data_50139 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H,13C, and 15N Chemical Shift Assignments for the S. typhimurium tryptophan synthase alpha subunit ; _BMRB_accession_number 50139 _BMRB_flat_file_name bmr50139.str _Entry_type original _Submission_date 2019-12-20 _Accession_date 2019-12-20 _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 Mueller Leonard J. . 2 Sakhrani Varun V. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 233 "13C chemical shifts" 634 "15N chemical shifts" 233 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-06-09 original BMRB . stop_ _Original_release_date 2019-12-23 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone Assignments and Conformational Dynamics in the S. Typhimurium Tryptophan Synthase alpha-Subunit From Solution-State NMR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32415580 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sakhrani Varun V. . 2 Hilario Eduardo . . 3 Caulkins Bethany G. . 4 Hatcher-Skeers Mary E. . 5 Fan Li . . 6 Dunn Michael F. . 7 Mueller Leonard J. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . loop_ _Keyword 'S.typhimurium, tryptophan synthase, alpha-subunit' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name TS_alpha_subunit _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TS_alpha_subunit $entity_1 stop_ _System_molecular_weight 28500 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'single chain polymer' save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 28500 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 268 _Mol_residue_sequence ; MERYENLFAQLNDRREGAFV PFVTLGDPGIEQSLKIIDTL IDAGADALELGVPFSDPLAD GPTIQNANLRAFAAGVTPAQ CFEMLALIREKHPTIPIGLL MYANLVFNNGIDAFYARCEQ VGVDSVLVADVPVEESAPFR QAALRHNIAPIFICPPNADD DLLRQVASYGRGYTYLLSRS GVTGAENRGALPLHHLIEKL KEYHAAPALQGFGISSPEQV SAAVRAGAAGAISGSAIVKI IEKNLASPKQMLAELRSFVS AMKAASRA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 ARG 4 TYR 5 GLU 6 ASN 7 LEU 8 PHE 9 ALA 10 GLN 11 LEU 12 ASN 13 ASP 14 ARG 15 ARG 16 GLU 17 GLY 18 ALA 19 PHE 20 VAL 21 PRO 22 PHE 23 VAL 24 THR 25 LEU 26 GLY 27 ASP 28 PRO 29 GLY 30 ILE 31 GLU 32 GLN 33 SER 34 LEU 35 LYS 36 ILE 37 ILE 38 ASP 39 THR 40 LEU 41 ILE 42 ASP 43 ALA 44 GLY 45 ALA 46 ASP 47 ALA 48 LEU 49 GLU 50 LEU 51 GLY 52 VAL 53 PRO 54 PHE 55 SER 56 ASP 57 PRO 58 LEU 59 ALA 60 ASP 61 GLY 62 PRO 63 THR 64 ILE 65 GLN 66 ASN 67 ALA 68 ASN 69 LEU 70 ARG 71 ALA 72 PHE 73 ALA 74 ALA 75 GLY 76 VAL 77 THR 78 PRO 79 ALA 80 GLN 81 CYS 82 PHE 83 GLU 84 MET 85 LEU 86 ALA 87 LEU 88 ILE 89 ARG 90 GLU 91 LYS 92 HIS 93 PRO 94 THR 95 ILE 96 PRO 97 ILE 98 GLY 99 LEU 100 LEU 101 MET 102 TYR 103 ALA 104 ASN 105 LEU 106 VAL 107 PHE 108 ASN 109 ASN 110 GLY 111 ILE 112 ASP 113 ALA 114 PHE 115 TYR 116 ALA 117 ARG 118 CYS 119 GLU 120 GLN 121 VAL 122 GLY 123 VAL 124 ASP 125 SER 126 VAL 127 LEU 128 VAL 129 ALA 130 ASP 131 VAL 132 PRO 133 VAL 134 GLU 135 GLU 136 SER 137 ALA 138 PRO 139 PHE 140 ARG 141 GLN 142 ALA 143 ALA 144 LEU 145 ARG 146 HIS 147 ASN 148 ILE 149 ALA 150 PRO 151 ILE 152 PHE 153 ILE 154 CYS 155 PRO 156 PRO 157 ASN 158 ALA 159 ASP 160 ASP 161 ASP 162 LEU 163 LEU 164 ARG 165 GLN 166 VAL 167 ALA 168 SER 169 TYR 170 GLY 171 ARG 172 GLY 173 TYR 174 THR 175 TYR 176 LEU 177 LEU 178 SER 179 ARG 180 SER 181 GLY 182 VAL 183 THR 184 GLY 185 ALA 186 GLU 187 ASN 188 ARG 189 GLY 190 ALA 191 LEU 192 PRO 193 LEU 194 HIS 195 HIS 196 LEU 197 ILE 198 GLU 199 LYS 200 LEU 201 LYS 202 GLU 203 TYR 204 HIS 205 ALA 206 ALA 207 PRO 208 ALA 209 LEU 210 GLN 211 GLY 212 PHE 213 GLY 214 ILE 215 SER 216 SER 217 PRO 218 GLU 219 GLN 220 VAL 221 SER 222 ALA 223 ALA 224 VAL 225 ARG 226 ALA 227 GLY 228 ALA 229 ALA 230 GLY 231 ALA 232 ILE 233 SER 234 GLY 235 SER 236 ALA 237 ILE 238 VAL 239 LYS 240 ILE 241 ILE 242 GLU 243 LYS 244 ASN 245 LEU 246 ALA 247 SER 248 PRO 249 LYS 250 GLN 251 MET 252 LEU 253 ALA 254 GLU 255 LEU 256 ARG 257 SER 258 PHE 259 VAL 260 SER 261 ALA 262 MET 263 LYS 264 ALA 265 ALA 266 SER 267 ARG 268 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 6OSO . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'Salmonella typhimurium' 28901 Bacteria . Salmonella enterica stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pEBA-10 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '2H 13C 15N sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 750 uM '[U-2H; U-13C; U-15N]' 'sodium phosphate' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'Bruker Avance III 700' 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_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; The protein concentration was 750uM in a 50 mM sodium phosphate buffer, pH 6.5, containing 1mM DTT, 1mM Na 2 EDTA, 0.05% NaN3, and 10% (v/v) D2O. