data_15917 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; TEM-1 BETA-LACTAMASE VARIANT ALLOSTERICALLY REGULATED BY KANAMYCIN ; _BMRB_accession_number 15917 _BMRB_flat_file_name bmr15917.str _Entry_type original _Submission_date 2008-08-13 _Accession_date 2008-08-13 _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 Volkov Alexander N. . 2 Ubbink Marcellus . . 3 Soumillion Patrice . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 487 "13C chemical shifts" 735 "15N chemical shifts" 487 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-13 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6024 'wt TEM-1 beta-lactamase' 6357 'wt TEM-1 beta-lactamase, corrected' stop_ _Original_release_date 2012-03-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Engineering an allosteric binding site for aminoglycosides into TEM1-beta-Lactamase' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21425229 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Volkov Alexander N. . 2 Barrios Humberto . . 3 Mathonet Pascale . . 4 Evrard Christine . . 5 Ubbink Marcellus . . 6 Declercq Jean-Paul . . 7 Soumillion Patrice . . 8 Fastrez Jacques . . stop_ _Journal_abbreviation Chembiochem _Journal_volume 12 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 904 _Page_last 913 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name blaKR _Enzyme_commission_number 3.5.2.6 loop_ _Mol_system_component_name _Mol_label beta-lactamase $blaKR stop_ _System_molecular_weight 29870 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function enzyme stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_blaKR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common blaKR _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 269 _Mol_residue_sequence ; HPETLVKVKDAEDQLCRTSH RPCRVGYIELDLNSGKILES FRPEERFPMMSTFKVLLCGA VLSRIDAGQEQLGRRIHYSQ NDLVKYSPVTEKHLTDGMTV RELCSAAITMSDNTAANLLL TTIGGPKELTAFLHNMGDHV TRLDRWEPELNEAIPNDERD TTMPVAMATTLRKLLTGELL TLASRQQLIDWMEADKVAGP LLRSALPAGWFIADKSGAGR RGSRGIIAALGPDGKPSRIV VIYTTGSRKKTDERNRQIAE IGASLIKHW ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 20 HIS 2 21 PRO 3 22 GLU 4 23 THR 5 24 LEU 6 25 VAL 7 26 LYS 8 27 VAL 9 28 LYS 10 29 ASP 11 30 ALA 12 31 GLU 13 32 ASP 14 33 GLN 15 34 LEU 16 35 CYS 17 36 ARG 18 37 THR 19 38 SER 20 39 HIS 21 40 ARG 22 41 PRO 23 42 CYS 24 43 ARG 25 44 VAL 26 45 GLY 27 46 TYR 28 47 ILE 29 48 GLU 30 49 LEU 31 50 ASP 32 51 LEU 33 52 ASN 34 53 SER 35 54 GLY 36 55 LYS 37 56 ILE 38 57 LEU 39 58 GLU 40 59 SER 41 60 PHE 42 61 ARG 43 62 PRO 44 63 GLU 45 64 GLU 46 65 ARG 47 66 PHE 48 67 PRO 49 68 MET 50 69 MET 51 70 SER 52 71 THR 53 72 PHE 54 73 LYS 55 74 VAL 56 75 LEU 57 76 LEU 58 77 CYS 59 78 GLY 60 79 ALA 61 80 VAL 62 81 LEU 63 82 SER 64 83 ARG 65 84 ILE 66 85 ASP 67 86 ALA 68 87 GLY 69 88 GLN 70 89 GLU 71 90 GLN 72 91 LEU 73 92 GLY 74 93 ARG 75 94 ARG 76 95 ILE 77 96 HIS 78 97 TYR 79 98 SER 80 99 GLN 81 100 ASN 82 101 ASP 83 102 LEU 84 103 VAL 85 104 LYS 86 105 TYR 87 106 SER 88 107 PRO 89 108 VAL 90 109 THR 91 110 GLU 92 111 LYS 93 112 HIS 94 113 LEU 95 114 THR 96 115 ASP 97 116 GLY 98 117 MET 99 118 THR 100 119 VAL 101 120 ARG 102 121 GLU 103 122 LEU 104 123 CYS 105 124 SER 106 125 ALA 107 126 ALA 108 127 ILE 109 128 THR 110 129 MET 111 130 SER 112 131 ASP 113 132 ASN 114 133 THR 115 134 ALA 116 135 ALA 117 136 ASN 118 137 LEU 119 138 LEU 120 139 LEU 121 140 THR 122 141 THR 123 142 ILE 124 143 GLY 125 144 GLY 126 145 PRO 127 146 LYS 128 147 GLU 129 148 LEU 130 149 THR 131 150 ALA 132 151 PHE 133 152 LEU 134 153 HIS 135 154 ASN 136 155 MET 137 156 GLY 138 157 ASP 139 158 HIS 140 159 VAL 141 160 THR 142 161 ARG 143 162 LEU 144 163 ASP 145 164 ARG 146 165 TRP 147 166 GLU 148 167 PRO 149 168 GLU 150 169 LEU 151 170 ASN 152 171 GLU 153 172 ALA 154 173 ILE 155 174 PRO 156 175 ASN 157 176 ASP 158 177 GLU 159 178 ARG 160 179 ASP 161 180 THR 162 181 THR 163 182 MET 164 183 PRO 165 184 VAL 166 185 ALA 167 186 MET 168 187 ALA 169 188 THR 170 189 THR 171 190 LEU 172 191 ARG 173 192 LYS 174 193 LEU 175 194 LEU 176 195 THR 177 196 GLY 178 197 GLU 179 198 LEU 180 199 LEU 181 200 THR 182 201 LEU 183 202 ALA 184 203 SER 185 204 ARG 186 205 GLN 187 206 GLN 188 207 LEU 189 208 ILE 190 209 ASP 191 210 TRP 192 211 MET 193 212 GLU 194 213 ALA 195 214 ASP 196 215 LYS 197 216 VAL 198 217 ALA 199 218 GLY 200 219 PRO 201 220 LEU 202 221 LEU 203 222 ARG 204 223 SER 205 224 ALA 206 225 LEU 207 226 PRO 208 227 ALA 209 228 GLY 210 229 TRP 211 230 PHE 212 231 ILE 213 232 ALA 214 233 ASP 215 234 LYS 216 235 SER 217 236 GLY 218 237 ALA 219 238 GLY 220 239 ARG 221 240 ARG 222 241 GLY 223 242 SER 224 243 ARG 225 244 GLY 226 245 ILE 227 246 ILE 228 247 ALA 229 248 ALA 230 249 LEU 231 250 GLY 232 251 PRO 233 252 ASP 234 253 GLY 235 254 LYS 236 255 PRO 237 256 SER 238 257 ARG 239 258 ILE 240 259 VAL 241 260 VAL 242 261 ILE 243 262 TYR 244 263 THR 245 264 THR 246 265 GLY 247 266 SER 248 267 ARG 249 268 LYS 250 269 LYS 251 270 THR 252 271 ASP 253 272 GLU 254 273 ARG 255 274 ASN 256 275 ARG 257 276 GLN 258 277 ILE 259 278 ALA 260 279 GLU 261 280 ILE 262 281 GLY 263 282 ALA 264 283 SER 265 284 LEU 266 285 ILE 267 286 LYS 268 287 HIS 269 288 TRP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2V1Z "Structure Of A Tem-1 Beta-Lactamase Insertant Allosterically Regulated By Kanamycin And Anions." 99.63 291 100.00 100.00 0.00e+00 PDB 2V20 "Structure Of A Tem-1 Beta-Lactamase Insertant Allosterically Regulated By Kanamycin And Anions. Complex With Sulfate" 99.63 291 100.00 100.00 0.00e+00 DBJ GAN11567 "beta-lactamase, partial [Mucor ambiguus]" 65.80 177 98.87 99.44 1.33e-122 GB AAA64566 "beta-lactamase [Cloning vector pSPL3]" 82.16 221 97.29 98.19 5.31e-154 GB AAB60535 "beta-lactamase [Cloning vector pSP65]" 82.16 221 97.29 98.19 5.31e-154 GB ABG56555 "Bla [Shuttle vector pMQ56]" 82.16 221 97.29 98.19 5.31e-154 GB ABG56563 "Bla [Shuttle vector pMQ70]" 82.16 221 97.29 98.19 5.31e-154 GB ABG56577 "Bla [Shuttle vector pMQ91]" 82.16 221 97.29 98.19 5.31e-154 REF WP_003520151 "class A beta-lactamase, partial [Ruminiclostridium thermocellum]" 78.07 210 97.14 98.10 6.92e-145 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $blaKR 'E. coli' 562 Bacteria . Escherichia coli BL21 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $blaKR 'recombinant technology' . Escherichia coli BL21(DE3) pET24 'pET24-blaKR(ompA) extracellular expression system (Sosa-Peinado, A. et al. Prot.Expr.Purif. (2000) 19, 235-45).' 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 $blaKR 0.6 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % '[U-100% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $blaKR 0.6 mM '[U-99% 15N]' MES 20 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_AZARA _Saveframe_category software _Name AZARA _Version . loop_ _Vendor _Address _Electronic_address Boucher . . stop_ loop_ _Task 'peak picking' processing stop_ _Details . save_ save_ANSIG _Saveframe_category software _Name ANSIG _Version . loop_ _Vendor _Address _Electronic_address Kraulis . