data_15248 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Main chain NMR assignments of SBT70 in its prodomain-bound state ; _BMRB_accession_number 15248 _BMRB_flat_file_name bmr15248.str _Entry_type original _Submission_date 2007-05-14 _Accession_date 2007-05-14 _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" 215 "13C chemical shifts" 673 "15N chemical shifts" 215 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'update entry citation' 2008-01-28 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15250 'subtilisin Sbt70' 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 bound to prodomainR9' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Sbt70-proR9 $Sbt70-proR9 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-proR9 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Sbt70-proR9 _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 15250 Sbt70 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-proR9 'Escherichia 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-proR9 '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-proR9 0.7 mM '[U-95% 13C; U-95% 15N]' H2O 90 % . D2O 10 % . KPi 0.1 M . 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_ _Software_label $SPARKY stop_ 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-proR9 _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 4 4 VAL H H 8.542 0.05 1 2 4 4 VAL N N 122.811 0.5 1 3 6 6 TYR C C 177.799 0.5 1 4 6 6 TYR CA C 61.439 0.5 1 5 6 6 TYR CB C 37.975 0.5 1 6 7 7 GLY H H 8.756 0.05 1 7 7 7 GLY C C 174.92 0.5 1 8 7 7 GLY CA C 46.904 0.5 1 9 7 7 GLY N N 110.022 0.5 1 10 8 8 VAL H H 7.095 0.05 1 11 8 8 VAL C C 177.999 0.5 1 12 8 8 VAL CA C 66.911 0.5 1 13 8 8 VAL CB C 32.348 0.5 1 14 8 8 VAL N N 119.487 0.5 1 15 9 9 SER H H 7.315 0.05 1 16 9 9 SER C C 178.683 0.5 1 17 9 9 SER CA C 61.686 0.5 1 18 9 9 SER CB C 62.86 0.5 1 19 9 9 SER N N 113.579 0.5 1 20 10 10 GLN H H 8.635 0.05 1 21 10 10 GLN C C 178.319 0.5 1 22 10 10 GLN CA C 59.693 0.5 1 23 10 10 GLN CB C 29.757 0.5 1 24 10 10 GLN N N 125.466 0.5 1 25 11 11 ILE H H 7.027 0.05 1 26 11 11 ILE C C 173.854 0.5 1 27 11 11 ILE CA C 61.733 0.5 1 28 11 11 ILE CB C 38.088 0.5 1 29 11 11 ILE N N 106.883 0.5 1 30 12 12 LYS H H 7.845 0.05 1 31 12 12 LYS C C 174.597 0.5 1 32 12 12 LYS CA C 58.137 0.5 1 33 12 12 LYS CB C 28.888 0.5 1 34 12 12 LYS N N 113.379 0.5 1 35 13 13 ALA H H 7.262 0.05 1 36 13 13 ALA CA C 55.595 0.5 1 37 13 13 ALA CB C 17.693 0.5 1 38 13 13 ALA N N 118.059 0.5 1 39 14 14 PRO C C 177.167 0.5 1 40 14 14 PRO CA C 66.171 0.5 1 41 14 14 PRO CB C 30.97 0.5 1 42 15 15 ALA H H 7.33 0.05 1 43 15 15 ALA C C 180.416 0.5 1 44 15 15 ALA CA C 54.872 0.5 1 45 15 15 ALA CB C 18.41 0.5 1 46 15 15 ALA N N 118.791 0.5 1 47 16 16 LEU H H 7.281 0.05 1 48 16 16 LEU C C 179.584 0.5 1 49 16 16 LEU CA C 56.523 0.5 1 50 16 16 LEU CB C 40.171 0.5 1 51 16 16 LEU N N 119.394 0.5 1 52 17 17 HIS H H 7.62 0.05 1 53 17 17 HIS C C 180.908 0.5 1 54 17 17 HIS CA C 58.146 0.5 1 55 17 17 HIS CB C 31.476 0.5 1 56 17 17 HIS N N 120.747 0.5 1 57 18 18 SER H H 8.415 0.05 1 58 18 18 SER C C 175.397 0.5 1 59 18 18 SER CA C 61.55 0.5 1 60 18 18 SER CB C 63.228 0.5 1 61 18 18 SER N N 114.281 0.5 1 62 19 19 GLN H H 7.235 0.05 1 63 19 19 GLN C C 175.255 0.5 1 64 19 19 GLN CA C 56.163 0.5 1 65 19 19 GLN CB C 30.625 0.5 1 66 19 19 GLN N N 118.974 0.5 1 67 20 20 GLY H H 7.63 0.05 1 68 20 20 GLY C C 173.511 0.5 1 69 20 20 GLY CA C 44.701 0.5 1 70 20 20 GLY N N 104.752 0.5 1 71 21 21 TYR H H 7.768 0.05 1 72 21 21 TYR C C 174.33 0.5 1 73 21 21 TYR CA C 57.815 0.5 1 74 21 21 TYR CB C 38.226 0.5 1 75 21 21 TYR N N 121.954 0.5 1 76 22 22 THR H H 8.858 0.05 1 77 22 22 THR C C 175.338 0.5 1 78 22 22 THR CA C 60.471 0.5 1 79 22 22 THR CB C 70.041 0.5 1 80 22 22 THR N N 108.389 0.5 1 81 23 23 GLY H H 8.077 0.05 1 82 23 23 GLY C C 171.869 0.5 1 83 23 23 GLY CA C 45.359 0.5 1 84 23 23 GLY N N 109.845 0.5 1 85 24 24 SER H H 7.669 0.05 1 86 24 24 SER C C 174.442 0.5 1 87 24 24 SER CA C 60.233 0.5 1 88 24 24 SER CB C 63.147 0.5 1 89 24 24 SER N N 113.46 0.5 1 90 25 25 ASN H H 8.626 0.05 1 91 25 25 ASN C C 173.901 0.5 1 92 25 25 ASN CA C 55.184 0.5 1 93 25 25 ASN CB C 37.881 0.5 1 94 25 25 ASN N N 116.786 0.5 1 95 26 26 VAL H H 7.722 0.05 1 96 26 26 VAL C C 174.979 0.5 1 97 26 26 VAL CA C 63.183 0.5 1 98 26 26 VAL CB C 33.029 0.5 1 99 26 26 VAL N N 121.434 0.5 1 100 27 27 LYS H H 10 0.05 1 101 27 27 LYS C C 176.113 0.5 1 102 27 27 LYS CA C 56.652 0.5 1 103 27 27 LYS CB C 34.206 0.5 1 104 27 27 LYS N N 128.923 0.5 1 105 28 28 VAL H H 9.345 0.05 1 106 28 28 VAL C C 174.508 0.5 1 107 28 28 VAL CA C 60.507 0.5 1 108 28 28 VAL CB C 33.871 0.5 1 109 28 28 VAL N N 125.231 0.5 1 110 29 29 ALA H H 9.126 0.05 1 111 29 29 ALA C C 175.607 