Thomas . . 4 Schaefer Marc . . 5 Nogueira Elisa . . 6 Knorr Livia . . 7 Monnard Fabien . . 8 Haeussinger Daniel . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 220 "13C chemical shifts" 682 "15N chemical shifts" 220 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-06-12 update BMRB 'update entry citation' 2019-04-03 original author 'original release' stop_ _Original_release_date 2019-03-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Localization of ligands within human carbonic anhydrase II using ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31183057 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zimmermann Kaspar . . 2 Joss Daniel . . 3 Muentener Thomas . . 4 Schaefer Marc . . 5 Nogueira Elisa . . 6 Knorr Livia . . 7 Monnard Fabien . . 8 Haeussinger Daniel . . stop_ _Journal_abbreviation 'Chem. Sci.' _Journal_name_full 'Chemical science' _Journal_volume 10 _Journal_issue 19 _Journal_ISSN 2041-6520 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5064 _Page_last 5072 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human carbonic anhydrase II S50C C206S' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human carbonic anhydrase II S50C C206S' $human_carbonic_anhydrase_II_S50C_C206S stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Lu-DOTA-M8 attached to the protein' save_ ######################## # Monomeric polymers # ######################## save_human_carbonic_anhydrase_II_S50C_C206S _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common human_carbonic_anhydrase_II_S50C_C206S _Molecular_mass 29372.2535 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 261 _Mol_residue_sequence ; MAHHWGYGKHNGPEHWHKDF PIAKGERQSPVDIDTHTAKY DPSLKPLSVCYDQATSLRIL NNGHAFNVEFDDSQDKAVLK GGPLDGTYRLIQFHFHWGSL DGQGSEHTVDKKKYAAELHL VHWNTMKYGDFGKAVQQPDG LAVLGIFLKVGSAKPGLQKV VDVLDSIKTKGKSADFTNFD PRGLLPESLDYWTYPGSLTT PPLLESVTWIVLKEPISVSS EQVLKFRKLNFNGEGEPEEL MVDNWRPAQPLKNRQIKASF K ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 HIS 4 HIS 5 TRP 6 GLY 7 TYR 8 GLY 9 LYS 10 HIS 11 ASN 12 GLY 13 PRO 14 GLU 15 HIS 16 TRP 17 HIS 18 LYS 19 ASP 20 PHE 21 PRO 22 ILE 23 ALA 24 LYS 25 GLY 26 GLU 27 ARG 28 GLN 29 SER 30 PRO 31 VAL 32 ASP 33 ILE 34 ASP 35 THR 36 HIS 37 THR 38 ALA 39 LYS 40 TYR 41 ASP 42 PRO 43 SER 44 LEU 45 LYS 46 PRO 47 LEU 48 SER 49 VAL 50 CYS 51 TYR 52 ASP 53 GLN 54 ALA 55 THR 56 SER 57 LEU 58 ARG 59 ILE 60 LEU 61 ASN 62 ASN 63 GLY 64 HIS 65 ALA 66 PHE 67 ASN 68 VAL 69 GLU 70 PHE 71 ASP 72 ASP 73 SER 74 GLN 75 ASP 76 LYS 77 ALA 78 VAL 79 LEU 80 LYS 81 GLY 82 GLY 83 PRO 84 LEU 85 ASP 86 GLY 87 THR 88 TYR 89 ARG 90 LEU 91 ILE 92 GLN 93 PHE 94 HIS 95 PHE 96 HIS 97 TRP 98 GLY 99 SER 100 LEU 101 ASP 102 GLY 103 GLN 104 GLY 105 SER 106 GLU 107 HIS 108 THR 109 VAL 110 ASP 111 LYS 112 LYS 113 LYS 114 TYR 115 ALA 116 ALA 117 GLU 118 LEU 119 HIS 120 LEU 121 VAL 122 HIS 123 TRP 124 ASN 125 THR 126 MET 127 LYS 128 TYR 129 GLY 130 ASP 131 PHE 132 GLY 133 LYS 134 ALA 135 VAL 136 GLN 137 GLN 138 PRO 139 ASP 140 GLY 141 LEU 142 ALA 143 VAL 144 LEU 145 GLY 146 ILE 147 PHE 148 LEU 149 LYS 150 VAL 151 GLY 152 SER 153 ALA 154 LYS 155 PRO 156 GLY 157 LEU 158 GLN 159 LYS 160 VAL 161 VAL 162 ASP 163 VAL 164 LEU 165 ASP 166 SER 167 ILE 168 LYS 169 THR 170 LYS 171 GLY 172 LYS 173 SER 174 ALA 175 ASP 176 PHE 177 THR 178 ASN 179 PHE 180 ASP 181 PRO 182 ARG 183 GLY 184 LEU 185 LEU 186 PRO 187 GLU 188 SER 189 LEU 190 ASP 191 TYR 192 TRP 193 THR 194 TYR 195 PRO 196 GLY 197 SER 198 LEU 199 THR 200 THR 201 PRO 202 PRO 203 LEU 204 LEU 205 GLU 206 SER 207 VAL 208 THR 209 TRP 210 ILE 211 VAL 212 LEU 213 LYS 214 GLU 215 PRO 216 ILE 217 SER 218 VAL 219 SER 220 SER 221 GLU 222 GLN 223 VAL 224 LEU 225 LYS 226 PHE 227 ARG 228 LYS 229 LEU 230 ASN 231 PHE 232 ASN 233 GLY 234 GLU 235 GLY 236 GLU 237 PRO 238 GLU 239 GLU 240 LEU 241 MET 242 VAL 243 ASP 244 ASN 245 TRP 246 ARG 247 PRO 248 ALA 249 GLN 250 PRO 251 LEU 252 LYS 253 ASN 254 ARG 255 GLN 256 ILE 257 LYS 258 ALA 259 SER 260 PHE 261 LYS 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 $human_carbonic_anhydrase_II_S50C_C206S '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 $human_carbonic_anhydrase_II_S50C_C206S 'recombinant technology' . Escherichia coli . 'pACA plasmid' 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 $human_carbonic_anhydrase_II_S50C_C206S 0.5 mM '[U-13C; U-15N; U-2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_CCPNMR _Saveframe_category software _Name CCPNMR _Version . loop_ _Vendor _Address _Electronic_address CCPNMR . