data_27617 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N backbone chemical shift assignments of KPC-2 ; _BMRB_accession_number 27617 _BMRB_flat_file_name bmr27617.str _Entry_type original _Submission_date 2018-09-19 _Accession_date 2018-09-19 _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 VanPelt Jamie . . 2 Ramelot Theresa A. . 3 Page Richard C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 248 "13C chemical shifts" 761 "15N chemical shifts" 248 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-10 update BMRB 'update entry citation' 2018-12-14 original author 'original release' stop_ _Original_release_date 2018-09-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title . _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30552637 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 VanPelt Jamie . . 2 Shurina Ben A. . 3 Ramelot Theresa A. . 4 Bonomo Robert A. . 5 Page Richard C. . stop_ _Journal_abbreviation 'Biomol NMR Assign' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 13 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 139 _Page_last 142 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name KPC-2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label KPC-2 $KPC-2 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_KPC-2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common KPC-2 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'beta-lactamase, hydrolase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 265 _Mol_residue_sequence ; LTNLVAEPFAKLEQDFGGSI GVYAMDTGSGATVSYRAEER FPLCSSFKGFLAAAVLARSQ QQAGLLDTPIRYGKNALVPW SPISEKYLTTGMTVAELSAA AVQYSDNAAANLLLKELGGP AGLTAFMRSIGDTTFRLDRW ELELNSAIPGDARDTSSPRA VTESLQKLTLGSALAAPQRQ QFVDWLKGNTTGNHRIRAAV PADWAVGDKTGTCGVYGTAN DYAVVWPTGRAPIVLAVYTR APNKDDKHSEAVIAAAARLA LEGLG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 26 LEU 2 27 THR 3 28 ASN 4 29 LEU 5 30 VAL 6 31 ALA 7 32 GLU 8 33 PRO 9 34 PHE 10 35 ALA 11 36 LYS 12 37 LEU 13 38 GLU 14 39 GLN 15 40 ASP 16 41 PHE 17 42 GLY 18 43 GLY 19 44 SER 20 45 ILE 21 46 GLY 22 47 VAL 23 48 TYR 24 49 ALA 25 50 MET 26 51 ASP 27 52 THR 28 53 GLY 29 54 SER 30 55 GLY 31 56 ALA 32 57 THR 33 58 VAL 34 59 SER 35 60 TYR 36 61 ARG 37 62 ALA 38 63 GLU 39 64 GLU 40 65 ARG 41 66 PHE 42 67 PRO 43 68 LEU 44 69 CYS 45 70 SER 46 71 SER 47 72 PHE 48 73 LYS 49 74 GLY 50 75 PHE 51 76 LEU 52 77 ALA 53 78 ALA 54 79 ALA 55 80 VAL 56 81 LEU 57 82 ALA 58 83 ARG 59 84 SER 60 85 GLN 61 86 GLN 62 87 GLN 63 88 ALA 64 89 GLY 65 90 LEU 66 91 LEU 67 92 ASP 68 93 THR 69 94 PRO 70 95 ILE 71 96 ARG 72 97 TYR 73 98 GLY 74 99 LYS 75 100 ASN 76 101 ALA 77 102 LEU 78 103 VAL 79 104 PRO 80 105 TRP 81 106 SER 82 107 PRO 83 108 ILE 84 109 SER 85 110 GLU 86 111 LYS 87 112 TYR 88 113 LEU 89 114 THR 90 115 THR 91 116 GLY 92 117 MET 93 118 THR 94 119 VAL 95 120 ALA 96 121 GLU 97 122 LEU 98 123 SER 99 124 ALA 100 125 ALA 101 126 ALA 102 127 VAL 103 128 GLN 104 129 TYR 105 130 SER 106 131 ASP 107 132 ASN 108 133 ALA 109 134 ALA 110 135 ALA 111 136 ASN 112 137 LEU 113 138 LEU 114 139 LEU 115 140 LYS 116 141 GLU 117 142 LEU 118 143 GLY 119 144 GLY 120 145 PRO 121 146 ALA 122 147 GLY 123 148 LEU 124 149 THR 125 150 ALA 126 151 PHE 127 152 MET 128 153 ARG 129 154 SER 130 155 ILE 131 156 GLY 132 157 ASP 133 158 THR 134 159 THR 135 160 PHE 136 161 ARG 137 162 LEU 138 163 ASP 139 164 ARG 140 165 TRP 141 166 GLU 142 167 LEU 143 168 GLU 144 169 LEU 145 170 ASN 146 171 SER 147 172 ALA 148 173 ILE 149 174 PRO 150 175 GLY 151 176 ASP 152 177 ALA 153 178 ARG 154 179 ASP 155 180 THR 156 181 SER 157 182 SER 158 183 PRO 159 184 ARG 160 185 ALA 161 186 VAL 162 187 THR 163 188 GLU 164 189 SER 165 190 LEU 166 191 GLN 167 192 LYS 168 193 LEU 169 194 THR 170 195 LEU 171 196 GLY 172 197 SER 173 198 ALA 174 199 LEU 175 200 ALA 176 201 ALA 177 202 PRO 178 203 GLN 179 204 ARG 180 205 GLN 181 206 GLN 182 207 PHE 183 208 VAL 184 209 ASP 185 210 TRP 186 211 LEU 187 212 LYS 188 213 GLY 189 214 ASN 190 215 THR 191 216 THR 192 217 GLY 193 218 ASN 194 219 HIS 195 220 ARG 196 221 ILE 197 222 ARG 198 223 ALA 199 224 ALA 200 225 VAL 201 226 PRO 202 227 ALA 203 228 ASP 204 229 TRP 205 230 ALA 206 231 VAL 207 232 GLY 208 233 ASP 209 234 LYS 210 235 THR 211 236 GLY 212 237 THR 213 238 CYS 214 239 GLY 215 240 VAL 216 241 TYR 217 242 GLY 218 243 THR 219 244 ALA 220 245 ASN 221 246 ASP 222 247 TYR 223 248 ALA 224 249 VAL 225 250 VAL 226 251 TRP 227 252 PRO 228 253 THR 229 254 GLY 230 255 ARG 231 256 ALA 232 257 PRO 233 258 ILE 234 259 VAL 235 260 LEU 236 261 ALA 237 262 VAL 238 263 TYR 239 264 THR 240 265 ARG 241 266 ALA 242 267 PRO 243 268 ASN 244 269 LYS 245 270 ASP 246 271 ASP 247 272 LYS 248 273 HIS 249 274 SER 250 275 GLU 251 276 ALA 252 277 VAL 253 278 ILE 254 279 ALA 255 280 ALA 256 281 ALA 257 282 ALA 258 283 ARG 259 284 LEU 260 285 ALA 261 286 LEU 262 287 GLU 263 288 GLY 264 289 LEU 265 290 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 $KPC-2 'Klebsiella pneumoniae' 573 Bacteria . Klebsiella pneumoniae 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 $KPC-2 'recombinant technology' . Escherichia coli BL21(DE3) pet30a 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 $KPC-2 0.55 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' glycerol 3 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details NMRFAM-Sparky save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _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_2D_1H-15N_HSQC_NH2_only_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _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_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _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' 70 . mM pH 5.9 . pH