data_26996 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignments for NS2b, NS3 complex ; _BMRB_accession_number 26996 _BMRB_flat_file_name bmr26996.str _Entry_type original _Submission_date 2017-01-18 _Accession_date 2017-01-18 _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 Agback Peter . . 2 Woestenenk Esmeralda . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 193 "13C chemical shifts" 332 "15N chemical shifts" 193 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-10 original BMRB . stop_ _Original_release_date 2017-01-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Co-refolding of a functional complex of Dengue NS3 protease and NS2B co-factor domain and backbone resonance assignment by solution NMR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28751017 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Woestenenk Esmeralda . . 2 Agback Peter . . 3 Unnerstale Sofia . . 4 Henderson Ian . . 5 Agback Tatiana . . stop_ _Journal_abbreviation 'Protein Expr. Purif.' _Journal_name_full 'Protein expression and purification' _Journal_volume 140 _Journal_issue . _Journal_ISSN 1096-0279 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16 _Page_last 27 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NS2B/NS3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NS2B $NS2B NS3 $NS3 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_NS2B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NS2B _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MLEADLELERAADVRWEEQA EISGSSPILSITISEDGSMS IKNEEEEQTL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 301 MET 2 302 GLY 3 303 SER 4 304 SER 5 305 HIS 6 306 HIS 7 307 HIS 8 308 HIS 9 309 HIS 10 310 HIS 11 311 SER 12 312 SER 13 313 GLY 14 314 LEU 15 315 VAL 16 316 PRO 17 317 ARG 18 318 GLY 19 319 SER 20 320 HIS 21 321 MET 22 322 LEU 23 323 GLU 24 324 ALA 25 325 ASP 26 326 LEU 27 327 GLU 28 328 LEU 29 329 GLU 30 330 ARG 31 331 ALA 32 332 ALA 33 333 ASP 34 334 VAL 35 335 ARG 36 336 TRP 37 337 GLU 38 338 GLU 39 339 GLN 40 340 ALA 41 341 GLU 42 342 ILE 43 343 SER 44 344 GLY 45 345 SER 46 346 SER 47 347 PRO 48 348 ILE 49 349 LEU 50 350 SER 51 351 ILE 52 352 THR 53 353 ILE 54 354 SER 55 355 GLU 56 356 ASP 57 357 GLY 58 358 SER 59 359 MET 60 360 SER 61 361 ILE 62 362 LYS 63 363 ASN 64 364 GLU 65 365 GLU 66 366 GLU 67 367 GLU 68 368 GLN 69 369 THR 70 370 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_NS3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NS3 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 194 _Mol_residue_sequence ; MSHHHHHHSAGVLWDVPSPP PVGKAELEDGAYRIKQKGIL GYSQIGAGVYKEGTFHTMWH VTRGAVLMHKGKRIEPSWAD VKKDLISYGGGWKLEGEWKE GEEVQVLALEPGKNPRAVQT KPGLFKTNTGTIGAVSLDFS PGTSGSPIVDKKGKVVGLYG NGVVTRSGAYVSAIAQTEKS IEDNPEIEDDIFRK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 SER 10 ALA 11 GLY 12 VAL 13 LEU 14 TRP 15 ASP 16 VAL 17 PRO 18 SER 19 PRO 20 PRO 21 PRO 22 VAL 23 GLY 24 LYS 25 ALA 26 GLU 27 LEU 28 GLU 29 ASP 30 GLY 31 ALA 32 TYR 33 ARG 34 ILE 35 LYS 36 GLN 37 LYS 38 GLY 39 ILE 40 LEU 41 GLY 42 TYR 43 SER 44 GLN 45 ILE 46 GLY 47 ALA 48 GLY 49 VAL 50 TYR 51 LYS 52 GLU 53 GLY 54 THR 55 PHE 56 HIS 57 THR 58 MET 59 TRP 60 HIS 61 VAL 62 THR 63 ARG 64 GLY 65 ALA 66 VAL 67 LEU 68 MET 69 HIS 70 LYS 71 GLY 72 LYS 73 ARG 74 ILE 75 GLU 76 PRO 77 