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III HD' _Field_strength 600.13 _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_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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_HNCACB_6 _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 pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_Reference _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 na C 13 carbons na 0 na direct . . . 1.0 water H 1 protons ppm 4.76 internal direct . . . 1.0 na N 15 nitrogen na 0 na direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CA)CO' '3D HN(CO)CA' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $Reference _Mol_system_component_name 'human carbonic anhydrase II S50C C206S' _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 21 21 PRO C C 175.7 . . 2 21 21 PRO CA C 62.2 . . 3 21 21 PRO CB C 28 . . 4 22 22 ILE H H 7.92 . . 5 22 22 ILE C C 171.7 . . 6 22 22 ILE CA C 58 . . 7 22 22 ILE CB C 35.4 . . 8 22 22 ILE N N 121.1 . . 9 23 23 ALA H H 8.55 . . 10 23 23 ALA C C 176.8 . . 11 23 23 ALA CA C 50.4 . . 12 23 23 ALA CB C 15.6 . . 13 23 23 ALA N N 123.3 . . 14 24 24 LYS H H 7.07 . . 15 24 24 LYS C C 173.6 . . 16 24 24 LYS CA C 52 . . 17 24 24 LYS CB C 27.8 . . 18 24 24 LYS N N 115.3 . . 19 25 25 GLY H H 8.17 . . 20 25 25 GLY C C 171.5 . . 21 25 25 GLY CA C 41.9 . . 22 25 25 GLY N N 109.3 . . 23 26 26 GLU H H 9.24 . . 24 26 26 GLU C C 173.6 . . 25 26 26 GLU CA C 53.7 . . 26 26 26 GLU CB C 27.3 . . 27 26 26 GLU N N 118.2 . . 28 27 27 ARG H H 8.71 . . 29 27 27 ARG C C 172.6 . . 30 27 27 ARG CA C 50.2 . . 31 27 27 ARG CB C 27.9 . . 32 27 27 ARG N N 122 . . 33 28 28 GLN H H 7.58 . . 34 28 28 GLN C C 175.2 . . 35 28 28 GLN CA C 52.2 . . 36 28 28 GLN CB C 28.6 . . 37 28 28 GLN N N 115.9 . . 38 29 29 SER H H 7.94 . . 39 29 29 SER C C 181.8 . . 40 29 29 SER CA C 54.2 . . 41 29 29 SER CB C 60.5 . . 42 29 29 SER N N 118.3 . . 43 30 30 PRO C C 170.2 . . 44 30 30 PRO CA C 59 . . 45 30 30 PRO CB C 29.7 . . 46 31 31 VAL H H 6.14 . . 47 31 31 VAL C C 171 . . 48 31 31 VAL CA C 56 . . 49 31 31 VAL CB C 32.2 . . 50 31 31 VAL N N 107.5 . . 51 32 32 ASP H H 8.19 . . 52 32 32 ASP C C 172 . . 53 32 32 ASP CA C 50.2 . . 54 32 32 ASP CB C 39.1 . . 55 32 32 ASP N N 118.7 . . 56 33 33 ILE H H 8.59 . . 57 33 33 ILE C C 170.2 . . 58 33 33 ILE CA C 58 . . 59 33 33 ILE CB C 33.6 . . 60 33 33 ILE N N 129 . . 61 34 34 ASP H H 7.4 . . 62 34 34 ASP C C 175.4 . . 63 34 34 ASP CA C 49.2 . . 64 34 34 ASP CB C 38 . . 65 34 34 ASP N N 128.7 . . 66 35 35 THR H H 10.15 . . 67 35 35 THR C C 174.4 . . 68 35 35 THR CA C 62.2 . . 69 35 35 THR CB C 65.8 . . 70 35 35 THR N N 122.7 . . 71 36 36 HIS H H 8.67 . . 72 36 36 HIS C C 173.7 . . 73 36 36 HIS CA C 54.7 . . 74 36 36 HIS CB C 25.5 . . 75 36 36 HIS N N 119.3 . . 76 37 37 THR H H 7.51 . . 77 37 37 THR C C 172.5 . . 78 37 37 THR CA C 58.7 . . 79 37 37 THR CB C 66.6 . . 80 37 37 THR N N 109.2 . . 81 38 38 ALA H H 7.34 . . 82 38 38 ALA C C 173.7 . . 83 38 38 ALA CA C 49.3 . . 84 38 38 ALA CB C 14.4 . . 85 38 38 ALA N N 128 . . 86 39 39 LYS H H 7.98 . . 87 39 39 LYS C C 174 . . 88 39 39 LYS CA C 51.8 . . 89 39 39 LYS CB C 30.8 . . 90 39 39 LYS N N 123.1 . . 91 40 40 TYR H H 8.57 . . 92 40 40 TYR C C 172.2 . . 93 40 40 TYR CA C 53.9 . . 94 40 40 TYR CB C 34.3 . . 95 40 40 TYR N N 127.1 . . 96 41 41 ASP H H 7.61 . . 97 41 41 ASP C C 171.3 . . 98 41 41 ASP CA C 46 . . 99 41 41 ASP CB C 39.3 . . 100 41 41 ASP N N 129.4 . . 101 42 42 PRO C C 173.9 . . 102 42 42 PRO CA C 59.7 . . 103 42 42 PRO CB C 28.2 . . 104 43 43 SER H H 8.35 . . 105 43 43 SER C C 172.7 . . 106 43 43 SER CA C 56.2 . . 107 43 43 SER CB C 60.7 . . 108 43 43 SER N N 115.6 . . 109 44 44 LEU H H 6.86 . . 110 44 44 LEU C C 174.6 . . 111 44 44 LEU CA C 52.1 . . 112 44 44 LEU CB C 37.2 . . 113 44 44 LEU N N 123.5 . . 114 45 45 LYS H H 7.42 . . 115 45 45 LYS C C 172 . . 116 45 45 LYS CA C 51.2 . . 117 45 45 LYS CB C 28 . . 118 45 45 LYS N N 123.6 . . 119 46 46 PRO C C 175.1 . . 120 46 46 PRO CA C 60 . . 121 46 46 PRO CB C 28 . . 122 47 47 LEU H H 8.84 . . 123 47 47 LEU C C 173.1 . . 124 47 47 LEU CA C 52 . . 125 47 47 LEU CB C 39.9 . . 126 47 47 LEU N N 127 . . 127 48 48 SER H H 8.45 . . 128 48 48 SER C C 168.8 . . 129 48 48 SER CA C 54.2 . . 130 48 48 SER CB C 60.3 . . 131 48 48 SER N N 122 . . 132 49 49 VAL H H 8.13 . . 133 49 49 VAL C C 172.7 . . 134 49 49 VAL CA C 58.1 . . 135 49 49 VAL CB C 27.8 . . 136 49 49 VAL N N 126.7 . . 137 50 50 CYS H H 8.38 . . 138 50 50 CYS C C 172 . . 139 50 50 CYS CA C 50.1 . . 140 50 50 CYS CB C 36.4 . . 141 50 50 CYS N N 127.4 . . 142 51 51 TYR H H 8.73 . . 143 51 51 TYR C C 174 . . 144 51 51 TYR CA C 49.8 . . 145 51 51 TYR CB C 35.2 . . 146 51 51 TYR N N 123.9 . . 147 52 52 ASP H H 8.61 . . 148 52 52 ASP C C 173.9 . . 149 52 52 ASP CA C 55 . . 150 52 52 ASP CB C 37.2 . . 151 52 52 ASP N N 122.2 . . 152 53 53 GLN H H 7.93 . . 153 53 53 GLN C C 172.4 . . 154 53 53 GLN CA C 51.4 . . 