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details 'Equipped with triple-channel TCI-Z-GRAD CryoProbe (Bruker)' 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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 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' 35 2 mM pH 6.6 0.05 pH pressure 1 . atm temperature 303 0.1 K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 1 mM pH 6.6 0.05 pH pressure 1 . atm temperature 303 0.1 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' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name beta-lactamase _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 2 PRO C C 179.282 0.2 1 2 21 2 PRO CA C 65.452 0.2 1 3 21 2 PRO CB C 32.118 0.2 1 4 22 3 GLU H H 10.872 0.01 1 5 22 3 GLU C C 179.668 0.2 1 6 22 3 GLU CA C 59.427 0.2 1 7 22 3 GLU CB C 28.265 0.2 1 8 22 3 GLU N N 122.018 0.2 1 9 23 4 THR H H 7.537 0.01 1 10 23 4 THR C C 175.912 0.2 1 11 23 4 THR CA C 64.842 0.2 1 12 23 4 THR CB C 67.555 0.2 1 13 23 4 THR N N 120.076 0.2 1 14 24 5 LEU H H 7.040 0.01 1 15 24 5 LEU C C 178.521 0.2 1 16 24 5 LEU CA C 57.606 0.2 1 17 24 5 LEU CB C 40.732 0.2 1 18 24 5 LEU N N 122.162 0.2 1 19 25 6 VAL H H 7.421 0.01 1 20 25 6 VAL C C 178.435 0.2 1 21 25 6 VAL CA C 66.856 0.2 1 22 25 6 VAL CB C 31.223 0.2 1 23 25 6 VAL N N 119.551 0.2 1 24 26 7 LYS H H 7.166 0.01 1 25 26 7 LYS C C 177.996 0.2 1 26 26 7 LYS CA C 57.147 0.2 1 27 26 7 LYS CB C 30.020 0.2 1 28 26 7 LYS N N 120.780 0.2 1 29 27 8 VAL H H 8.370 0.01 1 30 27 8 VAL C C 176.692 0.2 1 31 27 8 VAL CA C 67.038 0.2 1 32 27 8 VAL CB C 30.684 0.2 1 33 27 8 VAL N N 123.665 0.2 1 34 28 9 LYS H H 7.605 0.01 1 35 28 9 LYS C C 179.236 0.2 1 36 28 9 LYS CA C 59.842 0.2 1 37 28 9 LYS CB C 31.801 0.2 1 38 28 9 LYS N N 119.285 0.2 1 39 29 10 ASP H H 8.078 0.01 1 40 29 10 ASP C C 177.791 0.2 1 41 29 10 ASP CA C 57.406 0.2 1 42 29 10 ASP CB C 42.115 0.2 1 43 29 10 ASP N N 121.681 0.2 1 44 30 11 ALA H H 8.657 0.01 1 45 30 11 ALA C C 179.472 0.2 1 46 30 11 ALA CA C 54.843 0.2 1 47 30 11 ALA CB C 18.313 0.2 1 48 30 11 ALA N N 122.605 0.2 1 49 31 12 GLU H H 8.065 0.01 1 50 31 12 GLU C C 177.419 0.2 1 51 31 12 GLU CA C 61.108 0.2 1 52 31 12 GLU CB C 29.773 0.2 1 53 31 12 GLU N N 118.481 0.2 1 54 32 13 ASP H H 8.143 0.01 1 55 32 13 ASP C C 178.973 0.2 1 56 32 13 ASP CA C 57.761 0.2 1 57 32 13 ASP CB C 41.082 0.2 1 58 32 13 ASP N N 120.909 0.2 1 59 33 14 GLN H H 8.654 0.01 1 60 33 14 GLN C C 180.035 0.2 1 61 33 14 GLN CA C 59.133 0.2 1 62 33 14 GLN CB C 28.245 0.2 1 63 33 14 GLN N N 117.382 0.2 1 64 34 15 LEU H H 8.678 0.01 1 65 34 15 LEU C C 180.907 0.2 1 66 34 15 LEU CA C 56.734 0.2 1 67 34 15 LEU CB C 42.256 0.2 1 68 34 15 LEU N N 115.848 0.2 1 69 35 16 CYS H H 8.636 0.01 1 70 35 16 CYS C C 177.313 0.2 1 71 35 16 CYS CA C 53.381 0.2 1 72 35 16 CYS CB C 37.622 0.2 1 73 35 16 CYS N N 116.285 0.2 1 74 36 17 ARG H H 8.159 0.01 1 75 36 17 ARG CA C 60.281 0.2 1 76 36 17 ARG CB C 29.332 0.2 1 77 36 17 ARG N N 126.627 0.2 1 78 37 18 THR C C 176.761 0.2 1 79 37 18 THR CA C 64.091 0.2 1 80 38 19 SER H H 8.116 0.01 1 81 38 19 SER C C 176.256 0.2 1 82 38 19 SER CA C 53.339 0.2 1 83 38 19 SER CB C 62.353 0.2 1 84 38 19 SER N N 118.349 0.2 1 85 39 20 HIS H H 8.210 0.01 1 86 39 20 HIS C C 173.455 0.2 1 87 39 20 HIS CA C 56.588 0.2 1 88 39 20 HIS CB C 27.192 0.2 1 89 39 20 HIS N N 122.049 0.2 1 90 40 21 ARG H H 7.664 0.01 1 91 40 21 ARG CA C 54.053 0.2 1 92 40 21 ARG CB C 28.788 0.2 1 93 40 21 ARG N N 115.553 0.2 1 94 41 22 PRO C C 175.967 0.2 1 95 41 22 PRO CA C 64.556 0.2 1 96 41 22 PRO CB C 30.606 0.2 1 97 42 23 CYS H H 7.909 0.01 1 98 42 23 CYS C C 173.095 0.2 1 99 42 23 CYS CA C 54.870 0.2 1 100 42 23 CYS CB C 36.691 0.2 1 101 42 23 CYS N N 125.512 0.2 1 102 43 24 ARG H H 8.801 0.01 1 103 43 24 ARG C C 176.809 0.2 1 104 43 24 ARG CA C 54.690 0.2 1 105 43 24 ARG CB C 32.353 0.2 1 106 43 24 ARG N N 122.803 0.2 1 107 44 25 VAL H H 10.118 0.01 1 108 44 25 VAL C C 171.761 0.2 1 109 44 25 VAL CA C 61.805 0.2 1 110 44 25 VAL CB C 35.070 0.2 1 111 44 25 VAL N N 128.216 0.2 1 112 45 26 GLY H H 8.892 0.01 1 113 45 26 GLY C C 171.946 0.2 1 114 45 26 GLY CA C 44.080 0.2 1 115 45 26 GLY N N 112.187 0.2 1 116 46 27 TYR H H 9.375 0.01 1 117 46 27 TYR C C 173.854 0.2 1 118 46 27 TYR CA C 56.725 0.2 1 119 46 27 TYR CB C 45.388 0.2 1 120 46 27 TYR N N 124.359 0.2 1 121 47 28 ILE H H 7.935 0.01 1 122 47 28 ILE C C 170.686 0.2 1 123 47 28 ILE CA C 59.700 0.2 1 124 47 28 ILE CB C 41.889 0.2 1 125 47 28 ILE N N 126.249 0.2 1 126 48 29 GLU H H 7.649 0.01 1 127 48 29 GLU C C 174.898 0.2 1 128 48 29 GLU CA C 54.061 0.2 1 129 48 29 GLU CB C 34.456 0.2 1 130 48 29 GLU N N 124.691 0.2 1 131 49 30 LEU H H 9.537 0.01 1 132 49 30 LEU C C 175.686 0.2 1 133 49 30 LEU CA C 52.926 0.2 1 134 49 30 LEU CB C 47.178 0.2 1 135 49 30 LEU N N 127.345 0.2 1 136 50 31 ASP H H 8.933 0.01 1 137 50 31 ASP C C 176.817 0.2 1 138 50 31 ASP CA C 55.476 0.2 1 139 50 31 ASP CB C 43.002 0.2 1 140 50 31 ASP N N 127.266 0.2 1 141 51 32 LEU H H 8.078 0.01 1 142 51 32 LEU C C 177.445 0.2 1 143 51 32 LEU CA C 58.693 0.2 1 144 51 32 LEU CB C 43.000 0.2 1 145 51 32 LEU N N 129.819 0.2 1 146 52 33 ASN H H 8.544 0.01 1 147 52 33 ASN C C 177.001 0.2 1 148 52 33 ASN CA C 56.200 0.2 1 149 52 33 ASN CB C 38.555 0.2 1 150 52 33 ASN N N 117.220 0.2 1 151 53 34 SER H H 8.469 0.01 1 152 53 34 SER C C 176.460 0.2 1 153 53 34 SER CA C 58.982 0.2 1 154 53 34 SER CB C 65.643 0.2 1 155 53 34 SER N N 113.729 0.2 1 156 54 35 GLY H H 7.814 0.01 1 157 54 35 GLY C C 172.232 0.2 1 158 54 35 GLY CA C 45.466 0.2 1 159 54 35 GLY N N 113.208 0.2 1 160 55 36 LYS H H 7.538 0.01 1 161 55 36 LYS C C 175.970 0.2 1 162 55 36 LYS CA C 56.635 0.2 1 163 55 36 LYS CB C 33.386 0.2 1 164 55 36 LYS N N 120.188 0.2 1 165 56 37 ILE H H 8.540 0.01 1 166 56 37 ILE C C 176.101 0.2 1 167 56 37 ILE CA C 62.470 0.2 1 168 56 37 ILE CB C 37.408 0.2 1 169 56 37 ILE N N 125.735 0.2 1 170 57 38 LEU H H 8.742 0.01 1 171 57 38 LEU C C 176.894 0.2 1 172 57 38 LEU CA C 55.670 0.2 1 173 57 38 LEU CB C 41.819 0.2 1 174 57 38 LEU N N 131.109 0.2 1 175 58 39 GLU H H 7.343 0.01 1 176 58 39 GLU C C 174.650 0.2 1 177 58 39 GLU CA C 54.989 0.2 1 178 58 39 GLU CB C 34.098 0.2 1 179 58 39 GLU N N 116.548 0.2 1 180 59 40 SER H H 8.905 0.01 1 181 59 40 SER C C 171.665 0.2 1 182 59 40 SER CA C 58.133 0.2 1 183 59 40 SER CB C 66.890 0.2 1 184 59 40 SER N N 116.480 0.2 1 185 60 41 PHE H H 9.340 0.01 1 186 60 41 PHE C C 172.978 0.2 1 187 60 41 PHE CA C 59.088 0.2 1 188 60 41 PHE CB C 43.491 0.2 1 189 60 41 PHE N N 122.107 0.2 1 190 61 42 ARG H H 8.762 0.01 1 191 61 42 ARG CA C 57.715 0.2 1 192 61 42 ARG N N 123.233 0.2 1 193 62 43 PRO C C 177.246 0.2 1 194 62 43 PRO CA C 64.998 0.2 1 195 62 43 PRO CB C 32.422 0.2 1 196 63 44 GLU H H 8.353 0.01 1 197 63 44 GLU C C 175.154 0.2 1 198 63 44 GLU CA C 54.877 0.2 1 199 63 44 GLU CB C 28.987 0.2 1 200 63 44 GLU N N 116.358 0.2 1 201 64 45 GLU H H 6.788 0.01 1 202 64 45 GLU C C 174.388 0.2 1 203 64 45 GLU CA C 55.538 0.2 1 204 64 45 GLU CB C 31.032 0.2 1 205 64 45 GLU N N 118.803 0.2 1 206 65 46 ARG H H 8.301 0.01 1 207 65 46 ARG C C 177.274 0.2 1 208 65 46 ARG CA C 55.615 0.2 1 209 65 46 ARG CB C 31.852 0.2 1 210 65 46 ARG N N 117.920 0.2 1 211 66 47 PHE H H 8.59 0.01 1 212 66 47 PHE CA C 55.108 0.2 1 213 66 47 PHE N N 117.914 0.2 1 214 67 48 PRO C C 176.274 0.2 1 215 67 48 PRO CA C 62.568 0.2 1 216 68 49 MET H H 7.681 0.01 1 217 68 49 MET C C 179.738 0.2 1 218 68 49 MET CA C 58.427 0.2 1 219 68 49 MET N N 120.558 0.2 1 220 69 50 MET H H 10.388 0.01 1 221 69 50 MET CA C 56.192 0.2 1 222 69 50 MET N N 121.105 0.2 1 223 70 51 SER C C 175.928 0.2 1 224 70 51 SER CA C 62.741 0.2 1 225 71 52 THR H H 7.795 0.01 1 226 71 52 THR C C 175.214 0.2 1 227 71 52 THR CA C 65.868 0.2 1 228 71 52 THR CB C 68.928 0.2 1 229 71 52 THR N N 112.809 0.2 1 230 72 53 PHE H H 7.612 0.01 1 231 72 53 PHE C C 176.420 0.2 1 232 72 53 PHE CA C 59.335 0.2 1 233 72 53 PHE CB C 39.177 0.2 1 234 72 53 PHE N N 117.961 0.2 1 235 73 54 LYS H H 7.262 0.01 1 236 73 54 LYS C C 177.238 0.2 1 237 73 54 LYS CA C 59.877 0.2 1 238 73 54 LYS CB C 31.261 0.2 1 239 73 54 LYS N N 122.914 0.2 1 240 74 55 VAL H H 6.462 0.01 1 241 74 55 VAL C C 175.896 0.2 1 242 74 55 VAL CA C 66.380 0.2 1 243 74 55 VAL CB C 32.240 0.2 1 244 74 55 VAL N N 116.276 0.2 1 245 75 56 LEU H H 6.477 0.01 1 246 75 56 LEU C C 177.957 0.2 1 247 75 56 LEU CA C 57.235 0.2 1 248 75 56 LEU CB C 40.558 0.2 1 249 75 56 LEU N N 118.377 0.2 1 250 76 57 LEU H H 7.854 0.01 1 251 76 57 LEU C C 177.134 0.2 1 252 76 57 LEU CA C 57.309 0.2 1 253 76 57 LEU CB C 42.229 0.2 1 254 76 57 LEU N N 117.438 0.2 1 255 77 58 CYS H H 7.303 0.01 1 256 77 58 CYS C C 175.507 0.2 1 257 77 58 CYS CA C 63.864 0.2 1 258 77 58 CYS CB C 44.707 0.2 1 259 77 58 CYS N N 114.376 0.2 1 260 78 59 GLY H H 8.215 0.01 1 261 78 59 GLY C C 172.954 0.2 1 262 78 59 GLY CA C 47.777 0.2 1 263 78 59 GLY N N 111.549 0.2 1 264 79 60 ALA H H 7.630 0.01 1 265 79 60 ALA C C 180.799 0.2 1 266 79 60 ALA CA C 54.867 0.2 1 267 79 60 ALA CB C 16.500 0.2 1 268 79 60 ALA N N 125.194 0.2 1 269 80 61 VAL H H 7.836 0.01 1 270 80 61 