SER 78 TRP 79 ALA 80 ASP 81 VAL 82 LYS 83 LYS 84 ASP 85 LEU 86 ILE 87 SER 88 TYR 89 GLY 90 GLY 91 GLY 92 TRP 93 LYS 94 LEU 95 GLU 96 GLY 97 GLU 98 TRP 99 LYS 100 GLU 101 GLY 102 GLU 103 GLU 104 VAL 105 GLN 106 VAL 107 LEU 108 ALA 109 LEU 110 GLU 111 PRO 112 GLY 113 LYS 114 ASN 115 PRO 116 ARG 117 ALA 118 VAL 119 GLN 120 THR 121 LYS 122 PRO 123 GLY 124 LEU 125 PHE 126 LYS 127 THR 128 ASN 129 THR 130 GLY 131 THR 132 ILE 133 GLY 134 ALA 135 VAL 136 SER 137 LEU 138 ASP 139 PHE 140 SER 141 PRO 142 GLY 143 THR 144 SER 145 GLY 146 SER 147 PRO 148 ILE 149 VAL 150 ASP 151 LYS 152 LYS 153 GLY 154 LYS 155 VAL 156 VAL 157 GLY 158 LEU 159 TYR 160 GLY 161 ASN 162 GLY 163 VAL 164 VAL 165 THR 166 ARG 167 SER 168 GLY 169 ALA 170 TYR 171 VAL 172 SER 173 ALA 174 ILE 175 ALA 176 GLN 177 THR 178 GLU 179 LYS 180 SER 181 ILE 182 GLU 183 ASP 184 ASN 185 PRO 186 GLU 187 ILE 188 GLU 189 ASP 190 ASP 191 ILE 192 PHE 193 ARG 194 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NS2B 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $NS2B 'recombinant technology' . Escherichia coli . pET21b $NS3 'recombinant technology' . Escherichia coli . pET21b 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 $NS2B 0.3 mM '[U-13C; U-15N; U-2H]' $NS3 0.3 mM '[U-13C; U-15N; U-2H]' 'Boronic acid' 1.0 mM 'natural abundance' MES 20 mM '[U-100% 2H]' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NS2B 0.3 mM 'natural abundance' $NS3 0.3 mM '[U-13C; U-15N; U-2H]' 'Boronic acid' 1.0 mM 'natural abundance' MES 20 mM '[U-100% 2H]' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NS2B 0.3 mM '[U-13C; U-15N; U-2H]' $NS3 0.3 mM 'natural abundance' 'Boronic acid' 1.0 mM 'natural abundance' MES 20 mM '[U-100% 2H]' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CCPN _Saveframe_category software _Name CCPN _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_3 save_ save_3D_HNCO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCACB_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name NS2B _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 1 322 22 LEU CA C 60.51 . . 2 323 23 GLU H H 8.31 . . 3 323 23 GLU CA C 56.15 . . 4 323 23 GLU N N 125.55 . . 5 324 24 ALA CA C 51.46 . . 6 325 25 ASP H H 8.19 . . 7 325 25 ASP CA C 54.48 . . 8 325 25 ASP N N 120.62 . . 9 326 26 LEU H H 8.04 . . 10 326 26 LEU CA C 53.40 . . 11 326 26 LEU N N 120.92 . . 12 327 27 GLU H H 9.01 . . 13 327 27 GLU CA C 53.90 . . 14 327 27 GLU N N 122.18 . . 15 328 28 LEU H H 8.25 . . 16 328 28 LEU CA C 53.04 . . 17 328 28 LEU N N 121.53 . . 18 329 29 GLU H H 8.51 . . 19 329 29 GLU CA C 54.63 . . 20 329 29 GLU N N 121.21 . . 21 330 30 ARG H H 9.35 . . 22 330 30 ARG CA C 58.71 . . 23 330 30 ARG N N 132.69 . . 24 331 31 ALA H H 8.95 . . 25 331 31 ALA CA C 51.91 . . 26 331 31 ALA N N 127.47 . . 27 332 32 ALA H H 7.55 . . 28 332 32 ALA CA C 51.51 . . 29 332 32 ALA N N 116.77 . . 30 333 33 ASP H H 8.40 . . 31 333 33 ASP CA C 53.67 . . 32 333 33 ASP N N 120.37 . . 33 334 34 VAL H H 8.80 . . 34 334 34 VAL CA C 63.13 . . 35 334 34 VAL N N 121.78 . . 36 335 35 ARG H H 6.97 . . 37 335 35 ARG CA C 54.00 . . 38 335 35 ARG N N 124.14 . . 39 336 36 TRP H H 8.57 . . 40 336 36 TRP CA C 56.71 . . 41 336 36 TRP N N 122.58 . . 42 337 37 GLU H H 9.13 . . 43 337 37 GLU CA C 54.39 . . 44 337 37 GLU N N 132.31 . . 