155 53 53 GLN CB C 25.1 . . 156 53 53 GLN N N 114.9 . . 157 54 54 ALA H H 7.26 . . 158 54 54 ALA C C 175.3 . . 159 54 54 ALA CA C 50.4 . . 160 54 54 ALA CB C 15.9 . . 161 54 54 ALA N N 120.6 . . 162 55 55 THR H H 9.26 . . 163 55 55 THR C C 170.4 . . 164 55 55 THR CA C 57.6 . . 165 55 55 THR CB C 68.7 . . 166 55 55 THR N N 121.1 . . 167 56 56 SER H H 9.88 . . 168 56 56 SER C C 170.8 . . 169 56 56 SER CA C 55.9 . . 170 56 56 SER CB C 60.6 . . 171 56 56 SER N N 127 . . 172 57 57 LEU H H 8.81 . . 173 57 57 LEU C C 175.4 . . 174 57 57 LEU CA C 52.5 . . 175 57 57 LEU CB C 42 . . 176 57 57 LEU N N 118 . . 177 58 58 ARG H H 7.07 . . 178 58 58 ARG C C 169 . . 179 58 58 ARG CA C 52 . . 180 58 58 ARG CB C 30.3 . . 181 58 58 ARG N N 115.3 . . 182 59 59 ILE H H 8.91 . . 183 59 59 ILE C C 169.7 . . 184 59 59 ILE CA C 54.7 . . 185 59 59 ILE CB C 38.2 . . 186 59 59 ILE N N 122.6 . . 187 60 60 LEU H H 8.56 . . 188 60 60 LEU C C 172.1 . . 189 60 60 LEU CA C 51.2 . . 190 60 60 LEU CB C 41.6 . . 191 60 60 LEU N N 124.1 . . 192 61 61 ASN H H 8.31 . . 193 61 61 ASN C C 173.8 . . 194 61 61 ASN CA C 48.8 . . 195 61 61 ASN CB C 35.5 . . 196 61 61 ASN N N 121.5 . . 197 62 62 ASN H H 7.9 . . 198 62 62 ASN C C 174.1 . . 199 62 62 ASN CA C 48.4 . . 200 62 62 ASN CB C 35.3 . . 201 62 62 ASN N N 123.7 . . 202 63 63 GLY H H 9.56 . . 203 63 63 GLY C C 170.2 . . 204 63 63 GLY CA C 42.1 . . 205 63 63 GLY N N 109.7 . . 206 65 65 ALA H H 8.46 . . 207 65 65 ALA C C 172.6 . . 208 65 65 ALA CA C 49 . . 209 65 65 ALA CB C 16.5 . . 210 65 65 ALA N N 123.9 . . 211 66 66 PHE H H 7.07 . . 212 66 66 PHE C C 171.2 . . 213 66 66 PHE CA C 52 . . 214 66 66 PHE CB C 38.5 . . 215 66 66 PHE N N 110.5 . . 216 67 67 ASN H H 8.85 . . 217 67 67 ASN C C 172.4 . . 218 67 67 ASN CA C 47.3 . . 219 67 67 ASN CB C 36.6 . . 220 67 67 ASN N N 121.2 . . 221 68 68 VAL H H 8.53 . . 222 68 68 VAL C C 172.5 . . 223 68 68 VAL CA C 58.3 . . 224 68 68 VAL CB C 27.2 . . 225 68 68 VAL N N 122.4 . . 226 69 69 GLU H H 8.35 . . 227 69 69 GLU C C 173.4 . . 228 69 69 GLU CA C 52.1 . . 229 69 69 GLU CB C 28.7 . . 230 69 69 GLU N N 124.3 . . 231 70 70 PHE H H 8.51 . . 232 70 70 PHE C C 172.2 . . 233 70 70 PHE CA C 53.8 . . 234 70 70 PHE CB C 38.5 . . 235 70 70 PHE N N 119.5 . . 236 71 71 ASP H H 8.32 . . 237 71 71 ASP C C 173.5 . . 238 71 71 ASP CA C 51.4 . . 239 71 71 ASP CB C 38 . . 240 71 71 ASP N N 117.4 . . 241 72 72 ASP H H 8.82 . . 242 72 72 ASP C C 173.8 . . 243 72 72 ASP CA C 49.8 . . 244 72 72 ASP CB C 37 . . 245 72 72 ASP N N 132.1 . . 246 73 73 SER H H 8.59 . . 247 73 73 SER C C 171.4 . . 248 73 73 SER CA C 57.7 . . 249 73 73 SER CB C 60.9 . . 250 73 73 SER N N 116.1 . . 251 74 74 GLN H H 7.53 . . 252 74 74 GLN C C 172.7 . . 253 74 74 GLN CA C 50.4 . . 254 74 74 GLN CB C 30.1 . . 255 74 74 GLN N N 118.1 . . 256 75 75 ASP H H 8.76 . . 257 75 75 ASP C C 172 . . 258 75 75 ASP CA C 51.8 . . 259 75 75 ASP CB C 35.6 . . 260 75 75 ASP N N 123.4 . . 261 76 76 LYS H H 7.85 . . 262 76 76 LYS C C 172.5 . . 263 76 76 LYS CA C 54.7 . . 264 76 76 LYS CB C 31 . . 265 76 76 LYS N N 124.6 . . 266 77 77 ALA H H 7.93 . . 267 77 77 ALA C C 172.2 . . 268 77 77 ALA CA C 48.1 . . 269 77 77 ALA CB C 15.6 . . 270 77 77 ALA N N 122.9 . . 271 78 78 VAL H H 8.23 . . 272 78 78 VAL C C 169.8 . . 273 78 78 VAL CA C 55.2 . . 274 78 78 VAL CB C 33.1 . . 275 78 78 VAL N N 117.3 . . 276 79 79 LEU H H 8.84 . . 277 79 79 LEU C C 171.8 . . 278 79 79 LEU CA C 49.7 . . 279 79 79 LEU CB C 42.4 . . 280 79 79 LEU N N 123.2 . . 281 80 80 LYS H H 8.28 . . 282 80 80 LYS C C 172 . . 283 80 80 LYS CA C 51.4 . . 284 80 80 LYS CB C 33.2 . . 285 80 80 LYS N N 120.4 . . 286 81 81 GLY H H 8.92 . . 287 81 81 GLY C C 171.4 . . 288 81 81 GLY CA C 41.2 . . 289 81 81 GLY N N 107 . . 290 82 82 GLY H H 6.97 . . 291 82 82 GLY C C 171.4 . . 292 82 82 GLY CA C 41.4 . . 293 82 82 GLY N N 109.5 . . 294 83 83 PRO C C 172.6 . . 295 83 83 PRO CA C 59.5 . . 296 83 83 PRO CB C 28.4 . . 297 84 84 LEU H H 7.66 . . 298 84 84 LEU C C 174.3 . . 299 84 84 LEU CA C 51.4 . . 300 84 84 LEU CB C 37.5 . . 301 84 84 LEU N N 120.9 . . 302 85 85 ASP H H 8.95 . . 303 85 85 ASP C C 173 . . 304 85 85 ASP CA C 50 . . 305 85 85 ASP CB C 38 . . 306 85 85 ASP N N 125.6 . . 307 86 86 GLY H H 7.79 . . 308 86 86 GLY C C 170.3 . . 309 86 86 GLY CA C 41.2 . . 310 86 86 GLY N N 110.1 . . 311 87 87 THR H H 8.35 . . 312 87 87 THR C C 170 . . 313 87 87 THR CA C 59.5 . . 314 87 87 THR CB C 67 . . 315 87 87 THR N N 116.9 . . 316 88 88 TYR H H 8.3 . . 317 88 88 TYR C C 172.6 . . 318 88 88 TYR CA C 52.1 . . 319 88 88 TYR CB C 36 . . 320 88 88 TYR N N 126.1 . . 321 89 89 ARG H H 8.48 . . 322 89 89 ARG C C 173.3 . . 323 89 89 ARG CA C 52.5 . . 324 89 89 ARG CB C 29.8 . . 325 89 89 ARG N N 123.4 . . 326 90 90 LEU H H 8.4 . . 