data_15250 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Main chain NMR assignments of SBT70 ; _BMRB_accession_number 15250 _BMRB_flat_file_name bmr15250.str _Entry_type original _Submission_date 2007-05-16 _Accession_date 2007-05-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sari Nese . . 2 Bryan Philip . . 3 Orban John . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 193 "13C chemical shifts" 594 "15N chemical shifts" 193 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'correct entry citation' 2008-01-28 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15248 'Sbt70 in prodomain-bound state' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Main chain NMR assignments of subtilisin Sbt70 in its prodomain-bound state' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636867 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sari Nese . . 2 Fisher Kathryn E. . 3 Bryan Philip N. . 4 Orban John . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 209 _Page_last 211 _Year 2007 _Details . loop_ _Keyword 'backbone assignments' 'chemical shift' NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Subtilisin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Sbt70 $Sbt70 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_Sbt70 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Sbt70 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function protease stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 266 _Mol_residue_sequence ; AQSVPYGVSQIKAPALHSQG YTGSNVKVAVIDSGIDSSHP DLNVAGGASFVPSETNPFQD NNSHGTHVAGTVLAVAPSAS LYAVKVLGADGSGQYSWIIN GIEWAIANNMDVINMSLGGP SGSAALKAAVDKAVASGVVV VAAAGNEGTSGSSSTVGYPG KYPSVIAVGAVDSSNQRASF SSVGPELDVMAPGVSIVSTL PGNKYGAKSGTAMASPHVAG AAALILSKHPNWTNTQVRSS LENTTTKLGDSFYYGKGLIN VEAAAQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 GLN 3 3 SER 4 4 VAL 5 5 PRO 6 6 TYR 7 7 GLY 8 8 VAL 9 9 SER 10 10 GLN 11 11 ILE 12 12 LYS 13 13 ALA 14 14 PRO 15 15 ALA 16 16 LEU 17 17 HIS 18 18 SER 19 19 GLN 20 20 GLY 21 21 TYR 22 22 THR 23 23 GLY 24 24 SER 25 25 ASN 26 26 VAL 27 27 LYS 28 28 VAL 29 29 ALA 30 30 VAL 31 31 ILE 32 32 ASP 33 33 SER 34 34 GLY 35 35 ILE 36 36 ASP 37 37 SER 38 38 SER 39 39 HIS 40 40 PRO 41 41 ASP 42 42 LEU 43 43 ASN 44 44 VAL 45 45 ALA 46 46 GLY 47 47 GLY 48 48 ALA 49 49 SER 50 50 PHE 51 51 VAL 52 52 PRO 53 53 SER 54 54 GLU 55 55 THR 56 56 ASN 57 57 PRO 58 58 PHE 59 59 GLN 60 60 ASP 61 61 ASN 62 62 ASN 63 63 SER 64 64 HIS 65 65 GLY 66 66 THR 67 67 HIS 68 68 VAL 69 69 ALA 70 70 GLY 71 71 THR 72 72 VAL 73 73 LEU 74 74 ALA 75 84 VAL 76 85 ALA 77 86 PRO 78 87 SER 79 88 ALA 80 89 SER 81 90 LEU 82 91 TYR 83 92 ALA 84 93 VAL 85 94 LYS 86 95 VAL 87 96 LEU 88 97 GLY 89 98 ALA 90 99 ASP 91 100 GLY 92 101 SER 93 102 GLY 94 103 GLN 95 104 TYR 96 105 SER 97 106 TRP 98 107 ILE 99 108 ILE 100 109 ASN 101 110 GLY 102 111 ILE 103 112 GLU 104 113 TRP 105 114 ALA 106 115 ILE 107 116 ALA 108 117 ASN 109 118 ASN 110 119 MET 111 120 ASP 112 121 VAL 113 122 ILE 114 123 ASN 115 124 MET 116 125 SER 117 126 LEU 118 127 GLY 119 128 GLY 120 129 PRO 121 130 SER 122 131 GLY 123 132 SER 124 133 ALA 125 134 ALA 126 135 LEU 127 136 LYS 128 137 ALA 129 138 ALA 130 139 VAL 131 140 ASP 132 141 LYS 133 142 ALA 134 143 VAL 135 144 ALA 136 145 SER 137 146 GLY 138 147 VAL 139 148 VAL 140 149 VAL 141 150 VAL 142 151 ALA 143 152 ALA 144 153 ALA 145 154 GLY 146 155 ASN 147 156 GLU 148 157 GLY 149 158 THR 150 159 SER 151 160 GLY 152 161 SER 153 162 SER 154 163 SER 155 164 THR 156 165 VAL 157 166 GLY 158 167 TYR 159 168 PRO 160 169 GLY 161 170 LYS 162 171 TYR 163 172 PRO 164 173 SER 165 174 VAL 166 175 ILE 167 176 ALA 168 177 VAL 169 178 GLY 170 179 ALA 171 180 VAL 172 181 ASP 173 182 SER 174 183 SER 175 184 ASN 176 185 GLN 177 186 ARG 178 187 ALA 179 188 SER 180 189 PHE 181 190 SER 182 191 SER 183 192 VAL 184 193 GLY 185 194 PRO 186 195 GLU 187 196 LEU 188 197 ASP 189 198 VAL 190 199 MET 191 200 ALA 192 201 PRO 193 202 GLY 194 203 VAL 195 204 SER 196 205 ILE 197 206 VAL 198 207 SER 199 208 THR 200 209 LEU 201 210 PRO 202 211 GLY 203 212 ASN 204 213 LYS 205 214 TYR 206 215 GLY 207 216 ALA 208 217 LYS 209 218 SER 210 219 GLY 211 220 THR 212 221 ALA 213 222 MET 214 223 ALA 215 224 SER 216 225 PRO 217 226 HIS 218 227 VAL 219 228 ALA 220 229 GLY 221 230 ALA 222 231 ALA 223 232 ALA 224 233 LEU 225 234 ILE 226 235 LEU 227 236 SER 228 237 LYS 229 238 HIS 230 239 PRO 231 240 ASN 232 241 TRP 233 242 THR 234 243 ASN 235 244 THR 236 245 GLN 237 246 VAL 238 247 ARG 239 248 SER 240 249 SER 241 250 LEU 242 251 GLU 243 252 ASN 244 253 THR 245 254 THR 246 255 THR 247 256 LYS 248 257 LEU 249 258 GLY 250 259 ASP 251 260 SER 252 261 PHE 253 262 TYR 254 263 TYR 255 264 GLY 256 265 LYS 257 266 GLY 258 267 LEU 259 268 ILE 260 269 ASN 261 270 VAL 262 271 GLU 263 272 ALA 264 273 ALA 265 274 ALA 266 