VAL C C 177.880 0.2 1 271 80 61 VAL CA C 66.916 0.2 1 272 80 61 VAL CB C 31.854 0.2 1 273 80 61 VAL N N 120.389 0.2 1 274 81 62 LEU H H 8.449 0.01 1 275 81 62 LEU C C 178.105 0.2 1 276 81 62 LEU CA C 58.006 0.2 1 277 81 62 LEU CB C 40.652 0.2 1 278 81 62 LEU N N 120.457 0.2 1 279 82 63 SER H H 7.919 0.01 1 280 82 63 SER C C 177.854 0.2 1 281 82 63 SER CA C 61.722 0.2 1 282 82 63 SER CB C 62.604 0.2 1 283 82 63 SER N N 115.939 0.2 1 284 83 64 ARG H H 7.369 0.01 1 285 83 64 ARG C C 179.178 0.2 1 286 83 64 ARG CA C 59.248 0.2 1 287 83 64 ARG CB C 30.004 0.2 1 288 83 64 ARG N N 122.739 0.2 1 289 84 65 ILE H H 8.079 0.01 1 290 84 65 ILE C C 180.672 0.2 1 291 84 65 ILE CA C 64.123 0.2 1 292 84 65 ILE CB C 37.045 0.2 1 293 84 65 ILE N N 124.845 0.2 1 294 85 66 ASP H H 8.965 0.01 1 295 85 66 ASP C C 177.757 0.2 1 296 85 66 ASP CA C 57.230 0.2 1 297 85 66 ASP CB C 40.626 0.2 1 298 85 66 ASP N N 124.890 0.2 1 299 86 67 ALA H H 7.359 0.01 1 300 86 67 ALA C C 177.890 0.2 1 301 86 67 ALA CA C 52.153 0.2 1 302 86 67 ALA CB C 19.082 0.2 1 303 86 67 ALA N N 119.287 0.2 1 304 87 68 GLY H H 8.049 0.01 1 305 87 68 GLY C C 174.915 0.2 1 306 87 68 GLY CA C 45.669 0.2 1 307 87 68 GLY N N 108.376 0.2 1 308 88 69 GLN H H 8.216 0.01 1 309 88 69 GLN C C 173.176 0.2 1 310 88 69 GLN CA C 55.513 0.2 1 311 88 69 GLN CB C 29.913 0.2 1 312 88 69 GLN N N 118.144 0.2 1 313 89 70 GLU H H 7.307 0.01 1 314 89 70 GLU C C 172.367 0.2 1 315 89 70 GLU CA C 52.786 0.2 1 316 89 70 GLU CB C 33.335 0.2 1 317 89 70 GLU N N 119.315 0.2 1 318 90 71 GLN H H 9.863 0.01 1 319 90 71 GLN C C 175.699 0.2 1 320 90 71 GLN CA C 54.929 0.2 1 321 90 71 GLN CB C 31.636 0.2 1 322 90 71 GLN N N 125.491 0.2 1 323 91 72 LEU H H 8.879 0.01 1 324 91 72 LEU C C 177.347 0.2 1 325 91 72 LEU CA C 57.862 0.2 1 326 91 72 LEU CB C 42.255 0.2 1 327 91 72 LEU N N 124.171 0.2 1 328 92 73 GLY H H 8.155 0.01 1 329 92 73 GLY C C 173.984 0.2 1 330 92 73 GLY CA C 44.353 0.2 1 331 92 73 GLY N N 101.518 0.2 1 332 93 74 ARG H H 7.035 0.01 1 333 93 74 ARG C C 174.710 0.2 1 334 93 74 ARG CA C 58.127 0.2 1 335 93 74 ARG CB C 31.251 0.2 1 336 93 74 ARG N N 123.006 0.2 1 337 94 75 ARG H H 8.416 0.01 1 338 94 75 ARG C C 174.416 0.2 1 339 94 75 ARG CA C 56.387 0.2 1 340 94 75 ARG CB C 31.275 0.2 1 341 94 75 ARG N N 128.376 0.2 1 342 95 76 ILE H H 8.973 0.01 1 343 95 76 ILE C C 174.456 0.2 1 344 95 76 ILE CA C 60.429 0.2 1 345 95 76 ILE CB C 38.907 0.2 1 346 95 76 ILE N N 131.307 0.2 1 347 96 77 HIS H H 8.347 0.01 1 348 96 77 HIS C C 174.053 0.2 1 349 96 77 HIS CA C 55.278 0.2 1 350 96 77 HIS CB C 30.612 0.2 1 351 96 77 HIS N N 125.339 0.2 1 352 97 78 TYR H H 8.379 0.01 1 353 97 78 TYR C C 172.940 0.2 1 354 97 78 TYR CA C 55.879 0.2 1 355 97 78 TYR CB C 38.488 0.2 1 356 97 78 TYR N N 121.720 0.2 1 357 98 79 SER H H 9.298 0.01 1 358 98 79 SER C C 175.626 0.2 1 359 98 79 SER CA C 56.867 0.2 1 360 98 79 SER CB C 67.167 0.2 1 361 98 79 SER N N 115.413 0.2 1 362 99 80 GLN H H 8.946 0.01 1 363 99 80 GLN C C 177.973 0.2 1 364 99 80 GLN CA C 58.996 0.2 1 365 99 80 GLN CB C 27.828 0.2 1 366 99 80 GLN N N 122.624 0.2 1 367 100 81 ASN H H 8.091 0.01 1 368 100 81 ASN C C 175.549 0.2 1 369 100 81 ASN CA C 54.897 0.2 1 370 100 81 ASN CB C 37.865 0.2 1 371 100 81 ASN N N 116.203 0.2 1 372 101 82 ASP H H 7.734 0.01 1 373 101 82 ASP C C 175.553 0.2 1 374 101 82 ASP CA C 55.529 0.2 1 375 101 82 ASP CB C 42.353 0.2 1 376 101 82 ASP N N 117.322 0.2 1 377 102 83 LEU H H 6.988 0.01 1 378 102 83 LEU C C 177.864 0.2 1 379 102 83 LEU CA C 55.182 0.2 1 380 102 83 LEU CB C 41.572 0.2 1 381 102 83 LEU N N 117.561 0.2 1 382 103 84 VAL H H 7.664 0.01 1 383 103 84 VAL C C 176.657 0.2 1 384 103 84 VAL CA C 58.822 0.2 1 385 103 84 VAL CB C 34.067 0.2 1 386 103 84 VAL N N 118.685 0.2 1 387 104 85 LYS H H 8.169 0.01 1 388 104 85 LYS C C 175.252 0.2 1 389 104 85 LYS CA C 58.124 0.2 1 390 104 85 LYS CB C 32.457 0.2 1 391 104 85 LYS N N 124.545 0.2 1 392 105 86 TYR H H 8.567 0.01 1 393 105 86 TYR C C 172.638 0.2 1 394 105 86 TYR CA C 59.538 0.2 1 395 105 86 TYR CB C 35.173 0.2 1 396 105 86 TYR N N 121.237 0.2 1 397 106 87 SER H H 8.278 0.01 1 398 106 87 SER CA C 55.706 0.2 1 399 106 87 SER CB C 64.887 0.2 1 400 106 87 SER N N 120.68 0.2 1 401 107 88 PRO C C 177.669 0.2 1 402 107 88 PRO CA C 64.109 0.2 1 403 107 88 PRO CB C 31.722 0.2 1 404 108 89 VAL H H 8.518 0.01 1 405 108 89 VAL C C 179.044 0.2 1 406 108 89 VAL CA C 64.476 0.2 1 407 108 89 VAL CB C 32.813 0.2 1 408 108 89 VAL N N 119.250 0.2 1 409 109 90 THR H H 9.504 0.01 1 410 109 90 THR C C 181.916 0.2 1 411 109 90 THR CA C 63.903 0.2 1 412 109 90 THR CB C 69.174 0.2 1 413 109 90 THR N N 114.318 0.2 1 414 110 91 GLU H H 7.991 0.01 1 415 110 91 GLU C C 176.423 0.2 1 416 110 91 GLU CA C 58.753 0.2 1 417 110 91 GLU CB C 28.331 0.2 1 418 110 91 GLU N N 120.647 0.2 1 419 111 92 LYS H H 7.313 0.01 1 420 111 92 LYS C C 177.171 0.2 1 421 111 92 LYS CA C 55.741 0.2 1 422 111 92 LYS CB C 32.190 0.2 1 423 111 92 LYS N N 116.947 0.2 1 424 112 93 HIS H H 6.990 0.01 1 425 112 93 HIS C C 174.438 0.2 1 426 112 93 HIS CA C 55.073 0.2 1 427 112 93 HIS CB C 28.300 0.2 1 428 112 93 HIS N N 117.033 0.2 1 429 113 94 LEU H H 7.756 0.01 1 430 113 94 LEU C C 179.116 0.2 1 431 113 94 LEU CA C 58.094 0.2 1 432 113 94 LEU CB C 41.730 0.2 1 433 113 94 LEU N N 121.070 0.2 1 434 114 95 THR H H 8.180 0.01 1 435 114 95 THR C C 175.544 0.2 1 436 114 95 THR CA C 64.316 0.2 1 437 114 95 THR CB C 68.716 0.2 1 438 114 95 THR N N 110.179 0.2 1 439 115 96 ASP H H 8.673 0.01 1 440 115 96 ASP C C 177.598 0.2 1 441 115 96 ASP CA C 53.758 0.2 1 442 115 96 ASP CB C 40.102 0.2 1 443 115 96 ASP N N 117.814 0.2 1 444 116 97 GLY H H 7.761 0.01 1 445 116 97 GLY C C 171.536 0.2 1 446 116 97 GLY CA C 44.946 0.2 1 447 116 97 GLY N N 111.517 0.2 1 448 117 98 MET H H 8.155 0.01 1 449 117 98 MET C C 175.008 0.2 1 450 117 98 MET CA C 54.781 0.2 1 451 117 98 MET CB C 40.234 0.2 1 452 117 98 MET N N 114.223 0.2 1 453 118 99 THR H H 8.749 0.01 1 454 118 99 THR C C 175.812 0.2 1 455 118 99 THR CA C 60.012 0.2 1 456 118 99 THR CB C 71.056 0.2 1 457 118 99 THR N N 112.970 0.2 1 458 119 100 VAL H H 7.956 0.01 1 459 119 100 VAL C C 177.771 0.2 1 460 119 100 VAL CA C 68.130 0.2 1 461 119 100 VAL CB C 31.302 0.2 1 462 119 100 VAL N N 122.859 0.2 1 463 120 101 ARG H H 8.758 0.01 1 464 120 101 ARG C C 177.487 0.2 1 465 120 101 ARG CA C 60.154 0.2 1 466 120 101 ARG CB C 31.150 0.2 1 467 120 101 ARG N N 119.200 0.2 1 468 121 102 GLU H H 7.452 0.01 1 469 121 102 GLU C C 180.490 0.2 1 470 121 102 GLU CA C 58.255 0.2 1 471 121 102 GLU CB C 29.675 0.2 1 472 121 102 GLU N N 118.721 0.2 1 473 122 103 LEU H H 9.023 0.01 1 474 122 103 LEU C C 179.021 0.2 1 475 122 103 LEU CA C 57.966 0.2 1 476 122 103 LEU CB C 40.963 0.2 1 477 122 103 LEU N N 123.746 0.2 1 478 123 104 CYS H H 8.018 0.01 1 479 123 104 CYS C C 175.942 0.2 1 480 123 104 CYS CA C 62.293 0.2 1 481 123 104 CYS CB C 42.137 0.2 1 482 123 104 CYS N N 119.659 0.2 1 483 124 105 SER H H 7.523 0.01 1 484 124 105 SER C C 178.970 0.2 1 485 124 105 SER CA C 61.251 0.2 1 486 124 105 SER CB C 62.332 0.2 1 487 124 105 SER N N 113.931 0.2 1 488 125 106 ALA H H 8.345 0.01 1 489 125 106 ALA C C 180.191 0.2 1 490 125 106 ALA CA C 55.401 0.2 1 491 125 106 ALA CB C 17.207 0.2 1 492 125 106 ALA N N 125.435 0.2 1 493 126 107 ALA H H 8.513 0.01 1 494 126 107 ALA C C 178.266 0.2 1 495 126 107 ALA CA C 54.981 0.2 1 496 126 107 ALA CB C 17.186 0.2 1 497 126 107 ALA N N 121.735 0.2 1 498 127 108 ILE H H 8.021 0.01 1 499 127 108 ILE C C 176.407 0.2 1 500 127 108 ILE CA C 64.813 0.2 1 501 127 108 ILE N N 114.246 0.2 1 502 128 109 THR H H 8.777 0.01 1 503 128 109 THR C C 175.855 0.2 1 504 128 109 THR CA C 65.218 0.2 1 505 128 109 THR CB C 70.259 0.2 1 506 128 109 THR N N 110.194 0.2 1 507 129 110 MET H H 6.570 0.01 1 508 129 110 MET C C 176.152 0.2 1 509 129 110 MET CA C 52.860 0.2 1 510 129 110 MET CB C 33.160 0.2 1 511 129 110 MET N N 114.783 0.2 1 512 130 111 SER H H 6.964 0.01 1 513 130 111 SER C C 174.475 0.2 1 514 130 111 SER CA C 58.927 0.2 1 515 130 111 SER CB C 63.582 0.2 1 516 