327 90 90 LEU C C 172 . . 328 90 90 LEU CA C 52.7 . . 329 90 90 LEU CB C 38 . . 330 90 90 LEU N N 124.4 . . 331 92 92 GLN H H 7.15 . . 332 92 92 GLN C C 172.3 . . 333 92 92 GLN CA C 51.8 . . 334 92 92 GLN CB C 26.4 . . 335 92 92 GLN N N 115.6 . . 336 93 93 PHE H H 8.47 . . 337 93 93 PHE C C 169.7 . . 338 93 93 PHE CA C 52.8 . . 339 93 93 PHE CB C 41.3 . . 340 93 93 PHE N N 113.9 . . 341 94 94 HIS H H 8.06 . . 342 94 94 HIS C C 168.3 . . 343 94 94 HIS CA C 52.6 . . 344 94 94 HIS CB C 28.6 . . 345 94 94 HIS N N 113.5 . . 346 95 95 PHE H H 9.01 . . 347 95 95 PHE C C 169.8 . . 348 95 95 PHE CA C 52.7 . . 349 95 95 PHE CB C 40.1 . . 350 95 95 PHE N N 117.6 . . 351 96 96 HIS H H 8.62 . . 352 96 96 HIS C C 171.6 . . 353 96 96 HIS CA C 51.2 . . 354 96 96 HIS CB C 28 . . 355 96 96 HIS N N 115.6 . . 356 97 97 TRP H H 9.39 . . 357 97 97 TRP C C 172.7 . . 358 97 97 TRP CA C 55.5 . . 359 97 97 TRP CB C 28 . . 360 97 97 TRP N N 119.6 . . 361 98 98 GLY H H 7.94 . . 362 98 98 GLY C C 172.1 . . 363 98 98 GLY CA C 41 . . 364 98 98 GLY N N 108.4 . . 365 99 99 SER H H 8.26 . . 366 99 99 SER C C 170.7 . . 367 99 99 SER CA C 55.4 . . 368 99 99 SER CB C 59.4 . . 369 99 99 SER N N 112.4 . . 370 100 100 LEU H H 7.21 . . 371 100 100 LEU C C 174.8 . . 372 100 100 LEU CA C 50.4 . . 373 100 100 LEU CB C 41.7 . . 374 100 100 LEU N N 119.5 . . 375 101 101 ASP H H 8.76 . . 376 101 101 ASP C C 173.6 . . 377 101 101 ASP CA C 54 . . 378 101 101 ASP CB C 36.8 . . 379 101 101 ASP N N 120.9 . . 380 102 102 GLY H H 7.54 . . 381 102 102 GLY C C 169.6 . . 382 102 102 GLY CA C 42.3 . . 383 102 102 GLY N N 103.3 . . 384 103 103 GLN H H 7.71 . . 385 103 103 GLN C C 168.6 . . 386 103 103 GLN CA C 50.1 . . 387 103 103 GLN CB C 27.2 . . 388 103 103 GLN N N 115.5 . . 389 104 104 GLY H H 8.11 . . 390 104 104 GLY C C 168.2 . . 391 104 104 GLY CA C 43 . . 392 104 104 GLY N N 106.6 . . 393 105 105 SER H H 7.21 . . 394 105 105 SER C C 170 . . 395 105 105 SER CA C 55 . . 396 105 105 SER CB C 60 . . 397 105 105 SER N N 108.2 . . 398 106 106 GLU H H 8.16 . . 399 106 106 GLU C C 175 . . 400 106 106 GLU CA C 55.4 . . 401 106 106 GLU CB C 27.1 . . 402 106 106 GLU N N 119.5 . . 403 107 107 HIS H H 10.56 . . 404 107 107 HIS C C 170.9 . . 405 107 107 HIS CA C 56.9 . . 406 107 107 HIS CB C 25.5 . . 407 107 107 HIS N N 118.2 . . 408 108 108 THR H H 7.22 . . 409 108 108 THR C C 170.7 . . 410 108 108 THR CA C 56.2 . . 411 108 108 THR CB C 68.3 . . 412 108 108 THR N N 109.8 . . 413 109 109 VAL H H 7.5 . . 414 109 109 VAL C C 174.4 . . 415 109 109 VAL CA C 57.9 . . 416 109 109 VAL CB C 30.1 . . 417 109 109 VAL N N 119 . . 418 110 110 ASP H H 9.57 . . 419 110 110 ASP C C 173.6 . . 420 110 110 ASP CA C 53.3 . . 421 110 110 ASP CB C 35.8 . . 422 110 110 ASP N N 132.8 . . 423 111 111 LYS H H 9.72 . . 424 111 111 LYS C C 173.1 . . 425 111 111 LYS CA C 55 . . 426 111 111 LYS CB C 26.5 . . 427 111 111 LYS N N 110.4 . . 428 112 112 LYS H H 8.1 . . 429 112 112 LYS C C 172.1 . . 430 112 112 LYS CA C 53.5 . . 431 112 112 LYS CB C 29 . . 432 112 112 LYS N N 125.1 . . 433 113 113 LYS H H 7.84 . . 434 113 113 LYS C C 173.9 . . 435 113 113 LYS CA C 51.9 . . 436 113 113 LYS CB C 31.7 . . 437 113 113 LYS N N 122.4 . . 438 114 114 TYR H H 8.06 . . 439 114 114 TYR C C 170.8 . . 440 114 114 TYR CA C 54.6 . . 441 114 114 TYR CB C 36 . . 442 114 114 TYR N N 121.8 . . 443 115 115 ALA H H 7.44 . . 444 115 115 ALA C C 175.2 . . 445 115 115 ALA CA C 50.6 . . 446 115 115 ALA CB C 15.9 . . 447 115 115 ALA N N 121.3 . . 448 116 116 ALA H H 8.01 . . 449 116 116 ALA C C 172.7 . . 450 116 116 ALA CA C 48.2 . . 451 116 116 ALA CB C 18.7 . . 452 116 116 ALA N N 112.5 . . 453 117 117 GLU H H 9.3 . . 454 117 117 GLU C C 170.2 . . 455 117 117 GLU CA C 52.8 . . 456 117 117 GLU CB C 32.5 . . 457 117 117 GLU N N 121.4 . . 458 118 118 LEU H H 9.77 . . 459 118 118 LEU C C 171.8 . . 460 118 118 LEU CA C 50 . . 461 118 118 LEU CB C 39.9 . . 462 118 118 LEU N N 130.9 . . 463 119 119 HIS H H 8.87 . . 464 119 119 HIS C C 171 . . 465 119 119 HIS CA C 49 . . 466 119 119 HIS CB C 29.9 . . 467 119 119 HIS N N 125.6 . . 468 120 120 LEU H H 8.9 . . 469 120 120 LEU C C 172 . . 470 120 120 LEU CA C 52.5 . . 471 120 120 LEU CB C 38.5 . . 472 120 120 LEU N N 124.1 . . 473 121 121 VAL H H 9.07 . . 474 121 121 VAL C C 170.9 . . 475 121 121 VAL CA C 60.8 . . 476 121 121 VAL CB C 29.3 . . 477 121 121 VAL N N 126.9 . . 478 122 122 HIS H H 8.41 . . 479 122 122 HIS CA C 50.8 . . 480 122 122 HIS CB C 37.8 . . 481 122 122 HIS N N 124.6 . . 482 123 123 TRP H H 8.95 . . 483 123 123 TRP C C 171.4 . . 484 123 123 TRP CA C 50.6 . . 485 123 123 TRP CB C 30.3 . . 486 123 123 TRP N N 119.5 . . 487 124 124 ASN H H 8.94 . . 488 124 124 ASN C C 174.3 . . 