275 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 BMRB 15248 Sbt70-proR9 100.00 266 100.00 100.00 0.00e+00 PDB 1DUI "Subtilisin Bpn' From Bacillus Amyloliquefaciens, Crystal Growth Mutant" 100.00 266 97.37 98.87 1.92e-171 PDB 1GNS "Subtilisin Bpn'" 98.50 263 98.47 98.47 7.00e-179 PDB 1GNV "Calcium Independent Subtilisin Bpn' Mutant" 100.00 266 98.12 98.50 0.00e+00 PDB 1SPB "Subtilisin Bpn' Prosegment (77 Residues) Complexed With A Mutant Subtilisin Bpn' (266 Residues). Crystal Ph 4.6. Crystallizatio" 100.00 266 99.25 100.00 0.00e+00 PDB 1SUA "Subtilisin Bpn'" 100.00 266 100.00 100.00 0.00e+00 PDB 1SUE "Subtilisin Bpn' From Bacillus Amyloliquefaciens, Mutant" 100.00 266 98.12 98.87 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Sbt70 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Sbt70 'recombinant technology' . Escherichia coli . pj12 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 $Sbt70 0.7 mM '[U-95% 13C; U-95% 15N]' KPi 0.1 M 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'equipped with a cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 7.2 . pH pressure 1 . atm temperature 318 . 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 HNCO' '3D CBCA(CO)NH' '3D HNCACB' 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 Sbt70 _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 6 6 TYR C C 177.807 0.5 1 2 6 6 TYR CA C 61.314 0.5 1 3 6 6 TYR CB C 37.496 0.5 1 4 7 7 GLY H H 8.722 0.05 1 5 7 7 GLY C C 174.931 0.5 1 6 7 7 GLY CA C 46.728 0.5 1 7 7 7 GLY N N 110.074 0.5 1 8 8 8 VAL H H 7.084 0.05 1 9 8 8 VAL C C 178.021 0.5 1 10 8 8 VAL CA C 66.826 0.5 1 11 8 8 VAL CB C 32.064 0.5 1 12 8 8 VAL N N 119.468 0.5 1 13 9 9 SER H H 7.304 0.05 1 14 9 9 SER C C 178.704 0.5 1 15 9 9 SER CA C 61.518 0.5 1 16 9 9 SER CB C 62.663 0.5 1 17 9 9 SER N N 113.504 0.5 1 18 10 10 GLN H H 8.637 0.05 1 19 10 10 GLN C C 178.328 0.5 1 20 10 10 GLN CA C 59.681 0.5 1 21 10 10 GLN CB C 29.503 0.5 1 22 10 10 GLN N N 125.35 0.5 1 23 11 11 ILE H H 7.02 0.05 1 24 11 11 ILE C C 173.87 0.5 1 25 11 11 ILE CA C 61.766 0.5 1 26 11 11 ILE CB C 37.945 0.5 1 27 11 11 ILE N N 106.797 0.5 1 28 12 12 LYS H H 7.84 0.05 1 29 12 12 LYS C C 174.615 0.5 1 30 12 12 LYS CA C 58.004 0.5 1 31 12 12 LYS CB C 28.464 0.5 1 32 12 12 LYS N N 113.361 0.5 1 33 13 13 ALA H H 7.255 0.05 1 34 13 13 ALA CA C 55.595 0.5 1 35 13 13 ALA CB C 17.693 0.5 1 36 13 13 ALA N N 118.001 0.5 1 37 14 14 PRO C C 177.227 0.5 1 38 14 14 PRO CA C 66.005 0.5 1 39 14 14 PRO CB C 30.59 0.5 1 40 15 15 ALA H H 7.32 0.05 1 41 15 15 ALA C C 180.442 0.5 1 42 15 15 ALA CA C 54.893 0.5 1 43 15 15 ALA CB C 18.143 0.5 1 44 15 15 ALA N N 118.83 0.5 1 45 16 16 LEU H H 7.269 0.05 1 46 16 16 LEU C C 179.603 0.5 1 47 16 16 LEU CA C 56.392 0.5 1 48 16 16 LEU CB C 40.022 0.5 1 49 16 16 LEU N N 119.362 0.5 1 50 17 17 HIS H H 7.628 0.05 1 51 17 17 HIS C C 180.938 0.5 1 52 17 17 HIS CA C 57.745 0.5 1 53 17 17 HIS CB C 31.084 0.5 1 54 17 17 HIS N N 120.715 0.5 1 55 18 18 SER H H 8.41 0.05 1 56 18 18 SER C C 175.41 0.5 1 57 18 18 SER CA C 61.495 0.5 1 58 18 18 SER CB C 63.12 0.5 1 59 18 18 SER N N 114.198 0.5 1 60 19 19 GLN H H 7.219 0.05 1 61 19 19 GLN C C 175.257 0.5 1 62 19 19 GLN CA C 55.973 0.5 1 63 19 19 GLN CB C 30.413 0.5 1 64 19 19 GLN N N 118.871 0.5 1 65 20 20 GLY H H 7.619 0.05 1 66 20 20 GLY C C 173.488 0.5 1 67 20 20 GLY CA C 44.552 0.5 1 68 20 20 GLY N N 104.646 0.5 1 69 21 21 TYR H H 7.758 0.05 1 70 21 21 TYR C C 174.329 0.5 1 71 21 21 TYR CA C 57.749 0.5 1 72 21 21 TYR CB C 37.883 0.5 1 73 21 21 TYR N N 121.823 0.5 1 74 22 22 THR H H 8.849 0.05 1 75 22 22 THR C C 175.342 0.5 1 76 22 22 THR CA C 60.361 0.5 1 77 22 22 THR CB C 69.993 0.5 1 78 22 22 THR N N 108.365 0.5 1 79 23 23 GLY H H 8.064 0.05 1 80 23 23 GLY C C 171.892 0.5 1 81 23 23 GLY CA C 45.145 0.5 1 82 23 23 GLY N N 109.723 0.5 1 83 24 24 SER H H 7.657 0.05 1 84 24 24 SER C C 174.458 0.5 1 85 24 24 SER CA C 60.16 0.5 1 86 24 24 SER CB C 63.121 0.5 1 87 24 24 SER N N 113.459 0.5 1 88 25 25 ASN H H 8.635 0.05 1 89 25 25 ASN C C 173.872 0.5 1 90 25 25 ASN CA C 55.012 0.5 1 91 25 25 ASN CB C 37.688 0.5 1 92 25 25 ASN N N 116.822 0.5 1 93 26 26 VAL H H 7.7 0.05 1 94 26 26 VAL C C 175.013 0.5 1 95 26 26 VAL CA C 63.088 0.5 1 96 26 26 VAL CB C 32.347 0.5 1 97 26 26 VAL N N 121.224 0.5 1 98 27 27 LYS H H 9.964 0.05 1 99 27 27 LYS C C 176.202 0.5 1 100 27 27 LYS CA C 56.539 0.5 1 101 27 27 LYS CB C 33.832 0.5 1 102 27 27 LYS N N 129.017 0.5 1 103 28 28 VAL H H 9.341 0.05 1 104 28 28 VAL C C 174.539 0.5 1 105 28 28 VAL CA C 60.384 0.5 1 106 28 28 VAL CB C 33.689 0.5 1 107 28 28 VAL N N 125.284 0.5 1 108 29 29 ALA H H 9.089 0.05 1 109 29 29 ALA C C 175.639 0.5 1 110 29 29 ALA CA C 50.529 0.5 1 111 29 29 ALA CB C 19.374 0.5 1 112 29 29 ALA N N 128.191 0.5 1 113 30 30 VAL H H 9.043 0.05 1 114 30 30 VAL CA