0.5 1 112 29 29 ALA CA C 50.677 0.5 1 113 29 29 ALA CB C 19.714 0.5 1 114 29 29 ALA N N 128.205 0.5 1 115 30 30 VAL H H 9.038 0.05 1 116 30 30 VAL CA C 63.069 0.5 1 117 30 30 VAL CB C 31.243 0.5 1 118 30 30 VAL N N 126.847 0.5 1 119 31 31 ILE C C 174.769 0.5 1 120 31 31 ILE CA C 62.549 0.5 1 121 31 31 ILE CB C 36.245 0.5 1 122 32 32 ASP H H 8.849 0.05 1 123 32 32 ASP C C 176.608 0.5 1 124 32 32 ASP CA C 55.704 0.5 1 125 32 32 ASP CB C 45.915 0.5 1 126 32 32 ASP N N 131.362 0.5 1 127 33 33 SER H H 11.195 0.05 1 128 33 33 SER C C 172.867 0.5 1 129 33 33 SER CA C 60.191 0.5 1 130 33 33 SER CB C 64.548 0.5 1 131 33 33 SER N N 123.046 0.5 1 132 34 34 GLY H H 7.369 0.05 1 133 34 34 GLY C C 171.527 0.5 1 134 34 34 GLY CA C 44.17 0.5 1 135 34 34 GLY N N 108.861 0.5 1 136 35 35 ILE H H 7.281 0.05 1 137 35 35 ILE C C 173.894 0.5 1 138 35 35 ILE CA C 60.9 0.5 1 139 35 35 ILE CB C 43.383 0.5 1 140 35 35 ILE N N 111.684 0.5 1 141 36 36 ASP H H 8.114 0.05 1 142 36 36 ASP C C 175.694 0.5 1 143 36 36 ASP CA C 53.558 0.5 1 144 36 36 ASP CB C 40.369 0.5 1 145 36 36 ASP N N 123.2 0.5 1 146 37 37 SER H H 7.79 0.05 1 147 37 37 SER C C 174.163 0.5 1 148 37 37 SER CA C 59.586 0.5 1 149 37 37 SER CB C 63.452 0.5 1 150 37 37 SER N N 122.379 0.5 1 151 38 38 SER H H 8.403 0.05 1 152 38 38 SER C C 174.56 0.5 1 153 38 38 SER CA C 59.365 0.5 1 154 38 38 SER CB C 64.066 0.5 1 155 38 38 SER N N 117.844 0.5 1 156 39 39 HIS H H 7.382 0.05 1 157 39 39 HIS CA C 56.443 0.5 1 158 39 39 HIS CB C 31.627 0.5 1 159 39 39 HIS N N 128.539 0.5 1 160 40 40 PRO C C 178.003 0.5 1 161 40 40 PRO CA C 64.612 0.5 1 162 40 40 PRO CB C 32.619 0.5 1 163 41 41 ASP H H 10.073 0.05 1 164 41 41 ASP C C 175.943 0.5 1 165 41 41 ASP CA C 54.403 0.5 1 166 41 41 ASP CB C 40.985 0.5 1 167 41 41 ASP N N 118.164 0.5 1 168 42 42 LEU H H 7.627 0.05 1 169 42 42 LEU C C 174.357 0.5 1 170 42 42 LEU CA C 53.374 0.5 1 171 42 42 LEU CB C 44.887 0.5 1 172 42 42 LEU N N 118.217 0.5 1 173 43 43 ASN H H 6.168 0.05 1 174 43 43 ASN C C 174.025 0.5 1 175 43 43 ASN CA C 52.532 0.5 1 176 43 43 ASN CB C 40.18 0.5 1 177 43 43 ASN N N 117.931 0.5 1 178 44 44 VAL H H 8.375 0.05 1 179 44 44 VAL C C 174.8 0.5 1 180 44 44 VAL CA C 61.733 0.5 1 181 44 44 VAL CB C 33.459 0.5 1 182 44 44 VAL N N 123.77 0.5 1 183 45 45 ALA H H 8.886 0.05 1 184 45 45 ALA C C 177.129 0.5 1 185 45 45 ALA CA C 53.023 0.5 1 186 45 45 ALA CB C 19.626 0.5 1 187 45 45 ALA N N 129.895 0.5 1 188 46 46 GLY H H 7.01 0.05 1 189 46 46 GLY C C 171.992 0.5 1 190 46 46 GLY CA C 45.631 0.5 1 191 46 46 GLY N N 102.897 0.5 1 192 47 47 GLY H H 9.034 0.05 1 193 47 47 GLY C C 170.085 0.5 1 194 47 47 GLY CA C 46.509 0.5 1 195 47 47 GLY N N 107.837 0.5 1 196 48 48 ALA H H 8.014 0.05 1 197 48 48 ALA C C 174.949 0.5 1 198 48 48 ALA CA C 51.969 0.5 1 199 48 48 ALA CB C 21.972 0.5 1 200 48 48 ALA N N 118.081 0.5 1 201 49 49 SER H H 8.346 0.05 1 202 49 49 SER CA C 54.855 0.5 1 203 49 49 SER CB C 64.582 0.5 1 204 49 49 SER N N 112.572 0.5 1 205 50 50 PHE C C 174.743 0.5 1 206 50 50 PHE CA C 63.185 0.5 1 207 50 50 PHE CB C 31.442 0.5 1 208 51 51 VAL H H 8.302 0.05 1 209 51 51 VAL CA C 62.617 0.5 1 210 51 51 VAL CB C 35.636 0.5 1 211 51 51 VAL N N 130.674 0.5 1 212 52 52 PRO C C 179.284 0.5 1 213 52 52 PRO CA C 60.313 0.5 1 214 52 52 PRO CB C 36.242 0.5 1 215 53 53 SER H H 10.403 0.05 1 216 53 53 SER C C 175.826 0.5 1 217 53 53 SER CA C 62.761 0.5 1 218 53 53 SER CB C 61.377 0.5 1 219 53 53 SER N N 115.198 0.5 1 220 54 54 GLU H H 7.114 0.05 1 221 54 54 GLU CA C 57.982 0.5 1 222 54 54 GLU CB C 28.899 0.5 1 223 54 54 GLU N N 123.731 0.5 1 224 55 55 THR C C 173.503 0.5 1 225 55 55 THR CA C 63.574 0.5 1 226 55 55 THR CB C 69.198 0.5 1 227 56 56 ASN H H 7.856 0.05 1 228 56 56 ASN CA C 49.377 0.5 1 229 56 56 ASN CB C 39.779 0.5 1 230 56 56 ASN N N 120.228 0.5 1 231 57 57 PRO C C 173.428 0.5 1 232 57 57 PRO CA C 64.131 0.5 1 233 57 57 PRO CB C 31.855 0.5 1 234 58 58 PHE H H 7.367 0.05 1 235 58 58 PHE C C 174.587 0.5 1 236 58 58 PHE CA C 55.183 0.5 1 237 58 58 PHE CB C 37.255 0.5 1 238 58 58 PHE N N 116.897 0.5 1 239 59 59 GLN H H 6.854 0.05 1 240 59 59 GLN C C 173.854 0.5 1 241 59 59 GLN CA C 54.101 0.5 1 242 59 59 GLN CB C 31.026 0.5 1 243 59 59 GLN N N 118.799 0.5 1 244 60 60 ASP H H 8.905 0.05 1 245 60 60 ASP C C 175.366 0.5 1 246 60 60 ASP CA C 51.548 0.5 1 247 60 60 ASP CB C 41.392 0.5 1 248 60 60 ASP N N 125.815 0.5 1 249 61 61 ASN H H 8.7 0.05 1 250 61 61 ASN CA C 54.458 0.5 1 251 61 61 ASN N N 121.481 0.5 1 252 65 65 GLY C C 171.589 0.5 1 253 65 65 GLY CA C 45.993 0.5 1 254 66 66 THR H H 7.939 0.05 1 255 66 66 THR C C 175.119 0.5 1 256 66 66 THR CA C 62.963 0.5 1 257 66 66 THR CB C 67.959 0.5 1 258 66 66 THR N N 114.933 0.5 1 259 67 67 HIS H H 7.698 0.05 1 260 67 67 HIS