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 internal 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details 'TROSY offset: amide protons and nitrogens.' loop_ _Software_label $software_1 $software_2 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D HNCACB' '3D HN(CO)CACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name TS_alpha_subunit _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 1 1 MET C C 175.030 . 1 2 2 2 GLU H H 7.679 . 1 3 2 2 GLU C C 177.180 . 1 4 2 2 GLU CA C 56.634 . 1 5 2 2 GLU CB C 28.689 . 1 6 2 2 GLU N N 121.161 . 1 7 3 3 ARG H H 9.116 . 1 8 3 3 ARG C C 181.030 . 1 9 3 3 ARG CA C 61.069 . 1 10 3 3 ARG N N 120.721 . 1 11 4 4 TYR H H 8.819 . 1 12 4 4 TYR C C 176.602 . 1 13 4 4 TYR CA C 63.247 . 1 14 4 4 TYR CB C 36.322 . 1 15 4 4 TYR N N 118.056 . 1 16 5 5 GLU H H 8.614 . 1 17 5 5 GLU C C 180.348 . 1 18 5 5 GLU CA C 59.979 . 1 19 5 5 GLU CB C 28.204 . 1 20 5 5 GLU N N 121.475 . 1 21 6 6 ASN H H 8.198 . 1 22 6 6 ASN C C 177.069 . 1 23 6 6 ASN CA C 55.849 . 1 24 6 6 ASN CB C 38.160 . 1 25 6 6 ASN N N 117.225 . 1 26 7 7 LEU H H 7.519 . 1 27 7 7 LEU C C 178.416 . 1 28 7 7 LEU CA C 57.858 . 1 29 7 7 LEU CB C 40.172 . 1 30 7 7 LEU N N 121.428 . 1 31 8 8 PHE H H 8.772 . 1 32 8 8 PHE C C 178.873 . 1 33 8 8 PHE CA C 62.181 . 1 34 8 8 PHE CB C 36.679 . 1 35 8 8 PHE N N 116.044 . 1 36 9 9 ALA H H 8.018 . 1 37 9 9 ALA C C 180.555 . 1 38 9 9 ALA CA C 55.217 . 1 39 9 9 ALA CB C 17.299 . 1 40 9 9 ALA N N 123.317 . 1 41 10 10 GLN H H 7.800 . 1 42 10 10 GLN C C 179.535 . 1 43 10 10 GLN CA C 58.445 . 1 44 10 10 GLN CB C 27.695 . 1 45 10 10 GLN N N 119.414 . 1 46 11 11 LEU H H 8.730 . 1 47 11 11 LEU C C 180.101 . 1 48 11 11 LEU CA C 57.733 . 1 49 11 11 LEU CB C 38.752 . 1 50 11 11 LEU N N 119.627 . 1 51 12 12 ASN H H 8.337 . 1 52 12 12 ASN C C 179.136 . 1 53 12 12 ASN CA C 56.369 . 1 54 12 12 ASN CB C 38.213 . 1 55 12 12 ASN N N 118.330 . 1 56 13 13 ASP H H 7.661 . 1 57 13 13 ASP C C 177.678 . 1 58 13 13 ASP CA C 57.026 . 1 59 13 13 ASP CB C 40.312 . 1 60 13 13 ASP N N 120.971 . 1 61 14 14 ARG H H 7.542 . 1 62 14 14 ARG C C 175.039 . 1 63 14 14 ARG CA C 56.065 . 1 64 14 14 ARG CB C 30.458 . 1 65 14 14 ARG N N 116.417 . 1 66 15 15 ARG H H 7.920 . 1 67 15 15 ARG C C 174.659 . 1 68 15 15 ARG CA C 56.417 . 1 69 15 15 ARG CB C 25.863 . 1 70 15 15 ARG N N 118.550 . 1 71 16 16 GLU H H 7.990 . 1 72 16 16 GLU C C 175.153 . 1 73 16 16 GLU CA C 54.052 . 1 74 16 16 GLU CB C 34.248 . 1 75 16 16 GLU N N 117.976 . 1 76 17 17 GLY H H 8.406 . 1 77 17 17 GLY C C 171.240 . 1 78 17 17 GLY CA C 43.451 . 1 79 17 17 GLY N N 107.936 . 1 80 18 18 ALA H H 8.925 . 1 81 18 18 ALA C C 177.526 . 1 82 18 18 ALA CA C 49.960 . 1 83 18 18 ALA CB C 19.186 . 1 84 18 18 ALA N N 121.442 . 1 85 19 19 PHE H H 10.238 . 1 86 19 19 PHE C C 173.319 . 1 87 19 19 PHE CA C 57.932 . 1 88 19 19 PHE CB C 40.844 . 1 89 19 19 PHE N N 122.632 . 1 90 20 20 VAL H H 7.637 . 1 91 20 20 VAL CB C 32.998 . 1 92 20 20 VAL N N 129.233 . 1 93 21 21 PRO C C 172.320 . 1 94 21 21 PRO CA C 64.287 . 1 95 21 21 PRO CB C 30.583 . 1 96 22 22 PHE H H 7.383 . 1 97 22 22 PHE C C 175.347 . 1 98 22 22 PHE CB C 38.856 . 1 99 22 22 PHE N N 118.232 . 1 100 23 23 VAL H H 6.596 . 1 101 23 23 VAL C C 177.121 . 1 102 23 23 VAL CA C 58.650 . 1 103 23 23 VAL N N 120.884 . 1 104 24 24 THR H H 7.526 . 1 105 24 24 THR C C 175.312 . 1 106 24 24 THR CA C 63.379 . 1 107 24 24 THR CB C 68.654 . 1 108 24 24 THR N N 115.657 . 1 109 25 25 LEU H H 9.156 . 1 110 25 25 LEU C C 174.617 . 1 111 25 25 LEU CA C 56.246 . 1 112 25 25 LEU CB C 41.824 . 1 113 25 25 LEU N N 131.548 . 1 114 26 26 GLY H H 7.784 . 1 115 26 26 GLY C C 170.115 . 1 116 26 26 GLY CA C 44.928 . 1 117 26 26 GLY N N 104.945 . 1 118 27 27 ASP H H 6.892 . 1 119 27 27 ASP N N 114.828 . 1 120 28 28 PRO C C 176.594 . 1 121 28 28 PRO CA C 64.500 . 1 122 28 28 PRO CB C 32.258 . 1 123 29 29 GLY H H 7.076 . 1 124 29 29 GLY C C 173.308 . 1 125 29 29 GLY CA C 47.131 . 1 126 29 29 GLY N N 111.459 . 1 127 30 30 ILE H H 8.859 . 1 128 30 30 ILE C C 176.969 . 1 129 30 30 ILE CA C 66.600 . 1 130 30 30 ILE CB C 36.817 . 1 131 30 30 ILE N N 122.039 . 1 132 31 31 GLU H H 8.463 . 1 133 31 31 GLU C C 180.101 . 1 134 31 31 GLU CA C 59.757 . 1 135 31 31 GLU CB C 28.183 . 1 136 31 31 GLU N N 118.403 . 1 137 32 32 GLN H H 8.809 . 1 138 32 32 GLN C C 177.870 . 1 139 32 32 GLN CA C 57.411 . 1 140 32 32 GLN CB C 26.728 . 1 141 32 32 GLN N N 118.863 . 1 142 33 33 SER H H 8.151 . 1 143 33 33 SER C C 173.555 . 1 144 33 33 SER CB C 62.648 . 1 145 33 33 SER N N 114.945 . 1 146 34 34 LEU H H 7.556 . 1 147 34 34 LEU C C 179.824 . 1 148 34 34 LEU CA C 58.369 . 1 149 34 34 LEU CB C 40.228 . 1 150 34 34 LEU N N 123.716 . 1 151 35 35 LYS H H 7.447 . 1 152 35 35 LYS C C 180.714 . 1 153 35 35 LYS CA C 59.015 . 1 154 35 35 LYS CB C 31.572 . 1 155 35 35 LYS N N 118.950 . 1 156 36 36 ILE H H 8.918 . 1 157 36 36 ILE C C 177.528 . 1 158 36 36 ILE CA C 65.759 . 1 159 36 36 ILE CB C 36.939 . 1 160 36 36 ILE N N 125.710 . 1 161 37 37 ILE H H 8.454 . 1 162 37 37 ILE CB C 36.700 . 1 163 37 37 ILE N N 121.735 . 