C 63.113 0.5 1 115 30 30 VAL CB C 31.258 0.5 1 116 30 30 VAL N N 126.83 0.5 1 117 31 31 ILE C C 174.959 0.5 1 118 31 31 ILE CA C 62.367 0.5 1 119 31 31 ILE CB C 35.461 0.5 1 120 32 32 ASP H H 8.832 0.05 1 121 32 32 ASP C C 176.385 0.5 1 122 32 32 ASP CA C 55.827 0.5 1 123 32 32 ASP CB C 45.495 0.5 1 124 32 32 ASP N N 131.862 0.5 1 125 33 33 SER H H 7.881 0.05 1 126 33 33 SER C C 172.909 0.5 1 127 33 33 SER CA C 60.034 0.5 1 128 33 33 SER CB C 64.679 0.5 1 129 33 33 SER N N 123.218 0.5 1 130 34 34 GLY H H 7.355 0.05 1 131 34 34 GLY C C 171.537 0.5 1 132 34 34 GLY CA C 43.92 0.5 1 133 34 34 GLY N N 108.667 0.5 1 134 35 35 ILE H H 7.272 0.05 1 135 35 35 ILE C C 173.9 0.5 1 136 35 35 ILE CA C 60.973 0.5 1 137 35 35 ILE CB C 43.293 0.5 1 138 35 35 ILE N N 111.649 0.5 1 139 36 36 ASP H H 8.126 0.05 1 140 36 36 ASP C C 175.698 0.5 1 141 36 36 ASP CA C 53.432 0.5 1 142 36 36 ASP CB C 40.064 0.5 1 143 36 36 ASP N N 123.22 0.5 1 144 37 37 SER H H 7.785 0.05 1 145 37 37 SER C C 174.152 0.5 1 146 37 37 SER CA C 59.477 0.5 1 147 37 37 SER CB C 63.404 0.5 1 148 37 37 SER N N 122.475 0.5 1 149 38 38 SER H H 8.363 0.05 1 150 38 38 SER C C 174.585 0.5 1 151 38 38 SER CA C 59.438 0.5 1 152 38 38 SER CB C 63.995 0.5 1 153 38 38 SER N N 117.749 0.5 1 154 39 39 HIS H H 7.379 0.05 1 155 39 39 HIS CA C 56.547 0.5 1 156 39 39 HIS CB C 31.627 0.5 1 157 39 39 HIS N N 128.489 0.5 1 158 40 40 PRO C C 178.027 0.5 1 159 40 40 PRO CA C 64.582 0.5 1 160 40 40 PRO CB C 32.268 0.5 1 161 41 41 ASP H H 10.13 0.05 1 162 41 41 ASP C C 175.889 0.5 1 163 41 41 ASP CA C 54.258 0.5 1 164 41 41 ASP CB C 40.805 0.5 1 165 41 41 ASP N N 118.089 0.5 1 166 42 42 LEU H H 7.595 0.05 1 167 42 42 LEU C C 174.385 0.5 1 168 42 42 LEU CA C 53.545 0.5 1 169 42 42 LEU CB C 44.765 0.5 1 170 42 42 LEU N N 118.035 0.5 1 171 43 43 ASN H H 6.188 0.05 1 172 43 43 ASN C C 174.044 0.5 1 173 43 43 ASN CA C 52.308 0.5 1 174 43 43 ASN CB C 40.061 0.5 1 175 43 43 ASN N N 117.962 0.5 1 176 44 44 VAL H H 8.379 0.05 1 177 44 44 VAL C C 174.765 0.5 1 178 44 44 VAL CA C 61.556 0.5 1 179 44 44 VAL CB C 33.222 0.5 1 180 44 44 VAL N N 123.712 0.5 1 181 45 45 ALA H H 8.89 0.05 1 182 45 45 ALA C C 177.156 0.5 1 183 45 45 ALA CA C 52.915 0.5 1 184 45 45 ALA CB C 19.228 0.5 1 185 45 45 ALA N N 129.905 0.5 1 186 46 46 GLY H H 6.984 0.05 1 187 46 46 GLY C C 172.015 0.5 1 188 46 46 GLY CA C 45.278 0.5 1 189 46 46 GLY N N 102.581 0.5 1 190 47 47 GLY H H 9.023 0.05 1 191 47 47 GLY C C 170.011 0.5 1 192 47 47 GLY CA C 46.509 0.5 1 193 47 47 GLY N N 107.691 0.5 1 194 48 48 ALA H H 7.999 0.05 1 195 48 48 ALA C C 174.938 0.5 1 196 48 48 ALA CA C 51.791 0.5 1 197 48 48 ALA CB C 21.544 0.5 1 198 48 48 ALA N N 118.075 0.5 1 199 49 49 SER H H 8.326 0.05 1 200 49 49 SER CA C 54.725 0.5 1 201 49 49 SER CB C 64.694 0.5 1 202 49 49 SER N N 112.671 0.5 1 203 50 50 PHE C C 174.813 0.5 1 204 55 55 THR C C 173.541 0.5 1 205 57 57 PRO C C 173.439 0.5 1 206 57 57 PRO CA C 64.081 0.5 1 207 57 57 PRO CB C 31.27 0.5 1 208 58 58 PHE H H 7.36 0.05 1 209 58 58 PHE C C 174.61 0.5 1 210 58 58 PHE CA C 55.004 0.5 1 211 58 58 PHE CB C 37.033 0.5 1 212 58 58 PHE N N 116.824 0.5 1 213 59 59 GLN H H 6.85 0.05 1 214 59 59 GLN C C 173.865 0.5 1 215 59 59 GLN CA C 54.018 0.5 1 216 59 59 GLN CB C 30.777 0.5 1 217 59 59 GLN N N 118.794 0.5 1 218 60 60 ASP H H 8.881 0.05 1 219 60 60 ASP C C 175.359 0.5 1 220 60 60 ASP CA C 51.435 0.5 1 221 60 60 ASP CB C 41.169 0.5 1 222 60 60 ASP N N 125.787 0.5 1 223 61 61 ASN H H 8.674 0.05 1 224 61 61 ASN N N 121.351 0.5 1 225 66 66 THR C C 175.118 0.5 1 226 68 68 VAL H H 8.08 0.05 1 227 68 68 VAL C C 178.767 0.5 1 228 68 68 VAL CA C 65.971 0.5 1 229 68 68 VAL CB C 32.293 0.5 1 230 68 68 VAL N N 117.253 0.5 1 231 69 69 ALA H H 8.546 0.05 1 232 69 69 ALA C C 179.179 0.5 1 233 69 69 ALA CA C 55.568 0.5 1 234 69 69 ALA CB C 19.831 0.5 1 235 69 69 ALA N N 120.68 0.5 1 236 70 70 GLY H H 7.686 0.05 1 237 70 70 GLY C C 177.1 0.5 1 238 70 70 GLY CA C 47.411 0.5 1 239 70 70 GLY N N 102.553 0.5 1 240 71 71 THR H H 7.396 0.05 1 241 71 71 THR C C 175.544 0.5 1 242 71 71 THR CA C 66.438 0.5 1 243 71 71 THR CB C 67.488 0.5 1 244 71 71 THR N N 120.578 0.5 1 245 72 72 VAL H H 7.454 0.05 1 246 72 72 VAL C C 177.963 0.5 1 247 72 72 VAL CA C 67.565 0.5 1 248 72 72 VAL CB C 30.78 0.5 1 249 72 72 VAL N N 120.188 0.5 1 250 73 73 LEU H H 7.332 0.05 1 251 73 73 LEU C C 178.118 0.5 1 252 73 73 LEU CA C 55.783 0.5 1 253 73 73 LEU CB C 41.912 0.5 1 254 73 73 LEU N N 115.398 0.5 1 255 74 74 ALA H H 7.647 0.05 1 256 74 74 ALA C C 178.838 0.5 1 257 74 74 ALA CA C 54.412 0.5 1 258 74 74 ALA CB C 17.494 0.5 1 259 74 74 ALA N N 121.956 0.5 1 260 84 75 VAL H H 7.094 0.05 1 261 84 75 VAL C C 175.061 0.5 1 262 84 75 VAL CA C 65.811 0.5 1 263 84 75 VAL CB C 33.202 0.5 1 264 84 75 VAL N N 114.078 0.5 1 265 85 76 ALA H H 8.827 