45 338 38 GLU H H 8.70 . . 46 338 38 GLU CA C 58.24 . . 47 338 38 GLU N N 125.73 . . 48 339 39 GLN H H 8.60 . . 49 339 39 GLN CA C 54.51 . . 50 339 39 GLN N N 118.12 . . 51 340 40 ALA H H 7.29 . . 52 340 40 ALA CA C 51.34 . . 53 340 40 ALA N N 123.90 . . 54 341 41 GLU H H 7.89 . . 55 341 41 GLU N N 121.69 . . 56 342 42 ILE H H 8.13 . . 57 342 42 ILE CA C 59.33 . . 58 342 42 ILE N N 123.66 . . 59 343 43 SER H H 8.71 . . 60 343 43 SER CA C 56.79 . . 61 343 43 SER N N 120.98 . . 62 344 44 GLY H H 8.19 . . 63 344 44 GLY CA C 44.61 . . 64 344 44 GLY N N 110.12 . . 65 345 45 SER H H 7.37 . . 66 345 45 SER CA C 57.37 . . 67 345 45 SER N N 114.89 . . 68 346 46 SER H H 8.25 . . 69 346 46 SER CA C 54.15 . . 70 346 46 SER N N 113.33 . . 71 347 47 PRO CA C 62.37 . . 72 348 48 ILE H H 7.94 . . 73 348 48 ILE CA C 60.34 . . 74 348 48 ILE N N 118.35 . . 75 349 49 LEU H H 8.61 . . 76 349 49 LEU CA C 53.18 . . 77 349 49 LEU N N 127.05 . . 78 350 50 SER H H 8.81 . . 79 350 50 SER CA C 57.71 . . 80 350 50 SER N N 119.32 . . 81 351 51 ILE H H 8.24 . . 82 351 51 ILE CA C 58.18 . . 83 351 51 ILE N N 119.24 . . 84 352 52 THR H H 8.74 . . 85 352 52 THR CA C 60.18 . . 86 352 52 THR N N 115.37 . . 87 353 53 ILE H H 8.41 . . 88 353 53 ILE CA C 60.69 . . 89 353 53 ILE N N 124.57 . . 90 354 54 SER H H 8.67 . . 91 354 54 SER CA C 57.77 . . 92 354 54 SER N N 124.17 . . 93 355 55 GLU H H 8.68 . . 94 355 55 GLU CA C 58.64 . . 95 355 55 GLU N N 119.91 . . 96 356 56 ASP H H 7.58 . . 97 356 56 ASP CA C 52.15 . . 98 356 56 ASP N N 115.13 . . 99 357 57 GLY H H 7.90 . . 100 357 57 GLY CA C 46.15 . . 101 357 57 GLY N N 107.64 . . 102 358 58 SER CA C 58.33 . . 103 359 59 MET H H 9.06 . . 104 359 59 MET CA C 54.72 . . 105 359 59 MET N N 126.82 . . 106 360 60 SER H H 8.35 . . 107 360 60 SER CA C 56.71 . . 108 360 60 SER N N 115.25 . . 109 361 61 ILE H H 8.73 . . 110 361 61 ILE CA C 61.90 . . 111 361 61 ILE N N 124.43 . . 112 362 62 LYS H H 8.68 . . 113 362 62 LYS CA C 56.14 . . 114 362 62 LYS N N 130.02 . . 115 363 63 ASN H H 8.20 . . 116 363 63 ASN CA C 56.21 . . 117 363 63 ASN N N 121.63 . . 118 364 64 GLU H H 8.17 . . 119 364 64 GLU CA C 54.18 . . 120 364 64 GLU N N 121.93 . . stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name NS3 _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 11 11 GLY C C 171.96 . . 2 11 11 GLY CA C 46.17 . . 3 12 12 VAL H H 7.84 . . 4 12 12 VAL CA C 58.29 . . 5 12 12 VAL N N 116.98 . . 6 15 15 ASP C C 172.69 . . 7 15 15 ASP CA C 53.71 . . 8 16 16 VAL H H 7.71 . . 9 16 16 VAL CA C 59.23 . . 10 16 16 VAL N N 121.35 . . 11 17 17 PRO C C 174.08 . . 12 17 17 PRO CA C 62.75 . . 13 18 18 SER H H 8.18 . . 14 18 18 SER CA C 56.09 . . 15 18 18 SER N N 117.89 . . 16 21 21 PRO C C 174.35 . . 17 21 21 PRO CA C 62.41 . . 18 22 22 VAL H H 8.05 . . 19 22 22 VAL C C 174.15 . . 20 22 22 VAL CA C 61.98 . . 21 22 22 VAL N N 120.66 . . 22 23 23 GLY H H 8.32 . . 23 23 23 GLY C C 171.16 . . 24 23 23 GLY CA C 44.69 . . 25 23 23 GLY N N 112.68 . . 26 24 24 LYS H H 8.04 . . 27 24 24 LYS C C 173.64 . . 28 24 24 LYS CA C 55.71 . . 29 24 24 LYS N N 121.48 . . 30 25 25 ALA H H 8.28 . . 31 25 25 ALA C C 175.74 . . 32 25 25 ALA CA C 52.11 . . 33 25 25 ALA N N 125.57 . . 34 26 26 GLU H H 7.72 . . 35 26 26 GLU CA C 51.76 . . 36 26 26 GLU N N 129.61 . . 37 28 28 GLU C C 173.10 . . 