1 164 38 38 ASP H H 7.850 . 1 165 38 38 ASP CA C 51.616 . 1 166 38 38 ASP CB C 40.106 . 1 167 38 38 ASP N N 122.293 . 1 168 39 39 THR H H 8.476 . 1 169 39 39 THR C C 175.623 . 1 170 39 39 THR CB C 67.646 . 1 171 39 39 THR N N 119.145 . 1 172 40 40 LEU H H 8.593 . 1 173 40 40 LEU N N 121.128 . 1 174 41 41 ILE H H 8.026 . 1 175 41 41 ILE C C 179.779 . 1 176 41 41 ILE CA C 65.111 . 1 177 41 41 ILE CB C 37.445 . 1 178 41 41 ILE N N 122.289 . 1 179 42 42 ASP H H 8.447 . 1 180 42 42 ASP C C 177.530 . 1 181 42 42 ASP CA C 57.064 . 1 182 42 42 ASP CB C 41.017 . 1 183 42 42 ASP N N 122.834 . 1 184 43 43 ALA H H 8.032 . 1 185 43 43 ALA C C 176.894 . 1 186 43 43 ALA CA C 52.073 . 1 187 43 43 ALA CB C 19.896 . 1 188 43 43 ALA N N 117.435 . 1 189 44 44 GLY H H 7.444 . 1 190 44 44 GLY C C 173.922 . 1 191 44 44 GLY CA C 44.076 . 1 192 44 44 GLY N N 103.038 . 1 193 45 45 ALA H H 8.041 . 1 194 45 45 ALA C C 171.109 . 1 195 45 45 ALA CA C 53.278 . 1 196 45 45 ALA CB C 18.253 . 1 197 45 45 ALA N N 121.279 . 1 198 46 46 ASP H H 8.462 . 1 199 46 46 ASP CA C 56.408 . 1 200 46 46 ASP CB C 43.601 . 1 201 46 46 ASP N N 117.580 . 1 202 47 47 ALA H H 7.718 . 1 203 47 47 ALA C C 173.890 . 1 204 47 47 ALA CA C 49.183 . 1 205 47 47 ALA CB C 19.917 . 1 206 47 47 ALA N N 113.939 . 1 207 48 48 LEU H H 8.049 . 1 208 48 48 LEU C C 176.587 . 1 209 48 48 LEU CA C 53.060 . 1 210 48 48 LEU CB C 45.333 . 1 211 48 48 LEU N N 114.406 . 1 212 49 49 GLU H H 8.275 . 1 213 49 49 GLU C C 172.386 . 1 214 49 49 GLU CA C 53.996 . 1 215 49 49 GLU CB C 28.512 . 1 216 49 49 GLU N N 127.676 . 1 217 50 50 LEU H H 9.164 . 1 218 50 50 LEU C C 176.147 . 1 219 50 50 LEU CA C 51.921 . 1 220 50 50 LEU CB C 42.795 . 1 221 50 50 LEU N N 125.905 . 1 222 51 51 GLY H H 8.912 . 1 223 51 51 GLY CA C 44.280 . 1 224 51 51 GLY N N 110.790 . 1 225 53 53 PRO C C 178.098 . 1 226 54 54 PHE H H 7.503 . 1 227 54 54 PHE CA C 62.046 . 1 228 54 54 PHE N N 119.926 . 1 229 55 55 SER H H 8.248 . 1 230 55 55 SER N N 117.227 . 1 231 57 57 PRO C C 176.783 . 1 232 57 57 PRO CA C 63.016 . 1 233 57 57 PRO CB C 30.895 . 1 234 58 58 LEU H H 8.091 . 1 235 58 58 LEU C C 177.006 . 1 236 58 58 LEU CA C 54.168 . 1 237 58 58 LEU CB C 41.320 . 1 238 58 58 LEU N N 120.912 . 1 239 59 59 ALA H H 7.846 . 1 240 59 59 ALA CA C 52.418 . 1 241 59 59 ALA CB C 18.923 . 1 242 59 59 ALA N N 124.222 . 1 243 60 60 ASP H H 8.152 . 1 244 60 60 ASP C C 176.157 . 1 245 60 60 ASP CA C 54.348 . 1 246 60 60 ASP CB C 41.164 . 1 247 60 60 ASP N N 117.424 . 1 248 61 61 GLY H H 7.912 . 1 249 61 61 GLY CA C 45.000 . 1 250 61 61 GLY N N 108.551 . 1 251 62 62 PRO C C 178.101 . 1 252 62 62 PRO CA C 64.566 . 1 253 62 62 PRO CB C 31.104 . 1 254 63 63 THR H H 8.001 . 1 255 63 63 THR C C 177.156 . 1 256 63 63 THR CA C 67.894 . 1 257 63 63 THR CB C 67.894 . 1 258 63 63 THR N N 114.969 . 1 259 64 64 ILE H H 7.850 . 1 260 64 64 ILE C C 178.001 . 1 261 64 64 ILE CA C 62.181 . 1 262 64 64 ILE CB C 35.587 . 1 263 64 64 ILE N N 122.293 . 1 264 65 65 GLN H H 8.201 . 1 265 65 65 GLN C C 178.829 . 1 266 65 65 GLN CA C 58.940 . 1 267 65 65 GLN CB C 27.531 . 1 268 65 65 GLN N N 121.960 . 1 269 66 66 ASN H H 8.430 . 1 270 66 66 ASN C C 177.368 . 1 271 66 66 ASN CA C 55.242 . 1 272 66 66 ASN CB C 37.013 . 1 273 66 66 ASN N N 117.220 . 1 274 67 67 ALA H H 7.361 . 1 275 67 67 ALA C C 176.286 . 1 276 67 67 ALA CA C 55.038 . 1 277 67 67 ALA CB C 18.941 . 1 278 67 67 ALA N N 125.436 . 1 279 68 68 ASN H H 7.632 . 1 280 68 68 ASN C C 177.039 . 1 281 68 68 ASN CA C 56.000 . 1 282 68 68 ASN CB C 37.966 . 1 283 68 68 ASN N N 116.158 . 1 284 69 69 LEU H H 7.895 . 1 285 69 69 LEU C C 180.593 . 1 286 69 69 LEU CA C 57.896 . 1 287 69 69 LEU CB C 40.310 . 1 288 69 69 LEU N N 118.574 . 1 289 70 70 ARG H H 8.139 . 1 290 70 70 ARG C C 179.905 . 1 291 70 70 ARG CA C 60.542 . 1 292 70 70 ARG CB C 30.979 . 1 293 70 70 ARG N N 121.366 . 1 294 71 71 ALA H H 7.773 . 1 295 71 71 ALA C C 180.063 . 1 296 71 71 ALA CA C 54.655 . 1 297 71 71 ALA CB C 17.236 . 1 298 71 71 ALA N N 123.476 . 1 299 72 72 PHE H H 8.457 . 1 300 72 72 PHE C C 181.061 . 1 301 72 72 PHE CA C 60.257 . 1 302 72 72 PHE CB C 37.747 . 1 303 72 72 PHE N N 117.665 . 1 304 73 73 ALA H H 8.553 . 1 305 73 73 ALA C C 179.090 . 1 306 73 73 ALA CA C 54.324 . 1 307 73 73 ALA CB C 16.931 . 1 308 73 73 ALA N N 125.027 . 1 309 74 74 ALA H H 7.572 . 1 310 74 74 ALA C C 177.896 . 1 311 74 74 ALA CA C 51.974 . 1 312 74 74 ALA CB C 18.127 . 1 313 74 74 ALA N N 120.152 . 1 314 75 75 GLY H H 7.971 . 1 315 75 75 GLY C C 174.467 . 1 316 75 75 GLY CA C 45.087 . 1 317 75 75 GLY N N 107.970 . 1 318 76 76 VAL H H 7.469 . 1 319 76 76 VAL C C 175.869 . 1 320 76 76 VAL CA C 64.026 . 1 321 76 76 VAL CB C 30.427 . 1 322 76 76 VAL N N 120.536 . 1 323 77 77 THR H H 7.565 . 1 324 77 77 THR CA C 58.500 . 1 325 77 77 THR N N 119.085 . 1 326 78 78 PRO C C 177.965 . 1 327 78 78 PRO CA C 66.443 . 