130 111 SER N N 115.934 0.2 1 517 131 112 ASP H H 7.295 0.01 1 518 131 112 ASP C C 176.607 0.2 1 519 131 112 ASP CA C 56.031 0.2 1 520 131 112 ASP CB C 44.069 0.2 1 521 131 112 ASP N N 121.863 0.2 1 522 132 113 ASN H H 8.587 0.01 1 523 132 113 ASN C C 177.763 0.2 1 524 132 113 ASN CA C 56.175 0.2 1 525 132 113 ASN CB C 38.727 0.2 1 526 132 113 ASN N N 128.135 0.2 1 527 133 114 THR H H 7.634 0.01 1 528 133 114 THR C C 176.412 0.2 1 529 133 114 THR CA C 67.980 0.2 1 530 133 114 THR CB C 67.111 0.2 1 531 133 114 THR N N 121.209 0.2 1 532 134 115 ALA H H 8.804 0.01 1 533 134 115 ALA C C 178.308 0.2 1 534 134 115 ALA CA C 55.108 0.2 1 535 134 115 ALA CB C 18.431 0.2 1 536 134 115 ALA N N 123.439 0.2 1 537 135 116 ALA H H 6.939 0.01 1 538 135 116 ALA C C 178.058 0.2 1 539 135 116 ALA CA C 54.477 0.2 1 540 135 116 ALA CB C 19.137 0.2 1 541 135 116 ALA N N 115.901 0.2 1 542 136 117 ASN H H 7.782 0.01 1 543 136 117 ASN C C 178.608 0.2 1 544 136 117 ASN CA C 56.043 0.2 1 545 136 117 ASN CB C 36.921 0.2 1 546 136 117 ASN N N 120.412 0.2 1 547 137 118 LEU H H 8.925 0.01 1 548 137 118 LEU C C 181.088 0.2 1 549 137 118 LEU CA C 58.081 0.2 1 550 137 118 LEU CB C 41.896 0.2 1 551 137 118 LEU N N 122.257 0.2 1 552 138 119 LEU H H 7.956 0.01 1 553 138 119 LEU C C 180.654 0.2 1 554 138 119 LEU CA C 57.346 0.2 1 555 138 119 LEU CB C 42.569 0.2 1 556 138 119 LEU N N 120.074 0.2 1 557 139 120 LEU H H 8.980 0.01 1 558 139 120 LEU C C 179.994 0.2 1 559 139 120 LEU CA C 57.765 0.2 1 560 139 120 LEU CB C 43.377 0.2 1 561 139 120 LEU N N 124.805 0.2 1 562 140 121 THR H H 8.585 0.01 1 563 140 121 THR C C 177.718 0.2 1 564 140 121 THR CA C 67.793 0.2 1 565 140 121 THR CB C 68.604 0.2 1 566 140 121 THR N N 119.040 0.2 1 567 141 122 THR H H 7.478 0.01 1 568 141 122 THR C C 175.656 0.2 1 569 141 122 THR CA C 65.332 0.2 1 570 141 122 THR CB C 68.761 0.2 1 571 141 122 THR N N 113.404 0.2 1 572 142 123 ILE H H 6.750 0.01 1 573 142 123 ILE C C 175.329 0.2 1 574 142 123 ILE CA C 60.965 0.2 1 575 142 123 ILE CB C 38.544 0.2 1 576 142 123 ILE N N 111.619 0.2 1 577 143 124 GLY H H 7.338 0.01 1 578 143 124 GLY C C 175.094 0.2 1 579 143 124 GLY CA C 44.877 0.2 1 580 143 124 GLY N N 107.114 0.2 1 581 144 125 GLY H H 8.054 0.01 1 582 144 125 GLY CA C 45.071 0.2 1 583 144 125 GLY N N 108.931 0.2 1 584 145 126 PRO C C 177.77 0.2 1 585 145 126 PRO CA C 66.290 0.2 1 586 145 126 PRO CB C 31.649 0.2 1 587 146 127 LYS H H 8.554 0.01 1 588 146 127 LYS C C 179.714 0.2 1 589 146 127 LYS CA C 59.382 0.2 1 590 146 127 LYS CB C 31.625 0.2 1 591 146 127 LYS N N 117.072 0.2 1 592 147 128 GLU H H 7.194 0.01 1 593 147 128 GLU C C 180.307 0.2 1 594 147 128 GLU CA C 56.945 0.2 1 595 147 128 GLU CB C 29.112 0.2 1 596 147 128 GLU N N 119.295 0.2 1 597 148 129 LEU H H 7.506 0.01 1 598 148 129 LEU C C 178.027 0.2 1 599 148 129 LEU CA C 57.335 0.2 1 600 148 129 LEU CB C 40.047 0.2 1 601 148 129 LEU N N 124.148 0.2 1 602 149 130 THR H H 8.023 0.01 1 603 149 130 THR C C 174.961 0.2 1 604 149 130 THR CA C 67.790 0.2 1 605 149 130 THR CB C 68.298 0.2 1 606 149 130 THR N N 117.813 0.2 1 607 150 131 ALA H H 7.756 0.01 1 608 150 131 ALA C C 179.380 0.2 1 609 150 131 ALA CA C 55.641 0.2 1 610 150 131 ALA CB C 17.708 0.2 1 611 150 131 ALA N N 123.938 0.2 1 612 151 132 PHE H H 7.642 0.01 1 613 151 132 PHE C C 177.658 0.2 1 614 151 132 PHE CA C 61.061 0.2 1 615 151 132 PHE CB C 37.957 0.2 1 616 151 132 PHE N N 121.185 0.2 1 617 152 133 LEU H H 7.885 0.01 1 618 152 133 LEU C C 178.959 0.2 1 619 152 133 LEU CA C 57.586 0.2 1 620 152 133 LEU CB C 39.502 0.2 1 621 152 133 LEU N N 122.330 0.2 1 622 153 134 HIS H H 8.767 0.01 1 623 153 134 HIS C C 179.721 0.2 1 624 153 134 HIS CA C 59.156 0.2 1 625 153 134 HIS CB C 28.614 0.2 1 626 153 134 HIS N N 121.533 0.2 1 627 154 135 ASN H H 8.250 0.01 1 628 154 135 ASN C C 176.408 0.2 1 629 154 135 ASN CA C 55.495 0.2 1 630 154 135 ASN CB C 37.861 0.2 1 631 154 135 ASN N N 118.990 0.2 1 632 155 136 MET H H 7.347 0.01 1 633 155 136 MET C C 175.750 0.2 1 634 155 136 MET CA C 55.127 0.2 1 635 155 136 MET CB C 31.592 0.2 1 636 155 136 MET N N 116.294 0.2 1 637 156 137 GLY H H 7.582 0.01 1 638 156 137 GLY C C 172.584 0.2 1 639 156 137 GLY CA C 45.085 0.2 1 640 156 137 GLY N N 108.482 0.2 1 641 157 138 ASP H H 7.876 0.01 1 642 157 138 ASP C C 174.557 0.2 1 643 157 138 ASP CA C 52.053 0.2 1 644 157 138 ASP CB C 39.500 0.2 1 645 157 138 ASP N N 122.376 0.2 1 646 158 139 HIS H H 8.199 0.01 1 647 158 139 HIS C C 174.857 0.2 1 648 158 139 HIS CA C 54.268 0.2 1 649 158 139 HIS CB C 29.111 0.2 1 650 158 139 HIS N N 122.002 0.2 1 651 159 140 VAL H H 8.589 0.01 1 652 159 140 VAL C C 175.979 0.2 1 653 159 140 VAL CA C 63.699 0.2 1 654 159 140 VAL CB C 34.578 0.2 1 655 159 140 VAL N N 122.186 0.2 1 656 160 141 THR H H 9.140 0.01 1 657 160 141 THR C C 172.638 0.2 1 658 160 141 THR CA C 64.723 0.2 1 659 160 141 THR CB C 66.875 0.2 1 660 160 141 THR N N 126.169 0.2 1 661 161 142 ARG H H 8.272 0.01 1 662 161 142 ARG C C 171.555 0.2 1 663 161 142 ARG CA C 53.856 0.2 1 664 161 142 ARG CB C 32.307 0.2 1 665 161 142 ARG N N 120.586 0.2 1 666 162 143 LEU H H 7.613 0.01 1 667 162 143 LEU C C 174.153 0.2 1 668 162 143 LEU CA C 53.103 0.2 1 669 162 143 LEU CB C 45.558 0.2 1 670 162 143 LEU N N 121.902 0.2 1 671 163 144 ASP H H 9.837 0.01 1 672 163 144 ASP C C 175.548 0.2 1 673 163 144 ASP CA C 55.301 0.2 1 674 163 144 ASP CB C 45.685 0.2 1 675 163 144 ASP N N 127.494 0.2 1 676 164 145 ARG H H 9.108 0.01 1 677 164 145 ARG C C 170.533 0.2 1 678 164 145 ARG CA C 55.089 0.2 1 679 164 145 ARG CB C 34.361 0.2 1 680 164 145 ARG N N 125.876 0.2 1 681 165 146 TRP H H 7.594 0.01 1 682 165 146 TRP C C 178.017 0.2 1 683 165 146 TRP CA C 54.956 0.2 1 684 165 146 TRP CB C 28.862 0.2 1 685 165 146 TRP N N 115.424 0.2 1 686 166 147 GLU H H 9.295 0.01 1 687 166 147 GLU CA C 54.914 0.2 1 688 166 147 GLU CB C 28.406 0.2 1 689 166 147 GLU N N 118.439 0.2 1 690 167 148 PRO C C 178.066 0.2 1 691 167 148 PRO CA C 63.684 0.2 1 692 167 148 PRO CB C 33.755 0.2 1 693 168 149 GLU H H 8.588 0.01 1 694 168 149 GLU C C 176.572 0.2 1 695 168 149 GLU CA C 60.844 0.2 1 696 168 149 GLU CB C 29.185 0.2 1 697 168 149 GLU N N 130.105 0.2 1 698 169 150 LEU H H 7.579 0.01 1 699 169 150 LEU C C 176.922 0.2 1 700 169 150 LEU CA C 57.102 0.2 1 701 169 150 LEU CB C 40.477 0.2 1 702 169 150 LEU N N 113.818 0.2 1 703 170 151 ASN H H 7.392 0.01 1 704 170 151 ASN C C 174.668 0.2 1 705 170 151 ASN CA C 53.703 0.2 1 706 170 151 ASN CB C 40.610 0.2 1 707 170 151 ASN N N 120.463 0.2 1 708 171 152 GLU H H 7.336 0.01 1 709 171 152 GLU C C 175.445 0.2 1 710 171 152 GLU CA C 60.808 0.2 1 711 171 152 GLU CB C 30.477 0.2 1 712 171 152 GLU N N 120.889 0.2 1 713 172 153 ALA H H 9.385 0.01 1 714 172 153 ALA C C 176.309 0.2 1 715 172 153 ALA CA C 51.946 0.2 1 716 172 153 ALA CB C 17.862 0.2 1 717 172 153 ALA N N 119.211 0.2 1 718 173 154 ILE H H 8.411 0.01 1 719 173 154 ILE CA C 60.293 0.2 1 720 173 154 ILE CB C 36.814 0.2 1 721 173 154 ILE N N 121.533 0.2 1 722 174 155 PRO C C 177.238 0.2 1 723 174 155 PRO CA C 64.425 0.2 1 724 174 155 PRO CB C 31.236 0.2 1 725 175 156 ASN H H 8.909 0.01 1 726 175 156 ASN C C 173.388 0.2 1 727 175 156 ASN CA C 54.648 0.2 1 728 175 156 ASN CB C 36.850 0.2 1 729 175 156 ASN N N 117.399 0.2 1 730 176 157 ASP H H 7.486 0.01 1 731 176 157 ASP C C 177.468 0.2 1 732 176 157 ASP CA C 53.345 0.2 1 733 176 157 ASP CB C 41.665 0.2 1 734 176 157 ASP N N 121.909 0.2 1 735 177 158 GLU H H 8.897 0.01 1 736 177 158 GLU C C 177.547 0.2 1 737 177 158 GLU CA C 56.677 0.2 1 738 177 158 GLU CB C 29.350 0.2 1 739 177 158 GLU N N 127.588 0.2 1 740 178 159 ARG H H 7.959 0.01 1 741 178 159 ARG C C 177.207 0.2 1 742 178 159 ARG CA C 57.200 0.2 1 743 178 159 ARG CB C 30.499 0.2 1 744 178 159 ARG N N 123.283 0.2 1 745 179 160 ASP H H 8.718 0.01 1 746 179 160 ASP C C 177.870 0.2 1 747 179 160 ASP CA C 55.689 0.2 1 748 179 160 ASP CB C 42.095 0.2 1 749 179 160 ASP N N 116.440 0.2 1 750 180 161 THR H H 7.093 0.01 1 751 180 161 THR C C 173.011 0.2 1 752 180 161 THR CA C 59.639 0.2 1 753 180 161 THR N