0.05 1 266 85 76 ALA CA C 49.379 0.5 1 267 85 76 ALA CB C 19.124 0.5 1 268 85 76 ALA N N 123.318 0.5 1 269 86 77 PRO C C 178.571 0.5 1 270 86 77 PRO CA C 65.322 0.5 1 271 86 77 PRO CB C 32.642 0.5 1 272 87 78 SER H H 8.166 0.05 1 273 87 78 SER C C 173.552 0.5 1 274 87 78 SER CA C 56.808 0.5 1 275 87 78 SER CB C 62.754 0.5 1 276 87 78 SER N N 110.236 0.5 1 277 88 79 ALA H H 7.632 0.05 1 278 88 79 ALA C C 176.549 0.5 1 279 88 79 ALA CA C 52.807 0.5 1 280 88 79 ALA CB C 17.887 0.5 1 281 88 79 ALA N N 124.474 0.5 1 282 89 80 SER H H 8.689 0.05 1 283 89 80 SER C C 172.588 0.5 1 284 89 80 SER CA C 57.786 0.5 1 285 89 80 SER CB C 64.457 0.5 1 286 89 80 SER N N 116.414 0.5 1 287 90 81 LEU H H 8.465 0.05 1 288 90 81 LEU C C 176.033 0.5 1 289 90 81 LEU CA C 53.927 0.5 1 290 90 81 LEU CB C 45.006 0.5 1 291 90 81 LEU N N 125.111 0.5 1 292 91 82 TYR H H 8.957 0.05 1 293 91 82 TYR C C 174.981 0.5 1 294 91 82 TYR CA C 56.494 0.5 1 295 91 82 TYR CB C 40.661 0.5 1 296 91 82 TYR N N 119.875 0.5 1 297 92 83 ALA H H 8.684 0.05 1 298 92 83 ALA C C 173.325 0.5 1 299 92 83 ALA CA C 51.133 0.5 1 300 92 83 ALA CB C 20.106 0.5 1 301 92 83 ALA N N 127.148 0.5 1 302 93 84 VAL H H 7.637 0.05 1 303 93 84 VAL C C 175.018 0.5 1 304 93 84 VAL CA C 60.668 0.5 1 305 93 84 VAL CB C 31.418 0.5 1 306 93 84 VAL N N 125.514 0.5 1 307 94 85 LYS H H 8.67 0.05 1 308 94 85 LYS C C 174.869 0.5 1 309 94 85 LYS CA C 56.344 0.5 1 310 94 85 LYS CB C 33.649 0.5 1 311 94 85 LYS N N 129.391 0.5 1 312 95 86 VAL H H 8.945 0.05 1 313 95 86 VAL C C 171.17 0.5 1 314 95 86 VAL CA C 60.612 0.5 1 315 95 86 VAL CB C 33.496 0.5 1 316 95 86 VAL N N 118.856 0.5 1 317 96 87 LEU H H 6.793 0.05 1 318 96 87 LEU C C 176.801 0.5 1 319 96 87 LEU CA C 51.614 0.5 1 320 96 87 LEU CB C 44.512 0.5 1 321 96 87 LEU N N 116.231 0.5 1 322 97 88 GLY H H 8.326 0.05 1 323 97 88 GLY C C 175.299 0.5 1 324 97 88 GLY CA C 43.58 0.5 1 325 97 88 GLY N N 105.68 0.5 1 326 98 89 ALA H H 9.601 0.05 1 327 98 89 ALA C C 179.069 0.5 1 328 98 89 ALA CA C 55.525 0.5 1 329 98 89 ALA CB C 19.175 0.5 1 330 98 89 ALA N N 123.65 0.5 1 331 99 90 ASP H H 8.369 0.05 1 332 99 90 ASP C C 177.666 0.5 1 333 99 90 ASP CA C 53.796 0.5 1 334 99 90 ASP CB C 39.934 0.5 1 335 99 90 ASP N N 114.791 0.5 1 336 100 91 GLY H H 8.787 0.05 1 337 100 91 GLY CA C 45.604 0.5 1 338 100 91 GLY N N 108.611 0.5 1 339 108 99 ILE C C 177.321 0.5 1 340 108 99 ILE CA C 66.386 0.5 1 341 108 99 ILE CB C 40.561 0.5 1 342 109 100 ASN H H 7.658 0.05 1 343 109 100 ASN C C 178.04 0.5 1 344 109 100 ASN CA C 55.745 0.5 1 345 109 100 ASN CB C 37.542 0.5 1 346 109 100 ASN N N 118.127 0.5 1 347 110 101 GLY H H 7.812 0.05 1 348 110 101 GLY C C 174.527 0.5 1 349 110 101 GLY CA C 47.985 0.5 1 350 110 101 GLY N N 108.901 0.5 1 351 111 102 ILE H H 8.44 0.05 1 352 111 102 ILE C C 177.982 0.5 1 353 111 102 ILE CA C 66.596 0.5 1 354 111 102 ILE CB C 37.989 0.5 1 355 111 102 ILE N N 123.912 0.5 1 356 112 103 GLU H H 8.564 0.05 1 357 112 103 GLU C C 180.057 0.5 1 358 112 103 GLU CA C 60.016 0.5 1 359 112 103 GLU CB C 28.74 0.5 1 360 112 103 GLU N N 118.317 0.5 1 361 113 104 TRP H H 8.157 0.05 1 362 113 104 TRP C C 179.017 0.5 1 363 113 104 TRP CA C 62.386 0.5 1 364 113 104 TRP CB C 29.734 0.5 1 365 113 104 TRP N N 121.908 0.5 1 366 114 105 ALA H H 8.278 0.05 1 367 114 105 ALA C C 169.47 0.5 1 368 114 105 ALA CA C 55.16 0.5 1 369 114 105 ALA CB C 17.984 0.5 1 370 114 105 ALA N N 122.626 0.5 1 371 115 106 ILE H H 8.086 0.05 1 372 115 106 ILE C C 179.582 0.5 1 373 115 106 ILE CA C 65.453 0.5 1 374 115 106 ILE CB C 39.007 0.5 1 375 115 106 ILE N N 117.256 0.5 1 376 116 107 ALA H H 7.938 0.05 1 377 116 107 ALA C C 177.986 0.5 1 378 116 107 ALA CA C 54.362 0.5 1 379 116 107 ALA CB C 17.814 0.5 1 380 116 107 ALA N N 121.796 0.5 1 381 117 108 ASN H H 7.112 0.05 1 382 117 108 ASN C C 172.432 0.5 1 383 117 108 ASN CA C 53.131 0.5 1 384 117 108 ASN CB C 37.993 0.5 1 385 117 108 ASN N N 112.535 0.5 1 386 118 109 ASN H H 7.577 0.05 1 387 118 109 ASN C C 174.502 0.5 1 388 118 109 ASN CA C 54.34 0.5 1 389 118 109 ASN CB C 36.56 0.5 1 390 118 109 ASN N N 113.483 0.5 1 391 119 110 MET H H 7.409 0.05 1 392 119 110 MET C C 174.612 0.5 1 393 119 110 MET CA C 54.446 0.5 1 394 119 110 MET CB C 33.856 0.5 1 395 119 110 MET N N 113.384 0.5 1 396 120 111 ASP H H 8.407 0.05 1 397 120 111 ASP C C 177.423 0.5 1 398 120 111 ASP CA C 56.843 0.5 1 399 120 111 ASP CB C 44.412 0.5 1 400 120 111 ASP N N 118.27 0.5 1 401 121 112 VAL H H 8.065 0.05 1 402 121 112 VAL C C 174.467 0.5 1 403 121 112 VAL CA C 59.929 0.5 1 404 121 112 VAL CB C 37.221 0.5 1 405 121 112 VAL N N 118.512 0.5 1 406 122 113 ILE H H 9.244 0.05 1 407 122 113 ILE C C 172.849 0.5 1 408 122 113 ILE CA C 60.24 0.5 1 409 122 113 ILE CB C 42.535 0.5 1 410 122 113 ILE N N 124.847 0.5 1 411 123 114 ASN H H 8.834 0.05 1 412 123 