1 328 78 78 PRO CB C 30.707 . 1 329 79 79 ALA H H 8.190 . 1 330 79 79 ALA C C 181.599 . 1 331 79 79 ALA CA C 55.425 . 1 332 79 79 ALA CB C 17.473 . 1 333 79 79 ALA N N 117.936 . 1 334 80 80 GLN H H 7.761 . 1 335 80 80 GLN C C 179.568 . 1 336 80 80 GLN CA C 58.474 . 1 337 80 80 GLN CB C 27.895 . 1 338 80 80 GLN N N 118.577 . 1 339 81 81 CYS H H 8.151 . 1 340 81 81 CYS C C 176.820 . 1 341 81 81 CYS CA C 55.553 . 1 342 81 81 CYS CB C 25.011 . 1 343 81 81 CYS N N 118.954 . 1 344 82 82 PHE H H 7.963 . 1 345 82 82 PHE C C 178.136 . 1 346 82 82 PHE CA C 62.810 . 1 347 82 82 PHE CB C 37.709 . 1 348 82 82 PHE N N 117.872 . 1 349 83 83 GLU H H 7.611 . 1 350 83 83 GLU C C 180.031 . 1 351 83 83 GLU CA C 59.254 . 1 352 83 83 GLU CB C 28.347 . 1 353 83 83 GLU N N 120.738 . 1 354 84 84 MET H H 8.223 . 1 355 84 84 MET CA C 56.549 . 1 356 84 84 MET CB C 33.615 . 1 357 84 84 MET N N 118.995 . 1 358 85 85 LEU H H 8.388 . 1 359 85 85 LEU C C 178.029 . 1 360 85 85 LEU CA C 57.753 . 1 361 85 85 LEU CB C 41.104 . 1 362 85 85 LEU N N 117.037 . 1 363 86 86 ALA H H 7.660 . 1 364 86 86 ALA C C 180.431 . 1 365 86 86 ALA CA C 54.791 . 1 366 86 86 ALA CB C 17.081 . 1 367 86 86 ALA N N 120.106 . 1 368 87 87 LEU H H 7.346 . 1 369 87 87 LEU C C 180.015 . 1 370 87 87 LEU CA C 57.524 . 1 371 87 87 LEU CB C 40.989 . 1 372 87 87 LEU N N 119.985 . 1 373 88 88 ILE H H 8.506 . 1 374 88 88 ILE C C 177.760 . 1 375 88 88 ILE CA C 65.240 . 1 376 88 88 ILE CB C 37.775 . 1 377 88 88 ILE N N 121.444 . 1 378 89 89 ARG H H 8.269 . 1 379 89 89 ARG C C 178.010 . 1 380 89 89 ARG CA C 56.529 . 1 381 89 89 ARG CB C 26.880 . 1 382 89 89 ARG N N 118.768 . 1 383 90 90 GLU H H 7.762 . 1 384 90 90 GLU C C 178.056 . 1 385 90 90 GLU CA C 58.495 . 1 386 90 90 GLU CB C 28.815 . 1 387 90 90 GLU N N 119.282 . 1 388 91 91 LYS H H 7.356 . 1 389 91 91 LYS C C 176.294 . 1 390 91 91 LYS CA C 57.474 . 1 391 91 91 LYS CB C 32.971 . 1 392 91 91 LYS N N 116.598 . 1 393 92 92 HIS H H 7.905 . 1 394 92 92 HIS CA C 52.100 . 1 395 92 92 HIS CB C 28.962 . 1 396 92 92 HIS N N 116.686 . 1 397 93 93 PRO C C 177.806 . 1 398 93 93 PRO CA C 64.879 . 1 399 93 93 PRO CB C 32.412 . 1 400 94 94 THR H H 8.197 . 1 401 94 94 THR C C 175.311 . 1 402 94 94 THR CA C 61.514 . 1 403 94 94 THR CB C 69.629 . 1 404 94 94 THR N N 105.988 . 1 405 95 95 ILE H H 6.886 . 1 406 95 95 ILE CA C 58.025 . 1 407 95 95 ILE CB C 38.623 . 1 408 95 95 ILE N N 124.550 . 1 409 96 96 PRO C C 176.015 . 1 410 96 96 PRO CA C 61.903 . 1 411 96 96 PRO CB C 29.566 . 1 412 97 97 ILE H H 10.425 . 1 413 97 97 ILE C C 174.371 . 1 414 97 97 ILE CA C 61.256 . 1 415 97 97 ILE CB C 40.416 . 1 416 97 97 ILE N N 125.728 . 1 417 98 98 GLY H H 8.420 . 1 418 98 98 GLY C C 172.316 . 1 419 98 98 GLY CA C 43.794 . 1 420 98 98 GLY N N 116.261 . 1 421 99 99 LEU H H 8.477 . 1 422 99 99 LEU C C 174.177 . 1 423 99 99 LEU CA C 52.485 . 1 424 99 99 LEU CB C 45.088 . 1 425 99 99 LEU N N 123.030 . 1 426 100 100 LEU H H 8.760 . 1 427 100 100 LEU CA C 54.655 . 1 428 100 100 LEU N N 129.668 . 1 429 101 101 MET H H 6.566 . 1 430 101 101 MET CA C 56.369 . 1 431 101 101 MET N N 120.867 . 1 432 102 102 TYR H H 7.661 . 1 433 102 102 TYR C C 177.069 . 1 434 102 102 TYR CA C 56.483 . 1 435 102 102 TYR CB C 39.310 . 1 436 102 102 TYR N N 120.971 . 1 437 103 103 ALA H H 10.787 . 1 438 103 103 ALA C C 179.068 . 1 439 103 103 ALA CA C 55.581 . 1 440 103 103 ALA CB C 17.461 . 1 441 103 103 ALA N N 127.495 . 1 442 104 104 ASN H H 9.416 . 1 443 104 104 ASN C C 177.449 . 1 444 104 104 ASN CA C 56.222 . 1 445 104 104 ASN CB C 37.297 . 1 446 104 104 ASN N N 115.640 . 1 447 105 105 LEU H H 7.348 . 1 448 105 105 LEU C C 178.841 . 1 449 105 105 LEU CA C 56.758 . 1 450 105 105 LEU CB C 41.342 . 1 451 105 105 LEU N N 118.814 . 1 452 106 106 VAL H H 7.083 . 1 453 106 106 VAL C C 177.719 . 1 454 106 106 VAL CA C 64.658 . 1 455 106 106 VAL CB C 30.284 . 1 456 106 106 VAL N N 118.580 . 1 457 107 107 PHE H H 8.321 . 1 458 107 107 PHE C C 174.242 . 1 459 107 107 PHE CA C 59.609 . 1 460 107 107 PHE CB C 37.922 . 1 461 107 107 PHE N N 117.703 . 1 462 108 108 ASN H H 8.062 . 1 463 108 108 ASN C C 176.273 . 1 464 108 108 ASN CA C 55.902 . 1 465 108 108 ASN CB C 38.090 . 1 466 108 108 ASN N N 117.429 . 1 467 109 109 ASN H H 7.713 . 1 468 109 109 ASN C C 175.452 . 1 469 109 109 ASN CA C 54.167 . 1 470 109 109 ASN CB C 40.186 . 1 471 109 109 ASN N N 116.193 . 1 472 110 110 GLY H H 7.680 . 1 473 110 110 GLY C C 173.885 . 1 474 110 110 GLY CA C 43.540 . 1 475 110 110 GLY N N 110.146 . 1 476 111 111 ILE H H 8.496 . 1 477 111 111 ILE C C 177.569 . 1 478 111 111 ILE CA C 66.156 . 1 479 111 111 ILE CB C 37.167 . 1 480 111 111 ILE N N 125.085 . 1 481 112 112 ASP H H 8.398 . 1 482 112 112 ASP C C 177.721 . 1 483 112 112 ASP CA C 59.077 . 1 484 112 112 ASP CB C 41.475 . 1 485 112 112 ASP N N 119.399 . 1 486 113 113 ALA H H 8.066 . 1 487 113 113 ALA C C 180.635 . 