data_27550 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Shr Hemoglobin Interacting Domain 2 ; _BMRB_accession_number 27550 _BMRB_flat_file_name bmr27550.str _Entry_type original _Submission_date 2018-07-17 _Accession_date 2018-07-17 _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 Macdonald Ramsay . . 2 Cascio Duilio . . 3 Collazo Michael J. . 4 Phillips Martin . . 5 Clubb Robert T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 431 "13C chemical shifts" 357 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-01-24 update BMRB 'update entry citation' 2018-10-08 original author 'original release' stop_ _Original_release_date 2018-07-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Streptococcus pyogenes Shr protein captures human hemoglobin using two structurally unique binding domains ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30301765 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Macdonald Ramsay . . 2 Cascio Duilio . . 3 Collazo Michael J. . 4 Phillips Martin . . 5 Clubb Robert T. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 293 _Journal_issue 47 _Journal_ISSN 1083-351X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 18365 _Page_last 18377 _Year 2018 _Details . loop_ _Keyword DUF1533 Hemoglobin Shr 'Streptococcus pyogenes' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Shr-HID2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Shr-HID2 $Shr-HID2 stop_ _System_molecular_weight 14400 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Shr-HID2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Shr-HID2 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Hemoglobin binding domain' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 132 _Mol_residue_sequence ; SKTVPQNQGTQKVVKSGKNT ANLSLITKLSQEDGAILFPE IDRYSDNKQIKALTQQITKV TVNGTVYKDLISDSVKDTNG WVSNMTGLHLGTKAFKDGEN TIVISSKGFEDVTITVTKKD GQIHFVSAKQKQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 154 SER 2 155 LYS 3 156 THR 4 157 VAL 5 158 PRO 6 159 GLN 7 160 ASN 8 161 GLN 9 162 GLY 10 163 THR 11 164 GLN 12 165 LYS 13 166 VAL 14 167 VAL 15 168 LYS 16 169 SER 17 170 GLY 18 171 LYS 19 172 ASN 20 173 THR 21 174 ALA 22 175 ASN 23 176 LEU 24 177 SER 25 178 LEU 26 179 ILE 27 180 THR 28 181 LYS 29 182 LEU 30 183 SER 31 184 GLN 32 185 GLU 33 186 ASP 34 187 GLY 35 188 ALA 36 189 ILE 37 190 LEU 38 191 PHE 39 192 PRO 40 193 GLU 41 194 ILE 42 195 ASP 43 196 ARG 44 197 TYR 45 198 SER 46 199 ASP 47 200 ASN 48 201 LYS 49 202 GLN 50 203 ILE 51 204 LYS 52 205 ALA 53 206 LEU 54 207 THR 55 208 GLN 56 209 GLN 57 210 ILE 58 211 THR 59 212 LYS 60 213 VAL 61 214 THR 62 215 VAL 63 216 ASN 64 217 GLY 65 218 THR 66 219 VAL 67 220 TYR 68 221 LYS 69 222 ASP 70 223 LEU 71 224 ILE 72 225 SER 73 226 ASP 74 227 SER 75 228 VAL 76 229 LYS 77 230 ASP 78 231 THR 79 232 ASN 80 233 GLY 81 234 TRP 82 235 VAL 83 236 SER 84 237 ASN 85 238 MET 86 239 THR 87 240 GLY 88 241 LEU 89 242 HIS 90 243 LEU 91 244 GLY 92 245 THR 93 246 LYS 94 247 ALA 95 248 PHE 96 249 LYS 97 250 ASP 98 251 GLY 99 252 GLU 100 253 ASN 101 254 THR 102 255 ILE 103 256 VAL 104 257 ILE 105 258 SER 106 259 SER 107 260 LYS 108 261 GLY 109 262 PHE 110 263 GLU 111 264 ASP 112 265 VAL 113 266 THR 114 267 ILE 115 268 THR 116 269 VAL 117 270 THR 118 271 LYS 119 272 LYS 120 273 ASP 121 274 GLY 122 275 GLN 123 276 ILE 124 277 HIS 125 278 PHE 126 279 VAL 127 280 SER 128 281 ALA 129 282 LYS 130 283 GLN 131 284 LYS 132 285 GLN 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 $Shr-HID2 'Streptococcus pyogenes' 1314 . . Streptococcus pyogenes stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $Shr-HID2 'recombinant technology' . Escherichia coli . pRAM402 'Residues 155-285 of Shr from Streptococcus pyogenes cloned into the pE-SUMO vector.' 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 $Shr-HID2 1.1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _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_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNHB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HBHANH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_CC(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH' _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 6.0 . 