pressure 1 . atm temperature 308 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' 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 KPC-2 _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 26 1 LEU C C 177.7 0.2 1 2 27 2 THR H H 8.02 0.02 1 3 27 2 THR C C 174.3 0.2 1 4 27 2 THR CA C 62.1 0.2 1 5 27 2 THR CB C 69.6 0.2 1 6 27 2 THR N N 114.1 0.2 1 7 28 3 ASN H H 8.41 0.02 1 8 28 3 ASN C C 175.4 0.2 1 9 28 3 ASN CA C 53.5 0.2 1 10 28 3 ASN CB C 38.7 0.2 1 11 28 3 ASN N N 120.6 0.2 1 12 29 4 LEU H H 8.23 0.02 1 13 29 4 LEU C C 177.8 0.2 1 14 29 4 LEU CA C 55.8 0.2 1 15 29 4 LEU CB C 42.2 0.2 1 16 29 4 LEU N N 122.5 0.2 1 17 30 5 VAL H H 7.93 0.02 1 18 30 5 VAL C C 175.7 0.2 1 19 30 5 VAL CA C 62.5 0.2 1 20 30 5 VAL CB C 32.3 0.2 1 21 30 5 VAL N N 117.9 0.2 1 22 31 6 ALA H H 8.01 0.02 1 23 31 6 ALA C C 178.3 0.2 1 24 31 6 ALA CA C 53.8 0.2 1 25 31 6 ALA CB C 19.7 0.2 1 26 31 6 ALA N N 124.3 0.2 1 27 32 7 GLU H H 8.22 0.02 1 28 32 7 GLU C C 175.7 0.2 1 29 32 7 GLU CA C 58.9 0.2 1 30 32 7 GLU CB C 28.1 0.2 1 31 32 7 GLU N N 118.7 0.2 1 32 33 8 PRO C C 179.5 0.2 1 33 33 8 PRO CA C 65.7 0.2 1 34 33 8 PRO CB C 31.5 0.2 1 35 34 9 PHE H H 7.52 0.02 1 36 34 9 PHE C C 177.1 0.2 1 37 34 9 PHE CA C 59.5 0.2 1 38 34 9 PHE CB C 37.0 0.2 1 39 34 9 PHE N N 117.1 0.2 1 40 35 10 ALA H H 7.82 0.02 1 41 35 10 ALA C C 180.9 0.2 1 42 35 10 ALA CA C 55.1 0.2 1 43 35 10 ALA CB C 18.1 0.2 1 44 35 10 ALA N N 122.3 0.2 1 45 36 11 LYS H H 7.90 0.02 1 46 36 11 LYS C C 178.5 0.2 1 47 36 11 LYS CA C 59.0 0.2 1 48 36 11 LYS CB C 31.9 0.2 1 49 36 11 LYS N N 118.8 0.2 1 50 37 12 LEU H H 7.44 0.02 1 51 37 12 LEU C C 179.5 0.2 1 52 37 12 LEU CA C 57.7 0.2 1 53 37 12 LEU CB C 42.1 0.2 1 54 37 12 LEU N N 120.1 0.2 1 55 38 13 GLU H H 8.43 0.02 1 56 38 13 GLU C C 178.9 0.2 1 57 38 13 GLU CA C 60.5 0.2 1 58 38 13 GLU CB C 29.8 0.2 1 59 38 13 GLU N N 118.0 0.2 1 60 39 14 GLN H H 8.13 0.02 1 61 39 14 GLN C C 178.7 0.2 1 62 39 14 GLN CA C 58.8 0.2 1 63 39 14 GLN CB C 28.3 0.2 1 64 39 14 GLN N N 120.9 0.2 1 65 40 15 ASP H H 8.09 0.02 1 66 40 15 ASP C C 177.9 0.2 1 67 40 15 ASP CA C 57.0 0.2 1 68 40 15 ASP CB C 40.6 0.2 1 69 40 15 ASP N N 120.3 0.2 1 70 41 16 PHE H H 8.26 0.02 1 71 41 16 PHE C C 175.5 0.2 1 72 41 16 PHE CA C 57.3 0.2 1 73 41 16 PHE CB C 41.0 0.2 1 74 41 16 PHE N N 119.2 0.2 1 75 42 17 GLY H H 8.34 0.02 1 76 42 17 GLY C C 174.4 0.2 1 77 42 17 GLY CA C 44.9 0.2 1 78 42 17 GLY N N 106.7 0.2 1 79 43 18 GLY H H 6.90 0.02 1 80 43 18 GLY C C 172.4 0.2 1 81 43 18 GLY CA C 45.2 0.2 1 82 43 18 GLY N N 106.3 0.2 1 83 44 19 SER H H 9.52 0.02 1 84 44 19 SER C C 173.2 0.2 1 85 44 19 SER CA C 57.4 0.2 1 86 44 19 SER CB C 65.8 0.2 1 87 44 19 SER N N 118.2 0.2 1 88 45 20 ILE H H 10.10 0.02 1 89 45 20 ILE C C 172.3 0.2 1 90 45 20 ILE CA C 59.9 0.2 1 91 45 20 ILE CB C 41.7 0.2 1 92 45 20 ILE N N 124.6 0.2 1 93 46 21 GLY H H 9.08 0.02 1 94 46 21 GLY C C 172.7 0.2 1 95 46 21 GLY CA C 44.4 0.2 1 96 46 21 GLY N N 111.3 0.2 1 97 47 22 VAL H H 9.65 0.02 1 98 47 22 VAL C C 174.7 0.2 1 99 47 22 VAL CA C 59.6 0.2 1 100 47 22 VAL CB C 36.8 0.2 1 101 47 22 VAL N N 122.8 0.2 1 102 48 23 TYR H H 8.31 0.02 1 103 48 23 TYR C C 173.0 0.2 1 104 48 23 TYR CA C 58.1 0.2 1 105 48 23 TYR CB C 41.6 0.2 1 106 48 23 TYR N N 125.2 0.2 1 107 49 24 ALA H H 8.26 0.02 1 108 49 24 ALA C C 174.2 0.2 1 109 49 24 ALA CA C 49.8 0.2 1 110 49 24 ALA CB C 24.4 0.2 1 111 49 24 ALA N N 128.1 0.2 1 112 50 25 MET H H 9.21 0.02 1 113 50 25 MET C C 173.6 0.2 1 114 50 25 MET CA C 53.7 0.2 1 115 50 25 MET CB C 37.3 0.2 1 116 50 25 MET N N 118.3 0.2 1 117 51 26 ASP H H 8.71 0.02 1 118 51 26 ASP C C 177.3 0.2 1 119 51 26 ASP CA C 53.2 0.2 1 120 51 26 ASP CB C 42.3 0.2 1 121 51 26 ASP N N 125.4 0.2 1 122 52 27 THR H H 8.07 0.02 1 123 52 27 THR C C 175.4 0.2 1 124 52 27 THR CA C 64.4 0.2 1 125 52 27 THR CB C 68.4 0.2 1 126 52 27 THR N N 115.9 0.2 1 127 53 28 GLY H H 9.07 0.02 1 128 53 28 GLY C C 174.4 0.2 1 129 53 28 GLY CA C 46.2 0.2 1 130 53 28 GLY N N 111.1 0.2 1 131 54 29 SER H H 7.61 0.02 1 132 54 29 SER C C 176.3 0.2 1 133 54 29 SER CA C 58.0 0.2 1 134 54 29 SER CB C 65.5 0.2 1 135 54 29 SER N N 114.8 0.2 1 136 55 30 GLY H H 8.34 0.02 1 137 55 30 GLY C C 173.6 0.2 1 138 55 30 GLY CA C 45.3 0.2 1 139 55 30 GLY N N 112.3 0.2 1 140 56 31 ALA H H 8.07 0.02 1 141 56 31 ALA C C 176.1 0.2 1 142 56 31 ALA CA C 53.1 0.2 1 143 56 31 ALA CB C 19.7 0.2 1 144 56 31 ALA N N 123.9 0.2 1 145 57 32 THR H H 7.88 0.02 1 146 57 32 THR C C 174.5 0.2 1 147 57 32 THR CA C 59.2 0.2 1 148 57 32 THR CB C 73.9 0.2 1 149 57 32 THR N N 108.4 0.2 1 150 58 33 VAL H H 8.20 0.02 1 151 58 33 VAL C C 173.6 0.2 1 152 58 33 VAL CA C 61.7 0.2 1 153 58 33 VAL CB C 35.8 0.2 1 154 58 33 VAL N N 121.0 0.2 1 155 59 34 SER H H 8.37 0.02 1 156 59 34 SER C C 173.4 0.2 1 157 59 34 SER CA C 56.5 0.2 1 158 59 34 SER CB C 66.1 0.2 1 159 59 34 SER N N 118.5 0.2 1 160 60 35 TYR H H 8.94 0.02 1 161 60 35 TYR C C 173.3 0.2 1 162 60 35 TYR CA C 60.1 0.2 1 163 60 35 TYR CB C 40.9 0.2 1 164 60 35 TYR N N 125.6 0.2 1 165 61 36 ARG H H 8.68 0.02 1 166 61 36 ARG C C 176.9 0.2 1 167 61 36 ARG CA C 58.0 0.2 1 168 61 36 ARG CB C 27.3 0.2 1 169 61 36 ARG N N 124.1 0.2 1 170 62 37 ALA H H 7.80 0.02 1 171 62 37 ALA C C 177.6 0.2 1 172 62 37 ALA CA C 55.0 0.2 1 173 62 37 ALA CB C 21.6 0.2 1 174 62 37 ALA N N 115.0 0.2 1 175 63 38 GLU H H 8.31 0.02 1 176 63 38 GLU C C 177.3 0.2 1 177 63 38 GLU CA C 54.7 0.2 1 178 63 38 GLU CB C 29.4 0.2 1 179 63 38 GLU N N 111.5 0.2 1 180 64 39 GLU H H 7.14 0.02 1 181 64 39 GLU C C 174.6 0.2 1 182 64 39 GLU CA C 56.4 0.2 1 183 64 39 GLU CB C 31.0 0.2 1 184 64 39 GLU N N 120.5 0.2 1 185 65 40 ARG H H 7.85 0.02 1 186 65 40 ARG C C 177.8 0.2 1 187 65 40 ARG CA C 56.0 0.2 1 188 65 40 