1 488 113 113 ALA CA C 54.270 . 1 489 113 113 ALA CB C 17.075 . 1 490 113 113 ALA N N 119.796 . 1 491 114 114 PHE H H 8.427 . 1 492 114 114 PHE C C 177.760 . 1 493 114 114 PHE CA C 61.734 . 1 494 114 114 PHE CB C 38.645 . 1 495 114 114 PHE N N 120.386 . 1 496 115 115 TYR H H 7.932 . 1 497 115 115 TYR C C 177.720 . 1 498 115 115 TYR CA C 63.505 . 1 499 115 115 TYR CB C 37.662 . 1 500 115 115 TYR N N 119.210 . 1 501 116 116 ALA H H 8.323 . 1 502 116 116 ALA C C 180.177 . 1 503 116 116 ALA CA C 54.457 . 1 504 116 116 ALA CB C 16.849 . 1 505 116 116 ALA N N 122.508 . 1 506 117 117 ARG H H 7.537 . 1 507 117 117 ARG C C 178.715 . 1 508 117 117 ARG CA C 57.717 . 1 509 117 117 ARG CB C 27.734 . 1 510 117 117 ARG N N 121.117 . 1 511 118 118 CYS H H 7.436 . 1 512 118 118 CYS C C 176.169 . 1 513 118 118 CYS CA C 64.190 . 1 514 118 118 CYS CB C 25.943 . 1 515 118 118 CYS N N 116.354 . 1 516 119 119 GLU H H 8.026 . 1 517 119 119 GLU C C 179.513 . 1 518 119 119 GLU CA C 58.485 . 1 519 119 119 GLU CB C 28.922 . 1 520 119 119 GLU N N 122.289 . 1 521 120 120 GLN H H 7.943 . 1 522 120 120 GLN C C 178.454 . 1 523 120 120 GLN CA C 58.435 . 1 524 120 120 GLN CB C 27.926 . 1 525 120 120 GLN N N 119.761 . 1 526 121 121 VAL H H 7.685 . 1 527 121 121 VAL C C 175.332 . 1 528 121 121 VAL CA C 61.582 . 1 529 121 121 VAL CB C 30.854 . 1 530 121 121 VAL N N 110.539 . 1 531 122 122 GLY H H 7.438 . 1 532 122 122 GLY C C 175.075 . 1 533 122 122 GLY CA C 46.464 . 1 534 122 122 GLY N N 106.780 . 1 535 123 123 VAL H H 7.673 . 1 536 123 123 VAL C C 174.310 . 1 537 123 123 VAL CA C 63.150 . 1 538 123 123 VAL CB C 32.133 . 1 539 123 123 VAL N N 119.501 . 1 540 124 124 ASP H H 8.854 . 1 541 124 124 ASP C C 177.565 . 1 542 124 124 ASP CA C 56.437 . 1 543 124 124 ASP CB C 45.489 . 1 544 124 124 ASP N N 121.478 . 1 545 125 125 SER H H 8.390 . 1 546 125 125 SER CA C 56.408 . 1 547 125 125 SER N N 113.173 . 1 548 126 126 VAL H H 7.718 . 1 549 126 126 VAL C C 173.537 . 1 550 126 126 VAL CA C 61.668 . 1 551 126 126 VAL CB C 36.328 . 1 552 126 126 VAL N N 113.939 . 1 553 127 127 LEU H H 8.699 . 1 554 127 127 LEU C C 173.925 . 1 555 127 127 LEU CA C 53.280 . 1 556 127 127 LEU CB C 42.672 . 1 557 127 127 LEU N N 134.598 . 1 558 128 128 VAL H H 8.668 . 1 559 128 128 VAL C C 176.916 . 1 560 128 128 VAL CA C 60.579 . 1 561 128 128 VAL CB C 27.991 . 1 562 128 128 VAL N N 128.372 . 1 563 129 129 ALA H H 8.160 . 1 564 129 129 ALA C C 176.833 . 1 565 129 129 ALA CA C 54.931 . 1 566 129 129 ALA CB C 17.583 . 1 567 129 129 ALA N N 128.045 . 1 568 130 130 ASP H H 8.763 . 1 569 130 130 ASP C C 175.325 . 1 570 130 130 ASP CA C 52.122 . 1 571 130 130 ASP CB C 38.591 . 1 572 130 130 ASP N N 113.029 . 1 573 131 131 VAL H H 6.566 . 1 574 131 131 VAL CA C 58.630 . 1 575 131 131 VAL CB C 33.226 . 1 576 131 131 VAL N N 120.867 . 1 577 132 132 PRO C C 178.595 . 1 578 132 132 PRO CA C 62.032 . 1 579 132 132 PRO CB C 31.941 . 1 580 133 133 VAL H H 8.900 . 1 581 133 133 VAL C C 179.256 . 1 582 133 133 VAL CA C 66.093 . 1 583 133 133 VAL CB C 30.595 . 1 584 133 133 VAL N N 123.492 . 1 585 134 134 GLU H H 10.150 . 1 586 134 134 GLU C C 177.511 . 1 587 134 134 GLU CA C 58.909 . 1 588 134 134 GLU CB C 27.781 . 1 589 134 134 GLU N N 121.940 . 1 590 135 135 GLU H H 7.739 . 1 591 135 135 GLU CB C 32.815 . 1 592 135 135 GLU N N 119.503 . 1 593 136 136 SER H H 7.927 . 1 594 136 136 SER N N 113.594 . 1 595 138 138 PRO C C 179.653 . 1 596 138 138 PRO CA C 65.739 . 1 597 138 138 PRO CB C 30.181 . 1 598 139 139 PHE H H 7.096 . 1 599 139 139 PHE C C 176.714 . 1 600 139 139 PHE CA C 60.233 . 1 601 139 139 PHE CB C 37.328 . 1 602 139 139 PHE N N 116.025 . 1 603 140 140 ARG H H 8.304 . 1 604 140 140 ARG C C 175.916 . 1 605 140 140 ARG CA C 59.362 . 1 606 140 140 ARG CB C 28.959 . 1 607 140 140 ARG N N 117.381 . 1 608 141 141 GLN H H 8.280 . 1 609 141 141 GLN C C 178.556 . 1 610 141 141 GLN CA C 58.362 . 1 611 141 141 GLN CB C 27.503 . 1 612 141 141 GLN N N 116.912 . 1 613 142 142 ALA H H 6.913 . 1 614 142 142 ALA C C 178.627 . 1 615 142 142 ALA CA C 54.489 . 1 616 142 142 ALA CB C 18.823 . 1 617 142 142 ALA N N 121.925 . 1 618 143 143 ALA H H 7.783 . 1 619 143 143 ALA CA C 55.539 . 1 620 143 143 ALA CB C 16.104 . 1 621 143 143 ALA N N 121.046 . 1 622 145 145 ARG H H 7.596 . 1 623 145 145 ARG C C 176.763 . 1 624 145 145 ARG CA C 58.019 . 1 625 145 145 ARG CB C 29.588 . 1 626 145 145 ARG N N 118.759 . 1 627 146 146 HIS H H 7.343 . 1 628 146 146 HIS C C 171.165 . 1 629 146 146 HIS CA C 54.883 . 1 630 146 146 HIS CB C 28.432 . 1 631 146 146 HIS N N 115.327 . 1 632 147 147 ASN H H 7.539 . 1 633 147 147 ASN C C 173.784 . 1 634 147 147 ASN CA C 58.698 . 1 635 147 147 ASN CB C 36.713 . 1 636 147 147 ASN N N 111.356 . 1 637 148 148 ILE H H 8.459 . 1 638 148 148 ILE C C 174.938 . 1 639 148 148 ILE CA C 57.624 . 1 640 148 148 ILE CB C 38.576 . 1 641 148 148 ILE N N 119.773 . 