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 'liquid anhydrous ammonia' N 15 nitrogen ppm 0.00 external direct . . . 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' '2D 1H-13C HSQC aliphatic' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HNCA' '3D HNHA' '3D HNHB' '3D HBHA(CO)NH' '3D HN(CA)CO' '3D HBHANH' '3D CC(CO)NH' 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 Shr-HID2 _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 1 156 3 THR H H 8.311 . 1 2 156 3 THR HA H 4.329 . 1 3 156 3 THR HB H 4.093 . 1 4 156 3 THR C C 174.182 . 1 5 156 3 THR CA C 61.344 . 1 6 156 3 THR CB C 69.318 . 1 7 156 3 THR N N 116.995 . 1 8 157 4 VAL H H 8.295 . 1 9 157 4 VAL HA H 4.343 . 1 10 157 4 VAL HB H 2.068 . 1 11 157 4 VAL CA C 59.217 . 1 12 157 4 VAL CB C 32.106 . 1 13 157 4 VAL N N 124.534 . 1 14 159 6 GLN H H 8.523 . 1 15 159 6 GLN HA H 4.266 . 1 16 159 6 GLN HB2 H 2.015 . 2 17 159 6 GLN HB3 H 2.015 . 2 18 159 6 GLN C C 175.906 . 1 19 159 6 GLN CA C 55.496 . 1 20 159 6 GLN CB C 28.917 . 1 21 159 6 GLN N N 120.542 . 1 22 160 7 ASN H H 8.509 . 1 23 160 7 ASN HA H 4.631 . 1 24 160 7 ASN HB2 H 2.768 . 2 25 160 7 ASN HB3 H 2.768 . 2 26 160 7 ASN C C 175.221 . 1 27 160 7 ASN CA C 52.837 . 1 28 160 7 ASN CB C 38.477 . 1 29 160 7 ASN N N 119.510 . 1 30 161 8 GLN H H 8.467 . 1 31 161 8 GLN HA H 4.332 . 1 32 161 8 GLN HB2 H 1.968 . 2 33 161 8 GLN HB3 H 2.146 . 2 34 161 8 GLN C C 176.510 . 1 35 161 8 GLN CA C 55.511 . 1 36 161 8 GLN CB C 28.916 . 1 37 161 8 GLN N N 120.969 . 1 38 162 9 GLY H H 8.473 . 1 39 162 9 GLY HA2 H 3.990 . 2 40 162 9 GLY HA3 H 3.990 . 2 41 162 9 GLY C C 174.431 . 1 42 162 9 GLY CA C 44.864 . 1 43 162 9 GLY N N 109.538 . 1 44 163 10 THR H H 8.083 . 1 45 163 10 THR HA H 4.313 . 1 46 163 10 THR HB H 4.183 . 1 47 163 10 THR C C 174.732 . 1 48 163 10 THR CA C 61.346 . 1 49 163 10 THR CB C 69.318 . 1 50 163 10 THR N N 113.523 . 1 51 164 11 GLN H H 8.418 . 1 52 164 11 GLN HA H 4.329 . 1 53 164 11 GLN HB2 H 2.017 . 2 54 164 11 GLN HB3 H 2.017 . 2 55 164 11 GLN C C 175.716 . 1 56 164 11 GLN CA C 55.496 . 1 57 164 11 GLN CB C 28.915 . 1 58 164 11 GLN N N 123.003 . 1 59 165 12 LYS H H 8.368 . 1 60 165 12 LYS HA H 4.268 . 1 61 165 12 LYS HB2 H 1.703 . 2 62 165 12 LYS HB3 H 1.703 . 2 63 165 12 LYS C C 176.287 . 1 64 165 12 LYS CA C 55.507 . 1 65 165 12 LYS CB C 32.633 . 1 66 165 12 LYS N N 123.488 . 1 67 166 13 VAL H H 8.224 . 1 68 166 13 VAL HA H 4.078 . 1 69 166 13 VAL HB H 1.992 . 1 70 166 13 VAL C C 175.936 . 1 71 166 13 VAL CA C 61.873 . 1 72 166 13 VAL CB C 32.615 . 1 73 166 13 VAL N N 122.528 . 1 74 167 14 VAL H H 8.352 . 1 75 167 14 VAL HA H 4.085 . 1 76 167 14 VAL HB H 1.998 . 1 77 167 14 VAL C C 175.937 . 1 78 167 14 VAL CA C 61.413 . 1 79 167 14 VAL CB C 32.543 . 1 80 167 14 VAL N N 125.561 . 1 81 168 15 LYS H H 8.494 . 1 82 168 15 LYS HA H 4.352 . 1 83 168 15 LYS HB2 H 1.766 . 2 84 168 15 LYS HB3 H 1.766 . 2 85 168 15 LYS C C 176.347 . 1 86 168 15 LYS CA C 55.498 . 1 87 168 15 LYS CB C 32.638 . 1 88 168 15 LYS N N 126.405 . 1 89 169 16 SER H H 8.413 . 1 90 169 16 SER HA H 4.392 . 1 91 169 16 SER HB2 H 3.829 . 2 92 169 16 SER HB3 H 3.829 . 2 93 169 16 SER C C 174.973 . 1 94 169 16 SER CA C 57.624 . 1 95 169 16 SER CB C 63.470 . 1 96 169 16 SER N N 117.579 . 1 97 170 17 GLY H H 8.460 . 1 98 170 17 GLY HA2 H 3.954 . 2 99 170 17 GLY HA3 H 3.954 . 2 100 170 17 GLY C C 173.884 . 1 101 170 17 GLY CA C 44.864 . 1 102 170 17 GLY N N 111.019 . 1 103 171 18 LYS H H 8.228 . 1 104 171 18 LYS HA H 4.301 . 1 105 171 18 LYS HB2 H 1.641 . 2 106 171 18 LYS HB3 H 1.641 . 2 107 171 18 LYS C C 176.212 . 1 108 171 18 LYS CA C 55.497 . 1 109 171 18 LYS CB C 33.169 . 1 110 171 18 LYS N N 120.477 . 1 111 172 19 ASN H H 8.516 . 1 112 172 19 ASN HA H 4.802 . 1 113 172 19 ASN HB2 H 2.507 . 2 114 172 19 ASN HB3 H 2.692 . 2 115 172 19 ASN C C 175.198 . 1 116 172 19 ASN CA C 52.830 . 1 117 172 19 ASN CB C 38.826 . 1 118 172 19 ASN N N 119.112 . 1 119 173 20 THR H H 8.303 . 