CA C 61.247 0.5 1 261 67 67 HIS CB C 32.359 0.5 1 262 67 67 HIS N N 127.362 0.5 1 263 68 68 VAL C C 178.768 0.5 1 264 68 68 VAL CA C 66.203 0.5 1 265 68 68 VAL CB C 32.684 0.5 1 266 69 69 ALA H H 8.541 0.05 1 267 69 69 ALA C C 179.169 0.5 1 268 69 69 ALA CA C 55.655 0.5 1 269 69 69 ALA CB C 20.216 0.5 1 270 69 69 ALA N N 120.671 0.5 1 271 70 70 GLY H H 7.705 0.05 1 272 70 70 GLY C C 177.146 0.5 1 273 70 70 GLY CA C 47.521 0.5 1 274 70 70 GLY N N 102.692 0.5 1 275 71 71 THR H H 7.399 0.05 1 276 71 71 THR C C 175.517 0.5 1 277 71 71 THR CA C 66.448 0.5 1 278 71 71 THR CB C 67.634 0.5 1 279 71 71 THR N N 120.541 0.5 1 280 72 72 VAL H H 7.444 0.05 1 281 72 72 VAL C C 177.988 0.5 1 282 72 72 VAL CA C 67.517 0.5 1 283 72 72 VAL CB C 31.12 0.5 1 284 72 72 VAL N N 120.22 0.5 1 285 73 73 LEU H H 7.318 0.05 1 286 73 73 LEU C C 178.133 0.5 1 287 73 73 LEU CA C 55.952 0.5 1 288 73 73 LEU CB C 42.083 0.5 1 289 73 73 LEU N N 115.563 0.5 1 290 74 74 ALA H H 7.658 0.05 1 291 74 74 ALA C C 178.856 0.5 1 292 74 74 ALA CA C 54.52 0.5 1 293 74 74 ALA CB C 18.016 0.5 1 294 74 74 ALA N N 121.826 0.5 1 295 84 75 VAL H H 7.102 0.05 1 296 84 75 VAL C C 175.038 0.5 1 297 84 75 VAL CA C 65.851 0.5 1 298 84 75 VAL CB C 33.544 0.5 1 299 84 75 VAL N N 114.001 0.5 1 300 85 76 ALA H H 8.824 0.05 1 301 85 76 ALA CA C 49.43 0.5 1 302 85 76 ALA CB C 19.374 0.5 1 303 85 76 ALA N N 123.376 0.5 1 304 86 77 PRO C C 178.561 0.5 1 305 86 77 PRO CA C 65.465 0.5 1 306 86 77 PRO CB C 33.18 0.5 1 307 87 78 SER H H 8.175 0.05 1 308 87 78 SER C C 173.53 0.5 1 309 87 78 SER CA C 56.94 0.5 1 310 87 78 SER CB C 62.877 0.5 1 311 87 78 SER N N 110.342 0.5 1 312 88 79 ALA H H 7.643 0.05 1 313 88 79 ALA C C 176.563 0.5 1 314 88 79 ALA CA C 52.966 0.5 1 315 88 79 ALA CB C 18.383 0.5 1 316 88 79 ALA N N 124.516 0.5 1 317 89 80 SER H H 8.693 0.05 1 318 89 80 SER C C 172.499 0.5 1 319 89 80 SER CA C 57.964 0.5 1 320 89 80 SER CB C 64.643 0.5 1 321 89 80 SER N N 116.446 0.5 1 322 90 81 LEU H H 8.451 0.05 1 323 90 81 LEU C C 175.918 0.5 1 324 90 81 LEU CA C 54.036 0.5 1 325 90 81 LEU CB C 45.196 0.5 1 326 90 81 LEU N N 125.075 0.5 1 327 91 82 TYR H H 8.952 0.05 1 328 91 82 TYR C C 174.937 0.5 1 329 91 82 TYR CA C 56.662 0.5 1 330 91 82 TYR CB C 40.785 0.5 1 331 91 82 TYR N N 119.926 0.5 1 332 92 83 ALA H H 8.684 0.05 1 333 92 83 ALA C C 173.351 0.5 1 334 92 83 ALA CA C 51.224 0.5 1 335 92 83 ALA CB C 20.56 0.5 1 336 92 83 ALA N N 127.148 0.5 1 337 93 84 VAL H H 7.633 0.05 1 338 93 84 VAL C C 174.968 0.5 1 339 93 84 VAL CA C 60.649 0.5 1 340 93 84 VAL CB C 31.742 0.5 1 341 93 84 VAL N N 125.462 0.5 1 342 94 85 LYS H H 8.667 0.05 1 343 94 85 LYS C C 174.9 0.5 1 344 94 85 LYS CA C 56.445 0.5 1 345 94 85 LYS CB C 33.99 0.5 1 346 94 85 LYS N N 129.268 0.5 1 347 95 86 VAL H H 8.972 0.05 1 348 95 86 VAL C C 171.263 0.5 1 349 95 86 VAL CA C 60.794 0.5 1 350 95 86 VAL CB C 33.483 0.5 1 351 95 86 VAL N N 118.965 0.5 1 352 96 87 LEU H H 6.77 0.05 1 353 96 87 LEU C C 176.859 0.5 1 354 96 87 LEU CA C 51.836 0.5 1 355 96 87 LEU CB C 44.902 0.5 1 356 96 87 LEU N N 116.185 0.5 1 357 97 88 GLY H H 8.299 0.05 1 358 97 88 GLY C C 175.307 0.5 1 359 97 88 GLY CA C 43.71 0.5 1 360 97 88 GLY N N 105.669 0.5 1 361 98 89 ALA H H 9.623 0.05 1 362 98 89 ALA C C 179.073 0.5 1 363 98 89 ALA CA C 55.623 0.5 1 364 98 89 ALA CB C 19.436 0.5 1 365 98 89 ALA N N 123.698 0.5 1 366 99 90 ASP H H 8.361 0.05 1 367 99 90 ASP C C 177.798 0.5 1 368 99 90 ASP CA C 53.77 0.5 1 369 99 90 ASP CB C 40.108 0.5 1 370 99 90 ASP N N 114.871 0.5 1 371 100 91 GLY H H 8.818 0.05 1 372 100 91 GLY C C 175.505 0.5 1 373 100 91 GLY CA C 46.013 0.5 1 374 100 91 GLY N N 109.011 0.5 1 375 101 92 SER H H 10.222 0.05 1 376 101 92 SER CA C 66.99 0.5 1 377 101 92 SER CB C 69.905 0.5 1 378 101 92 SER N N 115.368 0.5 1 379 106 97 TRP C C 176.615 0.5 1 380 106 97 TRP CA C 54.159 0.5 1 381 106 97 TRP CB C 27.958 0.5 1 382 107 98 ILE H H 9.492 0.05 1 383 107 98 ILE CA C 60.318 0.5 1 384 107 98 ILE CB C 36.044 0.5 1 385 107 98 ILE N N 125.766 0.5 1 386 108 99 ILE C C 177.329 0.5 1 387 109 100 ASN C C 178.006 0.5 1 388 109 100 ASN CA C 56.694 0.5 1 389 109 100 ASN CB C 38.41 0.5 1 390 110 101 GLY H H 7.979 0.05 1 391 110 101 GLY C C 174.497 0.5 1 392 110 101 GLY CA C 48.247 0.5 1 393 110 101 GLY N N 108.539 0.5 1 394 111 102 ILE H H 8.62 0.05 1 395 111 102 ILE CA C 66.346 0.5 1 396 111 102 ILE CB C 37.973 0.5 1 397 111 102 ILE N N 123.804 0.5 1 398 113 104 TRP C C 179.102 0.5 1 399 113 104 TRP CA C 62.668 0.5 1 400 113 104 TRP CB C 30.163 0.5 1 401 114 105 ALA H H 8.18 0.05 1 402 114 105 ALA C C 178.444 0.5 1 403 114 105 ALA CA C 55.197 0.5 1 404 114 105 ALA CB C 18.226 0.5 1 405 114 105 ALA N N 122.276 0.5 1 406 115 106 ILE H H 8.027 0.05 1 407 115 106 ILE