1 642 149 149 ALA H H 8.311 . 1 643 149 149 ALA CA C 49.373 . 1 644 149 149 ALA CB C 17.132 . 1 645 149 149 ALA N N 129.207 . 1 646 150 150 PRO C C 173.848 . 1 647 150 150 PRO CA C 61.238 . 1 648 150 150 PRO CB C 29.897 . 1 649 151 151 ILE H H 7.166 . 1 650 151 151 ILE C C 174.553 . 1 651 151 151 ILE CA C 56.640 . 1 652 151 151 ILE CB C 36.091 . 1 653 151 151 ILE N N 123.472 . 1 654 152 152 PHE H H 8.906 . 1 655 152 152 PHE C C 174.215 . 1 656 152 152 PHE CA C 56.463 . 1 657 152 152 PHE N N 123.694 . 1 658 153 153 ILE H H 8.412 . 1 659 153 153 ILE CA C 59.839 . 1 660 153 153 ILE N N 120.143 . 1 661 156 156 PRO CA C 62.604 . 1 662 156 156 PRO CB C 33.622 . 1 663 157 157 ASN H H 7.982 . 1 664 157 157 ASN C C 174.674 . 1 665 157 157 ASN CA C 51.213 . 1 666 157 157 ASN CB C 36.793 . 1 667 157 157 ASN N N 118.945 . 1 668 158 158 ALA H H 6.962 . 1 669 158 158 ALA C C 176.049 . 1 670 158 158 ALA CA C 53.023 . 1 671 158 158 ALA CB C 19.814 . 1 672 158 158 ALA N N 121.973 . 1 673 159 159 ASP H H 7.874 . 1 674 159 159 ASP C C 171.704 . 1 675 159 159 ASP CA C 53.278 . 1 676 159 159 ASP CB C 40.077 . 1 677 159 159 ASP N N 120.793 . 1 678 160 160 ASP H H 8.466 . 1 679 160 160 ASP C C 177.681 . 1 680 160 160 ASP CA C 58.211 . 1 681 160 160 ASP CB C 41.019 . 1 682 160 160 ASP N N 119.490 . 1 683 161 161 ASP H H 7.991 . 1 684 161 161 ASP C C 178.796 . 1 685 161 161 ASP CA C 57.109 . 1 686 161 161 ASP CB C 39.828 . 1 687 161 161 ASP N N 117.018 . 1 688 162 162 LEU H H 7.878 . 1 689 162 162 LEU C C 179.318 . 1 690 162 162 LEU CA C 57.830 . 1 691 162 162 LEU CB C 40.267 . 1 692 162 162 LEU N N 123.683 . 1 693 163 163 LEU H H 8.279 . 1 694 163 163 LEU C C 179.194 . 1 695 163 163 LEU CA C 58.037 . 1 696 163 163 LEU N N 119.203 . 1 697 164 164 ARG H H 7.474 . 1 698 164 164 ARG CA C 59.210 . 1 699 164 164 ARG CB C 28.951 . 1 700 164 164 ARG N N 111.493 . 1 701 165 165 GLN H H 7.594 . 1 702 165 165 GLN CA C 58.962 . 1 703 165 165 GLN CB C 28.917 . 1 704 165 165 GLN N N 120.463 . 1 705 166 166 VAL H H 8.565 . 1 706 166 166 VAL C C 179.142 . 1 707 166 166 VAL CA C 66.363 . 1 708 166 166 VAL CB C 30.568 . 1 709 166 166 VAL N N 118.628 . 1 710 167 167 ALA H H 8.253 . 1 711 167 167 ALA C C 178.946 . 1 712 167 167 ALA CA C 54.335 . 1 713 167 167 ALA CB C 18.993 . 1 714 167 167 ALA N N 121.484 . 1 715 168 168 SER H H 7.564 . 1 716 168 168 SER C C 176.849 . 1 717 168 168 SER CA C 60.185 . 1 718 168 168 SER CB C 62.839 . 1 719 168 168 SER N N 111.741 . 1 720 169 169 TYR H H 8.092 . 1 721 169 169 TYR C C 177.746 . 1 722 169 169 TYR CA C 55.956 . 1 723 169 169 TYR CB C 38.569 . 1 724 169 169 TYR N N 118.682 . 1 725 170 170 GLY H H 7.933 . 1 726 170 170 GLY CA C 46.300 . 1 727 170 170 GLY N N 106.163 . 1 728 171 171 ARG H H 7.182 . 1 729 171 171 ARG C C 173.725 . 1 730 171 171 ARG CA C 53.432 . 1 731 171 171 ARG CB C 33.800 . 1 732 171 171 ARG N N 119.947 . 1 733 172 172 GLY H H 8.630 . 1 734 172 172 GLY C C 172.288 . 1 735 172 172 GLY CA C 45.872 . 1 736 172 172 GLY N N 106.997 . 1 737 173 173 TYR H H 7.449 . 1 738 173 173 TYR C C 172.541 . 1 739 173 173 TYR CA C 56.846 . 1 740 173 173 TYR CB C 38.777 . 1 741 173 173 TYR N N 118.556 . 1 742 174 174 THR H H 8.803 . 1 743 174 174 THR C C 172.869 . 1 744 174 174 THR CA C 62.457 . 1 745 174 174 THR CB C 69.181 . 1 746 174 174 THR N N 117.785 . 1 747 175 175 TYR H H 8.030 . 1 748 175 175 TYR C C 175.915 . 1 749 175 175 TYR N N 131.527 . 1 750 177 177 LEU H H 8.809 . 1 751 177 177 LEU C C 179.125 . 1 752 177 177 LEU N N 118.863 . 1 753 178 178 SER H H 7.203 . 1 754 178 178 SER CA C 54.489 . 1 755 178 178 SER N N 115.649 . 1 756 179 179 ARG H H 7.783 . 1 757 179 179 ARG N N 121.046 . 1 758 180 180 SER H H 7.680 . 1 759 180 180 SER N N 110.146 . 1 760 181 181 GLY C C 174.310 . 1 761 181 181 GLY CA C 45.014 . 1 762 182 182 VAL H H 7.970 . 1 763 182 182 VAL C C 176.714 . 1 764 182 182 VAL CA C 62.046 . 1 765 182 182 VAL CB C 31.752 . 1 766 182 182 VAL N N 119.256 . 1 767 183 183 THR H H 8.248 . 1 768 183 183 THR C C 175.284 . 1 769 183 183 THR CA C 61.786 . 1 770 183 183 THR CB C 69.401 . 1 771 183 183 THR N N 117.227 . 1 772 184 184 GLY H H 8.428 . 1 773 184 184 GLY C C 174.276 . 1 774 184 184 GLY CA C 45.012 . 1 775 184 184 GLY N N 112.070 . 1 776 185 185 ALA H H 8.152 . 1 777 185 185 ALA C C 177.046 . 1 778 185 185 ALA CA C 52.452 . 1 779 185 185 ALA CB C 18.394 . 1 780 185 185 ALA N N 124.210 . 1 781 186 186 GLU H H 8.540 . 1 782 186 186 GLU C C 176.535 . 1 783 186 186 GLU CA C 56.774 . 1 784 186 186 GLU CB C 28.914 . 1 785 186 186 GLU N N 119.605 . 1 786 187 187 ASN H H 8.260 . 1 787 187 187 ASN C C 175.392 . 1 788 187 187 ASN CA C 53.066 . 1 789 187 187 ASN CB C 38.247 . 1 790 187 187 ASN N N 119.377 . 1 791 188 188 ARG H H 8.186 . 1 792 188 188 ARG C C 176.925 . 1 793 188 188 ARG CA C 56.334 . 1 794 188 188 ARG CB C 29.376 . 1 795 188 188 ARG N N 121.585 . 