489 124 124 ASN CA C 50.3 . . 490 124 124 ASN CB C 35.6 . . 491 124 124 ASN N N 120.3 . . 492 125 125 THR H H 8.07 . . 493 125 125 THR C C 174 . . 494 125 125 THR CA C 60.9 . . 495 125 125 THR CB C 65.3 . . 496 125 125 THR N N 117.9 . . 497 127 127 LYS H H 7.81 . . 498 127 127 LYS C C 174.6 . . 499 127 127 LYS CA C 55.1 . . 500 127 127 LYS CB C 28.4 . . 501 127 127 LYS N N 123.4 . . 502 128 128 TYR H H 7.56 . . 503 128 128 TYR C C 174.3 . . 504 128 128 TYR CA C 54.7 . . 505 128 128 TYR CB C 35.1 . . 506 128 128 TYR N N 116.1 . . 507 129 129 GLY H H 7.73 . . 508 129 129 GLY C C 170.5 . . 509 129 129 GLY CA C 44.7 . . 510 129 129 GLY N N 107.9 . . 511 130 130 ASP H H 7.3 . . 512 130 130 ASP C C 171.4 . . 513 130 130 ASP CA C 49.5 . . 514 130 130 ASP CB C 39.6 . . 515 130 130 ASP N N 116.8 . . 516 131 131 PHE H H 7.48 . . 517 131 131 PHE C C 172.5 . . 518 131 131 PHE CA C 58.3 . . 519 131 131 PHE CB C 36.1 . . 520 131 131 PHE N N 120.1 . . 521 132 132 GLY H H 7.95 . . 522 132 132 GLY C C 173.9 . . 523 132 132 GLY CA C 43.3 . . 524 132 132 GLY N N 105 . . 525 133 133 LYS H H 7.5 . . 526 133 133 LYS C C 176.4 . . 527 133 133 LYS CA C 54.8 . . 528 133 133 LYS CB C 29.3 . . 529 133 133 LYS N N 120.1 . . 530 134 134 ALA H H 7.8 . . 531 134 134 ALA C C 176.8 . . 532 134 134 ALA CA C 52.1 . . 533 134 134 ALA CB C 16.3 . . 534 134 134 ALA N N 123.8 . . 535 135 135 VAL H H 7.8 . . 536 135 135 VAL C C 171 . . 537 135 135 VAL CA C 60.7 . . 538 135 135 VAL CB C 27.6 . . 539 135 135 VAL N N 113.9 . . 540 136 136 GLN H H 6.44 . . 541 136 136 GLN C C 173.5 . . 542 136 136 GLN CA C 51.9 . . 543 136 136 GLN CB C 26.1 . . 544 136 136 GLN N N 113.9 . . 545 137 137 GLN H H 7.54 . . 546 137 137 GLN C C 172.7 . . 547 137 137 GLN CA C 49.2 . . 548 137 137 GLN CB C 25.2 . . 549 137 137 GLN N N 119.6 . . 550 138 138 PRO C C 173.5 . . 551 138 138 PRO CA C 61.9 . . 552 138 138 PRO CB C 28.3 . . 553 139 139 ASP H H 7.77 . . 554 139 139 ASP C C 175.6 . . 555 139 139 ASP CA C 48.8 . . 556 139 139 ASP CB C 35.7 . . 557 139 139 ASP N N 115 . . 558 140 140 GLY H H 8.15 . . 559 140 140 GLY C C 171.7 . . 560 140 140 GLY CA C 45.3 . . 561 140 140 GLY N N 108.7 . . 562 141 141 LEU H H 8.63 . . 563 141 141 LEU C C 174.5 . . 564 141 141 LEU CA C 49.3 . . 565 141 141 LEU CB C 43.3 . . 566 141 141 LEU N N 116.1 . . 567 142 142 ALA H H 8.77 . . 568 142 142 ALA C C 173.7 . . 569 142 142 ALA CA C 47.9 . . 570 142 142 ALA CB C 18.5 . . 571 142 142 ALA N N 123.9 . . 572 143 143 VAL H H 7.16 . . 573 143 143 VAL C C 170.2 . . 574 143 143 VAL CA C 56.7 . . 575 143 143 VAL CB C 28.1 . . 576 143 143 VAL N N 124.8 . . 577 144 144 LEU H H 8.35 . . 578 144 144 LEU C C 170.2 . . 579 144 144 LEU CA C 49.7 . . 580 144 144 LEU CB C 41.3 . . 581 144 144 LEU N N 128.7 . . 582 145 145 GLY H H 9.8 . . 583 145 145 GLY C C 168 . . 584 145 145 GLY CA C 40.8 . . 585 145 145 GLY N N 114.7 . . 586 146 146 ILE H H 9.02 . . 587 146 146 ILE C C 182 . . 588 146 146 ILE CA C 56 . . 589 146 146 ILE CB C 39.2 . . 590 146 146 ILE N N 124.7 . . 591 147 147 PHE H H 9.99 . . 592 147 147 PHE C C 172 . . 593 147 147 PHE CA C 55.1 . . 594 147 147 PHE CB C 36.6 . . 595 147 147 PHE N N 129.3 . . 596 148 148 LEU H H 8.1 . . 597 148 148 LEU C C 172.3 . . 598 148 148 LEU CA C 52.1 . . 599 148 148 LEU CB C 39.4 . . 600 148 148 LEU N N 120.7 . . 601 149 149 LYS H H 8.85 . . 602 149 149 LYS C C 171.8 . . 603 149 149 LYS CA C 49.8 . . 604 149 149 LYS CB C 32.7 . . 605 149 149 LYS N N 119.8 . . 606 150 150 VAL H H 8.32 . . 607 150 150 VAL C C 175.2 . . 608 150 150 VAL CA C 59.4 . . 609 150 150 VAL CB C 27.9 . . 610 150 150 VAL N N 121.8 . . 611 151 151 GLY H H 8.97 . . 612 151 151 GLY C C 169.9 . . 613 151 151 GLY CA C 43.7 . . 614 151 151 GLY N N 118.5 . . 615 152 152 SER H H 8.22 . . 616 152 152 SER C C 170.1 . . 617 152 152 SER CA C 55.5 . . 618 152 152 SER CB C 60.5 . . 619 152 152 SER N N 125 . . 620 153 153 ALA H H 8.24 . . 621 153 153 ALA C C 174.8 . . 622 153 153 ALA CA C 49.3 . . 623 153 153 ALA CB C 15.6 . . 624 153 153 ALA N N 121.5 . . 625 154 154 LYS H H 8.59 . . 626 154 154 LYS C C 174 . . 627 154 154 LYS CA C 48.5 . . 628 154 154 LYS CB C 29 . . 629 154 154 LYS N N 124.4 . . 630 157 157 LEU H H 7.42 . . 631 157 157 LEU C C 175.3 . . 632 157 157 LEU CA C 50.6 . . 633 157 157 LEU CB C 40.5 . . 634 157 157 LEU N N 117.3 . . 635 158 158 GLN H H 7.65 . . 636 158 158 GLN C C 173.7 . . 637 158 158 GLN CA C 56.2 . . 638 158 158 GLN CB C 24.5 . . 639 158 158 GLN N N 122.8 . . 640 159 159 LYS H H 8.71 . . 641 159 159 LYS C C 176.7 . . 642 159 159 LYS CA C 56.4 . . 643 159 159 LYS CB C 30 . . 644 159 159 LYS N N 116.3 . . 645 160 160 VAL H H 6.89 . . 646 160 160 VAL C C 173.5 . . 647 160 160 VAL CA C 61.5 . . 648 160 160 VAL CB C 28.3 . . 