N 105.632 0.2 1 754 181 162 THR H H 8.086 0.01 1 755 181 162 THR C C 173.597 0.2 1 756 181 162 THR CA C 59.689 0.2 1 757 181 162 THR CB C 69.045 0.2 1 758 181 162 THR N N 112.364 0.2 1 759 182 163 MET H H 8.316 0.01 1 760 182 163 MET CA C 53.032 0.2 1 761 182 163 MET CB C 34.866 0.2 1 762 182 163 MET N N 118.67 0.2 1 763 183 164 PRO C C 176.902 0.2 1 764 183 164 PRO CA C 67.463 0.2 1 765 183 164 PRO CB C 31.98 0.2 1 766 184 165 VAL H H 8.320 0.01 1 767 184 165 VAL C C 175.442 0.2 1 768 184 165 VAL CA C 65.426 0.2 1 769 184 165 VAL CB C 31.798 0.2 1 770 184 165 VAL N N 113.142 0.2 1 771 185 166 ALA H H 6.532 0.01 1 772 185 166 ALA C C 177.475 0.2 1 773 185 166 ALA CA C 54.504 0.2 1 774 185 166 ALA CB C 18.861 0.2 1 775 185 166 ALA N N 128.593 0.2 1 776 186 167 MET H H 8.077 0.01 1 777 186 167 MET C C 177.832 0.2 1 778 186 167 MET CA C 57.172 0.2 1 779 186 167 MET CB C 31.076 0.2 1 780 186 167 MET N N 116.838 0.2 1 781 187 168 ALA H H 8.175 0.01 1 782 187 168 ALA C C 178.297 0.2 1 783 187 168 ALA CA C 55.603 0.2 1 784 187 168 ALA CB C 19.216 0.2 1 785 187 168 ALA N N 118.105 0.2 1 786 188 169 THR H H 7.629 0.01 1 787 188 169 THR C C 177.471 0.2 1 788 188 169 THR CA C 66.319 0.2 1 789 188 169 THR CB C 68.978 0.2 1 790 188 169 THR N N 112.536 0.2 1 791 189 170 THR H H 8.942 0.01 1 792 189 170 THR C C 175.642 0.2 1 793 189 170 THR CA C 66.844 0.2 1 794 189 170 THR CB C 67.844 0.2 1 795 189 170 THR N N 125.365 0.2 1 796 190 171 LEU H H 8.656 0.01 1 797 190 171 LEU C C 178.114 0.2 1 798 190 171 LEU CA C 58.051 0.2 1 799 190 171 LEU CB C 41.312 0.2 1 800 190 171 LEU N N 122.302 0.2 1 801 191 172 ARG H H 7.980 0.01 1 802 191 172 ARG C C 178.568 0.2 1 803 191 172 ARG CA C 60.799 0.2 1 804 191 172 ARG CB C 28.756 0.2 1 805 191 172 ARG N N 118.868 0.2 1 806 192 173 LYS H H 7.873 0.01 1 807 192 173 LYS C C 178.541 0.2 1 808 192 173 LYS CA C 59.983 0.2 1 809 192 173 LYS CB C 32.595 0.2 1 810 192 173 LYS N N 121.691 0.2 1 811 193 174 LEU H H 7.905 0.01 1 812 193 174 LEU C C 177.408 0.2 1 813 193 174 LEU CA C 57.807 0.2 1 814 193 174 LEU CB C 42.578 0.2 1 815 193 174 LEU N N 118.110 0.2 1 816 194 175 LEU H H 7.873 0.01 1 817 194 175 LEU C C 178.198 0.2 1 818 194 175 LEU CA C 56.532 0.2 1 819 194 175 LEU CB C 42.812 0.2 1 820 194 175 LEU N N 112.293 0.2 1 821 195 176 THR H H 7.818 0.01 1 822 195 176 THR C C 174.580 0.2 1 823 195 176 THR CA C 60.861 0.2 1 824 195 176 THR CB C 72.019 0.2 1 825 195 176 THR N N 106.202 0.2 1 826 196 177 GLY H H 7.772 0.01 1 827 196 177 GLY C C 173.951 0.2 1 828 196 177 GLY CA C 44.946 0.2 1 829 196 177 GLY N N 111.216 0.2 1 830 197 178 GLU H H 8.261 0.01 1 831 197 178 GLU C C 176.360 0.2 1 832 197 178 GLU CA C 55.802 0.2 1 833 197 178 GLU CB C 29.309 0.2 1 834 197 178 GLU N N 117.561 0.2 1 835 198 179 LEU H H 7.336 0.01 1 836 198 179 LEU C C 177.343 0.2 1 837 198 179 LEU CA C 58.124 0.2 1 838 198 179 LEU CB C 42.614 0.2 1 839 198 179 LEU N N 123.424 0.2 1 840 199 180 LEU H H 8.551 0.01 1 841 199 180 LEU C C 177.481 0.2 1 842 199 180 LEU CA C 52.480 0.2 1 843 199 180 LEU CB C 44.059 0.2 1 844 199 180 LEU N N 119.041 0.2 1 845 200 181 THR H H 8.781 0.01 1 846 200 181 THR C C 175.284 0.2 1 847 200 181 THR CA C 62.019 0.2 1 848 200 181 THR CB C 71.526 0.2 1 849 200 181 THR N N 113.289 0.2 1 850 201 182 LEU H H 8.563 0.01 1 851 201 182 LEU C C 179.048 0.2 1 852 201 182 LEU CA C 58.793 0.2 1 853 201 182 LEU CB C 41.304 0.2 1 854 201 182 LEU N N 123.801 0.2 1 855 202 183 ALA H H 8.319 0.01 1 856 202 183 ALA C C 181.480 0.2 1 857 202 183 ALA CA C 54.833 0.2 1 858 202 183 ALA CB C 17.840 0.2 1 859 202 183 ALA N N 119.459 0.2 1 860 203 184 SER H H 7.611 0.01 1 861 203 184 SER C C 175.006 0.2 1 862 203 184 SER CA C 62.846 0.2 1 863 203 184 SER N N 119.412 0.2 1 864 204 185 ARG H H 8.929 0.01 1 865 204 185 ARG C C 178.471 0.2 1 866 204 185 ARG CA C 60.271 0.2 1 867 204 185 ARG CB C 30.761 0.2 1 868 204 185 ARG N N 124.411 0.2 1 869 205 186 GLN H H 8.057 0.01 1 870 205 186 GLN C C 177.038 0.2 1 871 205 186 GLN CA C 57.469 0.2 1 872 205 186 GLN CB C 28.030 0.2 1 873 205 186 GLN N N 118.519 0.2 1 874 206 187 GLN H H 7.453 0.01 1 875 206 187 GLN C C 177.781 0.2 1 876 206 187 GLN CA C 56.893 0.2 1 877 206 187 GLN CB C 28.200 0.2 1 878 206 187 GLN N N 118.850 0.2 1 879 207 188 LEU H H 7.837 0.01 1 880 207 188 LEU C C 178.203 0.2 1 881 207 188 LEU CA C 58.118 0.2 1 882 207 188 LEU CB C 41.239 0.2 1 883 207 188 LEU N N 121.740 0.2 1 884 208 189 ILE H H 7.649 0.01 1 885 208 189 ILE C C 177.165 0.2 1 886 208 189 ILE CA C 65.549 0.2 1 887 208 189 ILE CB C 37.973 0.2 1 888 208 189 ILE N N 119.026 0.2 1 889 209 190 ASP H H 8.533 0.01 1 890 209 190 ASP C C 181.365 0.2 1 891 209 190 ASP CA C 57.466 0.2 1 892 209 190 ASP CB C 39.674 0.2 1 893 209 190 ASP N N 123.084 0.2 1 894 210 191 TRP H H 7.913 0.01 1 895 210 191 TRP C C 177.058 0.2 1 896 210 191 TRP CA C 59.648 0.2 1 897 210 191 TRP CB C 28.476 0.2 1 898 210 191 TRP N N 121.563 0.2 1 899 211 192 MET H H 7.607 0.01 1 900 211 192 MET C C 180.115 0.2 1 901 211 192 MET CA C 59.365 0.2 1 902 211 192 MET N N 116.849 0.2 1 903 212 193 GLU H H 9.483 0.01 1 904 212 193 GLU C C 178.034 0.2 1 905 212 193 GLU CA C 59.529 0.2 1 906 212 193 GLU CB C 29.627 0.2 1 907 212 193 GLU N N 125.461 0.2 1 908 213 194 ALA H H 7.178 0.01 1 909 213 194 ALA C C 175.456 0.2 1 910 213 194 ALA CA C 51.606 0.2 1 911 213 194 ALA CB C 18.742 0.2 1 912 213 194 ALA N N 120.372 0.2 1 913 214 195 ASP H H 6.855 0.01 1 914 214 195 ASP CA C 54.767 0.2 1 915 214 195 ASP N N 116.527 0.2 1 916 216 197 VAL C C 174.967 0.2 1 917 216 197 VAL CA C 60.559 0.2 1 918 217 198 ALA H H 8.783 0.01 1 919 217 198 ALA CA C 50.453 0.2 1 920 217 198 ALA N N 126.227 0.2 1 921 221 202 LEU C C 178.453 0.2 1 922 221 202 LEU CA C 57.916 0.2 1 923 222 203 ARG H H 8.831 0.01 1 924 222 203 ARG C C 177.413 0.2 1 925 222 203 ARG CA C 59.783 0.2 1 926 222 203 ARG CB C 29.674 0.2 1 927 222 203 ARG N N 116.975 0.2 1 928 223 204 SER H H 6.895 0.01 1 929 223 204 SER C C 173.932 0.2 1 930 223 204 SER CA C 60.882 0.2 1 931 223 204 SER CB C 63.135 0.2 1 932 223 204 SER N N 113.976 0.2 1 933 224 205 ALA H H 7.141 0.01 1 934 224 205 ALA C C 176.182 0.2 1 935 224 205 ALA CA C 50.469 0.2 1 936 224 205 ALA CB C 19.280 0.2 1 937 224 205 ALA N N 123.671 0.2 1 938 225 206 LEU H H 6.555 0.01 1 939 225 206 LEU CA C 52.854 0.2 1 940 225 206 LEU CB C 43.679 0.2 1 941 225 206 LEU N N 121.698 0.2 1 942 226 207 PRO C C 175.725 0.2 1 943 226 207 PRO CA C 61.435 0.2 1 944 226 207 PRO CB C 32.961 0.2 1 945 227 208 ALA H H 8.114 0.01 1 946 227 208 ALA C C 179.341 0.2 1 947 227 208 ALA CA C 53.264 0.2 1 948 227 208 ALA CB C 17.974 0.2 1 949 227 208 ALA N N 123.570 0.2 1 950 228 209 GLY H H 8.691 0.01 1 951 228 209 GLY C C 175.26 0.2 1 952 228 209 GLY CA C 45.226 0.2 1 953 228 209 GLY N N 111.012 0.2 1 954 229 210 TRP H H 7.460 0.01 1 955 229 210 TRP C C 175.314 0.2 1 956 229 210 TRP CA C 58.992 0.2 1 957 229 210 TRP CB C 28.517 0.2 1 958 229 210 TRP N N 121.290 0.2 1 959 230 211 PHE H H 9.227 0.01 1 960 230 211 PHE C C 174.711 0.2 1 961 230 211 PHE CA C 56.631 0.2 1 962 230 211 PHE CB C 42.009 0.2 1 963 230 211 PHE N N 123.730 0.2 1 964 231 212 ILE H H 7.398 0.01 1 965 231 212 ILE C C 169.399 0.2 1 966 231 212 ILE CA C 60.449 0.2 1 967 231 212 ILE CB C 39.922 0.2 1 968 231 212 ILE N N 124.282 0.2 1 969 232 213 ALA H H 8.300 0.01 1 970 232 213 ALA C C 174.813 0.2 1 971 232 213 ALA CA C 50.458 0.2 1 972 232 213 ALA CB C 21.116 0.2 1 973 232 213 ALA N N 128.969 0.2 1 974 233 214 ASP H H 8.088 0.01 1 975 233 214 ASP C C 172.638 0.2 1 976 233 214 ASP CA C 52.821 0.2 1 977 233 214 ASP CB C 44.836 0.2 1 978 233 214 ASP N N 124.780 0.2 1 979 234 215 LYS H H 7.876 0.01 1 980 234 215 LYS CA C 55.503 0.2 1 981 234 215 LYS N N 110.337 0.2 1 982 235 216 SER C C 173.936 0.2 1 983 235 216 SER CA C 57.014 0.2 1 984 235 216 SER CB C 67.712 0.2 1 985 236 217 GLY H H 8.457 0.01 1 986 236 217 GLY CA C 46.217 0.2 1 987 236 217 GLY N N 103.748 0.2 1 988 237 218 ALA C C 175.781 0.2 1 989 237 218 ALA CA C 52.906 0.2 1 990 237 218 ALA CB C 22.825 0.2 1 