C C 179.63 0.5 1 408 115 106 ILE CA C 65.532 0.5 1 409 115 106 ILE CB C 38.738 0.5 1 410 115 106 ILE N N 118.434 0.5 1 411 116 107 ALA H H 8.313 0.05 1 412 116 107 ALA C C 178.411 0.5 1 413 116 107 ALA CA C 54.989 0.5 1 414 116 107 ALA CB C 18.881 0.5 1 415 116 107 ALA N N 122.671 0.5 1 416 117 108 ASN H H 7.179 0.05 1 417 117 108 ASN C C 172.468 0.5 1 418 117 108 ASN CA C 53.322 0.5 1 419 117 108 ASN CB C 38.392 0.5 1 420 117 108 ASN N N 112.006 0.5 1 421 118 109 ASN H H 7.611 0.05 1 422 118 109 ASN C C 174.53 0.5 1 423 118 109 ASN CA C 54.554 0.5 1 424 118 109 ASN CB C 36.942 0.5 1 425 118 109 ASN N N 114.04 0.5 1 426 119 110 MET H H 7.508 0.05 1 427 119 110 MET C C 174.491 0.5 1 428 119 110 MET CA C 54.545 0.5 1 429 119 110 MET CB C 34.518 0.5 1 430 119 110 MET N N 113.487 0.5 1 431 120 111 ASP H H 8.352 0.05 1 432 120 111 ASP C C 177.463 0.5 1 433 120 111 ASP CA C 57.148 0.5 1 434 120 111 ASP CB C 44.484 0.5 1 435 120 111 ASP N N 118.257 0.5 1 436 121 112 VAL H H 8.077 0.05 1 437 121 112 VAL C C 174.505 0.5 1 438 121 112 VAL CA C 60.051 0.5 1 439 121 112 VAL CB C 37.511 0.5 1 440 121 112 VAL N N 118.463 0.5 1 441 122 113 ILE H H 9.196 0.05 1 442 122 113 ILE C C 172.837 0.5 1 443 122 113 ILE CA C 60.075 0.5 1 444 122 113 ILE CB C 42.693 0.5 1 445 122 113 ILE N N 124.407 0.5 1 446 123 114 ASN H H 8.737 0.05 1 447 123 114 ASN C C 174.41 0.5 1 448 123 114 ASN CA C 53.1 0.5 1 449 123 114 ASN CB C 43.681 0.5 1 450 123 114 ASN N N 124.472 0.5 1 451 124 115 MET H H 9.369 0.05 1 452 124 115 MET CA C 54.734 0.5 1 453 124 115 MET CB C 34.863 0.5 1 454 124 115 MET N N 126.734 0.5 1 455 125 116 SER C C 174.563 0.5 1 456 125 116 SER CA C 59.271 0.5 1 457 125 116 SER CB C 60.692 0.5 1 458 126 117 LEU H H 8.125 0.05 1 459 126 117 LEU C C 172.565 0.5 1 460 126 117 LEU CA C 54.063 0.5 1 461 126 117 LEU CB C 44.051 0.5 1 462 126 117 LEU N N 118.613 0.5 1 463 127 118 GLY H H 7.634 0.05 1 464 127 118 GLY C C 172.652 0.5 1 465 127 118 GLY CA C 46.741 0.5 1 466 127 118 GLY N N 104.654 0.5 1 467 128 119 GLY H H 9.074 0.05 1 468 128 119 GLY CA C 44.34 0.5 1 469 128 119 GLY N N 106.209 0.5 1 470 129 120 PRO C C 177.192 0.5 1 471 129 120 PRO CA C 63.928 0.5 1 472 129 120 PRO CB C 32.838 0.5 1 473 130 121 SER H H 7.328 0.05 1 474 130 121 SER C C 173.208 0.5 1 475 130 121 SER CA C 57.219 0.5 1 476 130 121 SER CB C 65.119 0.5 1 477 130 121 SER N N 112.868 0.5 1 478 131 122 GLY H H 8.208 0.05 1 479 131 122 GLY CA C 44.118 0.5 1 480 131 122 GLY N N 113.1 0.5 1 481 132 123 SER C C 180.9 0.5 1 482 132 123 SER CA C 63.564 0.5 1 483 133 124 ALA H H 7.9 0.05 1 484 133 124 ALA C C 180.303 0.5 1 485 133 124 ALA CA C 55.238 0.5 1 486 133 124 ALA CB C 18.866 0.5 1 487 133 124 ALA N N 120.989 0.5 1 488 134 125 ALA H H 8.035 0.05 1 489 134 125 ALA C C 178.458 0.5 1 490 134 125 ALA CA C 54.967 0.5 1 491 134 125 ALA CB C 19.543 0.5 1 492 134 125 ALA N N 122.753 0.5 1 493 135 126 LEU H H 7.988 0.05 1 494 135 126 LEU CA C 57.418 0.5 1 495 135 126 LEU CB C 42.512 0.5 1 496 135 126 LEU N N 120.555 0.5 1 497 138 129 ALA C C 179.041 0.5 1 498 138 129 ALA CA C 55.8 0.5 1 499 138 129 ALA CB C 19.002 0.5 1 500 139 130 VAL H H 7.955 0.05 1 501 139 130 VAL C C 177.579 0.5 1 502 139 130 VAL CA C 66.395 0.5 1 503 139 130 VAL CB C 31.345 0.5 1 504 139 130 VAL N N 112.145 0.5 1 505 140 131 ASP H H 8.587 0.05 1 506 140 131 ASP CA C 57.6 0.5 1 507 140 131 ASP CB C 39.128 0.5 1 508 140 131 ASP N N 122.012 0.5 1 509 141 132 LYS C C 179.149 0.5 1 510 141 132 LYS CA C 57.753 0.5 1 511 141 132 LYS CB C 31.122 0.5 1 512 142 133 ALA H H 8.025 0.05 1 513 142 133 ALA C C 179.218 0.5 1 514 142 133 ALA CA C 55.746 0.5 1 515 142 133 ALA CB C 16.63 0.5 1 516 142 133 ALA N N 124.514 0.5 1 517 143 134 VAL H H 8.056 0.05 1 518 143 134 VAL C C 181.076 0.5 1 519 143 134 VAL CA C 66.384 0.5 1 520 143 134 VAL CB C 31.909 0.5 1 521 143 134 VAL N N 119.996 0.5 1 522 144 135 ALA H H 8.484 0.05 1 523 144 135 ALA C C 179.338 0.5 1 524 144 135 ALA CA C 54.937 0.5 1 525 144 135 ALA CB C 18.1 0.5 1 526 144 135 ALA N N 125.739 0.5 1 527 145 136 SER H H 7.634 0.05 1 528 145 136 SER C C 173.731 0.5 1 529 145 136 SER CA C 59.154 0.5 1 530 145 136 SER CB C 63.615 0.5 1 531 145 136 SER N N 112.463 0.5 1 532 146 137 GLY H H 7.661 0.05 1 533 146 137 GLY C C 174.318 0.5 1 534 146 137 GLY CA C 44.946 0.5 1 535 146 137 GLY N N 106.399 0.5 1 536 147 138 VAL H H 7.824 0.05 1 537 147 138 VAL C C 176.756 0.5 1 538 147 138 VAL CA C 62.691 0.5 1 539 147 138 VAL CB C 33.262 0.5 1 540 147 138 VAL N N 122.299 0.5 1 541 148 139 VAL H H 8.122 0.05 1 542 148 139 VAL C C 174.619 0.5 1 543 148 139 VAL CA C 62.802 0.5 1 544 148 139 VAL CB C 32.8 0.5 1 545 148 139 VAL N N 126.756 0.5 1 546 149 140 VAL H H 8.147 0.05 1 547 149 140 VAL C C 