1 120 173 20 THR HA H 4.334 . 1 121 173 20 THR HB H 4.145 . 1 122 173 20 THR C C 173.536 . 1 123 173 20 THR CA C 61.371 . 1 124 173 20 THR CB C 69.337 . 1 125 173 20 THR N N 114.529 . 1 126 174 21 ALA H H 8.342 . 1 127 174 21 ALA HA H 4.520 . 1 128 174 21 ALA HB H 1.289 . 1 129 174 21 ALA C C 176.429 . 1 130 174 21 ALA CA C 50.713 . 1 131 174 21 ALA CB C 20.409 . 1 132 174 21 ALA N N 126.017 . 1 133 175 22 ASN H H 8.455 . 1 134 175 22 ASN HA H 4.770 . 1 135 175 22 ASN HB2 H 2.759 . 2 136 175 22 ASN HB3 H 2.856 . 2 137 175 22 ASN C C 175.271 . 1 138 175 22 ASN CA C 52.838 . 1 139 175 22 ASN CB C 37.951 . 1 140 175 22 ASN N N 117.638 . 1 141 176 23 LEU H H 8.542 . 1 142 176 23 LEU HA H 4.442 . 1 143 176 23 LEU HB2 H 1.458 . 2 144 176 23 LEU HB3 H 1.615 . 2 145 176 23 LEU C C 176.994 . 1 146 176 23 LEU CA C 53.898 . 1 147 176 23 LEU CB C 41.150 . 1 148 176 23 LEU N N 124.999 . 1 149 177 24 SER H H 8.516 . 1 150 177 24 SER C C 174.073 . 1 151 177 24 SER CA C 59.219 . 1 152 177 24 SER CB C 62.928 . 1 153 177 24 SER N N 118.493 . 1 154 178 25 LEU H H 7.060 . 1 155 178 25 LEU HA H 4.010 . 1 156 178 25 LEU HB2 H 1.410 . 2 157 178 25 LEU HB3 H 1.532 . 2 158 178 25 LEU C C 175.160 . 1 159 178 25 LEU CA C 54.964 . 1 160 178 25 LEU CB C 42.209 . 1 161 178 25 LEU N N 118.036 . 1 162 179 26 ILE H H 6.923 . 1 163 179 26 ILE HA H 4.269 . 1 164 179 26 ILE HB H 1.538 . 1 165 179 26 ILE C C 174.977 . 1 166 179 26 ILE CA C 59.219 . 1 167 179 26 ILE CB C 38.487 . 1 168 179 26 ILE N N 116.009 . 1 169 180 27 THR H H 10.933 . 1 170 180 27 THR HB H 4.061 . 1 171 180 27 THR C C 174.105 . 1 172 180 27 THR CA C 60.814 . 1 173 180 27 THR CB C 71.980 . 1 174 180 27 THR N N 117.020 . 1 175 181 28 LYS H H 7.026 . 1 176 181 28 LYS HA H 4.298 . 1 177 181 28 LYS HB2 H 1.647 . 2 178 181 28 LYS HB3 H 1.647 . 2 179 181 28 LYS C C 172.352 . 1 180 181 28 LYS CA C 54.442 . 1 181 181 28 LYS CB C 34.233 . 1 182 181 28 LYS N N 117.977 . 1 183 182 29 LEU H H 8.457 . 1 184 182 29 LEU HA H 4.973 . 1 185 182 29 LEU HB2 H 1.081 . 2 186 182 29 LEU HB3 H 1.455 . 2 187 182 29 LEU C C 175.101 . 1 188 182 29 LEU CA C 53.368 . 1 189 182 29 LEU CB C 44.867 . 1 190 182 29 LEU N N 115.969 . 1 191 183 30 SER H H 9.339 . 1 192 183 30 SER HA H 4.802 . 1 193 183 30 SER HB2 H 3.518 . 2 194 183 30 SER HB3 H 3.764 . 2 195 183 30 SER C C 172.983 . 1 196 183 30 SER CA C 56.555 . 1 197 183 30 SER CB C 65.063 . 1 198 183 30 SER N N 116.130 . 1 199 184 31 GLN H H 9.137 . 1 200 184 31 GLN HA H 4.366 . 1 201 184 31 GLN HB2 H 2.042 . 2 202 184 31 GLN HB3 H 2.155 . 2 203 184 31 GLN C C 174.895 . 1 204 184 31 GLN CA C 57.063 . 1 205 184 31 GLN CB C 29.975 . 1 206 184 31 GLN N N 125.028 . 1 207 185 32 GLU H H 8.364 . 1 208 185 32 GLU HA H 4.641 . 1 209 185 32 GLU HB2 H 1.649 . 2 210 185 32 GLU HB3 H 1.997 . 2 211 185 32 GLU C C 174.760 . 1 212 185 32 GLU CA C 53.900 . 1 213 185 32 GLU CB C 31.588 . 1 214 185 32 GLU N N 125.019 . 1 215 186 33 ASP H H 8.110 . 1 216 186 33 ASP HA H 4.546 . 1 217 186 33 ASP HB2 H 2.588 . 2 218 186 33 ASP HB3 H 2.707 . 2 219 186 33 ASP C C 176.783 . 1 220 186 33 ASP CA C 53.900 . 1 221 186 33 ASP CB C 39.547 . 1 222 186 33 ASP N N 119.581 . 1 223 187 34 GLY H H 8.700 . 1 224 187 34 GLY HA2 H 3.703 . 2 225 187 34 GLY HA3 H 3.892 . 2 226 187 34 GLY C C 174.895 . 1 227 187 34 GLY CA C 47.515 . 1 228 187 34 GLY N N 115.547 . 1 229 188 35 ALA H H 7.422 . 1 230 188 35 ALA HA H 5.317 . 1 231 188 35 ALA HB H 1.203 . 1 232 188 35 ALA C C 175.505 . 1 233 188 35 ALA CA C 51.249 . 1 234 188 35 ALA CB C 23.065 . 1 235 188 35 ALA N N 119.009 . 1 236 189 36 ILE H H 9.105 . 1 237 189 36 ILE HA H 4.819 . 1 238 189 36 ILE HB H 1.475 . 1 239 189 36 ILE C C 172.023 . 1 240 189 36 ILE CA C 59.217 . 1 241 189 36 ILE CB C 42.203 . 1 242 189 36 ILE N N 112.009 . 1 243 190 37 LEU H H 8.741 . 1 244 190 37 LEU HA H 4.993 . 1 245 190 37 LEU HB2 H 0.959 . 2 246 190 37 LEU HB3 H 1.464 . 2 247 190 37 LEU C C 175.309 . 1 248 190 37 LEU CA C 52.294 . 1 249 190 37 LEU CB C 44.859 . 1 250 190 37 LEU N N 122.499 . 1 251 191 38 PHE H H 9.093 . 1 252 191 38 PHE HA H 5.076 . 