649 160 160 VAL N N 113.6 . . 650 161 161 VAL H H 7.15 . . 651 161 161 VAL C C 175.6 . . 652 161 161 VAL CA C 62.5 . . 653 161 161 VAL CB C 27.8 . . 654 161 161 VAL N N 114.8 . . 655 162 162 ASP H H 8.26 . . 656 162 162 ASP C C 174.7 . . 657 162 162 ASP CA C 53.6 . . 658 162 162 ASP CB C 37.4 . . 659 162 162 ASP N N 117.9 . . 660 163 163 VAL H H 7 . . 661 163 163 VAL C C 174.7 . . 662 163 163 VAL CA C 58 . . 663 163 163 VAL CB C 29.8 . . 664 163 163 VAL N N 114.5 . . 665 164 164 LEU H H 6.92 . . 666 164 164 LEU C C 175.9 . . 667 164 164 LEU CA C 54.3 . . 668 164 164 LEU CB C 36.2 . . 669 164 164 LEU N N 122.1 . . 670 165 165 ASP H H 8.08 . . 671 165 165 ASP C C 175.3 . . 672 165 165 ASP CA C 53.7 . . 673 165 165 ASP CB C 36.7 . . 674 165 165 ASP N N 116.6 . . 675 166 166 SER H H 7.85 . . 676 166 166 SER C C 171.9 . . 677 166 166 SER CA C 57 . . 678 166 166 SER CB C 60.9 . . 679 166 166 SER N N 114 . . 680 167 167 ILE H H 7.27 . . 681 167 167 ILE C C 171.7 . . 682 167 167 ILE CA C 55.8 . . 683 167 167 ILE CB C 34.5 . . 684 167 167 ILE N N 117 . . 685 168 168 LYS H H 7.25 . . 686 168 168 LYS C C 173 . . 687 168 168 LYS CA C 57.4 . . 688 168 168 LYS CB C 30 . . 689 168 168 LYS N N 117.9 . . 690 169 169 THR H H 6.44 . . 691 169 169 THR C C 171.4 . . 692 169 169 THR CA C 55.3 . . 693 169 169 THR CB C 68.3 . . 694 169 169 THR N N 99.6 . . 695 170 170 LYS H H 7.34 . . 696 170 170 LYS C C 175 . . 697 170 170 LYS CA C 54.8 . . 698 170 170 LYS CB C 28.1 . . 699 170 170 LYS N N 121 . . 700 171 171 GLY H H 8.74 . . 701 171 171 GLY C C 172.2 . . 702 171 171 GLY CA C 41.4 . . 703 171 171 GLY N N 117.3 . . 704 172 172 LYS H H 7.68 . . 705 172 172 LYS C C 172.3 . . 706 172 172 LYS CA C 53 . . 707 172 172 LYS CB C 30 . . 708 172 172 LYS N N 120.7 . . 709 173 173 SER H H 8.21 . . 710 173 173 SER C C 170.2 . . 711 173 173 SER CA C 53.6 . . 712 173 173 SER CB C 63.8 . . 713 173 173 SER N N 114.2 . . 714 174 174 ALA H H 8.9 . . 715 174 174 ALA C C 173.5 . . 716 174 174 ALA CA C 47.9 . . 717 174 174 ALA CB C 18.3 . . 718 174 174 ALA N N 123.9 . . 719 175 175 ASP H H 8.48 . . 720 175 175 ASP C C 173.1 . . 721 175 175 ASP CA C 52.8 . . 722 175 175 ASP CB C 37.8 . . 723 175 175 ASP N N 122.4 . . 724 176 176 PHE H H 7.88 . . 725 176 176 PHE C C 170.7 . . 726 176 176 PHE CA C 54.7 . . 727 176 176 PHE CB C 36.1 . . 728 176 176 PHE N N 125.8 . . 729 177 177 THR H H 7.97 . . 730 177 177 THR C C 171.8 . . 731 177 177 THR CA C 57.3 . . 732 177 177 THR CB C 68 . . 733 177 177 THR N N 115.4 . . 734 178 178 ASN H H 9.58 . . 735 178 178 ASN C C 171.5 . . 736 178 178 ASN CA C 51.4 . . 737 178 178 ASN CB C 33.9 . . 738 178 178 ASN N N 115.9 . . 739 179 179 PHE H H 8.14 . . 740 179 179 PHE C C 171.9 . . 741 179 179 PHE CA C 55.3 . . 742 179 179 PHE CB C 37.6 . . 743 179 179 PHE N N 119.4 . . 744 180 180 ASP H H 7.89 . . 745 180 180 ASP C C 173.2 . . 746 180 180 ASP CA C 46.6 . . 747 180 180 ASP CB C 37.9 . . 748 180 180 ASP N N 128.6 . . 749 181 181 PRO C C 174.2 . . 750 181 181 PRO CA C 60.9 . . 751 181 181 PRO CB C 27.7 . . 752 182 182 ARG H H 8.19 . . 753 182 182 ARG C C 176.4 . . 754 182 182 ARG CA C 56.2 . . 755 182 182 ARG CB C 25.7 . . 756 182 182 ARG N N 118.7 . . 757 183 183 GLY H H 7.16 . . 758 183 183 GLY C C 171.2 . . 759 183 183 GLY CA C 42.8 . . 760 183 183 GLY N N 103.3 . . 761 184 184 LEU H H 7.1 . . 762 184 184 LEU C C 170.5 . . 763 184 184 LEU CA C 50.6 . . 764 184 184 LEU CB C 38.1 . . 765 184 184 LEU N N 117.8 . . 766 185 185 LEU H H 6.49 . . 767 185 185 LEU C C 174.1 . . 768 185 185 LEU CA C 49.7 . . 769 185 185 LEU CB C 37.7 . . 770 185 185 LEU N N 113.6 . . 771 186 186 PRO C C 171.9 . . 772 186 186 PRO CA C 59 . . 773 186 186 PRO CB C 28.7 . . 774 187 187 GLU H H 8.03 . . 775 187 187 GLU C C 174.2 . . 776 187 187 GLU CA C 55.4 . . 777 187 187 GLU CB C 26.3 . . 778 187 187 GLU N N 116.9 . . 779 188 188 SER H H 7.5 . . 780 188 188 SER C C 173 . . 781 188 188 SER CA C 53.5 . . 782 188 188 SER CB C 61 . . 783 188 188 SER N N 111.9 . . 784 189 189 LEU H H 8.51 . . 785 189 189 LEU C C 173.7 . . 786 189 189 LEU CA C 50.3 . . 787 189 189 LEU CB C 37.1 . . 788 189 189 LEU N N 126.2 . . 789 190 190 ASP H H 7.3 . . 790 190 190 ASP C C 174.2 . . 791 190 190 ASP CA C 52.7 . . 792 190 190 ASP CB C 36.9 . . 793 190 190 ASP N N 122.4 . . 794 191 191 TYR H H 8.64 . . 795 191 191 TYR C C 169.8 . . 796 191 191 TYR CA C 53.8 . . 797 191 191 TYR CB C 39.8 . . 798 191 191 TYR N N 119.4 . . 799 192 192 TRP H H 9.42 . . 800 192 192 TRP C C 174.3 . . 801 192 192 TRP CA C 54.7 . . 802 192 192 TRP CB C 27.9 . . 803 192 192 TRP N N 117.6 . . 804 193 193 THR H H 9.57 . . 805 193 193 THR C C 168.1 . . 806 193 193 THR CA C 55.3 . . 807 193 193 THR CB C 67.5 . . 808 193 193 THR N N 115.6 . . 