ARG CB C 31.3 0.2 1 189 65 40 ARG N N 115.0 0.2 1 190 66 41 PHE H H 9.06 0.02 1 191 66 41 PHE C C 172.8 0.2 1 192 66 41 PHE CA C 54.9 0.2 1 193 66 41 PHE CB C 43.7 0.2 1 194 66 41 PHE N N 119.4 0.2 1 195 67 42 PRO C C 176.4 0.2 1 196 67 42 PRO CA C 63.1 0.2 1 197 67 42 PRO CB C 32.0 0.2 1 198 68 43 LEU H H 8.55 0.02 1 199 68 43 LEU C C 181.5 0.2 1 200 68 43 LEU CA C 57.3 0.2 1 201 68 43 LEU CB C 44.2 0.2 1 202 68 43 LEU N N 121.6 0.2 1 203 69 44 CYS H H 10.95 0.02 1 204 69 44 CYS C C 175.2 0.2 1 205 69 44 CYS CA C 56.0 0.2 1 206 69 44 CYS CB C 40.3 0.2 1 207 69 44 CYS N N 123.8 0.2 1 208 70 45 SER C C 175.7 0.2 1 209 70 45 SER CA C 60.0 0.2 1 210 70 45 SER CB C 63.0 0.2 1 211 71 46 SER H H 8.40 0.02 1 212 71 46 SER C C 177.7 0.2 1 213 71 46 SER CA C 62.4 0.2 1 214 71 46 SER CB C 61.8 0.2 1 215 71 46 SER N N 119.5 0.2 1 216 72 47 PHE H H 7.55 0.02 1 217 72 47 PHE C C 175.4 0.2 1 218 72 47 PHE CA C 60.3 0.2 1 219 72 47 PHE CB C 39.1 0.2 1 220 72 47 PHE N N 120.3 0.2 1 221 73 48 LYS H H 7.65 0.02 1 222 73 48 LYS C C 177.8 0.2 1 223 73 48 LYS CA C 59.1 0.2 1 224 73 48 LYS CB C 32.5 0.2 1 225 73 48 LYS N N 120.7 0.2 1 226 74 49 GLY H H 6.80 0.02 1 227 74 49 GLY C C 173.3 0.2 1 228 74 49 GLY CA C 46.5 0.2 1 229 74 49 GLY N N 99.9 0.2 1 230 75 50 PHE H H 6.19 0.02 1 231 75 50 PHE C C 176.2 0.2 1 232 75 50 PHE CA C 60.5 0.2 1 233 75 50 PHE CB C 38.3 0.2 1 234 75 50 PHE N N 119.9 0.2 1 235 76 51 LEU H H 8.29 0.02 1 236 76 51 LEU C C 176.4 0.2 1 237 76 51 LEU CA C 57.8 0.2 1 238 76 51 LEU CB C 43.1 0.2 1 239 76 51 LEU N N 118.8 0.2 1 240 77 52 ALA H H 7.31 0.02 1 241 77 52 ALA C C 178.9 0.2 1 242 77 52 ALA CA C 55.0 0.2 1 243 77 52 ALA CB C 18.6 0.2 1 244 77 52 ALA N N 119.3 0.2 1 245 78 53 ALA H H 7.35 0.02 1 246 78 53 ALA C C 177.5 0.2 1 247 78 53 ALA CA C 55.1 0.2 1 248 78 53 ALA CB C 18.3 0.2 1 249 78 53 ALA N N 118.7 0.2 1 250 79 54 ALA H H 7.90 0.02 1 251 79 54 ALA C C 180.6 0.2 1 252 79 54 ALA CA C 54.1 0.2 1 253 79 54 ALA CB C 19.2 0.2 1 254 79 54 ALA N N 120.7 0.2 1 255 80 55 VAL H H 7.75 0.02 1 256 80 55 VAL C C 178.1 0.2 1 257 80 55 VAL CA C 66.6 0.2 1 258 80 55 VAL CB C 31.4 0.2 1 259 80 55 VAL N N 120.0 0.2 1 260 81 56 LEU H H 8.10 0.02 1 261 81 56 LEU C C 181.0 0.2 1 262 81 56 LEU CA C 57.2 0.2 1 263 81 56 LEU CB C 41.7 0.2 1 264 81 56 LEU N N 120.0 0.2 1 265 82 57 ALA H H 8.76 0.02 1 266 82 57 ALA C C 181.3 0.2 1 267 82 57 ALA CA C 55.4 0.2 1 268 82 57 ALA CB C 18.8 0.2 1 269 82 57 ALA N N 124.7 0.2 1 270 83 58 ARG H H 7.87 0.02 1 271 83 58 ARG C C 179.5 0.2 1 272 83 58 ARG CA C 58.5 0.2 1 273 83 58 ARG CB C 29.0 0.2 1 274 83 58 ARG N N 120.2 0.2 1 275 84 59 SER H H 8.39 0.02 1 276 84 59 SER C C 174.3 0.2 1 277 84 59 SER CA C 60.9 0.2 1 278 84 59 SER CB C 63.3 0.2 1 279 84 59 SER N N 116.9 0.2 1 280 85 60 GLN H H 7.49 0.02 1 281 85 60 GLN C C 177.0 0.2 1 282 85 60 GLN CA C 58.4 0.2 1 283 85 60 GLN CB C 28.7 0.2 1 284 85 60 GLN N N 120.5 0.2 1 285 86 61 GLN H H 7.34 0.02 1 286 86 61 GLN C C 175.4 0.2 1 287 86 61 GLN CA C 55.8 0.2 1 288 86 61 GLN CB C 30.5 0.2 1 289 86 61 GLN N N 114.1 0.2 1 290 87 62 GLN H H 7.72 0.02 1 291 87 62 GLN C C 173.9 0.2 1 292 87 62 GLN CA C 54.2 0.2 1 293 87 62 GLN CB C 29.0 0.2 1 294 87 62 GLN N N 121.4 0.2 1 295 88 63 ALA H H 8.35 0.02 1 296 88 63 ALA C C 179.4 0.2 1 297 88 63 ALA CA C 54.2 0.2 1 298 88 63 ALA CB C 18.4 0.2 1 299 88 63 ALA N N 127.9 0.2 1 300 89 64 GLY H H 8.71 0.02 1 301 89 64 GLY C C 176.5 0.2 1 302 89 64 GLY CA C 45.5 0.2 1 303 89 64 GLY N N 109.1 0.2 1 304 90 65 LEU H H 7.77 0.02 1 305 90 65 LEU C C 179.2 0.2 1 306 90 65 LEU CA C 58.6 0.2 1 307 90 65 LEU CB C 43.0 0.2 1 308 90 65 LEU N N 122.3 0.2 1 309 91 66 LEU H H 8.42 0.02 1 310 91 66 LEU C C 177.0 0.2 1 311 91 66 LEU CA C 58.3 0.2 1 312 91 66 LEU CB C 40.6 0.2 1 313 91 66 LEU N N 113.8 0.2 1 314 92 67 ASP H H 7.31 0.02 1 315 92 67 ASP C C 175.7 0.2 1 316 92 67 ASP CA C 53.8 0.2 1 317 92 67 ASP CB C 41.7 0.2 1 318 92 67 ASP N N 114.1 0.2 1 319 93 68 THR H H 7.73 0.02 1 320 93 68 THR CA C 62.4 0.2 1 321 93 68 THR CB C 70.6 0.2 1 322 93 68 THR N N 119.1 0.2 1 323 94 69 PRO C C 175.8 0.2 1 324 94 69 PRO CA C 62.4 0.2 1 325 94 69 PRO CB C 32.2 0.2 1 326 95 70 ILE H H 9.10 0.02 1 327 95 70 ILE C C 175.1 0.2 1 328 95 70 ILE CA C 59.7 0.2 1 329 95 70 ILE CB C 37.4 0.2 1 330 95 70 ILE N N 126.4 0.2 1 331 96 71 ARG H H 8.32 0.02 1 332 96 71 ARG C C 175.4 0.2 1 333 96 71 ARG CA C 54.3 0.2 1 334 96 71 ARG CB C 30.0 0.2 1 335 96 71 ARG N N 126.1 0.2 1 336 97 72 TYR H H 7.59 0.02 1 337 97 72 TYR C C 173.8 0.2 1 338 97 72 TYR CA C 55.1 0.2 1 339 97 72 TYR CB C 39.9 0.2 1 340 97 72 TYR N N 119.7 0.2 1 341 98 73 GLY H H 8.31 0.02 1 342 98 73 GLY C C 175.0 0.2 1 343 98 73 GLY CA C 43.3 0.2 1 344 98 73 GLY N N 106.2 0.2 1 345 99 74 LYS H H 8.59 0.02 1 346 99 74 LYS C C 178.6 0.2 1 347 99 74 LYS CA C 59.3 0.2 1 348 99 74 LYS CB C 32.2 0.2 1 349 99 74 LYS N N 118.7 0.2 1 350 100 75 ASN H H 8.63 0.02 1 351 100 75 ASN C C 175.5 0.2 1 352 100 75 ASN CA C 54.7 0.2 1 353 100 75 ASN CB C 36.9 0.2 1 354 100 75 ASN N N 115.8 0.2 1 355 101 76 ALA H H 7.86 0.02 1 356 101 76 ALA C C 178.0 0.2 1 357 101 76 ALA CA C 52.3 0.2 1 358 101 76 ALA CB C 19.6 0.2 1 359 101 76 ALA N N 121.1 0.2 1 360 102 77 LEU H H 7.39 0.02 1 361 102 77 LEU C C 175.7 0.2 1 362 102 77 LEU CA C 55.6 0.2 1 363 102 77 LEU CB C 40.5 0.2 1 364 102 77 LEU N N 115.6 0.2 1 365 103 78 VAL H H 6.62 0.02 1 366 103 78 VAL C C 174.1 0.2 1 367 103 78 VAL CA C 58.4 0.2 1 368 103 78 VAL CB C 33.3 0.2 1 369 103 78 VAL N N 116.0 0.2 1 370 104 79 PRO C C 174.4 0.2 1 371 104 79 PRO CA C 65.0 0.2 1 372 104 79 PRO CB C 31.9 0.2 1 373 105 80 TRP H H 8.59 0.02 1 374 105 80 TRP C C 173.7 0.2 1 375 105 80 TRP CA C 58.2 0.2 1 376 105 80 TRP CB C 