174.006 0.5 1 548 149 140 VAL CA C 62.963 0.5 1 549 149 140 VAL CB C 32.253 0.5 1 550 149 140 VAL N N 128.797 0.5 1 551 150 141 VAL H H 8.675 0.05 1 552 150 141 VAL C C 173.249 0.5 1 553 150 141 VAL CA C 61.249 0.5 1 554 150 141 VAL CB C 34.882 0.5 1 555 150 141 VAL N N 130.813 0.5 1 556 151 142 ALA H H 9.524 0.05 1 557 151 142 ALA C C 175.722 0.5 1 558 151 142 ALA CA C 50.266 0.5 1 559 151 142 ALA CB C 24.23 0.5 1 560 151 142 ALA N N 127.983 0.5 1 561 152 143 ALA H H 7.527 0.05 1 562 152 143 ALA C C 176.72 0.5 1 563 152 143 ALA CA C 51.85 0.5 1 564 152 143 ALA CB C 21.736 0.5 1 565 152 143 ALA N N 121.682 0.5 1 566 153 144 ALA H H 8.688 0.05 1 567 153 144 ALA C C 175.311 0.5 1 568 153 144 ALA CA C 54.146 0.5 1 569 153 144 ALA CB C 20.03 0.5 1 570 153 144 ALA N N 120.251 0.5 1 571 154 145 GLY H H 7.139 0.05 1 572 154 145 GLY C C 173.002 0.5 1 573 154 145 GLY CA C 41.975 0.5 1 574 154 145 GLY N N 103.25 0.5 1 575 155 146 ASN H H 7.228 0.05 1 576 155 146 ASN C C 177.735 0.5 1 577 155 146 ASN CA C 51.063 0.5 1 578 155 146 ASN CB C 38.575 0.5 1 579 155 146 ASN N N 118.374 0.5 1 580 156 147 GLU H H 7.43 0.05 1 581 156 147 GLU C C 177.142 0.5 1 582 156 147 GLU CA C 55.478 0.5 1 583 156 147 GLU CB C 30.269 0.5 1 584 156 147 GLU N N 115.772 0.5 1 585 157 148 GLY H H 7.622 0.05 1 586 157 148 GLY C C 171.826 0.5 1 587 157 148 GLY CA C 45.839 0.5 1 588 157 148 GLY N N 106.977 0.5 1 589 158 149 THR H H 7.907 0.05 1 590 158 149 THR C C 175.062 0.5 1 591 158 149 THR CA C 59.962 0.5 1 592 158 149 THR CB C 70.924 0.5 1 593 158 149 THR N N 110.544 0.5 1 594 159 150 SER H H 9.872 0.05 1 595 159 150 SER CA C 56.501 0.5 1 596 159 150 SER CB C 62.944 0.5 1 597 159 150 SER N N 119.055 0.5 1 598 163 154 SER C C 177.492 0.5 1 599 163 154 SER CA C 57.371 0.5 1 600 163 154 SER CB C 63.261 0.5 1 601 164 155 THR H H 9.625 0.05 1 602 164 155 THR C C 176.132 0.5 1 603 164 155 THR CA C 59.849 0.5 1 604 164 155 THR CB C 69.118 0.5 1 605 164 155 THR N N 119.248 0.5 1 606 165 156 VAL H H 7.379 0.05 1 607 165 156 VAL C C 175.843 0.5 1 608 165 156 VAL CA C 63.598 0.5 1 609 165 156 VAL CB C 31.833 0.5 1 610 165 156 VAL N N 127.551 0.5 1 611 166 157 GLY H H 8.631 0.05 1 612 166 157 GLY C C 171.895 0.5 1 613 166 157 GLY CA C 46.119 0.5 1 614 166 157 GLY N N 104.526 0.5 1 615 167 158 TYR H H 7.449 0.05 1 616 167 158 TYR CA C 61.905 0.5 1 617 167 158 TYR CB C 34.092 0.5 1 618 167 158 TYR N N 119.223 0.5 1 619 168 159 PRO C C 175.889 0.5 1 620 168 159 PRO CA C 63.663 0.5 1 621 168 159 PRO CB C 32.257 0.5 1 622 169 160 GLY H H 8.599 0.05 1 623 169 160 GLY C C 172.398 0.5 1 624 169 160 GLY CA C 44.063 0.5 1 625 169 160 GLY N N 114.465 0.5 1 626 170 161 LYS H H 9.021 0.05 1 627 170 161 LYS CA C 56.801 0.5 1 628 170 161 LYS CB C 38.395 0.5 1 629 170 161 LYS N N 115.217 0.5 1 630 172 163 PRO C C 178.267 0.5 1 631 172 163 PRO CA C 64.698 0.5 1 632 172 163 PRO CB C 31.789 0.5 1 633 173 164 SER H H 7.898 0.05 1 634 173 164 SER C C 172.757 0.5 1 635 173 164 SER CA C 58.992 0.5 1 636 173 164 SER CB C 62.941 0.5 1 637 173 164 SER N N 111.427 0.5 1 638 174 165 VAL H H 7.6 0.05 1 639 174 165 VAL C C 174.465 0.5 1 640 174 165 VAL CA C 61.742 0.5 1 641 174 165 VAL CB C 34.134 0.5 1 642 174 165 VAL N N 123.746 0.5 1 643 175 166 ILE H H 7.728 0.05 1 644 175 166 ILE C C 173.497 0.5 1 645 175 166 ILE CA C 61.693 0.5 1 646 175 166 ILE CB C 38.901 0.5 1 647 175 166 ILE N N 124.736 0.5 1 648 176 167 ALA H H 11.224 0.05 1 649 176 167 ALA C C 178.785 0.5 1 650 176 167 ALA CA C 50.929 0.5 1 651 176 167 ALA CB C 19.297 0.5 1 652 176 167 ALA N N 134.938 0.5 1 653 177 168 VAL H H 8.639 0.05 1 654 177 168 VAL C C 176.665 0.5 1 655 177 168 VAL CA C 61.521 0.5 1 656 177 168 VAL CB C 34.268 0.5 1 657 177 168 VAL N N 122.383 0.5 1 658 178 169 GLY H H 9.04 0.05 1 659 178 169 GLY C C 171.654 0.5 1 660 178 169 GLY CA C 44.216 0.5 1 661 178 169 GLY N N 117.393 0.5 1 662 179 170 ALA H H 7.895 0.05 1 663 179 170 ALA C C 176.583 0.5 1 664 179 170 ALA CA C 50 0.5 1 665 179 170 ALA CB C 24.491 0.5 1 666 179 170 ALA N N 117.85 0.5 1 667 180 171 VAL H H 7.798 0.05 1 668 180 171 VAL C C 175.463 0.5 1 669 180 171 VAL CA C 58.274 0.5 1 670 180 171 VAL CB C 35.894 0.5 1 671 180 171 VAL N N 112.072 0.5 1 672 181 172 ASP H H 8.224 0.05 1 673 181 172 ASP C C 178.623 0.5 1 674 181 172 ASP CA C 52.163 0.5 1 675 181 172 ASP CB C 42.22 0.5 1 676 181 172 ASP N N 119.98 0.5 1 677 182 173 SER H H 8.186 0.05 1 678 182 173 SER C C 175.216 0.5 1 679 182 173 SER CA C 60.801 0.5 1 680 182 173 SER CB C 63.103 0.5 1 681 182 173 SER N N 112.828 0.5 1 682 183 174 SER H H 8.44 0.05 1 683 183 174 SER C C 173.899 0.5 1 684 183 174 SER CA C 57.871 0.5 1 685 183 174 SER CB C 64.236 0.5 1 686 183 174 SER N N 118.765 0.5 1 687 184 175 ASN H H 