809 194 194 TYR H H 7.9 . . 810 194 194 TYR C C 168.3 . . 811 194 194 TYR CA C 53.2 . . 812 194 194 TYR CB C 36 . . 813 194 194 TYR N N 126 . . 814 195 195 PRO C C 174.1 . . 815 195 195 PRO CA C 58.6 . . 816 195 195 PRO CB C 27.8 . . 817 196 196 GLY H H 9.23 . . 818 196 196 GLY C C 171.3 . . 819 196 196 GLY CA C 43 . . 820 196 196 GLY N N 111.2 . . 821 197 197 SER H H 8.56 . . 822 197 197 SER C C 173.2 . . 823 197 197 SER CA C 53.9 . . 824 197 197 SER CB C 67.1 . . 825 197 197 SER N N 120.5 . . 826 198 198 LEU H H 7.89 . . 827 198 198 LEU C C 177.4 . . 828 198 198 LEU CA C 52.3 . . 829 198 198 LEU CB C 39.9 . . 830 198 198 LEU N N 118.7 . . 831 200 200 THR H H 6.84 . . 832 200 200 THR C C 169.2 . . 833 200 200 THR CA C 53.4 . . 834 200 200 THR CB C 65.8 . . 835 200 200 THR N N 109.2 . . 836 202 202 PRO C C 172.3 . . 837 202 202 PRO CA C 61 . . 838 202 202 PRO CB C 30.2 . . 839 203 203 LEU H H 9.01 . . 840 203 203 LEU C C 170.8 . . 841 203 203 LEU CA C 53.9 . . 842 203 203 LEU CB C 33.4 . . 843 203 203 LEU N N 120.9 . . 844 204 204 LEU H H 5.8 . . 845 204 204 LEU C C 176.3 . . 846 204 204 LEU CA C 52.3 . . 847 204 204 LEU CB C 37.9 . . 848 204 204 LEU N N 111.7 . . 849 205 205 GLU H H 8.55 . . 850 205 205 GLU C C 174.1 . . 851 205 205 GLU CA C 52.8 . . 852 205 205 GLU CB C 22.9 . . 853 205 205 GLU N N 125.4 . . 854 206 206 SER H H 7.34 . . 855 206 206 SER C C 170.7 . . 856 206 206 SER CA C 52.9 . . 857 206 206 SER CB C 63.1 . . 858 206 206 SER N N 114.1 . . 859 207 207 VAL H H 7.09 . . 860 207 207 VAL C C 173.6 . . 861 207 207 VAL CA C 58.3 . . 862 207 207 VAL CB C 32.2 . . 863 207 207 VAL N N 117.2 . . 864 208 208 THR H H 8.22 . . 865 208 208 THR C C 170.3 . . 866 208 208 THR CA C 60.2 . . 867 208 208 THR CB C 64.9 . . 868 208 208 THR N N 125.8 . . 869 209 209 TRP H H 8.1 . . 870 209 209 TRP C C 173.9 . . 871 209 209 TRP CA C 55.5 . . 872 209 209 TRP CB C 27.7 . . 873 209 209 TRP N N 129.7 . . 874 210 210 ILE H H 8.65 . . 875 210 210 ILE C C 170.7 . . 876 210 210 ILE CA C 58 . . 877 210 210 ILE CB C 35.9 . . 878 210 210 ILE N N 127.8 . . 879 211 211 VAL H H 9.6 . . 880 211 211 VAL C C 172.7 . . 881 211 211 VAL CA C 58 . . 882 211 211 VAL CB C 30 . . 883 211 211 VAL N N 128.8 . . 884 212 212 LEU H H 8.8 . . 885 212 212 LEU C C 173.9 . . 886 212 212 LEU CA C 52.2 . . 887 212 212 LEU CB C 36 . . 888 212 212 LEU N N 126.9 . . 889 213 213 LYS H H 7.26 . . 890 213 213 LYS C C 174.2 . . 891 213 213 LYS CA C 54.5 . . 892 213 213 LYS CB C 28.9 . . 893 213 213 LYS N N 122.8 . . 894 214 214 GLU H H 8.77 . . 895 214 214 GLU C C 172.1 . . 896 214 214 GLU CA C 50.4 . . 897 214 214 GLU CB C 27.2 . . 898 214 214 GLU N N 122.2 . . 899 215 215 PRO C C 176.1 . . 900 215 215 PRO CA C 58.6 . . 901 215 215 PRO CB C 29.7 . . 902 216 216 ILE H H 8.81 . . 903 216 216 ILE C C 171.7 . . 904 216 216 ILE CA C 56.9 . . 905 216 216 ILE CB C 37.4 . . 906 216 216 ILE N N 114 . . 907 217 217 SER H H 7.95 . . 908 217 217 SER C C 170.1 . . 909 217 217 SER CA C 53.8 . . 910 217 217 SER CB C 61.7 . . 911 217 217 SER N N 117 . . 912 218 218 VAL H H 8.41 . . 913 218 218 VAL C C 172 . . 914 218 218 VAL CA C 55.7 . . 915 218 218 VAL CB C 30.3 . . 916 218 218 VAL N N 116.4 . . 917 219 219 SER H H 8.28 . . 918 219 219 SER C C 174.1 . . 919 219 219 SER CA C 53.2 . . 920 219 219 SER CB C 62.4 . . 921 219 219 SER N N 116.4 . . 922 220 220 SER H H 9.17 . . 923 220 220 SER C C 174 . . 924 220 220 SER CA C 58.8 . . 925 220 220 SER CB C 62.5 . . 926 220 220 SER N N 117.7 . . 927 221 221 GLU H H 8.27 . . 928 221 221 GLU C C 175.8 . . 929 221 221 GLU CA C 56.6 . . 930 221 221 GLU CB C 25.8 . . 931 221 221 GLU N N 118.9 . . 932 222 222 GLN H H 7.4 . . 933 222 222 GLN C C 173.6 . . 934 222 222 GLN CA C 56.3 . . 935 222 222 GLN CB C 24.8 . . 936 222 222 GLN N N 118.4 . . 937 223 223 VAL H H 7.23 . . 938 223 223 VAL C C 174.8 . . 939 223 223 VAL CA C 61.4 . . 940 223 223 VAL CB C 27.9 . . 941 223 223 VAL N N 115.2 . . 942 224 224 LEU H H 7.87 . . 943 224 224 LEU C C 176.6 . . 944 224 224 LEU CA C 55.1 . . 945 224 224 LEU CB C 37.9 . . 946 224 224 LEU N N 121.3 . . 947 225 225 LYS H H 6.77 . . 948 225 225 LYS C C 176.9 . . 949 225 225 LYS CA C 55.2 . . 950 225 225 LYS CB C 27.8 . . 951 225 225 LYS N N 115.5 . . 952 226 226 PHE H H 6.98 . . 953 226 226 PHE C C 173.1 . . 954 226 226 PHE CA C 55.5 . . 955 226 226 PHE CB C 30.2 . . 956 226 226 PHE N N 119.2 . . 957 227 227 ARG H H 6.55 . . 958 227 227 ARG C C 172.5 . . 959 227 227 ARG CA C 53.9 . . 960 227 227 ARG CB C 26.1 . . 961 227 227 ARG N N 109.5 . . 962 228 228 LYS H H 6.72 . . 963 228 228 LYS C C 175.2 . . 964 228 228 LYS CA C 52 . . 965 228 228 LYS CB C 29.2 . . 966 228 228 LYS N N 114.6 . . 967 229 229 LEU H H 6.97 . . 