114 ASN C C 174.311 0.5 1 413 123 114 ASN CA C 53.033 0.5 1 414 123 114 ASN CB C 43.405 0.5 1 415 123 114 ASN N N 124.616 0.5 1 416 124 115 MET H H 9.408 0.05 1 417 124 115 MET CA C 54.593 0.5 1 418 124 115 MET CB C 34.618 0.5 1 419 124 115 MET N N 126.877 0.5 1 420 136 127 LYS C C 177.508 0.5 1 421 136 127 LYS CA C 59.413 0.5 1 422 136 127 LYS CB C 32.196 0.5 1 423 137 128 ALA H H 7.923 0.05 1 424 137 128 ALA C C 180.387 0.5 1 425 137 128 ALA CA C 54.708 0.5 1 426 137 128 ALA CB C 17.756 0.5 1 427 137 128 ALA N N 117.347 0.5 1 428 138 129 ALA H H 7.353 0.05 1 429 138 129 ALA CA C 55.365 0.5 1 430 138 129 ALA CB C 18.718 0.5 1 431 138 129 ALA N N 119.89 0.5 1 432 139 130 VAL C C 177.61 0.5 1 433 139 130 VAL CA C 66.21 0.5 1 434 139 130 VAL CB C 31.122 0.5 1 435 140 131 ASP H H 8.581 0.05 1 436 140 131 ASP C C 179.897 0.5 1 437 140 131 ASP CA C 57.574 0.5 1 438 140 131 ASP CB C 39.106 0.5 1 439 140 131 ASP N N 121.919 0.5 1 440 141 132 LYS H H 8.154 0.05 1 441 141 132 LYS C C 179.475 0.5 1 442 141 132 LYS CA C 59.343 0.5 1 443 141 132 LYS CB C 32.086 0.5 1 444 141 132 LYS N N 122.626 0.5 1 445 142 133 ALA H H 8.013 0.05 1 446 142 133 ALA C C 179.25 0.5 1 447 142 133 ALA CA C 55.598 0.5 1 448 142 133 ALA CB C 16.226 0.5 1 449 142 133 ALA N N 124.336 0.5 1 450 143 134 VAL H H 7.989 0.05 1 451 143 134 VAL C C 181.099 0.5 1 452 143 134 VAL CA C 66.214 0.5 1 453 143 134 VAL CB C 31.675 0.5 1 454 143 134 VAL N N 119.698 0.5 1 455 144 135 ALA H H 8.553 0.05 1 456 144 135 ALA C C 179.384 0.5 1 457 144 135 ALA CA C 54.896 0.5 1 458 144 135 ALA CB C 17.807 0.5 1 459 144 135 ALA N N 125.717 0.5 1 460 145 136 SER H H 7.708 0.05 1 461 145 136 SER C C 173.85 0.5 1 462 145 136 SER CA C 59.051 0.5 1 463 145 136 SER CB C 63.706 0.5 1 464 145 136 SER N N 112.345 0.5 1 465 146 137 GLY H H 7.668 0.05 1 466 146 137 GLY C C 174.396 0.5 1 467 146 137 GLY CA C 44.85 0.5 1 468 146 137 GLY N N 106.277 0.5 1 469 147 138 VAL H H 7.927 0.05 1 470 147 138 VAL C C 176.83 0.5 1 471 147 138 VAL CA C 62.614 0.5 1 472 147 138 VAL CB C 32.978 0.5 1 473 147 138 VAL N N 122.591 0.5 1 474 148 139 VAL H H 8.066 0.05 1 475 148 139 VAL C C 174.652 0.5 1 476 148 139 VAL CA C 62.736 0.5 1 477 148 139 VAL CB C 32.559 0.5 1 478 148 139 VAL N N 126.667 0.5 1 479 149 140 VAL H H 8.192 0.05 1 480 149 140 VAL C C 174.046 0.5 1 481 149 140 VAL CA C 62.746 0.5 1 482 149 140 VAL CB C 31.824 0.5 1 483 149 140 VAL N N 128.705 0.5 1 484 150 141 VAL H H 8.676 0.05 1 485 150 141 VAL C C 173.337 0.5 1 486 150 141 VAL CA C 61.101 0.5 1 487 150 141 VAL CB C 34.702 0.5 1 488 150 141 VAL N N 130.739 0.5 1 489 151 142 ALA H H 9.471 0.05 1 490 151 142 ALA CA C 50.176 0.5 1 491 151 142 ALA CB C 24.145 0.5 1 492 151 142 ALA N N 127.769 0.5 1 493 155 146 ASN C C 177.577 0.5 1 494 155 146 ASN CA C 50.911 0.5 1 495 155 146 ASN CB C 38.375 0.5 1 496 156 147 GLU H H 7.642 0.05 1 497 156 147 GLU C C 177.005 0.5 1 498 156 147 GLU CA C 55.716 0.5 1 499 156 147 GLU CB C 30.281 0.5 1 500 156 147 GLU N N 116.511 0.5 1 501 157 148 GLY H H 7.663 0.05 1 502 157 148 GLY C C 171.987 0.5 1 503 157 148 GLY CA C 45.949 0.5 1 504 157 148 GLY N N 106.998 0.5 1 505 158 149 THR H H 7.956 0.05 1 506 158 149 THR C C 175.009 0.5 1 507 158 149 THR CA C 59.983 0.5 1 508 158 149 THR CB C 71.045 0.5 1 509 158 149 THR N N 110.597 0.5 1 510 159 150 SER H H 9.892 0.05 1 511 159 150 SER C C 172.334 0.5 1 512 159 150 SER CA C 56.418 0.5 1 513 159 150 SER CB C 63.035 0.5 1 514 159 150 SER N N 119.031 0.5 1 515 160 151 GLY H H 8.848 0.05 1 516 160 151 GLY CA C 47.073 0.5 1 517 160 151 GLY N N 114.654 0.5 1 518 163 154 SER C C 177.379 0.5 1 519 163 154 SER CA C 57.43 0.5 1 520 163 154 SER CB C 63.373 0.5 1 521 164 155 THR H H 9.61 0.05 1 522 164 155 THR C C 176.334 0.5 1 523 164 155 THR CA C 59.923 0.5 1 524 164 155 THR CB C 69.343 0.5 1 525 164 155 THR N N 118.808 0.5 1 526 165 156 VAL H H 7.458 0.05 1 527 165 156 VAL C C 175.857 0.5 1 528 165 156 VAL CA C 63.666 0.5 1 529 165 156 VAL CB C 31.579 0.5 1 530 165 156 VAL N N 127.426 0.5 1 531 166 157 GLY H H 8.641 0.05 1 532 166 157 GLY C C 171.879 0.5 1 533 166 157 GLY CA C 45.995 0.5 1 534 166 157 GLY N N 104.439 0.5 1 535 167 158 TYR H H 7.394 0.05 1 536 167 158 TYR CA C 61.986 0.5 1 537 167 158 TYR CB C 34.054 0.5 1 538 167 158 TYR N N 119.099 0.5 1 539 172 163 PRO C C 178.256 0.5 1 540 172 163 PRO CA C 64.633 0.5 1 541 172 163 PRO CB C 31.523 0.5 1 542 173 164 SER H H 7.893 0.05 1 543 173 164 SER C C 172.746 0.5 1 544 173 164 SER CA C 58.901 0.5 1 545 173 164 SER CB C 62.763 0.5 1 546 173 164 SER N N 111.354 0.5 1 547 174 165 VAL H H 7.58 0.05 1 548 174 165 VAL C C 174.476 0.5 1 549 174 165 VAL CA C 61.687 0.5 1 550 174 165 VAL CB C 33.81 0.5 1 551 174 165 VAL N N 123.663 0.5 1 552 175 166 ILE H H 7.751 0.05 1 553 175 166 ILE C C 173.514 0.5 1 554 175 166 