1 253 191 38 PHE HB2 H 3.049 . 2 254 191 38 PHE HB3 H 3.241 . 2 255 191 38 PHE CA C 54.422 . 1 256 191 38 PHE CB C 39.015 . 1 257 191 38 PHE N N 123.488 . 1 258 193 40 GLU H H 8.478 . 1 259 193 40 GLU HA H 4.163 . 1 260 193 40 GLU HB2 H 2.014 . 2 261 193 40 GLU HB3 H 2.329 . 2 262 193 40 GLU C C 177.989 . 1 263 193 40 GLU CA C 56.544 . 1 264 193 40 GLU CB C 30.490 . 1 265 193 40 GLU N N 111.481 . 1 266 194 41 ILE H H 7.094 . 1 267 194 41 ILE HA H 3.613 . 1 268 194 41 ILE HB H 2.050 . 1 269 194 41 ILE C C 172.557 . 1 270 194 41 ILE CA C 61.340 . 1 271 194 41 ILE CB C 34.236 . 1 272 194 41 ILE N N 120.468 . 1 273 195 42 ASP H H 6.299 . 1 274 195 42 ASP HA H 4.801 . 1 275 195 42 ASP HB2 H 2.473 . 2 276 195 42 ASP HB3 H 2.711 . 2 277 195 42 ASP C C 176.344 . 1 278 195 42 ASP CA C 51.774 . 1 279 195 42 ASP CB C 42.737 . 1 280 195 42 ASP N N 123.506 . 1 281 196 43 ARG H H 8.642 . 1 282 196 43 ARG HA H 4.019 . 1 283 196 43 ARG HB2 H 1.329 . 2 284 196 43 ARG HB3 H 1.613 . 2 285 196 43 ARG C C 173.876 . 1 286 196 43 ARG CA C 57.093 . 1 287 196 43 ARG CB C 28.912 . 1 288 196 43 ARG N N 125.009 . 1 289 197 44 TYR H H 8.519 . 1 290 197 44 TYR HA H 4.607 . 1 291 197 44 TYR HB2 H 2.828 . 2 292 197 44 TYR HB3 H 3.329 . 2 293 197 44 TYR C C 175.599 . 1 294 197 44 TYR CA C 55.562 . 1 295 197 44 TYR CB C 36.884 . 1 296 197 44 TYR N N 118.505 . 1 297 198 45 SER H H 6.978 . 1 298 198 45 SER HA H 3.908 . 1 299 198 45 SER HB2 H 3.616 . 2 300 198 45 SER HB3 H 4.257 . 2 301 198 45 SER C C 174.924 . 1 302 198 45 SER CA C 59.178 . 1 303 198 45 SER CB C 62.941 . 1 304 198 45 SER N N 113.582 . 1 305 199 46 ASP H H 8.672 . 1 306 199 46 ASP HA H 4.489 . 1 307 199 46 ASP HB2 H 2.642 . 2 308 199 46 ASP HB3 H 2.642 . 2 309 199 46 ASP C C 176.649 . 1 310 199 46 ASP CA C 55.448 . 1 311 199 46 ASP CB C 40.607 . 1 312 199 46 ASP N N 124.011 . 1 313 200 47 ASN H H 8.828 . 1 314 200 47 ASN HA H 4.660 . 1 315 200 47 ASN HB2 H 2.668 . 2 316 200 47 ASN HB3 H 3.001 . 2 317 200 47 ASN C C 175.083 . 1 318 200 47 ASN CA C 52.839 . 1 319 200 47 ASN CB C 37.966 . 1 320 200 47 ASN N N 120.519 . 1 321 201 48 LYS H H 8.799 . 1 322 201 48 LYS HA H 3.880 . 1 323 201 48 LYS HB2 H 1.830 . 2 324 201 48 LYS HB3 H 1.830 . 2 325 201 48 LYS C C 178.813 . 1 326 201 48 LYS CA C 59.217 . 1 327 201 48 LYS CB C 32.101 . 1 328 201 48 LYS N N 126.560 . 1 329 202 49 GLN H H 8.036 . 1 330 202 49 GLN HA H 4.269 . 1 331 202 49 GLN HB2 H 2.101 . 2 332 202 49 GLN HB3 H 2.269 . 2 333 202 49 GLN C C 177.436 . 1 334 202 49 GLN CA C 58.693 . 1 335 202 49 GLN CB C 27.853 . 1 336 202 49 GLN N N 119.009 . 1 337 203 50 ILE H H 7.863 . 1 338 203 50 ILE HA H 3.567 . 1 339 203 50 ILE HB H 2.014 . 1 340 203 50 ILE C C 178.675 . 1 341 203 50 ILE CA C 62.408 . 1 342 203 50 ILE CB C 36.357 . 1 343 203 50 ILE N N 119.525 . 1 344 204 51 LYS H H 8.408 . 1 345 204 51 LYS HA H 3.921 . 1 346 204 51 LYS HB2 H 1.646 . 2 347 204 51 LYS HB3 H 1.949 . 2 348 204 51 LYS C C 177.440 . 1 349 204 51 LYS CA C 59.749 . 1 350 204 51 LYS CB C 32.102 . 1 351 204 51 LYS N N 123.497 . 1 352 205 52 ALA H H 7.518 . 1 353 205 52 ALA HA H 4.053 . 1 354 205 52 ALA HB H 1.491 . 1 355 205 52 ALA C C 178.743 . 1 356 205 52 ALA CA C 54.442 . 1 357 205 52 ALA CB C 17.751 . 1 358 205 52 ALA N N 119.525 . 1 359 206 53 LEU H H 7.792 . 1 360 206 53 LEU HA H 3.266 . 1 361 206 53 LEU HB2 H 0.647 . 2 362 206 53 LEU HB3 H 1.169 . 2 363 206 53 LEU C C 180.096 . 1 364 206 53 LEU CA C 58.154 . 1 365 206 53 LEU CB C 41.673 . 1 366 206 53 LEU N N 118.537 . 1 367 207 54 THR H H 8.068 . 1 368 207 54 THR HA H 3.409 . 1 369 207 54 THR HB H 3.771 . 1 370 207 54 THR C C 177.116 . 1 371 207 54 THR CA C 66.593 . 1 372 207 54 THR CB C 67.722 . 1 373 207 54 THR N N 114.495 . 1 374 208 55 GLN H H 8.274 . 1 375 208 55 GLN HA H 3.943 . 1 376 208 55 GLN HB2 H 2.143 . 2 377 208 55 GLN HB3 H 2.143 . 2 378 208 55 GLN C C 177.605 . 1 379 208 55 GLN CA C 58.192 . 1 380 208 55 GLN CB C 28.384 . 1 381 208 55 GLN N N 118.508 . 1 382 209 56 GLN H H 7.560 . 1 383 209 56 GLN HA H 4.535 . 1 384 209 56 GLN HB2 H 2.146 . 2 385 209 56 GLN HB3 H 2.646 . 2 386 209 56 GLN C C 175.550 . 