38 28 28 GLU CA C 54.42 . . 39 29 29 ASP H H 7.62 . . 40 29 29 ASP C C 174.40 . . 41 29 29 ASP CA C 55.41 . . 42 29 29 ASP N N 120.08 . . 43 30 30 GLY H H 8.66 . . 44 30 30 GLY C C 168.58 . . 45 30 30 GLY CA C 44.89 . . 46 30 30 GLY N N 108.18 . . 47 31 31 ALA H H 9.29 . . 48 31 31 ALA C C 173.98 . . 49 31 31 ALA CA C 50.32 . . 50 31 31 ALA N N 122.94 . . 51 32 32 TYR H H 9.39 . . 52 32 32 TYR C C 172.17 . . 53 32 32 TYR CA C 56.52 . . 54 32 32 TYR N N 123.24 . . 55 33 33 ARG H H 9.09 . . 56 33 33 ARG C C 172.18 . . 57 33 33 ARG CA C 54.78 . . 58 33 33 ARG N N 117.12 . . 59 34 34 ILE H H 8.73 . . 60 34 34 ILE C C 172.67 . . 61 34 34 ILE CA C 60.70 . . 62 34 34 ILE N N 121.53 . . 63 35 35 LYS H H 9.43 . . 64 35 35 LYS C C 171.19 . . 65 35 35 LYS CA C 53.97 . . 66 35 35 LYS N N 127.11 . . 67 36 36 GLN H H 9.06 . . 68 36 36 GLN C C 172.79 . . 69 36 36 GLN CA C 53.61 . . 70 36 36 GLN N N 122.11 . . 71 37 37 LYS H H 8.99 . . 72 37 37 LYS C C 172.74 . . 73 37 37 LYS CA C 56.97 . . 74 37 37 LYS N N 131.52 . . 75 38 38 GLY H H 7.75 . . 76 38 38 GLY C C 171.76 . . 77 38 38 GLY CA C 43.80 . . 78 38 38 GLY N N 115.73 . . 79 39 39 ILE H H 8.28 . . 80 39 39 ILE C C 174.75 . . 81 39 39 ILE CA C 63.45 . . 82 39 39 ILE N N 121.21 . . 83 40 40 LEU H H 8.19 . . 84 40 40 LEU C C 174.13 . . 85 40 40 LEU CA C 54.02 . . 86 40 40 LEU N N 119.43 . . 87 41 41 GLY H H 7.30 . . 88 41 41 GLY C C 173.20 . . 89 41 41 GLY CA C 43.99 . . 90 41 41 GLY N N 108.00 . . 91 42 42 TYR H H 8.69 . . 92 42 42 TYR C C 174.09 . . 93 42 42 TYR CA C 58.09 . . 94 42 42 TYR N N 120.75 . . 95 43 43 SER H H 8.48 . . 96 43 43 SER CA C 56.81 . . 97 43 43 SER N N 116.06 . . 98 44 44 GLN C C 172.82 . . 99 44 44 GLN CA C 56.07 . . 100 45 45 ILE H H 8.58 . . 101 45 45 ILE C C 172.58 . . 102 45 45 ILE CA C 60.45 . . 103 45 45 ILE N N 120.71 . . 104 46 46 GLY H H 7.70 . . 105 46 46 GLY C C 167.98 . . 106 46 46 GLY CA C 46.01 . . 107 46 46 GLY N N 111.13 . . 108 47 47 ALA H H 9.24 . . 109 47 47 ALA C C 172.41 . . 110 47 47 ALA CA C 50.50 . . 111 47 47 ALA N N 125.10 . . 112 48 48 GLY H H 8.65 . . 113 48 48 GLY C C 170.37 . . 114 48 48 GLY CA C 46.39 . . 115 48 48 GLY N N 104.78 . . 116 49 49 VAL H H 8.26 . . 117 49 49 VAL C C 172.46 . . 118 49 49 VAL CA C 59.52 . . 119 49 49 VAL N N 116.39 . . 120 50 50 TYR H H 10.00 . . 121 50 50 TYR C C 172.34 . . 122 50 50 TYR CA C 56.96 . . 123 50 50 TYR N N 134.79 . . 124 51 51 LYS H H 8.84 . . 125 51 51 LYS C C 171.99 . . 126 51 51 LYS CA C 55.92 . . 127 51 51 LYS N N 128.37 . . 128 52 52 GLU H H 9.18 . . 129 52 52 GLU C C 173.83 . . 130 52 52 GLU CA C 56.59 . . 131 52 52 GLU N N 126.54 . . 132 53 53 GLY H H 8.39 . . 133 53 53 GLY C C 171.01 . . 134 53 53 GLY CA C 45.42 . . 135 53 53 GLY N N 105.08 . . 136 54 54 THR H H 7.35 . . 137 54 54 THR C C 169.43 . . 138 54 54 THR CA C 60.42 . . 139 54 54 THR N N 117.62 . . 140 55 55 PHE H H 8.87 . . 141 55 55 PHE C C 170.12 . . 142 55 55 PHE CA C 56.87 . . 143 55 55 PHE N N 126.66 . . 144 56 56 HIS H H 7.84 . . 145 56 56 HIS C C 170.78 . . 146 56 56 HIS CA C 55.07 . . 147 56 56 HIS N N 127.28 . . 148 57 57 THR H H 8.83 . . 149 57 57 THR C C 170.15 . . 150 57 57 THR CA C 60.09 . . 151 57 57 THR N N 117.49 . . 152 58 58 MET H H 8.52 . . 153 58 58 MET C C 174.90 . . 154 58 58 MET CA C 54.32 . . 155 58 58 MET N N 117.52 . . 