ILE CA C 61.545 0.5 1 555 175 166 ILE CB C 38.562 0.5 1 556 175 166 ILE N N 124.752 0.5 1 557 176 167 ALA H H 11.194 0.05 1 558 176 167 ALA C C 178.637 0.5 1 559 176 167 ALA CA C 50.798 0.5 1 560 176 167 ALA CB C 19.075 0.5 1 561 176 167 ALA N N 131.783 0.5 1 562 177 168 VAL H H 8.558 0.05 1 563 177 168 VAL C C 176.699 0.5 1 564 177 168 VAL CA C 61.46 0.5 1 565 177 168 VAL CB C 33.908 0.5 1 566 177 168 VAL N N 122.47 0.5 1 567 178 169 GLY H H 9.089 0.05 1 568 178 169 GLY C C 171.692 0.5 1 569 178 169 GLY CA C 44.076 0.5 1 570 178 169 GLY N N 117.704 0.5 1 571 179 170 ALA H H 7.983 0.05 1 572 179 170 ALA C C 176.624 0.5 1 573 179 170 ALA CA C 49.813 0.5 1 574 179 170 ALA CB C 24.269 0.5 1 575 179 170 ALA N N 117.964 0.5 1 576 180 171 VAL H H 7.791 0.05 1 577 180 171 VAL C C 175.521 0.5 1 578 180 171 VAL CA C 58.158 0.5 1 579 180 171 VAL CB C 35.769 0.5 1 580 180 171 VAL N N 112.019 0.5 1 581 181 172 ASP H H 8.185 0.05 1 582 181 172 ASP C C 178.643 0.5 1 583 181 172 ASP CA C 51.976 0.5 1 584 181 172 ASP CB C 42.09 0.5 1 585 181 172 ASP N N 119.896 0.5 1 586 182 173 SER H H 8.18 0.05 1 587 182 173 SER C C 175.332 0.5 1 588 182 173 SER CA C 60.691 0.5 1 589 182 173 SER CB C 63.04 0.5 1 590 182 173 SER N N 112.707 0.5 1 591 183 174 SER H H 8.412 0.05 1 592 183 174 SER C C 173.911 0.5 1 593 183 174 SER CA C 57.825 0.5 1 594 183 174 SER CB C 64.213 0.5 1 595 183 174 SER N N 118.767 0.5 1 596 184 175 ASN H H 7.997 0.05 1 597 184 175 ASN C C 173.254 0.5 1 598 184 175 ASN CA C 55.122 0.5 1 599 184 175 ASN CB C 36.024 0.5 1 600 184 175 ASN N N 113.302 0.5 1 601 185 176 GLN H H 7.999 0.05 1 602 185 176 GLN C C 176.581 0.5 1 603 185 176 GLN CA C 54.572 0.5 1 604 185 176 GLN CB C 29.469 0.5 1 605 185 176 GLN N N 117.183 0.5 1 606 186 177 ARG H H 8.18 0.05 1 607 186 177 ARG C C 176.128 0.5 1 608 186 177 ARG CA C 56.649 0.5 1 609 186 177 ARG CB C 29.516 0.5 1 610 186 177 ARG N N 123.309 0.5 1 611 187 178 ALA H H 8.062 0.05 1 612 187 178 ALA CA C 50.927 0.5 1 613 187 178 ALA CB C 18.788 0.5 1 614 187 178 ALA N N 131.06 0.5 1 615 188 179 SER C C 175.015 0.5 1 616 188 179 SER CA C 61.371 0.5 1 617 188 179 SER CB C 62.564 0.5 1 618 189 180 PHE H H 6.035 0.05 1 619 189 180 PHE C C 176.413 0.5 1 620 189 180 PHE CA C 55.544 0.5 1 621 189 180 PHE CB C 39.191 0.5 1 622 189 180 PHE N N 111.46 0.5 1 623 190 181 SER H H 7.15 0.05 1 624 190 181 SER C C 175.188 0.5 1 625 190 181 SER CA C 60.364 0.5 1 626 190 181 SER CB C 63.613 0.5 1 627 190 181 SER N N 118.723 0.5 1 628 191 182 SER H H 8.571 0.05 1 629 191 182 SER C C 171.151 0.5 1 630 191 182 SER CA C 62.476 0.5 1 631 191 182 SER CB C 65.378 0.5 1 632 191 182 SER N N 127.069 0.5 1 633 192 183 VAL H H 7.401 0.05 1 634 192 183 VAL C C 173.36 0.5 1 635 192 183 VAL CA C 58.814 0.5 1 636 192 183 VAL CB C 33.715 0.5 1 637 192 183 VAL N N 110.286 0.5 1 638 193 184 GLY H H 7.76 0.05 1 639 193 184 GLY CA C 43.632 0.5 1 640 193 184 GLY N N 107.046 0.5 1 641 194 185 PRO C C 177.341 0.5 1 642 194 185 PRO CA C 63.986 0.5 1 643 194 185 PRO CB C 31.734 0.5 1 644 195 186 GLU H H 8.477 0.05 1 645 195 186 GLU C C 174.026 0.5 1 646 195 186 GLU CA C 57.153 0.5 1 647 195 186 GLU CB C 28.291 0.5 1 648 195 186 GLU N N 115.638 0.5 1 649 196 187 LEU H H 6.774 0.05 1 650 196 187 LEU C C 175.408 0.5 1 651 196 187 LEU CA C 55.361 0.5 1 652 196 187 LEU CB C 44.11 0.5 1 653 196 187 LEU N N 117.444 0.5 1 654 197 188 ASP H H 7.95 0.05 1 655 197 188 ASP C C 176.317 0.5 1 656 197 188 ASP CA C 58.046 0.5 1 657 197 188 ASP CB C 44.69 0.5 1 658 197 188 ASP N N 123.323 0.5 1 659 198 189 VAL H H 7.873 0.05 1 660 198 189 VAL C C 172.481 0.5 1 661 198 189 VAL CA C 58.669 0.5 1 662 198 189 VAL CB C 37.877 0.5 1 663 198 189 VAL N N 108.103 0.5 1 664 199 190 MET H H 8.399 0.05 1 665 199 190 MET C C 175.209 0.5 1 666 199 190 MET CA C 51.535 0.5 1 667 199 190 MET CB C 36.293 0.5 1 668 199 190 MET N N 113.686 0.5 1 669 200 191 ALA H H 8.477 0.05 1 670 200 191 ALA CA C 50.019 0.5 1 671 200 191 ALA CB C 20.869 0.5 1 672 200 191 ALA N N 118.761 0.5 1 673 203 194 VAL C C 174.914 0.5 1 674 203 194 VAL CA C 61.992 0.5 1 675 203 194 VAL CB C 34.076 0.5 1 676 204 195 SER H H 9.591 0.05 1 677 204 195 SER C C 172.988 0.5 1 678 204 195 SER CA C 58.898 0.5 1 679 204 195 SER CB C 61.165 0.5 1 680 204 195 SER N N 125.344 0.5 1 681 205 196 ILE H H 8.46 0.05 1 682 205 196 ILE C C 176.486 0.5 1 683 205 196 ILE CA C 57.448 0.5 1 684 205 196 ILE CB C 36.272 0.5 1 685 205 196 ILE N N 120.321 0.5 1 686 206 197 VAL H H 8.827 0.05 1 687 206 197 VAL C C 175.187 0.5 1 688 206 197 VAL CA C 63.136 0.5 1 689 206 197 VAL CB C 31.434 0.5 1 690 206 197 VAL N N 128.666 0.5 1 691 207 198 SER H H 8.172 0.05 1 692 207 198 SER C C 173.084 0.5 1 693 207 198 SER CA C 53.983 0.5 1 694 207 198 SER CB C 60.888 0.5 1 695 207 198 SER N N 120.69 0.5 1 696 208 199 THR H H 