1 387 209 56 GLN CA C 54.435 . 1 388 209 56 GLN CB C 28.380 . 1 389 209 56 GLN N N 114.517 . 1 390 210 57 ILE H H 7.029 . 1 391 210 57 ILE HA H 4.020 . 1 392 210 57 ILE HB H 1.537 . 1 393 210 57 ILE C C 177.216 . 1 394 210 57 ILE CA C 64.000 . 1 395 210 57 ILE CB C 38.483 . 1 396 210 57 ILE N N 121.979 . 1 397 211 58 THR H H 9.328 . 1 398 211 58 THR HA H 4.601 . 1 399 211 58 THR HB H 4.221 . 1 400 211 58 THR C C 175.224 . 1 401 211 58 THR CA C 60.811 . 1 402 211 58 THR CB C 69.851 . 1 403 211 58 THR N N 119.038 . 1 404 212 59 LYS H H 7.558 . 1 405 212 59 LYS HA H 4.624 . 1 406 212 59 LYS HB2 H 1.644 . 2 407 212 59 LYS HB3 H 1.833 . 2 408 212 59 LYS C C 172.707 . 1 409 212 59 LYS CA C 56.548 . 1 410 212 59 LYS CB C 35.306 . 1 411 212 59 LYS N N 123.530 . 1 412 214 61 THR H H 8.751 . 1 413 214 61 THR HA H 5.176 . 1 414 214 61 THR HB H 3.614 . 1 415 214 61 THR C C 173.744 . 1 416 214 61 THR CA C 59.214 . 1 417 214 61 THR CB C 70.911 . 1 418 214 61 THR N N 118.051 . 1 419 215 62 VAL H H 8.711 . 1 420 215 62 VAL HA H 4.365 . 1 421 215 62 VAL HB H 1.575 . 1 422 215 62 VAL C C 175.552 . 1 423 215 62 VAL CA C 60.810 . 1 424 215 62 VAL CB C 33.165 . 1 425 215 62 VAL N N 123.042 . 1 426 216 63 ASN H H 9.353 . 1 427 216 63 ASN HA H 4.391 . 1 428 216 63 ASN HB2 H 3.017 . 2 429 216 63 ASN HB3 H 3.017 . 2 430 216 63 ASN C C 175.883 . 1 431 216 63 ASN CA C 53.903 . 1 432 216 63 ASN CB C 37.353 . 1 433 216 63 ASN N N 124.515 . 1 434 217 64 GLY H H 8.565 . 1 435 217 64 GLY HA2 H 3.462 . 2 436 217 64 GLY HA3 H 4.302 . 2 437 217 64 GLY C C 174.048 . 1 438 217 64 GLY CA C 44.864 . 1 439 217 64 GLY N N 103.542 . 1 440 218 65 THR H H 8.413 . 1 441 218 65 THR HA H 4.311 . 1 442 218 65 THR HB H 4.484 . 1 443 218 65 THR C C 173.774 . 1 444 218 65 THR CA C 62.937 . 1 445 218 65 THR CB C 69.254 . 1 446 218 65 THR N N 120.536 . 1 447 219 66 VAL H H 9.049 . 1 448 219 66 VAL HA H 4.068 . 1 449 219 66 VAL HB H 2.129 . 1 450 219 66 VAL C C 176.072 . 1 451 219 66 VAL CA C 64.001 . 1 452 219 66 VAL CB C 31.505 . 1 453 219 66 VAL N N 130.000 . 1 454 220 67 TYR H H 9.217 . 1 455 220 67 TYR HA H 4.970 . 1 456 220 67 TYR C C 175.661 . 1 457 220 67 TYR CA C 55.498 . 1 458 220 67 TYR CB C 40.077 . 1 459 220 67 TYR N N 131.528 . 1 460 223 70 LEU H H 8.678 . 1 461 223 70 LEU HA H 4.239 . 1 462 223 70 LEU C C 178.648 . 1 463 223 70 LEU CA C 53.901 . 1 464 223 70 LEU CB C 40.603 . 1 465 223 70 LEU N N 127.504 . 1 466 224 71 ILE H H 8.805 . 1 467 224 71 ILE HA H 3.369 . 1 468 224 71 ILE HB H 2.474 . 1 469 224 71 ILE C C 174.811 . 1 470 224 71 ILE CA C 65.597 . 1 471 224 71 ILE CB C 33.700 . 1 472 224 71 ILE N N 118.006 . 1 473 225 72 SER H H 8.531 . 1 474 225 72 SER HA H 4.575 . 1 475 225 72 SER HB2 H 3.767 . 2 476 225 72 SER HB3 H 3.958 . 2 477 225 72 SER C C 173.309 . 1 478 225 72 SER CA C 57.092 . 1 479 225 72 SER CB C 64.499 . 1 480 225 72 SER N N 117.048 . 1 481 226 73 ASP H H 7.455 . 1 482 226 73 ASP HA H 4.564 . 1 483 226 73 ASP HB2 H 2.581 . 2 484 226 73 ASP HB3 H 2.676 . 2 485 226 73 ASP C C 174.725 . 1 486 226 73 ASP CA C 53.840 . 1 487 226 73 ASP CB C 41.674 . 1 488 226 73 ASP N N 123.421 . 1 489 227 74 SER H H 8.149 . 1 490 227 74 SER HA H 4.193 . 1 491 227 74 SER HB2 H 3.617 . 2 492 227 74 SER HB3 H 3.864 . 2 493 227 74 SER C C 175.961 . 1 494 227 74 SER CA C 57.560 . 1 495 227 74 SER CB C 62.940 . 1 496 227 74 SER N N 110.962 . 1 497 228 75 VAL H H 8.058 . 1 498 228 75 VAL HA H 4.411 . 1 499 228 75 VAL HB H 2.256 . 1 500 228 75 VAL C C 177.132 . 1 501 228 75 VAL CA C 59.218 . 1 502 228 75 VAL CB C 31.059 . 1 503 228 75 VAL N N 116.498 . 1 504 229 76 LYS H H 7.560 . 1 505 229 76 LYS HA H 3.914 . 1 506 229 76 LYS HB2 H 1.517 . 2 507 229 76 LYS HB3 H 1.706 . 2 508 229 76 LYS C C 176.888 . 1 509 229 76 LYS CA C 57.091 . 1 510 229 76 LYS CB C 32.110 . 1 511 229 76 LYS N N 125.553 . 1 512 230 77 ASP H H 10.052 . 1 513 230 77 ASP HA H 4.352 . 1 514 230 77 ASP HB2 H 2.769 . 2 515 230 77 ASP HB3 H 2.927 . 2 516 230 77 ASP C C 174.734 . 1 517 230 77 ASP CA C 55.497 . 1 518 230 77 ASP CB C 38.999 . 1 519 230 77 ASP N N 122.535 . 