156 59 59 TRP H H 7.27 . . 157 59 59 TRP C C 175.98 . . 158 59 59 TRP CA C 61.32 . . 159 59 59 TRP N N 126.03 . . 160 60 60 HIS H H 9.91 . . 161 60 60 HIS C C 172.44 . . 162 60 60 HIS CA C 58.66 . . 163 60 60 HIS N N 113.16 . . 164 61 61 VAL H H 6.86 . . 165 61 61 VAL C C 172.98 . . 166 61 61 VAL CA C 64.44 . . 167 61 61 VAL N N 119.56 . . 168 62 62 THR H H 6.18 . . 169 62 62 THR C C 172.96 . . 170 62 62 THR CA C 60.35 . . 171 62 62 THR N N 101.58 . . 172 63 63 ARG H H 8.85 . . 173 63 63 ARG C C 172.84 . . 174 63 63 ARG CA C 55.61 . . 175 63 63 ARG N N 121.34 . . 176 64 64 GLY H H 6.72 . . 177 64 64 GLY C C 170.54 . . 178 64 64 GLY CA C 44.49 . . 179 64 64 GLY N N 101.39 . . 180 65 65 ALA H H 7.23 . . 181 65 65 ALA C C 175.06 . . 182 65 65 ALA CA C 51.62 . . 183 65 65 ALA N N 121.25 . . 184 66 66 VAL H H 8.30 . . 185 66 66 VAL C C 171.34 . . 186 66 66 VAL CA C 63.60 . . 187 66 66 VAL N N 120.62 . . 188 67 67 LEU H H 7.81 . . 189 67 67 LEU C C 172.30 . . 190 67 67 LEU CA C 52.28 . . 191 67 67 LEU N N 122.65 . . 192 68 68 MET H H 8.03 . . 193 68 68 MET C C 172.77 . . 194 68 68 MET CA C 52.64 . . 195 68 68 MET N N 117.69 . . 196 69 69 HIS H H 8.68 . . 197 69 69 HIS C C 171.83 . . 198 69 69 HIS CA C 55.81 . . 199 69 69 HIS N N 120.24 . . 200 70 70 LYS H H 9.37 . . 201 70 70 LYS C C 173.91 . . 202 70 70 LYS CA C 56.54 . . 203 70 70 LYS N N 128.69 . . 204 71 71 GLY H H 8.60 . . 205 71 71 GLY C C 170.98 . . 206 71 71 GLY CA C 44.83 . . 207 71 71 GLY N N 104.91 . . 208 72 72 LYS H H 7.77 . . 209 72 72 LYS C C 172.19 . . 210 72 72 LYS CA C 54.51 . . 211 72 72 LYS N N 122.44 . . 212 73 73 ARG H H 8.27 . . 213 73 73 ARG C C 173.64 . . 214 73 73 ARG CA C 55.65 . . 215 73 73 ARG N N 124.11 . . 216 74 74 ILE H H 9.23 . . 217 74 74 ILE C C 172.13 . . 218 74 74 ILE CA C 60.56 . . 219 74 74 ILE N N 125.87 . . 220 75 75 GLU H H 8.53 . . 221 75 75 GLU CA C 53.92 . . 222 75 75 GLU N N 125.47 . . 223 76 76 PRO C C 174.42 . . 224 76 76 PRO CA C 61.08 . . 225 77 77 SER H H 9.82 . . 226 77 77 SER C C 170.75 . . 227 77 77 SER CA C 58.68 . . 228 77 77 SER N N 123.17 . . 229 78 78 TRP H H 7.75 . . 230 78 78 TRP C C 169.77 . . 231 78 78 TRP CA C 57.64 . . 232 78 78 TRP N N 124.19 . . 233 79 79 ALA H H 6.98 . . 234 79 79 ALA C C 172.10 . . 235 79 79 ALA CA C 51.25 . . 236 79 79 ALA N N 126.05 . . 237 80 80 ASP H H 7.50 . . 238 80 80 ASP C C 173.45 . . 239 80 80 ASP CA C 52.88 . . 240 80 80 ASP N N 117.84 . . 241 81 81 VAL H H 8.17 . . 242 81 81 VAL C C 174.41 . . 243 81 81 VAL CA C 65.31 . . 244 81 81 VAL N N 125.87 . . 245 82 82 LYS H H 7.56 . . 246 82 82 LYS C C 175.28 . . 247 82 82 LYS CA C 59.00 . . 248 82 82 LYS N N 121.04 . . 249 83 83 LYS H H 7.32 . . 250 83 83 LYS C C 173.30 . . 251 83 83 LYS CA C 56.35 . . 252 83 83 LYS N N 115.94 . . 253 84 84 ASP H H 7.83 . . 254 84 84 ASP C C 172.36 . . 255 84 84 ASP CA C 54.49 . . 256 84 84 ASP N N 118.13 . . 257 85 85 LEU H H 7.64 . . 258 85 85 LEU C C 171.94 . . 259 85 85 LEU CA C 53.91 . . 260 85 85 LEU N N 116.90 . . 261 86 86 ILE H H 8.59 . . 262 86 86 ILE C C 168.70 . . 263 86 86 ILE CA C 59.95 . . 264 86 86 ILE N N 118.91 . . 265 87 87 SER H H 9.87 . . 266 87 87 SER C C 171.16 . . 267 87 87 SER CA C 56.57 . . 268 87 87 SER N N 121.41 . . 269 88 88 TYR H H 9.34 . . 270 88 88 TYR C C 173.10 . . 271 88 88 TYR CA C 56.91 . . 