991 238 219 GLY H H 7.797 0.01 1 992 238 219 GLY C C 172.711 0.2 1 993 238 219 GLY CA C 45.190 0.2 1 994 238 219 GLY N N 109.444 0.2 1 995 239 220 ARG H H 7.686 0.01 1 996 239 220 ARG C C 175.011 0.2 1 997 239 220 ARG CA C 55.850 0.2 1 998 239 220 ARG CB C 30.267 0.2 1 999 239 220 ARG N N 117.850 0.2 1 1000 240 221 ARG H H 7.844 0.01 1 1001 240 221 ARG C C 175.936 0.2 1 1002 240 221 ARG CA C 57.671 0.2 1 1003 240 221 ARG N N 129.355 0.2 1 1004 241 222 GLY H H 8.809 0.01 1 1005 241 222 GLY C C 176.942 0.2 1 1006 241 222 GLY CA C 46.206 0.2 1 1007 241 222 GLY N N 104.356 0.2 1 1008 242 223 SER H H 7.364 0.01 1 1009 242 223 SER C C 174.906 0.2 1 1010 242 223 SER CA C 59.894 0.2 1 1011 242 223 SER CB C 64.173 0.2 1 1012 242 223 SER N N 119.796 0.2 1 1013 243 224 ARG H H 8.943 0.01 1 1014 243 224 ARG C C 174.305 0.2 1 1015 243 224 ARG CA C 54.271 0.2 1 1016 243 224 ARG CB C 34.714 0.2 1 1017 243 224 ARG N N 127.544 0.2 1 1018 244 225 GLY H H 8.46 0.01 1 1019 244 225 GLY C C 170.061 0.2 1 1020 244 225 GLY CA C 46.674 0.2 1 1021 244 225 GLY N N 112.437 0.2 1 1022 245 226 ILE H H 9.027 0.01 1 1023 245 226 ILE C C 170.365 0.2 1 1024 245 226 ILE CA C 59.500 0.2 1 1025 245 226 ILE CB C 40.516 0.2 1 1026 245 226 ILE N N 117.467 0.2 1 1027 246 227 ILE H H 7.985 0.01 1 1028 246 227 ILE C C 174.540 0.2 1 1029 246 227 ILE CA C 58.284 0.2 1 1030 246 227 ILE CB C 39.765 0.2 1 1031 246 227 ILE N N 118.973 0.2 1 1032 247 228 ALA H H 8.805 0.01 1 1033 247 228 ALA C C 174.537 0.2 1 1034 247 228 ALA CA C 51.296 0.2 1 1035 247 228 ALA CB C 24.180 0.2 1 1036 247 228 ALA N N 123.389 0.2 1 1037 248 229 ALA H H 9.190 0.01 1 1038 248 229 ALA C C 175.509 0.2 1 1039 248 229 ALA CA C 50.258 0.2 1 1040 248 229 ALA CB C 20.142 0.2 1 1041 248 229 ALA N N 123.732 0.2 1 1042 249 230 LEU H H 9.145 0.01 1 1043 249 230 LEU C C 176.583 0.2 1 1044 249 230 LEU CA C 54.922 0.2 1 1045 249 230 LEU CB C 46.418 0.2 1 1046 249 230 LEU N N 122.114 0.2 1 1047 250 231 GLY H H 8.661 0.01 1 1048 250 231 GLY CA C 46.691 0.2 1 1049 250 231 GLY N N 111.192 0.2 1 1050 251 232 PRO C C 175.929 0.2 1 1051 251 232 PRO CA C 60.701 0.2 1 1052 251 232 PRO CB C 31.311 0.2 1 1053 252 233 ASP H H 7.805 0.01 1 1054 252 233 ASP C C 177.072 0.2 1 1055 252 233 ASP CA C 54.782 0.2 1 1056 252 233 ASP CB C 39.043 0.2 1 1057 252 233 ASP N N 115.052 0.2 1 1058 253 234 GLY H H 7.572 0.01 1 1059 253 234 GLY C C 173.324 0.2 1 1060 253 234 GLY CA C 46.687 0.2 1 1061 253 234 GLY N N 100.901 0.2 1 1062 254 235 LYS H H 7.029 0.01 1 1063 254 235 LYS CA C 52.138 0.2 1 1064 254 235 LYS CB C 34.276 0.2 1 1065 254 235 LYS N N 120.152 0.2 1 1066 255 236 PRO C C 176.025 0.2 1 1067 255 236 PRO CA C 61.990 0.2 1 1068 255 236 PRO CB C 31.369 0.2 1 1069 256 237 SER H H 8.406 0.01 1 1070 256 237 SER C C 174.451 0.2 1 1071 256 237 SER CA C 58.942 0.2 1 1072 256 237 SER CB C 65.544 0.2 1 1073 256 237 SER N N 113.107 0.2 1 1074 257 238 ARG H H 8.667 0.01 1 1075 257 238 ARG C C 174.373 0.2 1 1076 257 238 ARG CA C 55.778 0.2 1 1077 257 238 ARG CB C 35.978 0.2 1 1078 257 238 ARG N N 123.959 0.2 1 1079 258 239 ILE H H 9.075 0.01 1 1080 258 239 ILE C C 174.500 0.2 1 1081 258 239 ILE CA C 58.616 0.2 1 1082 258 239 ILE CB C 40.548 0.2 1 1083 258 239 ILE N N 123.480 0.2 1 1084 259 240 VAL H H 9.077 0.01 1 1085 259 240 VAL C C 173.389 0.2 1 1086 259 240 VAL CA C 59.585 0.2 1 1087 259 240 VAL CB C 35.854 0.2 1 1088 259 240 VAL N N 126.982 0.2 1 1089 260 241 VAL H H 8.117 0.01 1 1090 260 241 VAL C C 173.763 0.2 1 1091 260 241 VAL CA C 60.472 0.2 1 1092 260 241 VAL CB C 35.409 0.2 1 1093 260 241 VAL N N 126.094 0.2 1 1094 261 242 ILE H H 8.234 0.01 1 1095 261 242 ILE C C 174.129 0.2 1 1096 261 242 ILE CA C 60.030 0.2 1 1097 261 242 ILE CB C 41.406 0.2 1 1098 261 242 ILE N N 124.202 0.2 1 1099 262 243 TYR H H 8.539 0.01 1 1100 262 243 TYR C C 174.301 0.2 1 1101 262 243 TYR CA C 56.680 0.2 1 1102 262 243 TYR CB C 45.503 0.2 1 1103 262 243 TYR N N 122.766 0.2 1 1104 263 244 THR H H 8.903 0.01 1 1105 263 244 THR C C 171.617 0.2 1 1106 263 244 THR CA C 59.432 0.2 1 1107 263 244 THR CB C 69.912 0.2 1 1108 263 244 THR N N 112.041 0.2 1 1109 264 245 THR H H 8.375 0.01 1 1110 264 245 THR C C 170.877 0.2 1 1111 264 245 THR CA C 63.645 0.2 1 1112 264 245 THR CB C 69.951 0.2 1 1113 264 245 THR N N 124.435 0.2 1 1114 265 246 GLY H H 8.17 0.01 1 1115 265 246 GLY C C 176.203 0.2 1 1116 265 246 GLY CA C 45.802 0.2 1 1117 265 246 GLY N N 113.156 0.2 1 1118 266 247 SER H H 9.103 0.01 1 1119 266 247 SER C C 176.608 0.2 1 1120 266 247 SER CA C 60.197 0.2 1 1121 266 247 SER CB C 65.225 0.2 1 1122 266 247 SER N N 119.542 0.2 1 1123 267 248 ARG H H 9.061 0.01 1 1124 267 248 ARG C C 177.296 0.2 1 1125 267 248 ARG CA C 56.054 0.2 1 1126 267 248 ARG CB C 29.871 0.2 1 1127 267 248 ARG N N 124.904 0.2 1 1128 268 249 LYS H H 8.455 0.01 1 1129 268 249 LYS C C 176.972 0.2 1 1130 268 249 LYS CA C 54.883 0.2 1 1131 268 249 LYS CB C 31.677 0.2 1 1132 268 249 LYS N N 120.509 0.2 1 1133 269 250 LYS H H 8.821 0.01 1 1134 269 250 LYS CA C 56.321 0.2 1 1135 269 250 LYS CB C 32.876 0.2 1 1136 269 250 LYS N N 122.015 0.2 1 1137 270 251 THR C C 175.78 0.2 1 1138 270 251 THR CA C 67.613 0.2 1 1139 271 252 ASP H H 8.753 0.01 1 1140 271 252 ASP C C 178.319 0.2 1 1141 271 252 ASP CA C 57.724 0.2 1 1142 271 252 ASP CB C 39.783 0.2 1 1143 271 252 ASP N N 119.336 0.2 1 1144 272 253 GLU H H 7.195 0.01 1 1145 272 253 GLU C C 179.063 0.2 1 1146 272 253 GLU CA C 58.681 0.2 1 1147 272 253 GLU CB C 29.593 0.2 1 1148 272 253 GLU N N 120.775 0.2 1 1149 273 254 ARG H H 7.590 0.01 1 1150 273 254 ARG C C 177.486 0.2 1 1151 273 254 ARG CA C 60.497 0.2 1 1152 273 254 ARG CB C 30.493 0.2 1 1153 273 254 ARG N N 119.319 0.2 1 1154 274 255 ASN H H 8.447 0.01 1 1155 274 255 ASN C C 176.524 0.2 1 1156 274 255 ASN CA C 55.285 0.2 1 1157 274 255 ASN CB C 36.885 0.2 1 1158 274 255 ASN N N 117.382 0.2 1 1159 275 256 ARG H H 7.730 0.01 1 1160 275 256 ARG C C 178.643 0.2 1 1161 275 256 ARG CA C 59.067 0.2 1 1162 275 256 ARG CB C 29.789 0.2 1 1163 275 256 ARG N N 119.351 0.2 1 1164 276 257 GLN H H 7.556 0.01 1 1165 276 257 GLN C C 178.345 0.2 1 1166 276 257 GLN CA C 58.240 0.2 1 1167 276 257 GLN CB C 27.291 0.2 1 1168 276 257 GLN N N 115.616 0.2 1 1169 277 258 ILE H H 7.296 0.01 1 1170 277 258 ILE C C 177.108 0.2 1 1171 277 258 ILE CA C 65.973 0.2 1 1172 277 258 ILE CB C 36.389 0.2 1 1173 277 258 ILE N N 118.436 0.2 1 1174 278 259 ALA H H 8.515 0.01 1 1175 278 259 ALA C C 180.375 0.2 1 1176 278 259 ALA CA C 55.914 0.2 1 1177 278 259 ALA CB C 17.515 0.2 1 1178 278 259 ALA N N 124.014 0.2 1 1179 279 260 GLU H H 8.318 0.01 1 1180 279 260 GLU C C 180.760 0.2 1 1181 279 260 GLU CA C 59.639 0.2 1 1182 279 260 GLU CB C 29.609 0.2 1 1183 279 260 GLU N N 118.728 0.2 1 1184 280 261 ILE H H 7.881 0.01 1 1185 280 261 ILE C C 177.788 0.2 1 1186 280 261 ILE CA C 66.583 0.2 1 1187 280 261 ILE N N 124.078 0.2 1 1188 281 262 GLY H H 8.09 0.01 1 1189 281 262 GLY C C 173.831 0.2 1 1190 281 262 GLY CA C 47.564 0.2 1 1191 281 262 GLY N N 106.681 0.2 1 1192 282 263 ALA H H 8.431 0.01 1 1193 282 263 ALA C C 180.097 0.2 1 1194 282 263 ALA CA C 55.065 0.2 1 1195 282 263 ALA CB C 17.511 0.2 1 1196 282 263 ALA N N 122.891 0.2 1 1197 283 264 SER H H 7.387 0.01 1 1198 283 264 SER C C 176.150 0.2 1 1199 283 264 SER CA C 61.747 0.2 1 1200 283 264 SER CB C 62.777 0.2 1 1201 283 264 SER N N 114.381 0.2 1 1202 284 265 LEU H H 8.121 0.01 1 1203 284 265 LEU C C 178.648 0.2 1 1204 284 265 LEU CA C 58.007 0.2 1 1205 284 265 LEU CB C 40.869 0.2 1 1206 284 265 LEU N N 123.567 0.2 1 1207 285 266 ILE H H 7.774 0.01 1 1208 285 266 ILE C C 178.418 0.2 1 1209 285 266 ILE CA C 63.646 0.2 1 1210 285 266 ILE CB C 37.203 0.2 1 1211 285 266 ILE N N 118.711 0.2 1 1212 286 267 LYS H H 7.939 0.01 1 1213 286 267 LYS C C 177.890 0.2 1 1214 286 267 LYS CA C 58.875 0.2 1 1215 286 267 LYS CB C 32.287 0.2 1 1216 286 267 LYS N N 121.939 0.2 1 1217 287 268 HIS H H 7.493 0.01 1 1218 287 268 HIS C C 173.721 0.2 1 1219 287 268 HIS CA C 54.710 0.2 1 1220 287 268 HIS CB C 27.425 0.2 1 1221 287 268 HIS N N 115.131 0.2 1 