26.7 0.2 1 377 105 80 TRP N N 120.1 0.2 1 378 106 81 SER H H 8.34 0.02 1 379 106 81 SER CA C 56.0 0.2 1 380 106 81 SER CB C 63.9 0.2 1 381 106 81 SER N N 118.9 0.2 1 382 107 82 PRO C C 177.9 0.2 1 383 107 82 PRO CA C 64.2 0.2 1 384 107 82 PRO CB C 32.0 0.2 1 385 108 83 ILE H H 8.29 0.02 1 386 108 83 ILE C C 178.3 0.2 1 387 108 83 ILE CA C 60.7 0.2 1 388 108 83 ILE CB C 35.7 0.2 1 389 108 83 ILE N N 118.1 0.2 1 390 109 84 SER H H 9.65 0.02 1 391 109 84 SER C C 180.6 0.2 1 392 109 84 SER CA C 61.6 0.2 1 393 109 84 SER N N 118.4 0.2 1 394 110 85 GLU H H 8.05 0.02 1 395 110 85 GLU C C 177.4 0.2 1 396 110 85 GLU CA C 59.4 0.2 1 397 110 85 GLU CB C 29.5 0.2 1 398 110 85 GLU N N 119.6 0.2 1 399 111 86 LYS H H 7.37 0.02 1 400 111 86 LYS C C 178.1 0.2 1 401 111 86 LYS CA C 57.9 0.2 1 402 111 86 LYS CB C 32.1 0.2 1 403 111 86 LYS N N 118.4 0.2 1 404 112 87 TYR H H 7.10 0.02 1 405 112 87 TYR C C 174.9 0.2 1 406 112 87 TYR CA C 58.2 0.2 1 407 112 87 TYR CB C 37.8 0.2 1 408 112 87 TYR N N 116.4 0.2 1 409 113 88 LEU H H 7.10 0.02 1 410 113 88 LEU C C 178.2 0.2 1 411 113 88 LEU CA C 58.6 0.2 1 412 113 88 LEU CB C 42.9 0.2 1 413 113 88 LEU N N 121.3 0.2 1 414 114 89 THR H H 8.26 0.02 1 415 114 89 THR C C 175.8 0.2 1 416 114 89 THR CA C 64.5 0.2 1 417 114 89 THR CB C 68.9 0.2 1 418 114 89 THR N N 106.9 0.2 1 419 115 90 THR H H 7.39 0.02 1 420 115 90 THR C C 176.3 0.2 1 421 115 90 THR CA C 62.5 0.2 1 422 115 90 THR CB C 70.7 0.2 1 423 115 90 THR N N 109.9 0.2 1 424 116 91 GLY H H 8.36 0.02 1 425 116 91 GLY C C 172.5 0.2 1 426 116 91 GLY CA C 45.2 0.2 1 427 116 91 GLY N N 112.2 0.2 1 428 117 92 MET H H 8.17 0.02 1 429 117 92 MET C C 175.4 0.2 1 430 117 92 MET CA C 55.1 0.2 1 431 117 92 MET CB C 40.6 0.2 1 432 117 92 MET N N 115.1 0.2 1 433 118 93 THR H H 8.99 0.02 1 434 118 93 THR C C 176.4 0.2 1 435 118 93 THR CA C 60.7 0.2 1 436 118 93 THR CB C 71.4 0.2 1 437 118 93 THR N N 111.0 0.2 1 438 119 94 VAL H H 7.95 0.02 1 439 119 94 VAL C C 179.6 0.2 1 440 119 94 VAL CA C 67.6 0.2 1 441 119 94 VAL CB C 31.4 0.2 1 442 119 94 VAL N N 120.9 0.2 1 443 120 95 ALA H H 9.37 0.02 1 444 120 95 ALA C C 179.4 0.2 1 445 120 95 ALA CA C 56.2 0.2 1 446 120 95 ALA CB C 18.9 0.2 1 447 120 95 ALA N N 124.3 0.2 1 448 121 96 GLU H H 7.79 0.02 1 449 121 96 GLU C C 180.8 0.2 1 450 121 96 GLU CA C 59.0 0.2 1 451 121 96 GLU CB C 29.6 0.2 1 452 121 96 GLU N N 119.2 0.2 1 453 122 97 LEU H H 9.13 0.02 1 454 122 97 LEU C C 178.4 0.2 1 455 122 97 LEU CA C 58.0 0.2 1 456 122 97 LEU CB C 42.5 0.2 1 457 122 97 LEU N N 122.0 0.2 1 458 123 98 SER H H 8.13 0.02 1 459 123 98 SER C C 174.6 0.2 1 460 123 98 SER CA C 62.9 0.2 1 461 123 98 SER CB C 64.4 0.2 1 462 123 98 SER N N 117.8 0.2 1 463 124 99 ALA H H 7.52 0.02 1 464 124 99 ALA C C 179.4 0.2 1 465 124 99 ALA CA C 55.0 0.2 1 466 124 99 ALA CB C 17.5 0.2 1 467 124 99 ALA N N 122.9 0.2 1 468 125 100 ALA H H 7.81 0.02 1 469 125 100 ALA C C 181.2 0.2 1 470 125 100 ALA CA C 55.4 0.2 1 471 125 100 ALA CB C 17.4 0.2 1 472 125 100 ALA N N 119.2 0.2 1 473 126 101 ALA H H 8.59 0.02 1 474 126 101 ALA C C 178.1 0.2 1 475 126 101 ALA CA C 55.2 0.2 1 476 126 101 ALA CB C 17.0 0.2 1 477 126 101 ALA N N 122.0 0.2 1 478 127 102 VAL H H 7.76 0.02 1 479 127 102 VAL C C 175.9 0.2 1 480 127 102 VAL CA C 66.5 0.2 1 481 127 102 VAL CB C 32.3 0.2 1 482 127 102 VAL N N 112.8 0.2 1 483 128 103 GLN H H 8.89 0.02 1 484 128 103 GLN C C 176.5 0.2 1 485 128 103 GLN CA C 58.0 0.2 1 486 128 103 GLN CB C 28.9 0.2 1 487 128 103 GLN N N 111.8 0.2 1 488 129 104 TYR H H 7.60 0.02 1 489 129 104 TYR C C 174.3 0.2 1 490 129 104 TYR CA C 57.9 0.2 1 491 129 104 TYR CB C 40.2 0.2 1 492 129 104 TYR N N 113.1 0.2 1 493 130 105 SER H H 7.16 0.02 1 494 130 105 SER C C 176.9 0.2 1 495 130 105 SER CA C 58.2 0.2 1 496 130 105 SER CB C 65.6 0.2 1 497 130 105 SER N N 119.1 0.2 1 498 131 106 ASP H H 7.45 0.02 1 499 131 106 ASP C C 176.6 0.2 1 500 131 106 ASP CA C 56.7 0.2 1 501 131 106 ASP CB C 44.7 0.2 1 502 131 106 ASP N N 123.8 0.2 1 503 132 107 ASN H H 9.02 0.02 1 504 132 107 ASN C C 176.9 0.2 1 505 132 107 ASN CA C 57.3 0.2 1 506 132 107 ASN CB C 39.6 0.2 1 507 132 107 ASN N N 127.3 0.2 1 508 133 108 ALA H H 8.71 0.02 1 509 133 108 ALA C C 180.1 0.2 1 510 133 108 ALA CA C 55.4 0.2 1 511 133 108 ALA CB C 18.3 0.2 1 512 133 108 ALA N N 125.3 0.2 1 513 134 109 ALA H H 8.99 0.02 1 514 134 109 ALA C C 179.0 0.2 1 515 134 109 ALA CA C 54.9 0.2 1 516 134 109 ALA CB C 18.9 0.2 1 517 134 109 ALA N N 118.8 0.2 1 518 135 110 ALA H H 7.56 0.02 1 519 135 110 ALA C C 178.7 0.2 1 520 135 110 ALA CA C 54.6 0.2 1 521 135 110 ALA CB C 19.0 0.2 1 522 135 110 ALA N N 116.5 0.2 1 523 136 111 ASN H H 8.23 0.02 1 524 136 111 ASN C C 179.2 0.2 1 525 136 111 ASN CA C 55.8 0.2 1 526 136 111 ASN CB C 37.5 0.2 1 527 136 111 ASN N N 117.8 0.2 1 528 137 112 LEU H H 8.75 0.02 1 529 137 112 LEU C C 180.4 0.2 1 530 137 112 LEU CA C 58.6 0.2 1 531 137 112 LEU CB C 42.3 0.2 1 532 137 112 LEU N N 122.6 0.2 1 533 138 113 LEU H H 8.18 0.02 1 534 138 113 LEU C C 179.2 0.2 1 535 138 113 LEU CA C 57.2 0.2 1 536 138 113 LEU CB C 42.4 0.2 1 537 138 113 LEU N N 119.0 0.2 1 538 139 114 LEU H H 8.84 0.02 1 539 139 114 LEU C C 180.3 0.2 1 540 139 114 LEU CA C 58.0 0.2 1 541 139 114 LEU CB C 43.6 0.2 1 542 139 114 LEU N N 120.2 0.2 1 543 140 115 LYS H H 8.29 0.02 1 544 140 115 LYS C C 179.1 0.2 1 545 140 115 LYS CA C 60.5 0.2 1 546 140 115 LYS CB C 32.2 0.2 1 547 140 115 LYS N N 120.3 0.2 1 548 141 116 GLU H H 7.46 0.02 1 549 141 116 GLU C C 177.3 0.2 1 550 141 116 GLU CA C 58.1 0.2 1 551 141 116 GLU CB C 28.8 0.2 1 552 141 116 GLU N N 118.8 0.2 1 553 142 117 LEU H H 7.42 0.02 1 554 142 117 LEU C C 176.7 0.2 1 555 142 117 LEU CA C 54.0 0.2 1 556 142 117 LEU CB C 42.7 0.2 