8.133 0.05 1 697 208 199 THR C C 173.515 0.5 1 698 208 199 THR CA C 60.662 0.5 1 699 208 199 THR CB C 70.183 0.5 1 700 208 199 THR N N 111.66 0.5 1 701 209 200 LEU H H 7.82 0.05 1 702 209 200 LEU CA C 50.85 0.5 1 703 209 200 LEU CB C 44.889 0.5 1 704 209 200 LEU N N 118.617 0.5 1 705 210 201 PRO C C 176.234 0.5 1 706 210 201 PRO CA C 63.471 0.5 1 707 210 201 PRO CB C 32.422 0.5 1 708 211 202 GLY H H 8.174 0.05 1 709 211 202 GLY C C 176.073 0.5 1 710 211 202 GLY CA C 46.329 0.5 1 711 211 202 GLY N N 109.801 0.5 1 712 212 203 ASN H H 8.358 0.05 1 713 212 203 ASN C C 173.793 0.5 1 714 212 203 ASN CA C 53.125 0.5 1 715 212 203 ASN CB C 35.94 0.5 1 716 212 203 ASN N N 115.72 0.5 1 717 213 204 LYS H H 6.834 0.05 1 718 213 204 LYS C C 175.795 0.5 1 719 213 204 LYS CA C 54.858 0.5 1 720 213 204 LYS CB C 37.472 0.5 1 721 213 204 LYS N N 116.253 0.5 1 722 214 205 TYR H H 8.315 0.05 1 723 214 205 TYR C C 176.049 0.5 1 724 214 205 TYR CA C 57.525 0.5 1 725 214 205 TYR CB C 43.449 0.5 1 726 214 205 TYR N N 119.605 0.5 1 727 215 206 GLY H H 8.96 0.05 1 728 215 206 GLY C C 172.841 0.5 1 729 215 206 GLY CA C 45.976 0.5 1 730 215 206 GLY N N 105.632 0.5 1 731 216 207 ALA H H 8.829 0.05 1 732 216 207 ALA C C 180.583 0.5 1 733 216 207 ALA CA C 50.932 0.5 1 734 216 207 ALA CB C 20.308 0.5 1 735 216 207 ALA N N 124.703 0.5 1 736 217 208 LYS H H 8.209 0.05 1 737 217 208 LYS C C 175.273 0.5 1 738 217 208 LYS CA C 56.16 0.5 1 739 217 208 LYS CB C 39.575 0.5 1 740 217 208 LYS N N 120.321 0.5 1 741 218 209 SER H H 8.321 0.05 1 742 218 209 SER C C 172.904 0.5 1 743 218 209 SER CA C 56.496 0.5 1 744 218 209 SER CB C 66.322 0.5 1 745 218 209 SER N N 114.693 0.5 1 746 219 210 GLY H H 8.93 0.05 1 747 219 210 GLY CA C 46.025 0.5 1 748 219 210 GLY N N 110.756 0.5 1 749 225 216 PRO C C 179.288 0.5 1 750 225 216 PRO CA C 65.442 0.5 1 751 225 216 PRO CB C 32.532 0.5 1 752 226 217 HIS H H 7.601 0.05 1 753 226 217 HIS C C 177.206 0.5 1 754 226 217 HIS CA C 62.532 0.5 1 755 226 217 HIS CB C 28.155 0.5 1 756 226 217 HIS N N 116.973 0.5 1 757 227 218 VAL H H 7.356 0.05 1 758 227 218 VAL C C 177.244 0.5 1 759 227 218 VAL CA C 65.305 0.5 1 760 227 218 VAL CB C 30.314 0.5 1 761 227 218 VAL N N 119.112 0.5 1 762 228 219 ALA H H 8.347 0.05 1 763 228 219 ALA C C 179.324 0.5 1 764 228 219 ALA CA C 55.64 0.5 1 765 228 219 ALA CB C 18.188 0.5 1 766 228 219 ALA N N 122.937 0.5 1 767 229 220 GLY H H 8.558 0.05 1 768 229 220 GLY C C 175.194 0.5 1 769 229 220 GLY CA C 46.861 0.5 1 770 229 220 GLY N N 102.398 0.5 1 771 230 221 ALA H H 7.925 0.05 1 772 230 221 ALA C C 178.786 0.5 1 773 230 221 ALA CA C 55.514 0.5 1 774 230 221 ALA CB C 19.161 0.5 1 775 230 221 ALA N N 125.03 0.5 1 776 231 222 ALA H H 8.361 0.05 1 777 231 222 ALA C C 178.09 0.5 1 778 231 222 ALA CA C 55.277 0.5 1 779 231 222 ALA CB C 17.706 0.5 1 780 231 222 ALA N N 118.838 0.5 1 781 232 223 ALA H H 7.482 0.05 1 782 232 223 ALA C C 179.266 0.5 1 783 232 223 ALA CA C 55 0.5 1 784 232 223 ALA CB C 16.649 0.5 1 785 232 223 ALA N N 117.957 0.5 1 786 233 224 LEU H H 8.099 0.05 1 787 233 224 LEU C C 180.45 0.5 1 788 233 224 LEU CA C 62.279 0.5 1 789 233 224 LEU CB C 42.811 0.5 1 790 233 224 LEU N N 117.284 0.5 1 791 234 225 ILE H H 8.114 0.05 1 792 234 225 ILE C C 177.67 0.5 1 793 234 225 ILE CA C 66.486 0.5 1 794 234 225 ILE CB C 37.922 0.5 1 795 234 225 ILE N N 119.445 0.5 1 796 235 226 LEU H H 8.093 0.05 1 797 235 226 LEU C C 177.612 0.5 1 798 235 226 LEU CA C 57.029 0.5 1 799 235 226 LEU CB C 42.598 0.5 1 800 235 226 LEU N N 119.414 0.5 1 801 236 227 SER H H 7.691 0.05 1 802 236 227 SER C C 174.703 0.5 1 803 236 227 SER CA C 60.415 0.5 1 804 236 227 SER CB C 64.041 0.5 1 805 236 227 SER N N 112.589 0.5 1 806 237 228 LYS H H 6.976 0.05 1 807 237 228 LYS C C 174.915 0.5 1 808 237 228 LYS CA C 57.784 0.5 1 809 237 228 LYS CB C 33.643 0.5 1 810 237 228 LYS N N 123.239 0.5 1 811 238 229 HIS H H 7.969 0.05 1 812 238 229 HIS CA C 51.362 0.5 1 813 238 229 HIS CB C 26.743 0.5 1 814 238 229 HIS N N 116.273 0.5 1 815 239 230 PRO C C 177.434 0.5 1 816 239 230 PRO CA C 64.963 0.5 1 817 239 230 PRO CB C 31.707 0.5 1 818 240 231 ASN H H 8.354 0.05 1 819 240 231 ASN C C 176.347 0.5 1 820 240 231 ASN CA C 52.694 0.5 1 821 240 231 ASN CB C 38 0.5 1 822 240 231 ASN N N 112.415 0.5 1 823 241 232 TRP H H 7.949 0.05 1 824 241 232 TRP C C 176.238 0.5 1 825 241 232 TRP CA C 56.553 0.5 1 826 241 232 TRP CB C 29.576 0.5 1 827 241 232 TRP N N 123.927 0.5 1 828 242 233 THR H H 8.34 0.05 1 829 242 233 THR C C 175.757 0.5 1 830 242 233 THR CA C 59.957 0.5 1 831 242 233 THR CB C 72.159 0.5 1 832 242 233 THR N N 110.11 0.5 1 833 243 234 ASN H H 9.138 0.05 1 834 243 234 ASN C C 177.644 0.5 1 835 243 234 ASN CA C 56.455 0.5 1 836 243 234 ASN CB C 35.289 0.5 1 837 243 234 ASN N N 119.515 0.5 1 838 244 235 THR H H 7.785 0.05 1 839 