272 88 88 TYR N N 121.00 . . 273 89 89 GLY H H 8.27 . . 274 89 89 GLY C C 170.48 . . 275 89 89 GLY CA C 45.46 . . 276 89 89 GLY N N 112.76 . . 277 90 90 GLY H H 7.33 . . 278 90 90 GLY C C 169.94 . . 279 90 90 GLY CA C 43.72 . . 280 90 90 GLY N N 108.20 . . 281 91 91 GLY H H 8.22 . . 282 91 91 GLY C C 169.59 . . 283 91 91 GLY CA C 43.45 . . 284 91 91 GLY N N 106.22 . . 285 92 92 TRP H H 7.88 . . 286 92 92 TRP C C 175.52 . . 287 92 92 TRP CA C 59.57 . . 288 92 92 TRP N N 120.05 . . 289 93 93 LYS H H 11.26 . . 290 93 93 LYS C C 174.12 . . 291 93 93 LYS CA C 53.64 . . 292 93 93 LYS N N 127.68 . . 293 94 94 LEU H H 5.71 . . 294 94 94 LEU C C 174.48 . . 295 94 94 LEU CA C 54.74 . . 296 94 94 LEU N N 117.95 . . 297 95 95 GLU H H 8.94 . . 298 95 95 GLU C C 174.34 . . 299 95 95 GLU CA C 55.73 . . 300 95 95 GLU N N 121.27 . . 301 96 96 GLY H H 7.63 . . 302 96 96 GLY C C 170.11 . . 303 96 96 GLY CA C 46.05 . . 304 96 96 GLY N N 109.48 . . 305 97 97 GLU H H 8.62 . . 306 97 97 GLU C C 172.67 . . 307 97 97 GLU CA C 54.09 . . 308 97 97 GLU N N 125.72 . . 309 98 98 TRP H H 9.33 . . 310 98 98 TRP C C 171.81 . . 311 98 98 TRP CA C 58.88 . . 312 98 98 TRP N N 129.90 . . 313 99 99 LYS H H 7.19 . . 314 99 99 LYS C C 170.27 . . 315 99 99 LYS CA C 53.29 . . 316 99 99 LYS N N 130.11 . . 317 100 100 GLU H H 7.38 . . 318 100 100 GLU C C 171.79 . . 319 100 100 GLU CA C 57.21 . . 320 100 100 GLU N N 121.57 . . 321 101 101 GLY H H 7.80 . . 322 101 101 GLY C C 172.86 . . 323 101 101 GLY CA C 44.65 . . 324 101 101 GLY N N 113.35 . . 325 102 102 GLU H H 8.03 . . 326 102 102 GLU CA C 53.69 . . 327 102 102 GLU N N 122.18 . . 328 103 103 GLU C C 172.87 . . 329 103 103 GLU CA C 56.91 . . 330 104 104 VAL H H 8.68 . . 331 104 104 VAL C C 172.19 . . 332 104 104 VAL CA C 58.42 . . 333 104 104 VAL N N 110.15 . . 334 105 105 GLN H H 9.01 . . 335 105 105 GLN C C 173.63 . . 336 105 105 GLN CA C 53.13 . . 337 105 105 GLN N N 117.00 . . 338 106 106 VAL H H 8.77 . . 339 106 106 VAL C C 173.38 . . 340 106 106 VAL CA C 61.26 . . 341 106 106 VAL N N 121.52 . . 342 107 107 LEU H H 8.06 . . 343 107 107 LEU C C 172.91 . . 344 107 107 LEU CA C 57.46 . . 345 107 107 LEU N N 123.51 . . 346 108 108 ALA H H 7.73 . . 347 108 108 ALA CA C 55.64 . . 348 108 108 ALA N N 123.16 . . 349 109 109 LEU C C 172.14 . . 350 109 109 LEU CA C 51.84 . . 351 110 110 GLU H H 7.98 . . 352 110 110 GLU CA C 54.20 . . 353 110 110 GLU N N 121.12 . . 354 111 111 PRO C C 175.21 . . 355 111 111 PRO CA C 63.25 . . 356 112 112 GLY H H 8.77 . . 357 112 112 GLY C C 170.72 . . 358 112 112 GLY CA C 45.40 . . 359 112 112 GLY N N 112.10 . . 360 113 113 LYS H H 7.60 . . 361 113 113 LYS C C 173.59 . . 362 113 113 LYS CA C 53.23 . . 363 113 113 LYS N N 118.75 . . 364 114 114 ASN H H 8.60 . . 365 114 114 ASN CA C 51.75 . . 366 114 114 ASN N N 120.89 . . 367 115 115 PRO C C 172.09 . . 368 115 115 PRO CA C 63.29 . . 369 116 116 ARG H H 7.80 . . 370 116 116 ARG C C 169.43 . . 371 116 116 ARG CA C 54.82 . . 372 116 116 ARG N N 123.50 . . 373 117 117 ALA H H 8.31 . . 374 117 117 ALA C C 174.32 . . 375 117 117 ALA CA C 56.14 . . 376 117 117 ALA N N 127.06 . . 377 118 118 VAL H H 8.34 . . 378 118 118 VAL C C 171.20 . . 379 118 118 VAL CA C 61.40 . . 380 118 118 VAL N N 122.75 . . 381 119 119 GLN H H 9.26 . . 382 119 119 GLN C C 170.95 . . 