1 557 142 117 LEU N N 116.1 0.2 1 558 143 118 GLY H H 7.69 0.02 1 559 143 118 GLY C C 175.6 0.2 1 560 143 118 GLY CA C 45.4 0.2 1 561 143 118 GLY N N 105.2 0.2 1 562 144 119 GLY H H 8.77 0.02 1 563 144 119 GLY C C 171.3 0.2 1 564 144 119 GLY CA C 45.0 0.2 1 565 144 119 GLY N N 109.1 0.2 1 566 145 120 PRO C C 180.8 0.2 1 567 145 120 PRO CA C 66.4 0.2 1 568 145 120 PRO CB C 31.8 0.2 1 569 146 121 ALA H H 8.75 0.02 1 570 146 121 ALA C C 181.0 0.2 1 571 146 121 ALA CA C 55.3 0.2 1 572 146 121 ALA CB C 18.6 0.2 1 573 146 121 ALA N N 119.6 0.2 1 574 147 122 GLY H H 7.68 0.02 1 575 147 122 GLY C C 177.5 0.2 1 576 147 122 GLY CA C 46.4 0.2 1 577 147 122 GLY N N 109.0 0.2 1 578 148 123 LEU H H 7.61 0.02 1 579 148 123 LEU C C 178.3 0.2 1 580 148 123 LEU CA C 57.3 0.2 1 581 148 123 LEU CB C 41.0 0.2 1 582 148 123 LEU N N 122.7 0.2 1 583 149 124 THR H H 8.47 0.02 1 584 149 124 THR C C 175.1 0.2 1 585 149 124 THR CA C 68.7 0.2 1 586 149 124 THR N N 118.1 0.2 1 587 150 125 ALA H H 8.20 0.02 1 588 150 125 ALA C C 180.9 0.2 1 589 150 125 ALA CA C 55.3 0.2 1 590 150 125 ALA CB C 17.8 0.2 1 591 150 125 ALA N N 122.2 0.2 1 592 151 126 PHE H H 7.72 0.02 1 593 151 126 PHE C C 178.4 0.2 1 594 151 126 PHE CA C 61.0 0.2 1 595 151 126 PHE CB C 37.9 0.2 1 596 151 126 PHE N N 120.3 0.2 1 597 152 127 MET H H 7.80 0.02 1 598 152 127 MET C C 179.0 0.2 1 599 152 127 MET CA C 55.9 0.2 1 600 152 127 MET CB C 27.3 0.2 1 601 152 127 MET N N 120.1 0.2 1 602 153 128 ARG H H 8.52 0.02 1 603 153 128 ARG C C 181.3 0.2 1 604 153 128 ARG CA C 57.4 0.2 1 605 153 128 ARG CB C 28.8 0.2 1 606 153 128 ARG N N 119.7 0.2 1 607 154 129 SER H H 7.92 0.02 1 608 154 129 SER C C 175.4 0.2 1 609 154 129 SER CA C 61.6 0.2 1 610 154 129 SER CB C 62.6 0.2 1 611 154 129 SER N N 118.4 0.2 1 612 155 130 ILE H H 6.80 0.02 1 613 155 130 ILE C C 176.0 0.2 1 614 155 130 ILE CA C 60.8 0.2 1 615 155 130 ILE CB C 37.9 0.2 1 616 155 130 ILE N N 113.9 0.2 1 617 156 131 GLY H H 7.72 0.02 1 618 156 131 GLY C C 172.6 0.2 1 619 156 131 GLY CA C 45.0 0.2 1 620 156 131 GLY N N 109.1 0.2 1 621 157 132 ASP H H 7.77 0.02 1 622 157 132 ASP C C 176.5 0.2 1 623 157 132 ASP CA C 52.8 0.2 1 624 157 132 ASP CB C 40.9 0.2 1 625 157 132 ASP N N 122.0 0.2 1 626 158 133 THR H H 8.02 0.02 1 627 158 133 THR C C 174.3 0.2 1 628 158 133 THR CA C 61.6 0.2 1 629 158 133 THR CB C 68.5 0.2 1 630 158 133 THR N N 114.9 0.2 1 631 159 134 THR H H 8.76 0.02 1 632 159 134 THR C C 174.3 0.2 1 633 159 134 THR CA C 64.8 0.2 1 634 159 134 THR CB C 69.5 0.2 1 635 159 134 THR N N 122.2 0.2 1 636 160 135 PHE H H 8.99 0.02 1 637 160 135 PHE C C 175.4 0.2 1 638 160 135 PHE CA C 59.5 0.2 1 639 160 135 PHE CB C 39.4 0.2 1 640 160 135 PHE N N 125.9 0.2 1 641 161 136 ARG H H 7.90 0.02 1 642 161 136 ARG C C 170.6 0.2 1 643 161 136 ARG CA C 53.7 0.2 1 644 161 136 ARG CB C 32.5 0.2 1 645 161 136 ARG N N 123.9 0.2 1 646 162 137 LEU H H 7.43 0.02 1 647 162 137 LEU C C 174.1 0.2 1 648 162 137 LEU CA C 53.7 0.2 1 649 162 137 LEU CB C 44.8 0.2 1 650 162 137 LEU N N 121.9 0.2 1 651 163 138 ASP H H 10.20 0.02 1 652 163 138 ASP C C 175.8 0.2 1 653 163 138 ASP CA C 55.4 0.2 1 654 163 138 ASP CB C 45.7 0.2 1 655 163 138 ASP N N 127.8 0.2 1 656 164 139 ARG H H 9.09 0.02 1 657 164 139 ARG C C 170.6 0.2 1 658 164 139 ARG CA C 55.0 0.2 1 659 164 139 ARG CB C 34.6 0.2 1 660 164 139 ARG N N 124.8 0.2 1 661 165 140 TRP H H 7.78 0.02 1 662 165 140 TRP C C 178.3 0.2 1 663 165 140 TRP CA C 55.1 0.2 1 664 165 140 TRP CB C 29.2 0.2 1 665 165 140 TRP N N 114.8 0.2 1 666 166 141 GLU H H 9.03 0.02 1 667 166 141 GLU C C 180.6 0.2 1 668 166 141 GLU CA C 53.2 0.2 1 669 166 141 GLU CB C 26.8 0.2 1 670 166 141 GLU N N 117.1 0.2 1 671 167 142 LEU H H 8.18 0.02 1 672 167 142 LEU C C 178.8 0.2 1 673 167 142 LEU CA C 58.3 0.2 1 674 167 142 LEU CB C 44.3 0.2 1 675 167 142 LEU N N 123.3 0.2 1 676 168 143 GLU H H 8.50 0.02 1 677 168 143 GLU C C 177.3 0.2 1 678 168 143 GLU CA C 60.7 0.2 1 679 168 143 GLU CB C 29.8 0.2 1 680 168 143 GLU N N 125.6 0.2 1 681 169 144 LEU H H 7.95 0.02 1 682 169 144 LEU C C 176.3 0.2 1 683 169 144 LEU CA C 55.3 0.2 1 684 169 144 LEU CB C 40.7 0.2 1 685 169 144 LEU N N 113.4 0.2 1 686 170 145 ASN H H 7.72 0.02 1 687 170 145 ASN C C 174.5 0.2 1 688 170 145 ASN CA C 54.8 0.2 1 689 170 145 ASN CB C 40.6 0.2 1 690 170 145 ASN N N 120.3 0.2 1 691 171 146 SER H H 7.34 0.02 1 692 171 146 SER C C 174.2 0.2 1 693 171 146 SER CA C 63.2 0.2 1 694 171 146 SER CB C 64.5 0.2 1 695 171 146 SER N N 112.5 0.2 1 696 172 147 ALA H H 9.30 0.02 1 697 172 147 ALA C C 174.8 0.2 1 698 172 147 ALA CA C 52.2 0.2 1 699 172 147 ALA CB C 17.7 0.2 1 700 172 147 ALA N N 119.9 0.2 1 701 173 148 ILE H H 8.23 0.02 1 702 173 148 ILE CA C 59.6 0.2 1 703 173 148 ILE CB C 38.4 0.2 1 704 173 148 ILE N N 119.0 0.2 1 705 174 149 PRO C C 177.8 0.2 1 706 174 149 PRO CA C 64.4 0.2 1 707 174 149 PRO CB C 31.5 0.2 1 708 175 150 GLY H H 8.88 0.02 1 709 175 150 GLY C C 173.4 0.2 1 710 175 150 GLY CA C 45.2 0.2 1 711 175 150 GLY N N 113.0 0.2 1 712 176 151 ASP H H 7.61 0.02 1 713 176 151 ASP C C 175.8 0.2 1 714 176 151 ASP CA C 52.8 0.2 1 715 176 151 ASP CB C 41.7 0.2 1 716 176 151 ASP N N 121.3 0.2 1 717 177 152 ALA H H 8.73 0.02 1 718 177 152 ALA C C 178.3 0.2 1 719 177 152 ALA CA C 52.3 0.2 1 720 177 152 ALA CB C 19.3 0.2 1 721 177 152 ALA N N 130.1 0.2 1 722 178 153 ARG H H 7.92 0.02 1 723 178 153 ARG C C 177.2 0.2 1 724 178 153 ARG CA C 57.3 0.2 1 725 178 153 ARG CB C 30.7 0.2 1 726 178 153 ARG N N 119.9 0.2 1 727 179 154 ASP H H 8.79 0.02 1 728 179 154 ASP C C 177.5 0.2 1 729 179 154 ASP CA C 55.5 0.2 1 730 179 154 ASP CB C 42.2 0.2 1 731 179 154 ASP N N 116.3 0.2 1 732 180 155 THR H H 7.25 0.02 1 733 180 155 THR C C 174.0 0.2 1 734 180 