244 235 THR C C 176.708 0.5 1 840 244 235 THR CA C 65.707 0.5 1 841 244 235 THR CB C 68.365 0.5 1 842 244 235 THR N N 117.004 0.5 1 843 245 236 GLN H H 7.488 0.05 1 844 245 236 GLN C C 178.779 0.5 1 845 245 236 GLN CA C 59.025 0.5 1 846 245 236 GLN CB C 28.871 0.5 1 847 245 236 GLN N N 123.702 0.5 1 848 246 237 VAL H H 8.561 0.05 1 849 246 237 VAL C C 174.973 0.5 1 850 246 237 VAL CA C 67.557 0.5 1 851 246 237 VAL CB C 31.689 0.5 1 852 246 237 VAL N N 120.793 0.5 1 853 247 238 ARG H H 8.422 0.05 1 854 247 238 ARG C C 177.393 0.5 1 855 247 238 ARG CA C 61.003 0.5 1 856 247 238 ARG CB C 29.487 0.5 1 857 247 238 ARG N N 118.337 0.5 1 858 248 239 SER H H 8.292 0.05 1 859 248 239 SER C C 176.468 0.5 1 860 248 239 SER CA C 61.834 0.5 1 861 248 239 SER CB C 62.753 0.5 1 862 248 239 SER N N 112.939 0.5 1 863 249 240 SER H H 8.048 0.05 1 864 249 240 SER C C 177.427 0.5 1 865 249 240 SER CA C 62.801 0.5 1 866 249 240 SER CB C 63.181 0.5 1 867 249 240 SER N N 116.435 0.5 1 868 250 241 LEU H H 7.806 0.05 1 869 250 241 LEU C C 179.075 0.5 1 870 250 241 LEU CA C 57.562 0.5 1 871 250 241 LEU CB C 43.178 0.5 1 872 250 241 LEU N N 120.876 0.5 1 873 251 242 GLU H H 8.217 0.05 1 874 251 242 GLU C C 177.482 0.5 1 875 251 242 GLU CA C 59.94 0.5 1 876 251 242 GLU CB C 30.214 0.5 1 877 251 242 GLU N N 115.363 0.5 1 878 252 243 ASN H H 8.249 0.05 1 879 252 243 ASN C C 176.725 0.5 1 880 252 243 ASN CA C 54.313 0.5 1 881 252 243 ASN CB C 39.145 0.5 1 882 252 243 ASN N N 112.581 0.5 1 883 253 244 THR H H 7.064 0.05 1 884 253 244 THR C C 173.805 0.5 1 885 253 244 THR CA C 61.253 0.5 1 886 253 244 THR CB C 69.064 0.5 1 887 253 244 THR N N 106.778 0.5 1 888 254 245 THR H H 6.752 0.05 1 889 254 245 THR C C 176.52 0.5 1 890 254 245 THR CA C 61.095 0.5 1 891 254 245 THR CB C 70.211 0.5 1 892 254 245 THR N N 110.013 0.5 1 893 255 246 THR H H 9.002 0.05 1 894 255 246 THR C C 174.046 0.5 1 895 255 246 THR CA C 62.125 0.5 1 896 255 246 THR CB C 70.08 0.5 1 897 255 246 THR N N 118.283 0.5 1 898 256 247 LYS H H 8.653 0.05 1 899 256 247 LYS C C 176.495 0.5 1 900 256 247 LYS CA C 58.196 0.5 1 901 256 247 LYS CB C 32.051 0.5 1 902 256 247 LYS N N 130.585 0.5 1 903 257 248 LEU H H 7.59 0.05 1 904 257 248 LEU C C 175.427 0.5 1 905 257 248 LEU CA C 53.573 0.5 1 906 257 248 LEU CB C 44.044 0.5 1 907 257 248 LEU N N 123.58 0.5 1 908 258 249 GLY H H 6.038 0.05 1 909 258 249 GLY CA C 44.505 0.5 1 910 258 249 GLY N N 104.458 0.5 1 911 261 252 PHE C C 173.011 0.5 1 912 261 252 PHE CA C 61.956 0.5 1 913 261 252 PHE CB C 39.806 0.5 1 914 262 253 TYR H H 7.09 0.05 1 915 262 253 TYR C C 175.949 0.5 1 916 262 253 TYR CA C 58.704 0.5 1 917 262 253 TYR CB C 41.525 0.5 1 918 262 253 TYR N N 108.894 0.5 1 919 263 254 TYR H H 7.877 0.05 1 920 263 254 TYR C C 175.348 0.5 1 921 263 254 TYR CA C 58.396 0.5 1 922 263 254 TYR CB C 41.999 0.5 1 923 263 254 TYR N N 113.679 0.5 1 924 264 255 GLY H H 8.259 0.05 1 925 264 255 GLY C C 175.387 0.5 1 926 264 255 GLY CA C 46.461 0.5 1 927 264 255 GLY N N 110.025 0.5 1 928 265 256 LYS H H 8.944 0.05 1 929 265 256 LYS C C 177.327 0.5 1 930 265 256 LYS CA C 57.358 0.5 1 931 265 256 LYS CB C 32.368 0.5 1 932 265 256 LYS N N 123.502 0.5 1 933 266 257 GLY H H 8.244 0.05 1 934 266 257 GLY C C 172.12 0.5 1 935 266 257 GLY CA C 43.7 0.5 1 936 266 257 GLY N N 107.567 0.5 1 937 267 258 LEU H H 8.249 0.05 1 938 267 258 LEU C C 176.837 0.5 1 939 267 258 LEU CA C 54.098 0.5 1 940 267 258 LEU CB C 45.318 0.5 1 941 267 258 LEU N N 121.495 0.5 1 942 268 259 ILE H H 7.096 0.05 1 943 268 259 ILE C C 173.752 0.5 1 944 268 259 ILE CA C 62.748 0.5 1 945 268 259 ILE CB C 39.704 0.5 1 946 268 259 ILE N N 117.229 0.5 1 947 269 260 ASN H H 9.26 0.05 1 948 269 260 ASN C C 175.696 0.5 1 949 269 260 ASN CA C 51.399 0.5 1 950 269 260 ASN CB C 39.41 0.5 1 951 269 260 ASN N N 120.141 0.5 1 952 270 261 VAL H H 8.795 0.05 1 953 270 261 VAL C C 175.284 0.5 1 954 270 261 VAL CA C 65.165 0.5 1 955 270 261 VAL CB C 32.413 0.5 1 956 270 261 VAL N N 120.394 0.5 1 957 271 262 GLU H H 7.246 0.05 1 958 271 262 GLU C C 178.586 0.5 1 959 271 262 GLU CA C 59.864 0.5 1 960 271 262 GLU CB C 29.297 0.5 1 961 271 262 GLU N N 121.072 0.5 1 962 272 263 ALA H H 7.254 0.05 1 963 272 263 ALA C C 180.636 0.5 1 964 272 263 ALA CA C 53.884 0.5 1 965 272 263 ALA CB C 18.931 0.5 1 966 272 263 ALA N N 120.861 0.5 1 967 273 264 ALA H H 8.25 0.05 1 968 273 264 ALA C C 178.734 0.5 1 969 273 264 ALA CA C 54.74 0.5 1 970 273 264 ALA CB C 19.549 0.5 1 971 273 264 ALA N N 120.399 0.5 1 972 274 265 ALA H H 7.74 0.05 1 973 274 265 ALA C C 177.067 0.5 1 974 274 265 ALA CA C 52.104 0.5 1 975 274 265 ALA CB C 19.982 0.5 1 976 274 265 ALA N N 114.673 0.5 1 977 275 266 GLN H H 7.37 0.05 1 978 275 266 GLN CA C 59.416 0.5 1 979 275 266 GLN CB C 29.244 0.5 1 980 275 266 GLN N N 122.658 0.5 1 stop_ save_