7.992 0.05 1 688 184 175 ASN C C 173.243 0.5 1 689 184 175 ASN CA C 55.275 0.5 1 690 184 175 ASN CB C 36.345 0.5 1 691 184 175 ASN N N 113.36 0.5 1 692 185 176 GLN H H 8.001 0.05 1 693 185 176 GLN C C 176.556 0.5 1 694 185 176 GLN CA C 54.713 0.5 1 695 185 176 GLN CB C 29.792 0.5 1 696 185 176 GLN N N 117.179 0.5 1 697 186 177 ARG H H 8.169 0.05 1 698 186 177 ARG C C 176.085 0.5 1 699 186 177 ARG CA C 56.758 0.5 1 700 186 177 ARG CB C 29.629 0.5 1 701 186 177 ARG N N 123.118 0.5 1 702 187 178 ALA H H 8.066 0.05 1 703 187 178 ALA CA C 50.927 0.5 1 704 187 178 ALA CB C 18.788 0.5 1 705 187 178 ALA N N 131.074 0.5 1 706 188 179 SER C C 174.989 0.5 1 707 188 179 SER CA C 61.57 0.5 1 708 188 179 SER CB C 62.684 0.5 1 709 189 180 PHE H H 6.017 0.05 1 710 189 180 PHE C C 176.405 0.5 1 711 189 180 PHE CA C 55.627 0.5 1 712 189 180 PHE CB C 39.469 0.5 1 713 189 180 PHE N N 111.458 0.5 1 714 190 181 SER H H 7.132 0.05 1 715 190 181 SER C C 175.124 0.5 1 716 190 181 SER CA C 60.333 0.5 1 717 190 181 SER CB C 63.653 0.5 1 718 190 181 SER N N 118.723 0.5 1 719 191 182 SER H H 8.479 0.05 1 720 191 182 SER C C 171.099 0.5 1 721 191 182 SER CA C 62.397 0.5 1 722 191 182 SER CB C 65.257 0.5 1 723 191 182 SER N N 127.017 0.5 1 724 192 183 VAL H H 7.331 0.05 1 725 192 183 VAL C C 173.257 0.5 1 726 192 183 VAL CA C 58.864 0.5 1 727 192 183 VAL CB C 34.12 0.5 1 728 192 183 VAL N N 110.187 0.5 1 729 193 184 GLY H H 7.75 0.05 1 730 193 184 GLY CA C 43.724 0.5 1 731 193 184 GLY N N 107.34 0.5 1 732 194 185 PRO C C 177.278 0.5 1 733 194 185 PRO CA C 63.963 0.5 1 734 194 185 PRO CB C 31.925 0.5 1 735 195 186 GLU H H 8.378 0.05 1 736 195 186 GLU C C 174.165 0.5 1 737 195 186 GLU CA C 57.214 0.5 1 738 195 186 GLU CB C 28.451 0.5 1 739 195 186 GLU N N 116.097 0.5 1 740 196 187 LEU H H 6.793 0.05 1 741 196 187 LEU C C 175.63 0.5 1 742 196 187 LEU CA C 55.428 0.5 1 743 196 187 LEU CB C 44.376 0.5 1 744 196 187 LEU N N 117.323 0.5 1 745 197 188 ASP H H 7.942 0.05 1 746 197 188 ASP C C 176.329 0.5 1 747 197 188 ASP CA C 58.034 0.5 1 748 197 188 ASP CB C 44.857 0.5 1 749 197 188 ASP N N 122.804 0.5 1 750 198 189 VAL H H 7.942 0.05 1 751 198 189 VAL C C 172.471 0.5 1 752 198 189 VAL CA C 58.655 0.5 1 753 198 189 VAL CB C 38.111 0.5 1 754 198 189 VAL N N 108.221 0.5 1 755 199 190 MET H H 8.386 0.05 1 756 199 190 MET C C 175.216 0.5 1 757 199 190 MET CA C 51.794 0.5 1 758 199 190 MET CB C 36.383 0.5 1 759 199 190 MET N N 113.813 0.5 1 760 200 191 ALA H H 8.444 0.05 1 761 200 191 ALA CA C 50.045 0.5 1 762 200 191 ALA CB C 20.936 0.5 1 763 200 191 ALA N N 118.732 0.5 1 764 203 194 VAL C C 174.911 0.5 1 765 203 194 VAL CA C 62.051 0.5 1 766 203 194 VAL CB C 34.203 0.5 1 767 204 195 SER H H 9.569 0.05 1 768 204 195 SER C C 172.976 0.5 1 769 204 195 SER CA C 59.13 0.5 1 770 204 195 SER CB C 61.202 0.5 1 771 204 195 SER N N 125.231 0.5 1 772 205 196 ILE H H 8.448 0.05 1 773 205 196 ILE C C 176.475 0.5 1 774 205 196 ILE CA C 57.601 0.5 1 775 205 196 ILE CB C 36.649 0.5 1 776 205 196 ILE N N 120.353 0.5 1 777 206 197 VAL H H 8.834 0.05 1 778 206 197 VAL C C 175.186 0.5 1 779 206 197 VAL CA C 63.178 0.5 1 780 206 197 VAL CB C 31.521 0.5 1 781 206 197 VAL N N 132.107 0.5 1 782 207 198 SER H H 8.169 0.05 1 783 207 198 SER C C 173.084 0.5 1 784 207 198 SER CA C 54.084 0.5 1 785 207 198 SER CB C 60.92 0.5 1 786 207 198 SER N N 120.836 0.5 1 787 208 199 THR H H 8.148 0.05 1 788 208 199 THR C C 173.499 0.5 1 789 208 199 THR CA C 60.778 0.5 1 790 208 199 THR CB C 70.089 0.5 1 791 208 199 THR N N 111.825 0.5 1 792 209 200 LEU H H 7.831 0.05 1 793 209 200 LEU CA C 50.874 0.5 1 794 209 200 LEU CB C 44.819 0.5 1 795 209 200 LEU N N 118.647 0.5 1 796 210 201 PRO C C 176.228 0.5 1 797 210 201 PRO CA C 63.483 0.5 1 798 210 201 PRO CB C 32.584 0.5 1 799 211 202 GLY H H 8.197 0.05 1 800 211 202 GLY C C 176.069 0.5 1 801 211 202 GLY CA C 46.427 0.5 1 802 211 202 GLY N N 109.835 0.5 1 803 212 203 ASN H H 8.364 0.05 1 804 212 203 ASN C C 173.786 0.5 1 805 212 203 ASN CA C 53.395 0.5 1 806 212 203 ASN CB C 36.139 0.5 1 807 212 203 ASN N N 115.816 0.5 1 808 213 204 LYS H H 6.838 0.05 1 809 213 204 LYS C C 175.797 0.5 1 810 213 204 LYS CA C 54.944 0.5 1 811 213 204 LYS CB C 37.664 0.5 1 812 213 204 LYS N N 116.267 0.5 1 813 214 205 TYR H H 8.319 0.05 1 814 214 205 TYR C C 176.03 0.5 1 815 214 205 TYR CA C 57.629 0.5 1 816 214 205 TYR CB C 43.544 0.5 1 817 214 205 TYR N N 119.615 0.5 1 818 215 206 GLY H H 8.973 0.05 1 819 215 206 GLY C C 172.948 0.5 1 820 215 206 GLY CA C 46.103 0.5 1 821 215 206 GLY N N 105.612 0.5 1 822 216 207 ALA H H 8.802 0.05 1 823 216 207 ALA C C 180.575 0.5 1 824 216 207 ALA CA C 51.184 0.5 1 825 216 207 ALA CB C 20.629 0.5 1 826 216 207 ALA N N 124.491 0.5 1 827 217 208 LYS