155 THR CA C 60.0 0.2 1 735 180 155 THR CB C 75.1 0.2 1 736 180 155 THR N N 105.4 0.2 1 737 181 156 SER H H 7.76 0.02 1 738 181 156 SER C C 172.6 0.2 1 739 181 156 SER CA C 56.0 0.2 1 740 181 156 SER CB C 64.9 0.2 1 741 181 156 SER N N 108.4 0.2 1 742 182 157 SER H H 8.67 0.02 1 743 182 157 SER CA C 54.0 0.2 1 744 182 157 SER CB C 65.8 0.2 1 745 182 157 SER N N 115.9 0.2 1 746 183 158 PRO C C 178.1 0.2 1 747 183 158 PRO CA C 65.6 0.2 1 748 183 158 PRO CB C 32.3 0.2 1 749 184 159 ARG H H 8.71 0.02 1 750 184 159 ARG C C 176.5 0.2 1 751 184 159 ARG CA C 59.7 0.2 1 752 184 159 ARG CB C 29.9 0.2 1 753 184 159 ARG N N 116.4 0.2 1 754 185 160 ALA H H 7.81 0.02 1 755 185 160 ALA C C 180.6 0.2 1 756 185 160 ALA CA C 55.3 0.2 1 757 185 160 ALA CB C 18.4 0.2 1 758 185 160 ALA N N 122.0 0.2 1 759 186 161 VAL H H 8.43 0.02 1 760 186 161 VAL C C 177.0 0.2 1 761 186 161 VAL CA C 67.7 0.2 1 762 186 161 VAL CB C 32.0 0.2 1 763 186 161 VAL N N 116.1 0.2 1 764 187 162 THR H H 7.83 0.02 1 765 187 162 THR C C 176.2 0.2 1 766 187 162 THR CA C 68.0 0.2 1 767 187 162 THR N N 116.5 0.2 1 768 188 163 GLU H H 8.65 0.02 1 769 188 163 GLU C C 180.3 0.2 1 770 188 163 GLU CA C 60.0 0.2 1 771 188 163 GLU CB C 29.4 0.2 1 772 188 163 GLU N N 121.5 0.2 1 773 189 164 SER H H 8.67 0.02 1 774 189 164 SER C C 175.4 0.2 1 775 189 164 SER CA C 62.8 0.2 1 776 189 164 SER CB C 62.6 0.2 1 777 189 164 SER N N 118.1 0.2 1 778 190 165 LEU H H 8.89 0.02 1 779 190 165 LEU C C 180.5 0.2 1 780 190 165 LEU CA C 58.4 0.2 1 781 190 165 LEU CB C 42.1 0.2 1 782 190 165 LEU N N 122.6 0.2 1 783 191 166 GLN H H 8.95 0.02 1 784 191 166 GLN C C 177.8 0.2 1 785 191 166 GLN CA C 60.5 0.2 1 786 191 166 GLN CB C 27.2 0.2 1 787 191 166 GLN N N 121.9 0.2 1 788 192 167 LYS H H 7.84 0.02 1 789 192 167 LYS C C 178.2 0.2 1 790 192 167 LYS CA C 60.5 0.2 1 791 192 167 LYS CB C 33.5 0.2 1 792 192 167 LYS N N 119.8 0.2 1 793 193 168 LEU H H 7.66 0.02 1 794 193 168 LEU C C 176.6 0.2 1 795 193 168 LEU CA C 57.1 0.2 1 796 193 168 LEU CB C 44.6 0.2 1 797 193 168 LEU N N 114.8 0.2 1 798 194 169 THR H H 7.96 0.02 1 799 194 169 THR C C 174.8 0.2 1 800 194 169 THR CA C 63.3 0.2 1 801 194 169 THR CB C 70.6 0.2 1 802 194 169 THR N N 105.0 0.2 1 803 195 170 LEU H H 7.89 0.02 1 804 195 170 LEU C C 178.3 0.2 1 805 195 170 LEU CA C 54.5 0.2 1 806 195 170 LEU CB C 44.5 0.2 1 807 195 170 LEU N N 119.4 0.2 1 808 196 171 GLY H H 7.52 0.02 1 809 196 171 GLY C C 174.8 0.2 1 810 196 171 GLY CA C 44.8 0.2 1 811 196 171 GLY N N 109.4 0.2 1 812 197 172 SER H H 8.71 0.02 1 813 197 172 SER C C 174.9 0.2 1 814 197 172 SER CA C 57.4 0.2 1 815 197 172 SER CB C 64.1 0.2 1 816 197 172 SER N N 114.1 0.2 1 817 198 173 ALA H H 7.42 0.02 1 818 198 173 ALA C C 177.3 0.2 1 819 198 173 ALA CA C 55.0 0.2 1 820 198 173 ALA CB C 19.4 0.2 1 821 198 173 ALA N N 123.4 0.2 1 822 199 174 LEU H H 8.66 0.02 1 823 199 174 LEU C C 176.1 0.2 1 824 199 174 LEU CA C 52.3 0.2 1 825 199 174 LEU CB C 44.7 0.2 1 826 199 174 LEU N N 115.8 0.2 1 827 200 175 ALA H H 8.46 0.02 1 828 200 175 ALA C C 177.8 0.2 1 829 200 175 ALA CA C 51.9 0.2 1 830 200 175 ALA CB C 18.5 0.2 1 831 200 175 ALA N N 123.1 0.2 1 832 201 176 ALA H H 8.63 0.02 1 833 201 176 ALA C C 176.2 0.2 1 834 201 176 ALA CA C 57.3 0.2 1 835 201 176 ALA CB C 16.2 0.2 1 836 201 176 ALA N N 121.2 0.2 1 837 202 177 PRO C C 179.7 0.2 1 838 202 177 PRO CA C 65.9 0.2 1 839 202 177 PRO CB C 30.4 0.2 1 840 203 178 GLN H H 7.42 0.02 1 841 203 178 GLN C C 177.0 0.2 1 842 203 178 GLN CA C 61.1 0.2 1 843 203 178 GLN CB C 27.8 0.2 1 844 203 178 GLN N N 120.7 0.2 1 845 204 179 ARG H H 9.04 0.02 1 846 204 179 ARG C C 178.0 0.2 1 847 204 179 ARG CA C 59.9 0.2 1 848 204 179 ARG CB C 30.9 0.2 1 849 204 179 ARG N N 122.6 0.2 1 850 205 180 GLN H H 7.90 0.02 1 851 205 180 GLN C C 177.4 0.2 1 852 205 180 GLN CA C 58.0 0.2 1 853 205 180 GLN CB C 28.1 0.2 1 854 205 180 GLN N N 116.5 0.2 1 855 206 181 GLN H H 7.49 0.02 1 856 206 181 GLN C C 177.7 0.2 1 857 206 181 GLN CA C 57.8 0.2 1 858 206 181 GLN CB C 28.3 0.2 1 859 206 181 GLN N N 118.3 0.2 1 860 207 182 PHE H H 8.30 0.02 1 861 207 182 PHE C C 177.1 0.2 1 862 207 182 PHE CA C 59.5 0.2 1 863 207 182 PHE CB C 38.4 0.2 1 864 207 182 PHE N N 120.4 0.2 1 865 208 183 VAL H H 8.31 0.02 1 866 208 183 VAL C C 177.6 0.2 1 867 208 183 VAL CA C 67.8 0.2 1 868 208 183 VAL CB C 31.5 0.2 1 869 208 183 VAL N N 117.5 0.2 1 870 209 184 ASP H H 8.49 0.02 1 871 209 184 ASP C C 180.8 0.2 1 872 209 184 ASP CA C 57.9 0.2 1 873 209 184 ASP CB C 39.7 0.2 1 874 209 184 ASP N N 120.3 0.2 1 875 210 185 TRP H H 8.32 0.02 1 876 210 185 TRP C C 179.4 0.2 1 877 210 185 TRP CA C 57.7 0.2 1 878 210 185 TRP CB C 27.8 0.2 1 879 210 185 TRP N N 121.3 0.2 1 880 211 186 LEU H H 8.13 0.02 1 881 211 186 LEU C C 181.7 0.2 1 882 211 186 LEU CA C 57.9 0.2 1 883 211 186 LEU CB C 42.1 0.2 1 884 211 186 LEU N N 118.4 0.2 1 885 212 187 LYS H H 9.10 0.02 1 886 212 187 LYS C C 178.7 0.2 1 887 212 187 LYS CA C 59.9 0.2 1 888 212 187 LYS CB C 32.8 0.2 1 889 212 187 LYS N N 120.8 0.2 1 890 213 188 GLY H H 7.65 0.02 1 891 213 188 GLY C C 173.4 0.2 1 892 213 188 GLY CA C 44.8 0.2 1 893 213 188 GLY N N 104.9 0.2 1 894 214 189 ASN H H 7.33 0.02 1 895 214 189 ASN C C 177.3 0.2 1 896 214 189 ASN CA C 56.3 0.2 1 897 214 189 ASN CB C 39.5 0.2 1 898 214 189 ASN N N 116.8 0.2 1 899 215 190 THR H H 8.46 0.02 1 900 215 190 THR C C 177.7 0.2 1 901 215 190 THR CA C 62.9 0.2 1 902 215 190 THR CB C 70.8 0.2 1 903 215 190 THR N N 118.1 0.2 1 904 216 191 THR H H 7.26 0.02 1 905 216 191 THR C C 176.2 0.2 1 906 216 191 THR CA C 63.5 0.2 1 907 216 191 THR CB C 69.2 0.2 1 908 216 191 THR N N 110.6 0.2 1 909 217 192 GLY H H 8.79 0.02 1 910 217 192 GLY C C 177.5 0.2 1 911 217 192 GLY CA C 