1222 288 269 TRP H H 7.086 0.01 1 1223 288 269 TRP CA C 62.273 0.2 1 1224 288 269 TRP CB C 30.028 0.2 1 1225 288 269 TRP N N 129.616 0.2 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name beta-lactamase _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 22 3 GLU H H 10.902 0.01 1 2 22 3 GLU N N 122.082 0.2 1 3 23 4 THR H H 7.543 0.01 1 4 23 4 THR N N 120.265 0.2 1 5 24 5 LEU H H 7.055 0.01 1 6 24 5 LEU N N 122.312 0.2 1 7 25 6 VAL H H 7.436 0.01 1 8 25 6 VAL N N 119.522 0.2 1 9 26 7 LYS H H 7.139 0.01 1 10 26 7 LYS N N 120.758 0.2 1 11 27 8 VAL H H 8.399 0.01 1 12 27 8 VAL N N 123.835 0.2 1 13 28 9 LYS H H 7.616 0.01 1 14 28 9 LYS N N 119.382 0.2 1 15 29 10 ASP H H 8.071 0.01 1 16 29 10 ASP N N 121.749 0.2 1 17 30 11 ALA H H 8.691 0.01 1 18 30 11 ALA N N 122.626 0.2 1 19 31 12 GLU H H 8.069 0.01 1 20 31 12 GLU N N 118.564 0.2 1 21 32 13 ASP H H 8.120 0.01 1 22 32 13 ASP N N 120.911 0.2 1 23 33 14 GLN H H 8.707 0.01 1 24 33 14 GLN N N 117.406 0.2 1 25 34 15 LEU H H 8.684 0.01 1 26 34 15 LEU N N 115.800 0.2 1 27 35 16 CYS H H 8.650 0.01 1 28 35 16 CYS N N 116.449 0.2 1 29 36 17 ARG H H 8.229 0.01 1 30 36 17 ARG N N 126.924 0.2 1 31 39 20 HIS H H 8.221 0.01 1 32 39 20 HIS N N 121.626 0.2 1 33 40 21 ARG H H 7.662 0.01 1 34 40 21 ARG N N 115.284 0.2 1 35 42 23 CYS H H 7.922 0.01 1 36 42 23 CYS N N 125.545 0.2 1 37 43 24 ARG H H 8.792 0.01 1 38 43 24 ARG N N 122.838 0.2 1 39 44 25 VAL H H 10.139 0.01 1 40 44 25 VAL N N 128.291 0.2 1 41 45 26 GLY H H 8.896 0.01 1 42 45 26 GLY N N 112.079 0.2 1 43 46 27 TYR H H 9.386 0.01 1 44 46 27 TYR N N 124.334 0.2 1 45 47 28 ILE H H 7.940 0.01 1 46 47 28 ILE N N 126.225 0.2 1 47 48 29 GLU H H 7.645 0.01 1 48 48 29 GLU N N 124.788 0.2 1 49 49 30 LEU H H 9.540 0.01 1 50 49 30 LEU N N 127.328 0.2 1 51 50 31 ASP H H 8.929 0.01 1 52 50 31 ASP N N 127.103 0.2 1 53 51 32 LEU H H 8.085 0.01 1 54 51 32 LEU N N 129.830 0.2 1 55 52 33 ASN H H 8.546 0.01 1 56 52 33 ASN N N 117.302 0.2 1 57 53 34 SER H H 8.472 0.01 1 58 53 34 SER N N 113.737 0.2 1 59 54 35 GLY H H 7.820 0.01 1 60 54 35 GLY N N 113.211 0.2 1 61 55 36 LYS H H 7.542 0.01 1 62 55 36 LYS N N 120.260 0.2 1 63 56 37 ILE H H 8.541 0.01 1 64 56 37 ILE N N 125.726 0.2 1 65 57 38 LEU H H 8.748 0.01 1 66 57 38 LEU N N 131.135 0.2 1 67 58 39 GLU H H 7.343 0.01 1 68 58 39 GLU N N 116.684 0.2 1 69 59 40 SER H H 8.918 0.01 1 70 59 40 SER N N 116.555 0.2 1 71 60 41 PHE H H 9.346 0.01 1 72 60 41 PHE N N 122.005 0.2 1 73 61 42 ARG H H 8.761 0.01 1 74 61 42 ARG N N 123.152 0.2 1 75 63 44 GLU H H 8.359 0.01 1 76 63 44 GLU N N 116.421 0.2 1 77 64 45 GLU H H 6.796 0.01 1 78 64 45 GLU N N 118.868 0.2 1 79 65 46 ARG H H 8.306 0.01 1 80 65 46 ARG N N 117.974 0.2 1 81 66 47 PHE H H 8.620 0.01 1 82 66 47 PHE N N 118.029 0.2 1 83 69 50 MET H H 10.405 0.01 1 84 69 50 MET N N 121.311 0.2 1 85 71 52 THR H H 7.794 0.01 1 86 71 52 THR N N 113.246 0.2 1 87 72 53 PHE H H 7.669 0.01 1 88 72 53 PHE N N 117.942 0.2 1 89 73 54 LYS H H 7.239 0.01 1 90 73 54 LYS N N 122.997 0.2 1 91 74 55 VAL H H 6.471 0.01 1 92 74 55 VAL N N 116.333 0.2 1 93 75 56 LEU H H 6.465 0.01 1 94 75 56 LEU N N 118.425 0.2 1 95 76 57 LEU H H 7.913 0.01 1 96 76 57 LEU N N 117.479 0.2 1 97 77 58 CYS H H 7.281 0.01 1 98 77 58 CYS N N 114.452 0.2 1 99 78 59 GLY H H 8.238 0.01 1 100 78 59 GLY N N 111.632 0.2 1 101 79 60 ALA H H 7.650 0.01 1 102 79 60 ALA N N 125.244 0.2 1 103 80 61 VAL H H 7.846 0.01 1 104 80 61 VAL N N 120.430 0.2 1 105 81 62 LEU H H 8.442 0.01 1 106 81 62 LEU N N 120.496 0.2 1 107 82 63 SER H H 7.926 0.01 1 108 82 63 SER N N 115.975 0.2 1 109 83 64 ARG H H 7.377 0.01 1 110 83 64 ARG N N 122.745 0.2 1 111 84 65 ILE H H 8.095 0.01 1 112 84 65 ILE N N 124.920 0.2 1 113 85 66 ASP H H 8.968 0.01 1 114 85 66 ASP N N 124.983 0.2 1 115 86 67 ALA H H 7.368 0.01 1 116 86 67 ALA N N 119.268 0.2 1 117 87 68 GLY H H 8.050 0.01 1 118 87 68 GLY N N 108.405 0.2 1 119 88 69 GLN H H 8.223 0.01 1 120 88 69 GLN N N 118.221 0.2 1 121 89 70 GLU H H 7.315 0.01 1 122 89 70 GLU N N 119.373 0.2 1 123 90 71 GLN H H 9.871 0.01 1 124 90 71 GLN N N 125.474 0.2 1 125 91 72 LEU H H 8.880 0.01 1 126 91 72 LEU N N 124.176 0.2 1 127 92 73 GLY H H 8.151 0.01 1 128 92 73 GLY N N 101.532 0.2 1 129 93 74 ARG H H 7.042 0.01 1 130 93 74 ARG N N 123.065 0.2 1 131 94 75 ARG H H 8.407 0.01 1 132 94 75 ARG N N 128.361 0.2 1 133 95 76 ILE H H 8.975 0.01 1 134 95 76 ILE N N 131.281 0.2 1 135 96 77 HIS H H 8.332 0.01 1 136 96 77 HIS N N 125.521 0.2 1 137 97 78 TYR H H 8.404 0.01 1 138 97 78 TYR N N 121.661 0.2 1 139 98 79 SER H H 9.289 0.01 1 140 98 79 SER N N 115.322 0.2 1 141 99 80 GLN H H 8.952 0.01 1 142 99 80 GLN N N 122.622 0.2 1 143 100 81 ASN H H 8.100 0.01 1 144 100 81 ASN N N 116.339 0.2 1 145 101 82 ASP H H 7.733 0.01 1 146 101 82 ASP N N 117.405 0.2 1 147 102 83 LEU H H 6.980 0.01 1 148 102 83 LEU N N 117.351 0.2 1 149 103 84 VAL H H 7.658 0.01 1 150 103 84 VAL N N 119.041 0.2 1 151 104 85 LYS H H 8.188 0.01 1 152 104 85 LYS N N 124.794 0.2 1 153 105 86 TYR H H 8.609 0.01 1 154 105 86 TYR N N 121.818 0.2 1 155 106 87 SER H H 8.266 0.01 1 156 106 87 SER N N 120.510 0.2 1 157 108 89 VAL H H 8.486 0.01 1 158 108 89 VAL N N 119.063 0.2 1 159 109 90 THR H H 9.411 0.01 1 160 109 90 THR N N 114.149 0.2 1 161 110 91 GLU H H 8.084 0.01 1 162 110 91 GLU N N 120.712 0.2 1 163 111 92 LYS H H 7.304 0.01 1 164 111 92 LYS N N 117.119 0.2 1 165 112 93 HIS H H 6.979 0.01 1 166 112 93 HIS N N 117.086 0.2 1 167 113 94 LEU H H 7.745 0.01 1 168 113 94 LEU N N 121.068 0.2 1 169 114 95 THR H H 8.175 0.01 1 170 114 95 THR N N 110.141 0.2 1 171 115 96 ASP H H 8.654 0.01 1 172 115 96 ASP N N 117.876 0.2 1 173 116 97 GLY H H 7.757 0.01 1 174 116 97 GLY N N 111.593 0.2 1 175 117 98 MET H H 8.170 0.01 1 176 117 98 MET N N 114.196 0.2 1 177 118 99 THR H H 8.733 0.01 1 178 118 99 THR N N 112.880 0.2 1 179 119 100 VAL H H 7.954 0.01 1 180 119 100 VAL N N 122.872 0.2 1 181 120 101 ARG H H 8.760 0.01 1 182 120 101 ARG N N 119.084 0.2 1 183 121 102 GLU H H 7.459 0.01 1 184 121 102 GLU N N 118.681 0.2 1 185 122 103 LEU H H 9.018 0.01 1 186 122 103 LEU N N 123.779 0.2 1 187 123 104 CYS H H 8.023 0.01 1 188 123 104 CYS N N 119.712 0.2 1 189 124 105 SER H H 7.522 0.01 1 190 124 105 SER N N 113.945 0.2 1 191 125 106 ALA H H 8.329 0.01 1 192 125 106 ALA N N 125.344 0.2 1 193 126 107 ALA H H 8.526 0.01 1 194 126 107 ALA N N 121.777 0.2 1 195 127 108 ILE H H 8.002 0.01 1 196 127 108 ILE N N 114.157 0.2 1 197 128 109 THR H H 8.706 0.01 1 198 128 109 THR N N 109.424 0.2 1 199 129 110 MET H H 6.571 0.01 1 200 129 110 MET N N 114.371 0.2 1 201 130 111 SER H H 6.858 0.01 1 202 130 111 SER N N 115.757 0.2 1 203 131 112 ASP H H 7.270 0.01 1 204 131 112 ASP N N 121.899 0.2 1 205 132 113 ASN H H 8.516 0.01 1 206 132 113 ASN N N 127.753 0.2 1 207 133 114 THR H H 7.642 0.01 1 208 133 114 THR N N 121.227 0.2 1 209 134 115 ALA H H 8.797 0.01 1 210 134 115 ALA N N 123.458 0.2 1 211 135 116 ALA H H 6.858 0.01 1 212 135 116 ALA N N 115.754 0.2 1 213 136 117 ASN H H 7.745 0.01 1 214 136 117 ASN N N 120.493 0.2 1 215 137 118 LEU H H 8.901 0.01 1 216 137 118 LEU N N 122.170 0.2 1 217 138 119 LEU H H 7.916 0.01 1 218 138 119 LEU N N 120.125 0.2 1 219 139 120 LEU H H 9.007 0.01 1 220 139 120 LEU N N 124.779 0.2 1 221 140 121 THR H H 8.570 0.01 1 222 140 121 THR N N 119.060 0.2 1 223 141 122 THR H H 7.486 0.01 1 224 141 122 THR N N 113.483 0.2 1 225 142 123 ILE H H 6.756 0.01 1 226 142 123 ILE N N 111.626 0.2 1 227 143 124 GLY H H 7.341 0.01 1 228 143 124 GLY N N 107.184 0.2 1 229 144 125 GLY H H 8.064 0.01 1 230 144 125 GLY N N 108.997 0.2 1 231 146 127 LYS H H 8.560 0.01 1 232 146 127 LYS N N 116.985 0.2 1 233 147 128 GLU H H 7.209 0.01 1 234 147 128 GLU N N 119.347 0.2 1 235 148 129 LEU H H 7.502 0.01 1 236 148 129 LEU N N 124.232 0.2 1 237 149 130 THR H H 8.033 0.01 1 238 149 130 THR N N 117.844 0.2 1 239 150 131 ALA H H 7.763 0.01 1 240 150 131 ALA N N 123.953 0.2 1 241 151 132 PHE H H 7.642 0.01 1 242 151 132 PHE N N 121.225 0.2 1 243 152 133 LEU H H 7.893 0.01 1 244 152 133 LEU N N 122.384 0.2 1 245 153 134 HIS H H 8.773 