383 119 119 GLN CA C 54.04 . . 384 119 119 GLN N N 130.30 . . 385 120 120 THR H H 9.02 . . 386 120 120 THR C C 168.09 . . 387 120 120 THR CA C 60.14 . . 388 120 120 THR N N 118.00 . . 389 121 121 LYS H H 7.82 . . 390 121 121 LYS C C 175.77 . . 391 121 121 LYS CA C 52.57 . . 392 121 121 LYS N N 127.83 . . 393 122 122 PRO CA C 63.06 . . 394 123 123 GLY H H 8.55 . . 395 123 123 GLY C C 169.72 . . 396 123 123 GLY CA C 42.87 . . 397 123 123 GLY N N 107.97 . . 398 124 124 LEU H H 8.43 . . 399 124 124 LEU C C 172.76 . . 400 124 124 LEU CA C 53.76 . . 401 124 124 LEU N N 118.21 . . 402 125 125 PHE H H 9.30 . . 403 125 125 PHE C C 173.31 . . 404 125 125 PHE CA C 52.93 . . 405 125 125 PHE N N 119.71 . . 406 126 126 LYS H H 9.15 . . 407 126 126 LYS C C 173.76 . . 408 126 126 LYS CA C 55.49 . . 409 126 126 LYS N N 122.85 . . 410 127 127 THR H H 8.14 . . 411 127 127 THR CA C 59.40 . . 412 127 127 THR N N 115.97 . . 413 129 129 THR C C 172.96 . . 414 129 129 THR CA C 65.44 . . 415 130 130 GLY H H 9.54 . . 416 130 130 GLY C C 170.57 . . 417 130 130 GLY CA C 44.61 . . 418 130 130 GLY N N 116.22 . . 419 131 131 THR H H 8.46 . . 420 131 131 THR C C 171.79 . . 421 131 131 THR CA C 60.66 . . 422 131 131 THR N N 116.36 . . 423 132 132 ILE H H 9.01 . . 424 132 132 ILE C C 172.34 . . 425 132 132 ILE CA C 59.63 . . 426 132 132 ILE N N 123.69 . . 427 133 133 GLY H H 8.94 . . 428 133 133 GLY C C 169.03 . . 429 133 133 GLY CA C 46.21 . . 430 133 133 GLY N N 112.28 . . 431 134 134 ALA H H 6.89 . . 432 134 134 ALA C C 172.94 . . 433 134 134 ALA CA C 49.67 . . 434 134 134 ALA N N 124.25 . . 435 135 135 VAL H H 9.11 . . 436 135 135 VAL C C 172.27 . . 437 135 135 VAL CA C 58.63 . . 438 135 135 VAL N N 117.23 . . 439 136 136 SER H H 9.59 . . 440 136 136 SER C C 170.77 . . 441 136 136 SER CA C 54.56 . . 442 136 136 SER N N 127.60 . . 443 137 137 LEU H H 6.87 . . 444 137 137 LEU C C 172.15 . . 445 137 137 LEU CA C 52.88 . . 446 137 137 LEU N N 119.57 . . 447 138 138 ASP H H 8.58 . . 448 138 138 ASP C C 171.44 . . 449 138 138 ASP CA C 52.90 . . 450 138 138 ASP N N 125.91 . . 451 139 139 PHE H H 7.28 . . 452 139 139 PHE C C 171.63 . . 453 139 139 PHE CA C 55.55 . . 454 139 139 PHE N N 123.32 . . 455 140 140 SER H H 9.28 . . 456 140 140 SER CA C 57.58 . . 457 140 140 SER N N 114.27 . . 458 141 141 PRO C C 171.47 . . 459 141 141 PRO CA C 60.58 . . 460 142 142 GLY H H 7.30 . . 461 142 142 GLY C C 170.14 . . 462 142 142 GLY CA C 44.61 . . 463 142 142 GLY N N 111.00 . . 464 143 143 THR H H 7.56 . . 465 143 143 THR C C 172.57 . . 466 143 143 THR CA C 63.38 . . 467 143 143 THR N N 117.33 . . 468 144 144 SER H H 10.05 . . 469 144 144 SER C C 170.55 . . 470 144 144 SER CA C 62.00 . . 471 144 144 SER N N 125.57 . . 472 145 145 GLY H H 9.90 . . 473 145 145 GLY C C 170.06 . . 474 145 145 GLY CA C 43.86 . . 475 145 145 GLY N N 111.05 . . 476 146 146 SER H H 8.10 . . 477 146 146 SER CA C 59.27 . . 478 146 146 SER N N 116.21 . . 479 147 147 PRO C C 170.62 . . 480 147 147 PRO CA C 62.11 . . 481 148 148 ILE H H 8.24 . . 482 148 148 ILE C C 173.01 . . 483 148 148 ILE CA C 59.78 . . 484 148 148 ILE N N 120.31 . . 485 149 149 VAL H H 9.76 . . 486 149 149 VAL C C 172.74 . . 487 149 149 VAL CA C 60.04 . . 488 149 149 VAL N N 126.07 . . 489 150 150 ASP H H 8.72 . . 490 150 150 ASP CA C 51.71 . . 