45.9 0.2 1 912 217 192 GLY N N 112.2 0.2 1 913 218 193 ASN H H 9.05 0.02 1 914 218 193 ASN C C 175.2 0.2 1 915 218 193 ASN CA C 56.2 0.2 1 916 218 193 ASN CB C 36.8 0.2 1 917 218 193 ASN N N 121.3 0.2 1 918 219 194 HIS H H 8.63 0.02 1 919 219 194 HIS C C 174.1 0.2 1 920 219 194 HIS CA C 54.1 0.2 1 921 219 194 HIS CB C 28.9 0.2 1 922 219 194 HIS N N 113.0 0.2 1 923 220 195 ARG H H 6.90 0.02 1 924 220 195 ARG C C 174.3 0.2 1 925 220 195 ARG CA C 54.4 0.2 1 926 220 195 ARG CB C 30.0 0.2 1 927 220 195 ARG N N 118.0 0.2 1 928 221 196 ILE H H 8.40 0.02 1 929 221 196 ILE C C 177.5 0.2 1 930 221 196 ILE CA C 67.6 0.2 1 931 221 196 ILE CB C 36.8 0.2 1 932 221 196 ILE N N 126.2 0.2 1 933 222 197 ARG H H 9.46 0.02 1 934 222 197 ARG C C 177.0 0.2 1 935 222 197 ARG CA C 59.8 0.2 1 936 222 197 ARG CB C 30.9 0.2 1 937 222 197 ARG N N 116.7 0.2 1 938 223 198 ALA H H 7.10 0.02 1 939 223 198 ALA C C 178.0 0.2 1 940 223 198 ALA CA C 53.0 0.2 1 941 223 198 ALA CB C 17.7 0.2 1 942 223 198 ALA N N 117.9 0.2 1 943 224 199 ALA H H 7.99 0.02 1 944 224 199 ALA C C 175.9 0.2 1 945 224 199 ALA CA C 51.7 0.2 1 946 224 199 ALA CB C 21.5 0.2 1 947 224 199 ALA N N 119.8 0.2 1 948 225 200 VAL H H 6.72 0.02 1 949 225 200 VAL C C 173.0 0.2 1 950 225 200 VAL CA C 58.0 0.2 1 951 225 200 VAL CB C 32.5 0.2 1 952 225 200 VAL N N 111.5 0.2 1 953 226 201 PRO C C 177.2 0.2 1 954 226 201 PRO CA C 62.8 0.2 1 955 226 201 PRO CB C 32.1 0.2 1 956 227 202 ALA H H 8.22 0.02 1 957 227 202 ALA C C 177.7 0.2 1 958 227 202 ALA CA C 54.4 0.2 1 959 227 202 ALA CB C 18.9 0.2 1 960 227 202 ALA N N 122.9 0.2 1 961 228 203 ASP H H 8.35 0.02 1 962 228 203 ASP C C 176.3 0.2 1 963 228 203 ASP CA C 53.7 0.2 1 964 228 203 ASP CB C 39.7 0.2 1 965 228 203 ASP N N 111.5 0.2 1 966 229 204 TRP H H 7.80 0.02 1 967 229 204 TRP C C 174.9 0.2 1 968 229 204 TRP CA C 55.5 0.2 1 969 229 204 TRP CB C 29.0 0.2 1 970 229 204 TRP N N 121.7 0.2 1 971 230 205 ALA H H 7.90 0.02 1 972 230 205 ALA C C 177.0 0.2 1 973 230 205 ALA CA C 51.8 0.2 1 974 230 205 ALA CB C 20.4 0.2 1 975 230 205 ALA N N 124.9 0.2 1 976 231 206 VAL H H 8.64 0.02 1 977 231 206 VAL C C 174.7 0.2 1 978 231 206 VAL CA C 61.0 0.2 1 979 231 206 VAL CB C 36.0 0.2 1 980 231 206 VAL N N 120.1 0.2 1 981 232 207 GLY H H 9.26 0.02 1 982 232 207 GLY C C 171.2 0.2 1 983 232 207 GLY CA C 44.7 0.2 1 984 232 207 GLY N N 112.3 0.2 1 985 233 208 ASP H H 8.01 0.02 1 986 233 208 ASP C C 169.7 0.2 1 987 233 208 ASP CA C 52.6 0.2 1 988 233 208 ASP CB C 45.4 0.2 1 989 233 208 ASP N N 123.7 0.2 1 990 234 209 LYS H H 7.49 0.02 1 991 234 209 LYS C C 172.7 0.2 1 992 234 209 LYS CA C 55.1 0.2 1 993 234 209 LYS CB C 34.5 0.2 1 994 234 209 LYS N N 113.5 0.2 1 995 235 210 THR H H 5.73 0.02 1 996 235 210 THR C C 176.2 0.2 1 997 235 210 THR CA C 61.0 0.2 1 998 235 210 THR CB C 71.3 0.2 1 999 235 210 THR N N 110.6 0.2 1 1000 236 211 GLY H H 7.57 0.02 1 1001 236 211 GLY C C 174.7 0.2 1 1002 236 211 GLY CA C 47.5 0.2 1 1003 236 211 GLY N N 107.1 0.2 1 1004 237 212 THR C C 173.7 0.2 1 1005 237 212 THR CA C 63.5 0.2 1 1006 237 212 THR CB C 68.6 0.2 1 1007 238 213 CYS H H 8.28 0.02 1 1008 238 213 CYS C C 175.0 0.2 1 1009 238 213 CYS CA C 62.7 0.2 1 1010 238 213 CYS CB C 38.3 0.2 1 1011 238 213 CYS N N 126.6 0.2 1 1012 239 214 GLY H H 8.61 0.02 1 1013 239 214 GLY C C 172.7 0.2 1 1014 239 214 GLY CA C 45.6 0.2 1 1015 239 214 GLY N N 107.4 0.2 1 1016 240 215 VAL H H 7.21 0.02 1 1017 240 215 VAL C C 175.5 0.2 1 1018 240 215 VAL CA C 59.7 0.2 1 1019 240 215 VAL CB C 36.8 0.2 1 1020 240 215 VAL N N 111.5 0.2 1 1021 241 216 TYR H H 9.01 0.02 1 1022 241 216 TYR C C 177.7 0.2 1 1023 241 216 TYR CA C 59.1 0.2 1 1024 241 216 TYR CB C 36.5 0.2 1 1025 241 216 TYR N N 115.5 0.2 1 1026 242 217 GLY H H 8.31 0.02 1 1027 242 217 GLY C C 174.0 0.2 1 1028 242 217 GLY CA C 47.6 0.2 1 1029 242 217 GLY N N 107.6 0.2 1 1030 243 218 THR H H 7.54 0.02 1 1031 243 218 THR C C 174.6 0.2 1 1032 243 218 THR CA C 64.3 0.2 1 1033 243 218 THR CB C 69.6 0.2 1 1034 243 218 THR N N 114.2 0.2 1 1035 244 219 ALA H H 8.31 0.02 1 1036 244 219 ALA C C 174.6 0.2 1 1037 244 219 ALA CA C 51.5 0.2 1 1038 244 219 ALA CB C 22.3 0.2 1 1039 244 219 ALA N N 131.5 0.2 1 1040 245 220 ASN H H 9.47 0.02 1 1041 245 220 ASN C C 176.1 0.2 1 1042 245 220 ASN CA C 53.2 0.2 1 1043 245 220 ASN CB C 42.9 0.2 1 1044 245 220 ASN N N 113.9 0.2 1 1045 246 221 ASP H H 8.75 0.02 1 1046 246 221 ASP C C 172.7 0.2 1 1047 246 221 ASP CA C 54.0 0.2 1 1048 246 221 ASP CB C 44.7 0.2 1 1049 246 221 ASP N N 119.6 0.2 1 1050 247 222 TYR C C 174.0 0.2 1 1051 247 222 TYR CA C 55.0 0.2 1 1052 247 222 TYR CB C 41.2 0.2 1 1053 248 223 ALA H H 9.58 0.02 1 1054 248 223 ALA C C 175.0 0.2 1 1055 248 223 ALA CA C 51.7 0.2 1 1056 248 223 ALA CB C 25.5 0.2 1 1057 248 223 ALA N N 119.1 0.2 1 1058 249 224 VAL H H 8.44 0.02 1 1059 249 224 VAL C C 173.2 0.2 1 1060 249 224 VAL CA C 60.7 0.2 1 1061 249 224 VAL CB C 33.3 0.2 1 1062 249 224 VAL N N 118.3 0.2 1 1063 250 225 VAL H H 8.97 0.02 1 1064 250 225 VAL C C 174.3 0.2 1 1065 250 225 VAL CA C 59.7 0.2 1 1066 250 225 VAL CB C 35.1 0.2 1 1067 250 225 VAL N N 124.8 0.2 1 1068 251 226 TRP H H 9.55 0.02 1 1069 251 226 TRP CA C 56.5 0.2 1 1070 251 226 TRP CB C 30.0 0.2 1 1071 251 226 TRP N N 128.1 0.2 1 1072 252 227 PRO C C 176.9 0.2 1 1073 252 227 PRO CA C 60.0 0.2 1 1074 252 227 PRO CB C 30.7 0.2 1 1075 253 228 THR H H 5.97 0.02 1 1076 253 228 THR C C 176.0 0.2 1 1077 253 228 THR CA C 63.4 0.2 1 1078 253 228 THR CB C 68.9 0.2 1 1079 253 228 THR N N 115.3 0.2 1 1080 254 229 GLY H H 8.90 0.02 1 1081 254 229 GLY C C 173.5 0.2 1 1082 254 229 GLY CA C 46.1 0.2 1 1083 254 229 GLY N N 114.4 0.2 1 1084 255 230 ARG H H 7.25 0.02 1 1085 255 230 ARG C C 173.9 0.2 1 1086 255 