1 520 231 78 THR H H 7.644 . 1 521 231 78 THR HA H 4.672 . 1 522 231 78 THR HB H 3.962 . 1 523 231 78 THR C C 175.486 . 1 524 231 78 THR CA C 60.810 . 1 525 231 78 THR CB C 72.510 . 1 526 231 78 THR N N 105.999 . 1 527 232 79 ASN H H 8.255 . 1 528 232 79 ASN HA H 4.018 . 1 529 232 79 ASN HB2 H 2.334 . 2 530 232 79 ASN HB3 H 2.334 . 2 531 232 79 ASN C C 174.734 . 1 532 232 79 ASN CA C 50.179 . 1 533 232 79 ASN CB C 36.890 . 1 534 232 79 ASN N N 121.043 . 1 535 233 80 GLY H H 7.163 . 1 536 233 80 GLY HA2 H 3.500 . 2 537 233 80 GLY HA3 H 5.503 . 2 538 233 80 GLY C C 171.066 . 1 539 233 80 GLY CA C 43.734 . 1 540 233 80 GLY N N 107.977 . 1 541 234 81 TRP H H 8.934 . 1 542 234 81 TRP HA H 6.177 . 1 543 234 81 TRP HB2 H 3.111 . 2 544 234 81 TRP HB3 H 3.615 . 2 545 234 81 TRP C C 173.446 . 1 546 234 81 TRP CA C 53.903 . 1 547 234 81 TRP CB C 33.887 . 1 548 234 81 TRP N N 119.083 . 1 549 235 82 VAL H H 9.007 . 1 550 235 82 VAL HA H 4.503 . 1 551 235 82 VAL HB H 1.834 . 1 552 235 82 VAL C C 175.257 . 1 553 235 82 VAL CA C 60.812 . 1 554 235 82 VAL CB C 37.419 . 1 555 235 82 VAL N N 114.501 . 1 556 236 83 SER H H 9.217 . 1 557 236 83 SER HA H 5.571 . 1 558 236 83 SER HB2 H 3.958 . 2 559 236 83 SER HB3 H 3.958 . 2 560 236 83 SER C C 174.099 . 1 561 236 83 SER CA C 55.489 . 1 562 236 83 SER CB C 63.471 . 1 563 236 83 SER N N 121.615 . 1 564 237 84 ASN H H 9.129 . 1 565 237 84 ASN HA H 5.096 . 1 566 237 84 ASN HB2 H 2.990 . 2 567 237 84 ASN HB3 H 3.612 . 2 568 237 84 ASN C C 177.080 . 1 569 237 84 ASN CA C 51.774 . 1 570 237 84 ASN CB C 38.484 . 1 571 237 84 ASN N N 126.979 . 1 572 239 86 THR H H 8.095 . 1 573 239 86 THR HA H 4.505 . 1 574 239 86 THR C C 173.384 . 1 575 239 86 THR CA C 60.813 . 1 576 239 86 THR CB C 68.796 . 1 577 239 86 THR N N 106.123 . 1 578 240 87 GLY H H 7.582 . 1 579 240 87 GLY HA2 H 3.746 . 2 580 240 87 GLY HA3 H 4.512 . 2 581 240 87 GLY C C 171.480 . 1 582 240 87 GLY CA C 44.332 . 1 583 240 87 GLY N N 107.019 . 1 584 241 88 LEU H H 7.274 . 1 585 241 88 LEU HA H 5.302 . 1 586 241 88 LEU HB2 H 1.569 . 2 587 241 88 LEU HB3 H 2.137 . 2 588 241 88 LEU C C 175.140 . 1 589 241 88 LEU CA C 53.885 . 1 590 241 88 LEU CB C 43.267 . 1 591 241 88 LEU N N 122.536 . 1 592 242 89 HIS H H 9.900 . 1 593 242 89 HIS HA H 5.522 . 1 594 242 89 HIS HB2 H 2.869 . 2 595 242 89 HIS HB3 H 3.255 . 2 596 242 89 HIS C C 174.546 . 1 597 242 89 HIS CA C 53.369 . 1 598 242 89 HIS CB C 29.977 . 1 599 242 89 HIS N N 127.005 . 1 600 243 90 LEU H H 9.675 . 1 601 243 90 LEU HA H 5.529 . 1 602 243 90 LEU CA C 53.927 . 1 603 243 90 LEU CB C 45.346 . 1 604 243 90 LEU N N 122.946 . 1 605 245 92 THR H H 7.960 . 1 606 245 92 THR HA H 4.565 . 1 607 245 92 THR HB H 4.290 . 1 608 245 92 THR C C 176.783 . 1 609 245 92 THR CA C 60.280 . 1 610 245 92 THR CB C 66.136 . 1 611 245 92 THR N N 108.562 . 1 612 246 93 LYS H H 7.139 . 1 613 246 93 LYS HA H 3.956 . 1 614 246 93 LYS HB2 H 1.068 . 2 615 246 93 LYS HB3 H 1.710 . 2 616 246 93 LYS C C 177.354 . 1 617 246 93 LYS CA C 60.279 . 1 618 246 93 LYS CB C 32.103 . 1 619 246 93 LYS N N 123.178 . 1 620 247 94 ALA H H 7.414 . 1 621 247 94 ALA HA H 4.691 . 1 622 247 94 ALA HB H 1.761 . 1 623 247 94 ALA C C 177.799 . 1 624 247 94 ALA CA C 52.298 . 1 625 247 94 ALA CB C 19.347 . 1 626 247 94 ALA N N 114.058 . 1 627 248 95 PHE H H 7.799 . 1 628 248 95 PHE HA H 4.271 . 1 629 248 95 PHE HB2 H 2.519 . 2 630 248 95 PHE HB3 H 3.501 . 2 631 248 95 PHE C C 175.012 . 1 632 248 95 PHE CA C 58.152 . 1 633 248 95 PHE CB C 38.976 . 1 634 248 95 PHE N N 120.011 . 1 635 249 96 LYS H H 9.452 . 1 636 249 96 LYS HA H 4.817 . 1 637 249 96 LYS HB2 H 1.806 . 2 638 249 96 LYS HB3 H 1.806 . 2 639 249 96 LYS C C 175.330 . 1 640 249 96 LYS CA C 53.366 . 1 641 249 96 LYS CB C 35.302 . 1 642 249 96 LYS N N 121.065 . 1 643 250 97 ASP H H 8.436 . 1 644 250 97 ASP HA H 4.507 . 1 645 250 97 ASP HB2 H 2.579 . 2 646 250 97 ASP HB3 H 2.579 . 2 647 250 97 ASP C C 177.084 . 1 648 250 97 ASP CA C 55.505 . 1 649 250 97 ASP CB C 40.539 . 1 650 250 97 ASP N N 120.484 . 1 651 251 98 GLY H H 9.376 . 1 652 251 98 GLY HA2 H 3.642 . 2 653 251 98 GLY HA3 H 4.335 . 