491 150 150 ASP N N 122.58 . . 492 151 151 LYS H H 7.78 . . 493 151 151 LYS CA C 57.68 . . 494 151 151 LYS N N 116.36 . . 495 152 152 LYS H H 7.72 . . 496 152 152 LYS CA C 55.04 . . 497 152 152 LYS N N 118.90 . . 498 153 153 GLY H H 8.63 . . 499 153 153 GLY CA C 45.19 . . 500 153 153 GLY N N 110.15 . . 501 154 154 LYS H H 8.39 . . 502 154 154 LYS CA C 53.69 . . 503 154 154 LYS N N 120.20 . . 504 155 155 VAL H H 8.90 . . 505 155 155 VAL CA C 62.14 . . 506 155 155 VAL N N 123.33 . . 507 156 156 VAL H H 8.88 . . 508 156 156 VAL CA C 60.07 . . 509 156 156 VAL N N 120.84 . . 510 157 157 GLY H H 7.38 . . 511 157 157 GLY CA C 44.58 . . 512 157 157 GLY N N 104.94 . . 513 158 158 LEU H H 9.21 . . 514 158 158 LEU CA C 53.03 . . 515 158 158 LEU N N 117.58 . . 516 159 159 TYR H H 8.52 . . 517 159 159 TYR CA C 57.87 . . 518 159 159 TYR N N 121.88 . . 519 160 160 GLY H H 7.77 . . 520 160 160 GLY CA C 45.81 . . 521 160 160 GLY N N 113.60 . . 522 161 161 ASN H H 9.20 . . 523 161 161 ASN CA C 52.32 . . 524 161 161 ASN N N 121.79 . . 525 162 162 GLY H H 7.81 . . 526 162 162 GLY CA C 46.38 . . 527 162 162 GLY N N 113.29 . . 528 163 163 VAL H H 8.34 . . 529 163 163 VAL CA C 58.66 . . 530 163 163 VAL N N 112.34 . . 531 164 164 VAL H H 7.57 . . 532 164 164 VAL CA C 60.09 . . 533 164 164 VAL N N 118.41 . . 534 165 165 THR H H 8.87 . . 535 165 165 THR CA C 61.06 . . 536 165 165 THR N N 118.47 . . 537 167 167 SER CA C 58.17 . . 538 168 168 GLY H H 8.01 . . 539 168 168 GLY CA C 44.47 . . 540 168 168 GLY N N 111.22 . . 541 169 169 ALA H H 7.14 . . 542 169 169 ALA CA C 51.25 . . 543 169 169 ALA N N 124.54 . . 544 170 170 TYR H H 8.02 . . 545 170 170 TYR CA C 57.54 . . 546 170 170 TYR N N 123.47 . . 547 171 171 VAL H H 7.82 . . 548 171 171 VAL CA C 59.58 . . 549 171 171 VAL N N 126.66 . . 550 172 172 SER H H 8.33 . . 551 172 172 SER CA C 55.69 . . 552 172 172 SER N N 117.65 . . 553 173 173 ALA H H 9.44 . . 554 173 173 ALA CA C 52.90 . . 555 173 173 ALA N N 130.04 . . 556 174 174 ILE H H 7.68 . . 557 174 174 ILE CA C 61.61 . . 558 174 174 ILE N N 122.47 . . 559 175 175 ALA H H 7.50 . . 560 175 175 ALA CA C 53.04 . . 561 175 175 ALA N N 131.09 . . 562 176 176 GLN H H 8.14 . . 563 176 176 GLN CA C 52.88 . . 564 176 176 GLN N N 124.85 . . 565 177 177 THR H H 7.89 . . 566 177 177 THR CA C 59.28 . . 567 177 177 THR N N 118.81 . . 568 178 178 GLU H H 7.65 . . 569 178 178 GLU CA C 56.45 . . 570 178 178 GLU N N 121.81 . . 571 179 179 LYS H H 8.20 . . 572 179 179 LYS CA C 56.51 . . 573 179 179 LYS N N 123.30 . . 574 180 180 SER H H 8.65 . . 575 180 180 SER CA C 57.72 . . 576 180 180 SER N N 120.44 . . 577 181 181 ILE H H 8.17 . . 578 181 181 ILE CA C 60.59 . . 579 181 181 ILE N N 123.64 . . 580 182 182 GLU H H 8.22 . . 581 182 182 GLU CA C 55.86 . . 582 182 182 GLU N N 124.61 . . 583 183 183 ASP H H 8.22 . . 584 183 183 ASP CA C 53.99 . . 585 183 183 ASP N N 122.23 . . 586 184 184 ASN H H 8.28 . . 587 184 184 ASN CA C 50.95 . . 588 184 184 ASN N N 120.05 . . 589 185 185 PRO CA C 62.98 . . 590 186 186 GLU H H 8.25 . . 591 186 186 GLU CA C 56.16 . . 592 186 186 GLU N N 120.82 . . 593 187 187 ILE H H 7.90 . . 594 187 187 ILE CA C 60.51 . . 595 187 187 ILE N N 121.91 . . 596 190 190 ASP CA C 55.10 . . 597 191 191 ILE H H 8.07 . . 598 191 191 ILE N N 108.29 . . stop_ save_