230 ARG CA C 54.2 0.2 1 1087 255 230 ARG CB C 33.9 0.2 1 1088 255 230 ARG N N 117.0 0.2 1 1089 256 231 ALA H H 8.09 0.02 1 1090 256 231 ALA C C 174.9 0.2 1 1091 256 231 ALA CA C 50.7 0.2 1 1092 256 231 ALA CB C 18.2 0.2 1 1093 256 231 ALA N N 122.7 0.2 1 1094 257 232 PRO C C 176.1 0.2 1 1095 257 232 PRO CA C 62.6 0.2 1 1096 257 232 PRO CB C 32.1 0.2 1 1097 258 233 ILE H H 8.88 0.02 1 1098 258 233 ILE C C 174.0 0.2 1 1099 258 233 ILE CA C 59.5 0.2 1 1100 258 233 ILE CB C 43.1 0.2 1 1101 258 233 ILE N N 123.5 0.2 1 1102 259 234 VAL H H 8.47 0.02 1 1103 259 234 VAL C C 174.3 0.2 1 1104 259 234 VAL CA C 59.6 0.2 1 1105 259 234 VAL CB C 33.5 0.2 1 1106 259 234 VAL N N 123.3 0.2 1 1107 260 235 LEU H H 9.25 0.02 1 1108 260 235 LEU C C 172.8 0.2 1 1109 260 235 LEU CA C 55.9 0.2 1 1110 260 235 LEU CB C 46.1 0.2 1 1111 260 235 LEU N N 123.9 0.2 1 1112 261 236 ALA H H 8.68 0.02 1 1113 261 236 ALA C C 175.5 0.2 1 1114 261 236 ALA CA C 51.7 0.2 1 1115 261 236 ALA CB C 24.5 0.2 1 1116 261 236 ALA N N 121.3 0.2 1 1117 262 237 VAL H H 8.72 0.02 1 1118 262 237 VAL C C 173.3 0.2 1 1119 262 237 VAL CA C 61.4 0.2 1 1120 262 237 VAL CB C 35.0 0.2 1 1121 262 237 VAL N N 118.6 0.2 1 1122 263 238 TYR H H 9.53 0.02 1 1123 263 238 TYR C C 173.7 0.2 1 1124 263 238 TYR CA C 56.1 0.2 1 1125 263 238 TYR CB C 41.9 0.2 1 1126 263 238 TYR N N 128.1 0.2 1 1127 264 239 THR H H 8.52 0.02 1 1128 264 239 THR C C 174.3 0.2 1 1129 264 239 THR CA C 60.2 0.2 1 1130 264 239 THR CB C 73.0 0.2 1 1131 264 239 THR N N 108.6 0.2 1 1132 265 240 ARG H H 9.36 0.02 1 1133 265 240 ARG C C 171.8 0.2 1 1134 265 240 ARG CA C 56.9 0.2 1 1135 265 240 ARG CB C 32.5 0.2 1 1136 265 240 ARG N N 116.4 0.2 1 1137 266 241 ALA H H 8.51 0.02 1 1138 266 241 ALA C C 176.5 0.2 1 1139 266 241 ALA CA C 51.0 0.2 1 1140 266 241 ALA CB C 21.4 0.2 1 1141 266 241 ALA N N 124.0 0.2 1 1142 267 242 PRO C C 176.8 0.2 1 1143 267 242 PRO CA C 65.3 0.2 1 1144 267 242 PRO CB C 33.1 0.2 1 1145 268 243 ASN H H 8.09 0.02 1 1146 268 243 ASN C C 176.1 0.2 1 1147 268 243 ASN CA C 51.5 0.2 1 1148 268 243 ASN CB C 40.0 0.2 1 1149 268 243 ASN N N 114.3 0.2 1 1150 269 244 LYS H H 8.74 0.02 1 1151 269 244 LYS C C 177.8 0.2 1 1152 269 244 LYS CA C 59.8 0.2 1 1153 269 244 LYS CB C 32.6 0.2 1 1154 269 244 LYS N N 127.8 0.2 1 1155 270 245 ASP H H 8.04 0.02 1 1156 270 245 ASP C C 176.3 0.2 1 1157 270 245 ASP CA C 53.7 0.2 1 1158 270 245 ASP CB C 40.2 0.2 1 1159 270 245 ASP N N 112.5 0.2 1 1160 271 246 ASP H H 7.43 0.02 1 1161 271 246 ASP C C 176.8 0.2 1 1162 271 246 ASP CA C 55.8 0.2 1 1163 271 246 ASP CB C 40.0 0.2 1 1164 271 246 ASP N N 121.9 0.2 1 1165 272 247 LYS H H 8.63 0.02 1 1166 272 247 LYS C C 178.0 0.2 1 1167 272 247 LYS CA C 55.5 0.2 1 1168 272 247 LYS CB C 33.1 0.2 1 1169 272 247 LYS N N 124.3 0.2 1 1170 273 248 HIS H H 7.92 0.02 1 1171 273 248 HIS C C 173.4 0.2 1 1172 273 248 HIS CA C 56.3 0.2 1 1173 273 248 HIS CB C 31.1 0.2 1 1174 273 248 HIS N N 118.5 0.2 1 1175 274 249 SER H H 8.79 0.02 1 1176 274 249 SER C C 176.2 0.2 1 1177 274 249 SER CA C 55.5 0.2 1 1178 274 249 SER CB C 63.9 0.2 1 1179 274 249 SER N N 112.9 0.2 1 1180 275 250 GLU H H 9.13 0.02 1 1181 275 250 GLU C C 176.9 0.2 1 1182 275 250 GLU CA C 61.1 0.2 1 1183 275 250 GLU CB C 28.7 0.2 1 1184 275 250 GLU N N 129.0 0.2 1 1185 276 251 ALA H H 8.06 0.02 1 1186 276 251 ALA C C 181.1 0.2 1 1187 276 251 ALA CA C 54.9 0.2 1 1188 276 251 ALA CB C 18.1 0.2 1 1189 276 251 ALA N N 120.6 0.2 1 1190 277 252 VAL H H 7.85 0.02 1 1191 277 252 VAL C C 176.7 0.2 1 1192 277 252 VAL CA C 65.6 0.2 1 1193 277 252 VAL CB C 31.4 0.2 1 1194 277 252 VAL N N 119.6 0.2 1 1195 278 253 ILE H H 6.89 0.02 1 1196 278 253 ILE C C 176.9 0.2 1 1197 278 253 ILE CA C 65.4 0.2 1 1198 278 253 ILE CB C 37.5 0.2 1 1199 278 253 ILE N N 120.0 0.2 1 1200 279 254 ALA H H 8.09 0.02 1 1201 279 254 ALA C C 179.3 0.2 1 1202 279 254 ALA CA C 55.6 0.2 1 1203 279 254 ALA CB C 18.3 0.2 1 1204 279 254 ALA N N 121.3 0.2 1 1205 280 255 ALA H H 8.32 0.02 1 1206 280 255 ALA C C 180.3 0.2 1 1207 280 255 ALA CA C 55.0 0.2 1 1208 280 255 ALA CB C 18.7 0.2 1 1209 280 255 ALA N N 119.7 0.2 1 1210 281 256 ALA H H 8.49 0.02 1 1211 281 256 ALA C C 179.0 0.2 1 1212 281 256 ALA CA C 54.9 0.2 1 1213 281 256 ALA CB C 18.4 0.2 1 1214 281 256 ALA N N 121.3 0.2 1 1215 282 257 ALA H H 8.14 0.02 1 1216 282 257 ALA C C 178.3 0.2 1 1217 282 257 ALA CA C 54.9 0.2 1 1218 282 257 ALA CB C 19.1 0.2 1 1219 282 257 ALA N N 119.1 0.2 1 1220 283 258 ARG H H 8.18 0.02 1 1221 283 258 ARG C C 178.7 0.2 1 1222 283 258 ARG CA C 60.1 0.2 1 1223 283 258 ARG CB C 29.8 0.2 1 1224 283 258 ARG N N 118.0 0.2 1 1225 284 259 LEU H H 7.78 0.02 1 1226 284 259 LEU C C 180.0 0.2 1 1227 284 259 LEU CA C 57.4 0.2 1 1228 284 259 LEU CB C 42.8 0.2 1 1229 284 259 LEU N N 118.4 0.2 1 1230 285 260 ALA H H 8.28 0.02 1 1231 285 260 ALA C C 178.2 0.2 1 1232 285 260 ALA CA C 55.4 0.2 1 1233 285 260 ALA CB C 17.9 0.2 1 1234 285 260 ALA N N 121.8 0.2 1 1235 286 261 LEU H H 8.20 0.02 1 1236 286 261 LEU C C 180.8 0.2 1 1237 286 261 LEU CA C 58.2 0.2 1 1238 286 261 LEU CB C 41.2 0.2 1 1239 286 261 LEU N N 115.6 0.2 1 1240 287 262 GLU H H 8.32 0.02 1 1241 287 262 GLU C C 179.5 0.2 1 1242 287 262 GLU CA C 59.0 0.2 1 1243 287 262 GLU CB C 29.4 0.2 1 1244 287 262 GLU N N 119.8 0.2 1 1245 288 263 GLY H H 8.00 0.02 1 1246 288 263 GLY C C 174.6 0.2 1 1247 288 263 GLY CA C 46.1 0.2 1 1248 288 263 GLY N N 106.5 0.2 1 1249 289 264 LEU H H 7.34 0.02 1 1250 289 264 LEU C C 177.0 0.2 1 1251 289 264 LEU CA C 55.4 0.2 1 1252 289 264 LEU CB C 42.6 0.2 1 1253 289 264 LEU N N 120.7 0.2 1 1254 290 265 GLY H H 7.39 0.02 1 1255 290 265 GLY C C 178.9 0.2 1 1256 290 265 GLY CA C 46.5 0.2 1 1257 290 265 GLY N N 112.9 0.2 1 stop_ save_