2 654 251 98 GLY C C 173.987 . 1 655 251 98 GLY CA C 43.800 . 1 656 251 98 GLY N N 111.124 . 1 657 252 99 GLU H H 8.726 . 1 658 252 99 GLU HA H 4.319 . 1 659 252 99 GLU HB2 H 1.894 . 2 660 252 99 GLU HB3 H 1.894 . 2 661 252 99 GLU C C 175.992 . 1 662 252 99 GLU CA C 57.620 . 1 663 252 99 GLU CB C 29.982 . 1 664 252 99 GLU N N 124.021 . 1 665 253 100 ASN H H 9.063 . 1 666 253 100 ASN HA H 5.333 . 1 667 253 100 ASN HB2 H 1.614 . 2 668 253 100 ASN HB3 H 2.510 . 2 669 253 100 ASN C C 173.419 . 1 670 253 100 ASN CA C 51.779 . 1 671 253 100 ASN CB C 42.733 . 1 672 253 100 ASN N N 121.016 . 1 673 254 101 THR H H 8.154 . 1 674 254 101 THR HA H 4.723 . 1 675 254 101 THR HB H 3.755 . 1 676 254 101 THR C C 173.253 . 1 677 254 101 THR CA C 61.344 . 1 678 254 101 THR CB C 69.849 . 1 679 254 101 THR N N 116.012 . 1 680 255 102 ILE H H 9.587 . 1 681 255 102 ILE HA H 4.803 . 1 682 255 102 ILE HB H 1.793 . 1 683 255 102 ILE C C 174.118 . 1 684 255 102 ILE CA C 59.216 . 1 685 255 102 ILE CB C 40.092 . 1 686 255 102 ILE N N 132.000 . 1 687 256 103 VAL H H 9.095 . 1 688 256 103 VAL HA H 5.053 . 1 689 256 103 VAL HB H 1.876 . 1 690 256 103 VAL C C 176.216 . 1 691 256 103 VAL CA C 60.810 . 1 692 256 103 VAL CB C 32.123 . 1 693 256 103 VAL N N 127.048 . 1 694 257 104 ILE H H 9.395 . 1 695 257 104 ILE HA H 4.395 . 1 696 257 104 ILE HB H 1.482 . 1 697 257 104 ILE C C 175.282 . 1 698 257 104 ILE CA C 60.280 . 1 699 257 104 ILE CB C 40.077 . 1 700 257 104 ILE N N 129.477 . 1 701 258 105 SER H H 9.156 . 1 702 258 105 SER HA H 5.130 . 1 703 258 105 SER HB2 H 3.566 . 2 704 258 105 SER HB3 H 3.837 . 2 705 258 105 SER C C 172.933 . 1 706 258 105 SER CA C 56.559 . 1 707 258 105 SER CB C 64.003 . 1 708 258 105 SER N N 124.990 . 1 709 259 106 SER H H 9.330 . 1 710 259 106 SER HA H 4.973 . 1 711 259 106 SER HB2 H 3.394 . 2 712 259 106 SER HB3 H 3.394 . 2 713 259 106 SER C C 174.320 . 1 714 259 106 SER CA C 56.556 . 1 715 259 106 SER CB C 64.528 . 1 716 259 106 SER N N 121.036 . 1 717 260 107 LYS H H 7.947 . 1 718 260 107 LYS HA H 4.097 . 1 719 260 107 LYS HB2 H 1.872 . 2 720 260 107 LYS HB3 H 1.872 . 2 721 260 107 LYS C C 176.784 . 1 722 260 107 LYS CA C 58.154 . 1 723 260 107 LYS CB C 32.106 . 1 724 260 107 LYS N N 126.501 . 1 725 261 108 GLY H H 8.616 . 1 726 261 108 GLY HA2 H 3.554 . 2 727 261 108 GLY HA3 H 3.848 . 2 728 261 108 GLY C C 173.715 . 1 729 261 108 GLY CA C 44.333 . 1 730 261 108 GLY N N 111.001 . 1 731 262 109 PHE H H 8.051 . 1 732 262 109 PHE HA H 4.868 . 1 733 262 109 PHE HB2 H 2.722 . 2 734 262 109 PHE HB3 H 2.911 . 2 735 262 109 PHE C C 176.292 . 1 736 262 109 PHE CA C 56.550 . 1 737 262 109 PHE CB C 42.206 . 1 738 262 109 PHE N N 118.478 . 1 739 263 110 GLU H H 8.682 . 1 740 263 110 GLU HA H 4.365 . 1 741 263 110 GLU HB2 H 1.796 . 2 742 263 110 GLU HB3 H 2.301 . 2 743 263 110 GLU C C 177.441 . 1 744 263 110 GLU CA C 55.498 . 1 745 263 110 GLU CB C 29.447 . 1 746 263 110 GLU N N 121.520 . 1 747 264 111 ASP H H 8.929 . 1 748 264 111 ASP HA H 4.675 . 1 749 264 111 ASP HB2 H 2.234 . 2 750 264 111 ASP HB3 H 2.436 . 2 751 264 111 ASP C C 176.482 . 1 752 264 111 ASP CA C 54.993 . 1 753 264 111 ASP CB C 40.596 . 1 754 264 111 ASP N N 122.005 . 1 755 265 112 VAL H H 8.684 . 1 756 265 112 VAL HA H 4.425 . 1 757 265 112 VAL HB H 1.798 . 1 758 265 112 VAL C C 174.894 . 1 759 265 112 VAL CA C 60.811 . 1 760 265 112 VAL CB C 33.697 . 1 761 265 112 VAL N N 122.993 . 1 762 266 113 THR H H 9.059 . 1 763 266 113 THR HA H 5.079 . 1 764 266 113 THR HB H 3.782 . 1 765 266 113 THR C C 174.944 . 1 766 266 113 THR CA C 61.594 . 1 767 266 113 THR CB C 68.783 . 1 768 266 113 THR N N 123.487 . 1 769 267 114 ILE H H 10.299 . 1 770 267 114 ILE HA H 4.879 . 1 771 267 114 ILE HB H 1.576 . 1 772 267 114 ILE C C 174.399 . 1 773 267 114 ILE CA C 59.224 . 1 774 267 114 ILE CB C 40.608 . 1 775 267 114 ILE N N 132.513 . 1 776 268 115 THR H H 9.046 . 1 777 268 115 THR HA H 5.192 . 1 778 268 115 THR HB H 3.785 . 1 779 268 115 THR C C 174.289 . 1 780 268 115 THR CA C 61.341 . 1 781 268 115 THR CB C 69.314 . 1 782 268 115 THR N N 124.428 . 