H H 8.229 0.05 1 828 217 208 LYS C C 175.269 0.5 1 829 217 208 LYS CA C 56.326 0.5 1 830 217 208 LYS CB C 39.881 0.5 1 831 217 208 LYS N N 120.506 0.5 1 832 218 209 SER H H 8.303 0.05 1 833 218 209 SER C C 172.925 0.5 1 834 218 209 SER CA C 56.719 0.5 1 835 218 209 SER CB C 66.592 0.5 1 836 218 209 SER N N 114.863 0.5 1 837 219 210 GLY H H 8.923 0.05 1 838 219 210 GLY CA C 45.95 0.5 1 839 219 210 GLY N N 110.691 0.5 1 840 220 211 THR CA C 66.957 0.5 1 841 220 211 THR CB C 69.719 0.5 1 842 220 211 THR C C 178.274 0.5 1 843 221 212 ALA H H 8.516 0.05 1 844 221 212 ALA C C 176.012 0.5 1 845 221 212 ALA CA C 53.964 0.5 1 846 221 212 ALA CB C 26.266 0.5 1 847 221 212 ALA N N 121.722 0.5 1 848 222 213 MET H H 7.608 0.05 1 849 222 213 MET C C 176.34 0.5 1 850 222 213 MET CA C 57.966 0.5 1 851 222 213 MET CB C 33.887 0.5 1 852 222 213 MET N N 118.983 0.5 1 853 223 214 ALA H H 7.036 0.05 1 854 223 214 ALA C C 180.716 0.5 1 855 223 214 ALA CA C 54.205 0.5 1 856 223 214 ALA CB C 21.014 0.5 1 857 223 214 ALA N N 123.32 0.5 1 858 224 215 SER H H 7.512 0.05 1 859 224 215 SER CA C 64.651 0.5 1 860 224 215 SER CB C 61.894 0.5 1 861 224 215 SER N N 111.866 0.5 1 862 225 216 PRO C C 179.227 0.5 1 863 225 216 PRO CA C 65.432 0.5 1 864 225 216 PRO CB C 32.859 0.5 1 865 226 217 HIS H H 7.616 0.05 1 866 226 217 HIS C C 177.126 0.5 1 867 226 217 HIS CA C 62.578 0.5 1 868 226 217 HIS CB C 28.305 0.5 1 869 226 217 HIS N N 116.899 0.5 1 870 227 218 VAL H H 7.385 0.05 1 871 227 218 VAL C C 177.185 0.5 1 872 227 218 VAL CA C 65.38 0.5 1 873 227 218 VAL CB C 30.471 0.5 1 874 227 218 VAL N N 119.192 0.5 1 875 228 219 ALA H H 8.359 0.05 1 876 228 219 ALA C C 179.307 0.5 1 877 228 219 ALA CA C 55.754 0.5 1 878 228 219 ALA CB C 18.397 0.5 1 879 228 219 ALA N N 123.007 0.5 1 880 229 220 GLY H H 8.55 0.05 1 881 229 220 GLY C C 175.196 0.5 1 882 229 220 GLY CA C 47.04 0.5 1 883 229 220 GLY N N 102.507 0.5 1 884 230 221 ALA H H 7.941 0.05 1 885 230 221 ALA C C 178.78 0.5 1 886 230 221 ALA CA C 55.691 0.5 1 887 230 221 ALA CB C 19.464 0.5 1 888 230 221 ALA N N 125.095 0.5 1 889 231 222 ALA H H 8.364 0.05 1 890 231 222 ALA C C 178.09 0.5 1 891 231 222 ALA CA C 55.401 0.5 1 892 231 222 ALA CB C 18.145 0.5 1 893 231 222 ALA N N 118.878 0.5 1 894 232 223 ALA H H 7.482 0.05 1 895 232 223 ALA C C 179.26 0.5 1 896 232 223 ALA CA C 55.13 0.5 1 897 232 223 ALA CB C 17.16 0.5 1 898 232 223 ALA N N 117.982 0.5 1 899 233 224 LEU H H 8.109 0.05 1 900 233 224 LEU C C 180.428 0.5 1 901 233 224 LEU CA C 58.103 0.5 1 902 233 224 LEU CB C 42.324 0.5 1 903 233 224 LEU N N 117.45 0.5 1 904 234 225 ILE H H 8.149 0.05 1 905 234 225 ILE C C 177.611 0.5 1 906 234 225 ILE CA C 66.611 0.5 1 907 234 225 ILE CB C 38.114 0.5 1 908 234 225 ILE N N 119.515 0.5 1 909 235 226 LEU H H 8.105 0.05 1 910 235 226 LEU C C 177.606 0.5 1 911 235 226 LEU CA C 57.087 0.5 1 912 235 226 LEU CB C 42.877 0.5 1 913 235 226 LEU N N 119.377 0.5 1 914 236 227 SER H H 7.696 0.05 1 915 236 227 SER C C 174.716 0.5 1 916 236 227 SER CA C 60.536 0.5 1 917 236 227 SER CB C 64.272 0.5 1 918 236 227 SER N N 112.525 0.5 1 919 237 228 LYS H H 6.994 0.05 1 920 237 228 LYS C C 174.917 0.5 1 921 237 228 LYS CA C 57.961 0.5 1 922 237 228 LYS CB C 33.911 0.5 1 923 237 228 LYS N N 123.356 0.5 1 924 238 229 HIS H H 7.986 0.05 1 925 238 229 HIS CA C 51.598 0.5 1 926 238 229 HIS CB C 27.15 0.5 1 927 238 229 HIS N N 116.518 0.5 1 928 239 230 PRO C C 177.353 0.5 1 929 239 230 PRO CA C 64.824 0.5 1 930 239 230 PRO CB C 31.942 0.5 1 931 240 231 ASN H H 8.323 0.05 1 932 240 231 ASN C C 176.306 0.5 1 933 240 231 ASN CA C 52.775 0.5 1 934 240 231 ASN CB C 38.135 0.5 1 935 240 231 ASN N N 112.264 0.5 1 936 241 232 TRP H H 7.971 0.05 1 937 241 232 TRP C C 176.236 0.5 1 938 241 232 TRP CA C 56.591 0.5 1 939 241 232 TRP CB C 29.841 0.5 1 940 241 232 TRP N N 123.94 0.5 1 941 242 233 THR H H 8.319 0.05 1 942 242 233 THR C C 175.713 0.5 1 943 242 233 THR CA C 60.01 0.5 1 944 242 233 THR CB C 72.221 0.5 1 945 242 233 THR N N 110.156 0.5 1 946 243 234 ASN H H 9.181 0.05 1 947 243 234 ASN C C 177.651 0.5 1 948 243 234 ASN CA C 56.479 0.5 1 949 243 234 ASN CB C 35.518 0.5 1 950 243 234 ASN N N 119.788 0.5 1 951 244 235 THR H H 7.808 0.05 1 952 244 235 THR C C 176.726 0.5 1 953 244 235 THR CA C 65.672 0.5 1 954 244 235 THR CB C 68.349 0.5 1 955 244 235 THR N N 117.045 0.5 1 956 245 236 GLN H H 7.488 0.05 1 957 245 236 GLN C C 178.801 0.5 1 958 245 236 GLN CA C 59.063 0.5 1 959 245 236 GLN CB C 29.105 0.5 1 960 245 236 GLN N N 123.755 0.5 1 961 246 237 VAL H H 8.577 0.05 1 962 246 237 VAL C C 174.998 0.5 1 963 246 237 VAL CA C 67.488 0.5 1 964 246 237 VAL CB C 31.865 0.5 1 965 246 237 VAL N N 120.854 0.5 1 966 247 238 ARG H H 8.404 0.05 1 967 247 238 ARG