0.01 1 246 153 134 HIS N N 121.585 0.2 1 247 154 135 ASN H H 8.258 0.01 1 248 154 135 ASN N N 119.046 0.2 1 249 155 136 MET H H 7.353 0.01 1 250 155 136 MET N N 116.224 0.2 1 251 156 137 GLY H H 7.590 0.01 1 252 156 137 GLY N N 108.568 0.2 1 253 157 138 ASP H H 7.892 0.01 1 254 157 138 ASP N N 122.384 0.2 1 255 158 139 HIS H H 8.187 0.01 1 256 158 139 HIS N N 122.084 0.2 1 257 159 140 VAL H H 8.595 0.01 1 258 159 140 VAL N N 122.348 0.2 1 259 160 141 THR H H 9.132 0.01 1 260 160 141 THR N N 126.157 0.2 1 261 161 142 ARG H H 8.264 0.01 1 262 161 142 ARG N N 120.465 0.2 1 263 162 143 LEU H H 7.628 0.01 1 264 162 143 LEU N N 121.848 0.2 1 265 163 144 ASP H H 9.851 0.01 1 266 163 144 ASP N N 127.564 0.2 1 267 164 145 ARG H H 9.110 0.01 1 268 164 145 ARG N N 125.957 0.2 1 269 165 146 TRP H H 7.602 0.01 1 270 165 146 TRP N N 115.490 0.2 1 271 166 147 GLU H H 9.242 0.01 1 272 166 147 GLU N N 119.200 0.2 1 273 168 149 GLU H H 8.515 0.01 1 274 168 149 GLU N N 130.135 0.2 1 275 169 150 LEU H H 7.575 0.01 1 276 169 150 LEU N N 113.935 0.2 1 277 170 151 ASN H H 7.389 0.01 1 278 170 151 ASN N N 120.536 0.2 1 279 171 152 GLU H H 7.303 0.01 1 280 171 152 GLU N N 121.008 0.2 1 281 172 153 ALA H H 9.461 0.01 1 282 172 153 ALA N N 119.135 0.2 1 283 173 154 ILE H H 8.404 0.01 1 284 173 154 ILE N N 121.665 0.2 1 285 175 156 ASN H H 8.845 0.01 1 286 175 156 ASN N N 117.157 0.2 1 287 176 157 ASP H H 7.424 0.01 1 288 176 157 ASP N N 121.852 0.2 1 289 177 158 GLU H H 8.917 0.01 1 290 177 158 GLU N N 127.618 0.2 1 291 178 159 ARG H H 7.954 0.01 1 292 178 159 ARG N N 123.310 0.2 1 293 179 160 ASP H H 8.721 0.01 1 294 179 160 ASP N N 116.493 0.2 1 295 180 161 THR H H 7.103 0.01 1 296 180 161 THR N N 105.743 0.2 1 297 181 162 THR H H 8.088 0.01 1 298 181 162 THR N N 112.265 0.2 1 299 182 163 MET H H 8.326 0.01 1 300 182 163 MET N N 118.588 0.2 1 301 184 165 VAL H H 8.316 0.01 1 302 184 165 VAL N N 113.149 0.2 1 303 185 166 ALA H H 6.537 0.01 1 304 185 166 ALA N N 128.632 0.2 1 305 186 167 MET H H 8.074 0.01 1 306 186 167 MET N N 116.846 0.2 1 307 187 168 ALA H H 8.181 0.01 1 308 187 168 ALA N N 118.181 0.2 1 309 188 169 THR H H 7.632 0.01 1 310 188 169 THR N N 112.581 0.2 1 311 189 170 THR H H 8.933 0.01 1 312 189 170 THR N N 125.472 0.2 1 313 190 171 LEU H H 8.666 0.01 1 314 190 171 LEU N N 122.266 0.2 1 315 191 172 ARG H H 7.985 0.01 1 316 191 172 ARG N N 118.911 0.2 1 317 192 173 LYS H H 7.882 0.01 1 318 192 173 LYS N N 121.697 0.2 1 319 193 174 LEU H H 7.911 0.01 1 320 193 174 LEU N N 118.128 0.2 1 321 194 175 LEU H H 7.877 0.01 1 322 194 175 LEU N N 112.301 0.2 1 323 195 176 THR H H 7.829 0.01 1 324 195 176 THR N N 106.273 0.2 1 325 196 177 GLY H H 7.782 0.01 1 326 196 177 GLY N N 111.231 0.2 1 327 197 178 GLU H H 8.262 0.01 1 328 197 178 GLU N N 117.539 0.2 1 329 198 179 LEU H H 7.334 0.01 1 330 198 179 LEU N N 123.475 0.2 1 331 199 180 LEU H H 8.569 0.01 1 332 199 180 LEU N N 119.057 0.2 1 333 200 181 THR H H 8.791 0.01 1 334 200 181 THR N N 113.276 0.2 1 335 201 182 LEU H H 8.566 0.01 1 336 201 182 LEU N N 123.818 0.2 1 337 202 183 ALA H H 8.324 0.01 1 338 202 183 ALA N N 119.471 0.2 1 339 203 184 SER H H 7.629 0.01 1 340 203 184 SER N N 119.268 0.2 1 341 204 185 ARG H H 8.940 0.01 1 342 204 185 ARG N N 124.460 0.2 1 343 205 186 GLN H H 8.069 0.01 1 344 205 186 GLN N N 118.565 0.2 1 345 206 187 GLN H H 7.456 0.01 1 346 206 187 GLN N N 118.919 0.2 1 347 207 188 LEU H H 7.849 0.01 1 348 207 188 LEU N N 121.757 0.2 1 349 208 189 ILE H H 7.646 0.01 1 350 208 189 ILE N N 118.984 0.2 1 351 209 190 ASP H H 8.532 0.01 1 352 209 190 ASP N N 123.184 0.2 1 353 210 191 TRP H H 7.918 0.01 1 354 210 191 TRP N N 121.474 0.2 1 355 211 192 MET H H 7.604 0.01 1 356 211 192 MET N N 116.882 0.2 1 357 212 193 GLU H H 9.495 0.01 1 358 212 193 GLU N N 125.552 0.2 1 359 213 194 ALA H H 7.184 0.01 1 360 213 194 ALA N N 120.318 0.2 1 361 214 195 ASP H H 6.829 0.01 1 362 214 195 ASP N N 116.655 0.2 1 363 217 198 ALA H H 8.782 0.01 1 364 217 198 ALA N N 126.388 0.2 1 365 222 203 ARG H H 8.857 0.01 1 366 222 203 ARG N N 116.979 0.2 1 367 223 204 SER H H 6.895 0.01 1 368 223 204 SER N N 114.076 0.2 1 369 224 205 ALA H H 7.156 0.01 1 370 224 205 ALA N N 123.716 0.2 1 371 225 206 LEU H H 6.554 0.01 1 372 225 206 LEU N N 121.777 0.2 1 373 227 208 ALA H H 8.127 0.01 1 374 227 208 ALA N N 123.592 0.2 1 375 228 209 GLY H H 8.693 0.01 1 376 228 209 GLY N N 111.014 0.2 1 377 229 210 TRP H H 7.458 0.01 1 378 229 210 TRP N N 121.302 0.2 1 379 230 211 PHE H H 9.244 0.01 1 380 230 211 PHE N N 123.865 0.2 1 381 231 212 ILE H H 7.391 0.01 1 382 231 212 ILE N N 124.269 0.2 1 383 232 213 ALA H H 8.305 0.01 1 384 232 213 ALA N N 128.932 0.2 1 385 233 214 ASP H H 8.102 0.01 1 386 233 214 ASP N N 124.814 0.2 1 387 234 215 LYS H H 7.837 0.01 1 388 234 215 LYS N N 110.301 0.2 1 389 236 217 GLY H H 8.454 0.01 1 390 236 217 GLY N N 104.425 0.2 1 391 238 219 GLY H H 7.824 0.01 1 392 238 219 GLY N N 109.380 0.2 1 393 239 220 ARG H H 7.671 0.01 1 394 239 220 ARG N N 117.851 0.2 1 395 241 222 GLY H H 8.713 0.01 1 396 241 222 GLY N N 104.040 0.2 1 397 242 223 SER H H 7.351 0.01 1 398 242 223 SER N N 120.029 0.2 1 399 243 224 ARG H H 8.946 0.01 1 400 243 224 ARG N N 127.562 0.2 1 401 244 225 GLY H H 8.466 0.01 1 402 244 225 GLY N N 112.680 0.2 1 403 245 226 ILE H H 9.049 0.01 1 404 245 226 ILE N N 117.338 0.2 1 405 246 227 ILE H H 7.985 0.01 1 406 246 227 ILE N N 118.916 0.2 1 407 247 228 ALA H H 8.797 0.01 1 408 247 228 ALA N N 123.466 0.2 1 409 248 229 ALA H H 9.197 0.01 1 410 248 229 ALA N N 123.723 0.2 1 411 249 230 LEU H H 9.152 0.01 1 412 249 230 LEU N N 122.085 0.2 1 413 250 231 GLY H H 8.675 0.01 1 414 250 231 GLY N N 111.346 0.2 1 415 252 233 ASP H H 7.811 0.01 1 416 252 233 ASP N N 115.060 0.2 1 417 253 234 GLY H H 7.571 0.01 1 418 253 234 GLY N N 100.926 0.2 1 419 254 235 LYS H H 7.033 0.01 1 420 254 235 LYS N N 120.206 0.2 1 421 256 237 SER H H 8.405 0.01 1 422 256 237 SER N N 113.052 0.2 1 423 257 238 ARG H H 8.675 0.01 1 424 257 238 ARG N N 123.949 0.2 1 425 258 239 ILE H H 9.074 0.01 1 426 258 239 ILE N N 123.436 0.2 1 427 259 240 VAL H H 9.078 0.01 1 428 259 240 VAL N N 126.892 0.2 1 429 260 241 VAL H H 8.115 0.01 1 430 260 241 VAL N N 126.053 0.2 1 431 261 242 ILE H H 8.229 0.01 1 432 261 242 ILE N N 124.116 0.2 1 433 262 243 TYR H H 8.540 0.01 1 434 262 243 TYR N N 122.688 0.2 1 435 263 244 THR H H 8.896 0.01 1 436 263 244 THR N N 112.082 0.2 1 437 264 245 THR H H 8.381 0.01 1 438 264 245 THR N N 124.449 0.2 1 439 265 246 GLY H H 8.064 0.01 1 440 265 246 GLY N N 113.118 0.2 1 441 266 247 SER H H 9.091 0.01 1 442 266 247 SER N N 119.420 0.2 1 443 267 248 ARG H H 9.120 0.01 1 444 267 248 ARG N N 125.299 0.2 1 445 268 249 LYS H H 8.410 0.01 1 446 268 249 LYS N N 120.228 0.2 1 447 269 250 LYS H H 8.865 0.01 1 448 269 250 LYS N N 122.124 0.2 1 449 271 252 ASP H H 8.759 0.01 1 450 271 252 ASP N N 119.360 0.2 1 451 272 253 GLU H H 7.167 0.01 1 452 272 253 GLU N N 120.919 0.2 1 453 273 254 ARG H H 7.620 0.01 1 454 273 254 ARG N N 119.331 0.2 1 455 274 255 ASN H H 8.436 0.01 1 456 274 255 ASN N N 117.515 0.2 1 457 275 256 ARG H H 7.721 0.01 1 458 275 256 ARG N N 119.243 0.2 1 459 276 257 GLN H H 7.495 0.01 1 460 276 257 GLN N N 115.588 0.2 1 461 277 258 ILE H H 7.244 0.01 1 462 277 258 ILE N N 118.428 0.2 1 463 278 259 ALA H H 8.466 0.01 1 464 278 259 ALA N N 124.033 0.2 1 465 279 260 GLU H H 8.346 0.01 1 466 279 260 GLU N N 118.677 0.2 1 467 280 261 ILE H H 7.878 0.01 1 468 280 261 ILE N N 124.119 0.2 1 469 281 262 GLY H H 8.055 0.01 1 470 281 262 GLY N N 106.741 0.2 1 471 282 263 ALA H H 8.440 0.01 1 472 282 263 ALA N N 122.975 0.2 1 473 283 264 SER H H 7.400 0.01 1 474 283 264 SER N N 114.511 0.2 1 475 284 265 LEU H H 8.127 0.01 1 476 284 265 LEU N N 123.594 0.2 1 477 285 266 ILE H H 7.784 0.01 1 478 285 266 ILE N N 118.735 0.2 1 479 286 267 LYS H H 7.925 0.01 1 480 286 267 LYS N N 122.075 0.2 1 481 287 268 HIS H H 7.487 0.01 1 482 287 268 HIS N N 115.343 0.2 1 483 288 269 TRP H H 7.084 0.01 1 484 288 269 TRP N N 129.677 0.2 1 stop_ save_