1 796 189 189 GLY H H 8.415 . 1 797 189 189 GLY C C 173.756 . 1 798 189 189 GLY CA C 44.834 . 1 799 189 189 GLY N N 110.277 . 1 800 190 190 ALA H H 7.805 . 1 801 190 190 ALA C C 177.596 . 1 802 190 190 ALA CA C 51.845 . 1 803 190 190 ALA CB C 18.739 . 1 804 190 190 ALA N N 123.148 . 1 805 191 191 LEU H H 8.266 . 1 806 191 191 LEU CA C 52.959 . 1 807 191 191 LEU CB C 40.986 . 1 808 191 191 LEU N N 123.776 . 1 809 193 193 LEU H H 7.834 . 1 810 193 193 LEU C C 178.186 . 1 811 193 193 LEU CA C 57.831 . 1 812 193 193 LEU CB C 40.791 . 1 813 193 193 LEU N N 119.279 . 1 814 194 194 HIS H H 8.639 . 1 815 194 194 HIS C C 177.281 . 1 816 194 194 HIS CA C 59.148 . 1 817 194 194 HIS CB C 28.478 . 1 818 194 194 HIS N N 114.675 . 1 819 195 195 HIS H H 7.214 . 1 820 195 195 HIS C C 177.013 . 1 821 195 195 HIS CA C 57.967 . 1 822 195 195 HIS CB C 29.600 . 1 823 195 195 HIS N N 118.800 . 1 824 196 196 LEU H H 7.685 . 1 825 196 196 LEU C C 178.307 . 1 826 196 196 LEU CA C 58.094 . 1 827 196 196 LEU CB C 40.947 . 1 828 196 196 LEU N N 121.856 . 1 829 197 197 ILE H H 8.123 . 1 830 197 197 ILE CB C 36.793 . 1 831 197 197 ILE N N 117.898 . 1 832 198 198 GLU H H 6.962 . 1 833 198 198 GLU C C 179.584 . 1 834 198 198 GLU CA C 59.069 . 1 835 198 198 GLU CB C 28.573 . 1 836 198 198 GLU N N 121.973 . 1 837 199 199 LYS H H 7.936 . 1 838 199 199 LYS C C 177.976 . 1 839 199 199 LYS CA C 57.257 . 1 840 199 199 LYS CB C 30.428 . 1 841 199 199 LYS N N 121.316 . 1 842 200 200 LEU H H 8.080 . 1 843 200 200 LEU C C 179.271 . 1 844 200 200 LEU CA C 58.133 . 1 845 200 200 LEU CB C 39.808 . 1 846 200 200 LEU N N 118.778 . 1 847 201 201 LYS H H 7.764 . 1 848 201 201 LYS C C 181.389 . 1 849 201 201 LYS CA C 59.104 . 1 850 201 201 LYS CB C 31.389 . 1 851 201 201 LYS N N 118.260 . 1 852 202 202 GLU H H 8.037 . 1 853 202 202 GLU C C 178.317 . 1 854 202 202 GLU CA C 58.584 . 1 855 202 202 GLU CB C 28.038 . 1 856 202 202 GLU N N 124.906 . 1 857 203 203 TYR H H 7.528 . 1 858 203 203 TYR C C 174.518 . 1 859 203 203 TYR CA C 54.636 . 1 860 203 203 TYR CB C 36.193 . 1 861 203 203 TYR N N 115.953 . 1 862 204 204 HIS H H 7.829 . 1 863 204 204 HIS C C 174.455 . 1 864 204 204 HIS CA C 55.715 . 1 865 204 204 HIS CB C 24.779 . 1 866 204 204 HIS N N 114.406 . 1 867 205 205 ALA H H 8.151 . 1 868 205 205 ALA C C 177.144 . 1 869 205 205 ALA CA C 51.094 . 1 870 205 205 ALA CB C 20.100 . 1 871 205 205 ALA N N 119.247 . 1 872 206 206 ALA H H 8.418 . 1 873 206 206 ALA N N 125.179 . 1 874 207 207 PRO C C 175.018 . 1 875 207 207 PRO CA C 63.324 . 1 876 207 207 PRO CB C 30.851 . 1 877 208 208 ALA H H 8.274 . 1 878 208 208 ALA C C 176.320 . 1 879 208 208 ALA CA C 51.307 . 1 880 208 208 ALA CB C 19.072 . 1 881 208 208 ALA N N 125.428 . 1 882 209 209 LEU H H 8.706 . 1 883 209 209 LEU C C 175.649 . 1 884 209 209 LEU CA C 52.094 . 1 885 209 209 LEU CB C 41.386 . 1 886 209 209 LEU N N 120.991 . 1 887 210 210 GLN H H 8.084 . 1 888 210 210 GLN N N 123.718 . 1 889 211 211 GLY C C 175.878 . 1 890 212 212 PHE H H 7.688 . 1 891 212 212 PHE CA C 55.901 . 1 892 212 212 PHE CB C 38.126 . 1 893 212 212 PHE N N 112.952 . 1 894 213 213 GLY H H 7.580 . 1 895 213 213 GLY C C 173.715 . 1 896 213 213 GLY N N 112.126 . 1 897 214 214 ILE H H 7.845 . 1 898 214 214 ILE N N 122.083 . 1 899 215 215 SER H H 8.593 . 1 900 215 215 SER N N 121.128 . 1 901 217 217 PRO C C 177.765 . 1 902 217 217 PRO CA C 65.687 . 1 903 217 217 PRO CB C 31.383 . 1 904 218 218 GLU H H 8.826 . 1 905 218 218 GLU C C 179.503 . 1 906 218 218 GLU CA C 59.273 . 1 907 218 218 GLU CB C 27.729 . 1 908 218 218 GLU N N 116.501 . 1 909 219 219 GLN H H 7.622 . 1 910 219 219 GLN C C 179.310 . 1 911 219 219 GLN CA C 58.020 . 1 912 219 219 GLN CB C 28.558 . 1 913 219 219 GLN N N 117.680 . 1 914 220 220 VAL H H 7.449 . 1 915 220 220 VAL C C 177.448 . 1 916 220 220 VAL CA C 66.517 . 1 917 220 220 VAL CB C 30.242 . 1 918 220 220 VAL N N 122.364 . 1 919 221 221 SER H H 7.906 . 1 920 221 221 SER C C 177.105 . 1 921 221 221 SER CA C 60.884 . 1 922 221 221 SER CB C 61.953 . 1 923 221 221 SER N N 113.660 . 1 924 222 222 ALA H H 7.929 . 1 925 222 222 ALA C C 180.149 . 1 926 222 222 ALA CA C 54.706 . 1 927 222 222 ALA CB C 17.469 . 1 928 222 222 ALA N N 121.668 . 1 929 223 223 ALA H H 7.500 . 1 930 223 223 ALA C C 178.309 . 1 931 223 223 ALA CA C 54.945 . 1 932 223 223 ALA CB C 16.229 . 1 933 223 223 ALA N N 121.972 . 1 934 224 224 VAL H H 7.620 . 1 935 224 224 VAL C C 181.212 . 1 936 224 224 VAL CA C 64.790 . 1 937 224 224 VAL CB C 30.857 . 1 938 224 224 VAL N N 117.584 . 1 939 225 225 ARG H H 8.579 . 1 940 225 225 ARG C C 177.084 . 1 941 225 225 ARG CA C 58.786 . 1 942 225 225 ARG CB C 29.016 . 1 943 225 225 ARG N N 122.763 . 1 944 226 226 ALA H H 7.507 . 1 945 226 226 ALA C C 176.687 . 1 946 226 226 ALA CA C 52.422 . 1 947 226 226 ALA CB C 17.915 . 1 948 226 226 ALA N N 119.897 . 1 949 227 227 GLY H H 7.719 . 1 950 227 227 GLY C C 175.396 . 