C C 177.381 0.5 1 968 247 238 ARG CA C 60.994 0.5 1 969 247 238 ARG CB C 29.89 0.5 1 970 247 238 ARG N N 118.364 0.5 1 971 248 239 SER H H 8.289 0.05 1 972 248 239 SER C C 176.451 0.5 1 973 248 239 SER CA C 61.953 0.5 1 974 248 239 SER CB C 62.815 0.5 1 975 248 239 SER N N 113.091 0.5 1 976 249 240 SER H H 8.048 0.05 1 977 249 240 SER C C 177.406 0.5 1 978 249 240 SER CA C 62.852 0.5 1 979 249 240 SER CB C 60.172 0.5 1 980 249 240 SER N N 116.602 0.5 1 981 250 241 LEU H H 7.784 0.05 1 982 250 241 LEU C C 179.012 0.5 1 983 250 241 LEU CA C 57.648 0.5 1 984 250 241 LEU CB C 43.28 0.5 1 985 250 241 LEU N N 120.904 0.5 1 986 251 242 GLU H H 8.226 0.05 1 987 251 242 GLU C C 177.42 0.5 1 988 251 242 GLU CA C 60.091 0.5 1 989 251 242 GLU CB C 30.566 0.5 1 990 251 242 GLU N N 115.44 0.5 1 991 252 243 ASN H H 8.267 0.05 1 992 252 243 ASN C C 176.695 0.5 1 993 252 243 ASN CA C 54.533 0.5 1 994 252 243 ASN CB C 39.272 0.5 1 995 252 243 ASN N N 112.787 0.5 1 996 253 244 THR H H 7.069 0.05 1 997 253 244 THR C C 173.804 0.5 1 998 253 244 THR CA C 61.335 0.5 1 999 253 244 THR CB C 69.109 0.5 1 1000 253 244 THR N N 106.835 0.5 1 1001 254 245 THR H H 6.757 0.05 1 1002 254 245 THR C C 176.549 0.5 1 1003 254 245 THR CA C 61.222 0.5 1 1004 254 245 THR CB C 70.223 0.5 1 1005 254 245 THR N N 110.04 0.5 1 1006 255 246 THR H H 9.021 0.05 1 1007 255 246 THR C C 173.967 0.5 1 1008 255 246 THR CA C 62.263 0.5 1 1009 255 246 THR CB C 70.129 0.5 1 1010 255 246 THR N N 118.298 0.5 1 1011 256 247 LYS H H 8.645 0.05 1 1012 256 247 LYS C C 176.429 0.5 1 1013 256 247 LYS CA C 58.219 0.5 1 1014 256 247 LYS CB C 32.178 0.5 1 1015 256 247 LYS N N 130.611 0.5 1 1016 257 248 LEU H H 7.575 0.05 1 1017 257 248 LEU C C 175.429 0.5 1 1018 257 248 LEU CA C 53.806 0.5 1 1019 257 248 LEU CB C 44.349 0.5 1 1020 257 248 LEU N N 123.32 0.5 1 1021 258 249 GLY H H 6.078 0.05 1 1022 258 249 GLY CA C 44.64 0.5 1 1023 258 249 GLY N N 104.504 0.5 1 1024 259 250 ASP C C 175.269 0.5 1 1025 259 250 ASP CA C 57.343 0.5 1 1026 259 250 ASP CB C 42.115 0.5 1 1027 260 251 SER H H 8.85 0.05 1 1028 260 251 SER C C 176.662 0.5 1 1029 260 251 SER CA C 65.432 0.5 1 1030 260 251 SER CB C 63.189 0.5 1 1031 260 251 SER N N 115.606 0.5 1 1032 261 252 PHE H H 8.809 0.05 1 1033 261 252 PHE C C 172.875 0.5 1 1034 261 252 PHE CA C 61.891 0.5 1 1035 261 252 PHE CB C 39.931 0.5 1 1036 261 252 PHE N N 126.172 0.5 1 1037 262 253 TYR H H 7.089 0.05 1 1038 262 253 TYR C C 175.99 0.5 1 1039 262 253 TYR CA C 58.711 0.5 1 1040 262 253 TYR CB C 41.747 0.5 1 1041 262 253 TYR N N 108.785 0.5 1 1042 263 254 TYR H H 7.882 0.05 1 1043 263 254 TYR C C 175.378 0.5 1 1044 263 254 TYR CA C 58.63 0.5 1 1045 263 254 TYR CB C 42.199 0.5 1 1046 263 254 TYR N N 113.731 0.5 1 1047 264 255 GLY H H 8.323 0.05 1 1048 264 255 GLY C C 175.361 0.5 1 1049 264 255 GLY CA C 46.616 0.5 1 1050 264 255 GLY N N 110.198 0.5 1 1051 265 256 LYS H H 8.964 0.05 1 1052 265 256 LYS C C 177.293 0.5 1 1053 265 256 LYS CA C 57.663 0.5 1 1054 265 256 LYS CB C 32.618 0.5 1 1055 265 256 LYS N N 123.662 0.5 1 1056 266 257 GLY H H 8.245 0.05 1 1057 266 257 GLY C C 172.128 0.5 1 1058 266 257 GLY CA C 43.89 0.5 1 1059 266 257 GLY N N 107.719 0.5 1 1060 267 258 LEU H H 8.246 0.05 1 1061 267 258 LEU C C 176.868 0.5 1 1062 267 258 LEU CA C 54.094 0.5 1 1063 267 258 LEU CB C 45.461 0.5 1 1064 267 258 LEU N N 121.474 0.5 1 1065 268 259 ILE H H 7.086 0.05 1 1066 268 259 ILE C C 173.743 0.5 1 1067 268 259 ILE CA C 62.86 0.5 1 1068 268 259 ILE CB C 39.865 0.5 1 1069 268 259 ILE N N 117.202 0.5 1 1070 269 260 ASN H H 9.273 0.05 1 1071 269 260 ASN C C 175.687 0.5 1 1072 269 260 ASN CA C 51.57 0.5 1 1073 269 260 ASN CB C 39.542 0.5 1 1074 269 260 ASN N N 120.206 0.5 1 1075 270 261 VAL H H 8.787 0.05 1 1076 270 261 VAL C C 175.278 0.5 1 1077 270 261 VAL CA C 65.25 0.5 1 1078 270 261 VAL CB C 32.658 0.5 1 1079 270 261 VAL N N 120.446 0.5 1 1080 271 262 GLU H H 7.245 0.05 1 1081 271 262 GLU C C 178.563 0.5 1 1082 271 262 GLU CA C 59.91 0.5 1 1083 271 262 GLU CB C 29.854 0.5 1 1084 271 262 GLU N N 120.949 0.5 1 1085 272 263 ALA H H 7.255 0.05 1 1086 272 263 ALA C C 180.651 0.5 1 1087 272 263 ALA CA C 53.994 0.5 1 1088 272 263 ALA CB C 19.763 0.5 1 1089 272 263 ALA N N 120.774 0.5 1 1090 273 264 ALA H H 8.238 0.05 1 1091 273 264 ALA C C 178.741 0.5 1 1092 273 264 ALA CA C 54.852 0.5 1 1093 273 264 ALA CB C 20.293 0.5 1 1094 273 264 ALA N N 120.503 0.5 1 1095 274 265 ALA H H 7.736 0.05 1 1096 274 265 ALA C C 177.049 0.5 1 1097 274 265 ALA CA C 52.165 0.5 1 1098 274 265 ALA CB C 20.306 0.5 1 1099 274 265 ALA N N 114.717 0.5 1 1100 275 266 GLN H H 7.376 0.05 1 1101 275 266 GLN CA C 59.462 0.5 1 1102 275 266 GLN CB C 29.326 0.5 1 1103 275 266 GLN N N 122.725 0.5 1 stop_ save_