968 229 229 LEU C C 173.3 . . 969 229 229 LEU CA C 52.6 . . 970 229 229 LEU CB C 40.2 . . 971 229 229 LEU N N 119.7 . . 972 230 230 ASN H H 8.78 . . 973 230 230 ASN C C 171.8 . . 974 230 230 ASN CA C 48.8 . . 975 230 230 ASN CB C 38.1 . . 976 230 230 ASN N N 118.8 . . 977 231 231 PHE H H 8.75 . . 978 231 231 PHE C C 173.9 . . 979 231 231 PHE CA C 56.2 . . 980 231 231 PHE CB C 37.7 . . 981 231 231 PHE N N 117.5 . . 982 232 232 ASN H H 8.03 . . 983 232 232 ASN C C 172.9 . . 984 232 232 ASN CA C 50.1 . . 985 232 232 ASN CB C 37.8 . . 986 232 232 ASN N N 111 . . 987 233 233 GLY H H 8.54 . . 988 233 233 GLY C C 171.7 . . 989 233 233 GLY CA C 40.9 . . 990 233 233 GLY N N 105.2 . . 991 234 234 GLU H H 8.26 . . 992 234 234 GLU C C 174.9 . . 993 234 234 GLU CA C 54.9 . . 994 234 234 GLU CB C 26.1 . . 995 234 234 GLU N N 121.9 . . 996 235 235 GLY H H 8.94 . . 997 235 235 GLY C C 171 . . 998 235 235 GLY CA C 42.1 . . 999 235 235 GLY N N 114.6 . . 1000 236 236 GLU H H 7.23 . . 1001 236 236 GLU C C 170.6 . . 1002 236 236 GLU CA C 50.6 . . 1003 236 236 GLU CB C 26.5 . . 1004 236 236 GLU N N 120.5 . . 1005 237 237 PRO C C 173.8 . . 1006 237 237 PRO CA C 60.1 . . 1007 238 238 GLU H H 8.12 . . 1008 238 238 GLU C C 174.1 . . 1009 238 238 GLU CA C 54.8 . . 1010 238 238 GLU CB C 27.4 . . 1011 238 238 GLU N N 123.7 . . 1012 239 239 GLU H H 8.89 . . 1013 239 239 GLU C C 172.5 . . 1014 239 239 GLU CA C 52.2 . . 1015 239 239 GLU CB C 29.5 . . 1016 239 239 GLU N N 130.3 . . 1017 240 240 LEU H H 8.62 . . 1018 240 240 LEU C C 173.1 . . 1019 240 240 LEU CA C 53 . . 1020 240 240 LEU CB C 38 . . 1021 240 240 LEU N N 126.3 . . 1022 241 241 MET H H 8.5 . . 1023 241 241 MET C C 168.3 . . 1024 241 241 MET CA C 50.9 . . 1025 241 241 MET CB C 28.3 . . 1026 241 241 MET N N 123.5 . . 1027 242 242 VAL H H 6.59 . . 1028 242 242 VAL C C 171.7 . . 1029 242 242 VAL CA C 56 . . 1030 242 242 VAL CB C 34.1 . . 1031 242 242 VAL N N 115.4 . . 1032 243 243 ASP H H 7.01 . . 1033 243 243 ASP C C 172.2 . . 1034 243 243 ASP CA C 53.3 . . 1035 243 243 ASP CB C 34.8 . . 1036 243 243 ASP N N 115.2 . . 1037 244 244 ASN H H 8.26 . . 1038 244 244 ASN C C 170.4 . . 1039 244 244 ASN CA C 47.5 . . 1040 244 244 ASN CB C 32.4 . . 1041 244 244 ASN N N 119.8 . . 1042 245 245 TRP H H 6.35 . . 1043 245 245 TRP C C 170.2 . . 1044 245 245 TRP CA C 47.9 . . 1045 245 245 TRP CB C 29.3 . . 1046 245 245 TRP N N 114.7 . . 1047 246 246 ARG H H 10.29 . . 1048 246 246 ARG C C 171.1 . . 1049 246 246 ARG CA C 49.5 . . 1050 246 246 ARG CB C 29.1 . . 1051 246 246 ARG N N 127.3 . . 1052 247 247 PRO C C 173.3 . . 1053 247 247 PRO CA C 58.7 . . 1054 247 247 PRO CB C 29.4 . . 1055 248 248 ALA H H 7.86 . . 1056 248 248 ALA C C 174.3 . . 1057 248 248 ALA CA C 50.3 . . 1058 248 248 ALA CB C 14.9 . . 1059 248 248 ALA N N 120.7 . . 1060 249 249 GLN H H 8.58 . . 1061 249 249 GLN C C 170.1 . . 1062 249 249 GLN CA C 48.5 . . 1063 249 249 GLN CB C 24.9 . . 1064 249 249 GLN N N 122.5 . . 1065 250 250 PRO C C 174.6 . . 1066 250 250 PRO CA C 59.5 . . 1067 250 250 PRO CB C 28 . . 1068 251 251 LEU H H 8.55 . . 1069 251 251 LEU C C 176 . . 1070 251 251 LEU CA C 54.1 . . 1071 251 251 LEU CB C 38.6 . . 1072 251 251 LEU N N 126.3 . . 1073 252 252 LYS H H 8.74 . . 1074 252 252 LYS C C 174 . . 1075 252 252 LYS CA C 54.4 . . 1076 252 252 LYS CB C 25.9 . . 1077 252 252 LYS N N 115.1 . . 1078 253 253 ASN H H 8.57 . . 1079 253 253 ASN C C 172.2 . . 1080 253 253 ASN CA C 50.6 . . 1081 253 253 ASN CB C 34.7 . . 1082 253 253 ASN N N 120.2 . . 1083 254 254 ARG H H 7.17 . . 1084 254 254 ARG C C 171.7 . . 1085 254 254 ARG CA C 52.9 . . 1086 254 254 ARG CB C 30.8 . . 1087 254 254 ARG N N 119.1 . . 1088 255 255 GLN H H 8.46 . . 1089 255 255 GLN C C 172 . . 1090 255 255 GLN CA C 51.2 . . 1091 255 255 GLN CB C 28 . . 1092 255 255 GLN N N 118.7 . . 1093 256 256 ILE H H 8.79 . . 1094 256 256 ILE C C 173.5 . . 1095 256 256 ILE CA C 58 . . 1096 256 256 ILE CB C 34.1 . . 1097 256 256 ILE N N 124.8 . . 1098 257 257 LYS H H 8.66 . . 1099 257 257 LYS C C 172.4 . . 1100 257 257 LYS CA C 51.3 . . 1101 257 257 LYS CB C 32.5 . . 1102 257 257 LYS N N 127 . . 1103 258 258 ALA H H 8.23 . . 1104 258 258 ALA C C 173.7 . . 1105 258 258 ALA CA C 46.3 . . 1106 258 258 ALA CB C 18.7 . . 1107 258 258 ALA N N 124 . . 1108 259 259 SER H H 8.84 . . 1109 259 259 SER C C 169.4 . . 1110 259 259 SER CA C 55.7 . . 1111 259 259 SER CB C 60.4 . . 1112 259 259 SER N N 116.9 . . 1113 260 260 PHE H H 6.51 . . 1114 260 260 PHE C C 168.4 . . 1115 260 260 PHE CA C 50.3 . . 1116 260 260 PHE CB C 38.7 . . 1117 260 260 PHE N N 118.4 . . 1118 261 261 LYS H H 7.62 . . 1119 261 261 LYS C C 178.7 . . 1120 261 261 LYS CA C 54 . . 1121 261 261 LYS CB C 30 . . 1122 261 261 LYS N N 124.9 . . stop_ save_