1 783 269 116 VAL H H 8.509 . 1 784 269 116 VAL HA H 5.130 . 1 785 269 116 VAL HB H 2.192 . 1 786 269 116 VAL C C 173.966 . 1 787 269 116 VAL CA C 57.620 . 1 788 269 116 VAL CB C 34.223 . 1 789 269 116 VAL N N 118.021 . 1 790 270 117 THR H H 9.197 . 1 791 270 117 THR HA H 5.301 . 1 792 270 117 THR HB H 3.833 . 1 793 270 117 THR C C 173.173 . 1 794 270 117 THR CA C 59.217 . 1 795 270 117 THR CB C 70.383 . 1 796 270 117 THR N N 117.014 . 1 797 271 118 LYS H H 8.951 . 1 798 271 118 LYS HA H 5.394 . 1 799 271 118 LYS HB2 H 1.273 . 2 800 271 118 LYS HB3 H 2.502 . 2 801 271 118 LYS C C 175.085 . 1 802 271 118 LYS CA C 53.918 . 1 803 271 118 LYS CB C 35.295 . 1 804 271 118 LYS N N 126.531 . 1 805 272 119 LYS H H 8.918 . 1 806 272 119 LYS HA H 4.507 . 1 807 272 119 LYS HB2 H 1.755 . 2 808 272 119 LYS HB3 H 1.755 . 2 809 272 119 LYS C C 175.688 . 1 810 272 119 LYS CA C 55.498 . 1 811 272 119 LYS CB C 34.766 . 1 812 272 119 LYS N N 128.002 . 1 813 273 120 ASP H H 9.851 . 1 814 273 120 ASP HA H 4.333 . 1 815 273 120 ASP HB2 H 2.729 . 2 816 273 120 ASP HB3 H 2.946 . 2 817 273 120 ASP C C 176.042 . 1 818 273 120 ASP CA C 55.496 . 1 819 273 120 ASP CB C 39.017 . 1 820 273 120 ASP N N 129.508 . 1 821 274 121 GLY H H 8.848 . 1 822 274 121 GLY HA2 H 3.610 . 2 823 274 121 GLY HA3 H 4.145 . 2 824 274 121 GLY C C 173.826 . 1 825 274 121 GLY CA C 45.356 . 1 826 274 121 GLY N N 104.507 . 1 827 275 122 GLN H H 7.990 . 1 828 275 122 GLN HA H 4.784 . 1 829 275 122 GLN HB2 H 1.904 . 2 830 275 122 GLN HB3 H 2.036 . 2 831 275 122 GLN C C 174.600 . 1 832 275 122 GLN CA C 53.901 . 1 833 275 122 GLN CB C 31.040 . 1 834 275 122 GLN N N 120.058 . 1 835 276 123 ILE H H 8.094 . 1 836 276 123 ILE HA H 5.019 . 1 837 276 123 ILE HB H 1.317 . 1 838 276 123 ILE C C 174.184 . 1 839 276 123 ILE CA C 59.218 . 1 840 276 123 ILE CB C 38.490 . 1 841 276 123 ILE N N 122.518 . 1 842 277 124 HIS H H 9.129 . 1 843 277 124 HIS HA H 5.018 . 1 844 277 124 HIS HB2 H 3.023 . 2 845 277 124 HIS HB3 H 3.161 . 2 846 277 124 HIS C C 174.683 . 1 847 277 124 HIS CA C 53.369 . 1 848 277 124 HIS CB C 31.646 . 1 849 277 124 HIS N N 123.051 . 1 850 278 125 PHE H H 9.516 . 1 851 278 125 PHE HA H 4.068 . 1 852 278 125 PHE HB2 H 2.989 . 2 853 278 125 PHE HB3 H 3.131 . 2 854 278 125 PHE C C 174.578 . 1 855 278 125 PHE CA C 59.751 . 1 856 278 125 PHE CB C 39.552 . 1 857 278 125 PHE N N 125.009 . 1 858 279 126 VAL H H 7.577 . 1 859 279 126 VAL HA H 4.040 . 1 860 279 126 VAL HB H 1.536 . 1 861 279 126 VAL C C 174.761 . 1 862 279 126 VAL CA C 64.004 . 1 863 279 126 VAL CB C 32.104 . 1 864 279 126 VAL N N 127.043 . 1 865 280 127 SER H H 7.275 . 1 866 280 127 SER HA H 4.427 . 1 867 280 127 SER HB2 H 3.706 . 2 868 280 127 SER HB3 H 3.706 . 2 869 280 127 SER C C 171.422 . 1 870 280 127 SER CA C 57.616 . 1 871 280 127 SER CB C 65.065 . 1 872 280 127 SER N N 109.003 . 1 873 281 128 ALA H H 8.782 . 1 874 281 128 ALA HA H 5.176 . 1 875 281 128 ALA HB H 1.413 . 1 876 281 128 ALA C C 175.114 . 1 877 281 128 ALA CA C 50.712 . 1 878 281 128 ALA CB C 22.000 . 1 879 281 128 ALA N N 122.014 . 1 880 282 129 LYS H H 8.823 . 1 881 282 129 LYS HA H 4.928 . 1 882 282 129 LYS HB2 H 1.572 . 2 883 282 129 LYS HB3 H 1.740 . 2 884 282 129 LYS C C 174.540 . 1 885 282 129 LYS CA C 54.432 . 1 886 282 129 LYS CB C 36.891 . 1 887 282 129 LYS N N 120.492 . 1 888 283 130 GLN H H 8.672 . 1 889 283 130 GLN HA H 4.739 . 1 890 283 130 GLN HB2 H 1.884 . 2 891 283 130 GLN HB3 H 2.001 . 2 892 283 130 GLN C C 175.007 . 1 893 283 130 GLN CA C 54.433 . 1 894 283 130 GLN CB C 32.104 . 1 895 283 130 GLN N N 120.521 . 1 896 284 131 LYS H H 8.817 . 1 897 284 131 LYS HA H 4.223 . 1 898 284 131 LYS HB2 H 1.709 . 2 899 284 131 LYS HB3 H 1.709 . 2 900 284 131 LYS C C 174.953 . 1 901 284 131 LYS CA C 57.613 . 1 902 284 131 LYS CB C 32.525 . 1 903 284 131 LYS N N 127.496 . 1 904 285 132 GLN H H 8.078 . 1 905 285 132 GLN HA H 4.093 . 1 906 285 132 GLN HB2 H 1.824 . 2 907 285 132 GLN HB3 H 2.128 . 2 908 285 132 GLN C C 180.314 . 1 909 285 132 GLN CA C 57.090 . 1 910 285 132 GLN CB C 31.574 . 1 911 285 132 GLN N N 127.526 . 1 stop_ save_