1 951 227 227 GLY CA C 44.045 . 1 952 227 227 GLY N N 103.688 . 1 953 228 228 ALA H H 7.965 . 1 954 228 228 ALA C C 175.914 . 1 955 228 228 ALA CA C 52.066 . 1 956 228 228 ALA CB C 17.219 . 1 957 228 228 ALA N N 123.169 . 1 958 229 229 ALA H H 8.827 . 1 959 229 229 ALA C C 177.810 . 1 960 229 229 ALA CA C 51.817 . 1 961 229 229 ALA CB C 18.231 . 1 962 229 229 ALA N N 121.797 . 1 963 230 230 GLY H H 7.378 . 1 964 230 230 GLY C C 170.112 . 1 965 230 230 GLY CA C 46.178 . 1 966 230 230 GLY N N 103.184 . 1 967 231 231 ALA H H 8.785 . 1 968 231 231 ALA C C 173.639 . 1 969 231 231 ALA CA C 50.140 . 1 970 231 231 ALA CB C 22.927 . 1 971 231 231 ALA N N 122.356 . 1 972 232 232 ILE H H 8.400 . 1 973 232 232 ILE CB C 40.308 . 1 974 232 232 ILE N N 121.313 . 1 975 233 233 SER H H 6.991 . 1 976 233 233 SER N N 120.924 . 1 977 240 240 ILE H H 7.970 . 1 978 240 240 ILE C C 177.442 . 1 979 240 240 ILE CA C 64.190 . 1 980 240 240 ILE N N 119.256 . 1 981 241 241 ILE H H 8.036 . 1 982 241 241 ILE C C 177.684 . 1 983 241 241 ILE CA C 61.804 . 1 984 241 241 ILE N N 121.968 . 1 985 242 242 GLU H H 7.875 . 1 986 242 242 GLU C C 178.729 . 1 987 242 242 GLU CA C 58.972 . 1 988 242 242 GLU CB C 29.479 . 1 989 242 242 GLU N N 120.394 . 1 990 243 243 LYS H H 8.137 . 1 991 243 243 LYS C C 177.444 . 1 992 243 243 LYS CA C 57.746 . 1 993 243 243 LYS CB C 32.061 . 1 994 243 243 LYS N N 116.711 . 1 995 244 244 ASN H H 7.233 . 1 996 244 244 ASN C C 175.043 . 1 997 244 244 ASN CA C 52.996 . 1 998 244 244 ASN CB C 40.289 . 1 999 244 244 ASN N N 114.611 . 1 1000 245 245 LEU H H 6.996 . 1 1001 245 245 LEU C C 178.273 . 1 1002 245 245 LEU CA C 58.068 . 1 1003 245 245 LEU CB C 41.354 . 1 1004 245 245 LEU N N 121.137 . 1 1005 246 246 ALA H H 8.297 . 1 1006 246 246 ALA CA C 51.986 . 1 1007 246 246 ALA CB C 18.042 . 1 1008 246 246 ALA N N 116.619 . 1 1009 248 248 PRO C C 178.233 . 1 1010 248 248 PRO CA C 65.295 . 1 1011 248 248 PRO CB C 31.328 . 1 1012 249 249 LYS H H 8.340 . 1 1013 249 249 LYS C C 179.976 . 1 1014 249 249 LYS CA C 59.476 . 1 1015 249 249 LYS CB C 31.204 . 1 1016 249 249 LYS N N 116.962 . 1 1017 250 250 GLN H H 7.610 . 1 1018 250 250 GLN C C 177.973 . 1 1019 250 250 GLN CA C 57.861 . 1 1020 250 250 GLN CB C 27.045 . 1 1021 250 250 GLN N N 122.947 . 1 1022 251 251 MET H H 8.571 . 1 1023 251 251 MET C C 177.641 . 1 1024 251 251 MET CA C 58.982 . 1 1025 251 251 MET CB C 33.812 . 1 1026 251 251 MET N N 118.336 . 1 1027 252 252 LEU H H 7.452 . 1 1028 252 252 LEU C C 178.914 . 1 1029 252 252 LEU CA C 57.485 . 1 1030 252 252 LEU CB C 39.101 . 1 1031 252 252 LEU N N 114.830 . 1 1032 253 253 ALA H H 7.527 . 1 1033 253 253 ALA C C 180.950 . 1 1034 253 253 ALA CA C 54.983 . 1 1035 253 253 ALA CB C 17.321 . 1 1036 253 253 ALA N N 122.770 . 1 1037 254 254 GLU H H 8.576 . 1 1038 254 254 GLU C C 173.780 . 1 1039 254 254 GLU CA C 59.098 . 1 1040 254 254 GLU CB C 28.453 . 1 1041 254 254 GLU N N 119.720 . 1 1042 255 255 LEU H H 8.267 . 1 1043 255 255 LEU N N 121.394 . 1 1044 256 256 ARG H H 7.601 . 1 1045 256 256 ARG C C 178.707 . 1 1046 256 256 ARG CA C 59.232 . 1 1047 256 256 ARG CB C 28.958 . 1 1048 256 256 ARG N N 111.753 . 1 1049 257 257 SER H H 7.973 . 1 1050 257 257 SER C C 176.887 . 1 1051 257 257 SER CA C 61.117 . 1 1052 257 257 SER CB C 62.099 . 1 1053 257 257 SER N N 114.472 . 1 1054 258 258 PHE H H 8.274 . 1 1055 258 258 PHE C C 177.193 . 1 1056 258 258 PHE CA C 61.155 . 1 1057 258 258 PHE CB C 39.646 . 1 1058 258 258 PHE N N 123.000 . 1 1059 259 259 VAL H H 8.755 . 1 1060 259 259 VAL C C 177.127 . 1 1061 259 259 VAL CA C 66.723 . 1 1062 259 259 VAL CB C 29.512 . 1 1063 259 259 VAL N N 118.499 . 1 1064 260 260 SER H H 8.114 . 1 1065 260 260 SER CA C 62.196 . 1 1066 260 260 SER N N 113.788 . 1 1067 261 261 ALA C C 180.904 . 1 1068 261 261 ALA CA C 54.549 . 1 1069 261 261 ALA CB C 17.377 . 1 1070 262 262 MET H H 7.744 . 1 1071 262 262 MET C C 177.863 . 1 1072 262 262 MET CA C 56.503 . 1 1073 262 262 MET N N 119.105 . 1 1074 263 263 LYS H H 8.388 . 1 1075 263 263 LYS C C 181.284 . 1 1076 263 263 LYS CA C 56.142 . 1 1077 263 263 LYS CB C 29.024 . 1 1078 263 263 LYS N N 117.037 . 1 1079 264 264 ALA H H 8.207 . 1 1080 264 264 ALA C C 179.794 . 1 1081 264 264 ALA CA C 55.089 . 1 1082 264 264 ALA CB C 16.645 . 1 1083 264 264 ALA N N 125.690 . 1 1084 265 265 ALA H H 6.957 . 1 1085 265 265 ALA C C 177.768 . 1 1086 265 265 ALA CA C 52.901 . 1 1087 265 265 ALA CB C 19.052 . 1 1088 265 265 ALA N N 118.733 . 1 1089 266 266 SER H H 7.682 . 1 1090 266 266 SER C C 173.530 . 1 1091 266 266 SER CA C 59.571 . 1 1092 266 266 SER CB C 62.556 . 1 1093 266 266 SER N N 113.597 . 1 1094 267 267 ARG H H 7.211 . 1 1095 267 267 ARG C C 174.711 . 1 1096 267 267 ARG CA C 56.136 . 1 1097 267 267 ARG CB C 29.799 . 1 1098 267 267 ARG N N 122.978 . 1 1099 268 268 ALA H H 7.969 . 1 1100 268 268 ALA N N 131.112 . 1 stop_ save_