data_26961 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for SUSP4(201-300) ; _BMRB_accession_number 26961 _BMRB_flat_file_name bmr26961.str _Entry_type original _Submission_date 2016-11-29 _Accession_date 2016-11-29 _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 Kim Do-Hyoung . . 2 Lee Chewook . . 3 Lee Si-Hyung . . 4 Kim Kyung-Tae . . 5 Han 'Joan J' . . 6 Cha Eun-Ji . . 7 Lim Ji-Eun . . 8 Hong Seung-Hee . . 9 Cho Ye-Jin . . 10 Han Kyou-Hoon . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 535 "13C chemical shifts" 410 "15N chemical shifts" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-15 original BMRB . stop_ _Original_release_date 2016-11-30 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Mechanism of p53 Rescue by SUSP4 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28000315 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kim Do-Hyoung H. . 2 Lee Chewook . . 3 Lee Si-Hyung H. . 4 Kim Kyung-Tae T. . 5 Han Joan J. . 6 Cha Eun-Ji J. . 7 Lim Ji-Eun E. . 8 Cho Ye-Jin J. . 9 Hong Seung-Hee H. . 10 Han Kyou-Hoon H. . stop_ _Journal_abbreviation 'Angew. Chem. Int. Ed. Engl.' _Journal_volume 56 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1278 _Page_last 1282 _Year 2017 _Details . loop_ _Keyword NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SUMO-specific protease 4 (SUSP4 201-300)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SUMO-specific protease 4 (SUSP4 201-300)' $SUMO-specific_protease_4_(SUSP4_201-300) stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'SUMO-specific protease 4 (SUSP4)' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SUMO-specific_protease_4_(SUSP4_201-300) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SUMO-specific_protease_4_(SUSP4_201-300) _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'SUMO-specific protease 4 (SUSP4)' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; EEREKWCSEEKCVTEKKGCV KGEGRRGNSLEPGTRAQIIL DRGRGNSLLPNKMAVLAAEK KPLTDQEKGREMYQILVITE DIEKEIENALGPGPQEEILS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 201 GLU 2 202 GLU 3 203 ARG 4 204 GLU 5 205 LYS 6 206 TRP 7 207 CYS 8 208 SER 9 209 GLU 10 210 GLU 11 211 LYS 12 212 CYS 13 213 VAL 14 214 THR 15 215 GLU 16 216 LYS 17 217 LYS 18 218 GLY 19 219 CYS 20 220 VAL 21 221 LYS 22 222 GLY 23 223 GLU 24 224 GLY 25 225 ARG 26 226 ARG 27 227 GLY 28 228 ASN 29 229 SER 30 230 LEU 31 231 GLU 32 232 PRO 33 233 GLY 34 234 THR 35 235 ARG 36 236 ALA 37 237 GLN 38 238 ILE 39 239 ILE 40 240 LEU 41 241 ASP 42 242 ARG 43 243 GLY 44 244 ARG 45 245 GLY 46 246 ASN 47 247 SER 48 248 LEU 49 249 LEU 50 250 PRO 51 251 ASN 52 252 LYS 53 253 MET 54 254 ALA 55 255 VAL 56 256 LEU 57 257 ALA 58 258 ALA 59 259 GLU 60 260 LYS 61 261 LYS 62 262 PRO 63 263 LEU 64 264 THR 65 265 ASP 66 266 GLN 67 267 GLU 68 268 LYS 69 269 GLY 70 270 ARG 71 271 GLU 72 272 MET 73 273 TYR 74 274 GLN 75 275 ILE 76 276 LEU 77 277 VAL 78 278 ILE 79 279 THR 80 280 GLU 81 281 ASP 82 282 ILE 83 283 GLU 84 284 LYS 85 285 GLU 86 286 ILE 87 287 GLU 88 288 ASN 89 289 ALA 90 290 LEU 91 291 GLY 92 292 PRO 93 293 GLY 94 294 PRO 95 295 GLN 96 296 GLU 97 297 GLU 98 298 ILE 99 299 LEU 100 300 SER 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 $SUMO-specific_protease_4_(SUSP4_201-300) Human 9606 Eukaryota Metazoa Homo sapiens 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 $SUMO-specific_protease_4_(SUSP4_201-300) 'recombinant technology' . Escherichia coli . pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_P4-201 _Saveframe_category sample _Sample_type solution _Details '20mM sodium acetate, pH6.5, 0.1mM PMSF, 0.01mM EDTA, 1mM DTT, 50mM NaCl' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SUMO-specific_protease_4_(SUSP4_201-300) 0.4 mM '[U-98% 13C; U-98% 15N]' $SUMO-specific_protease_4_(SUSP4_201-300) 0.5 mM '[U-98% 15N]' 'sodium acetate' 20 mM 'natural abundance' PMSF 0.1 mM 'natural abundance' EDTA 0.01 mM 'natural abundance' DTT 1 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . Goddard . . stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $P4-201 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $P4-201 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $P4-201 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $P4-201 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $P4-201 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $P4-201 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $P4-201 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $P4-201 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $P4-201 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $P4-201 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' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 278 . 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 water C 13 protons ppm 4.96 na indirect . . . 0.744 water H 1 protons ppm 4.96 internal direct . . . 1 water N 15 protons ppm 4.96 na indirect . . . 0.141 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HN(CO)CA' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $P4-201 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'SUMO-specific protease 4 (SUSP4 201-300)' _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 1 201 1 GLU H H 8.42 . 1 2 201 1 GLU HA H 4.37 . 1 3 201 1 GLU HB2 H 1.97 . 2 4 201 1 GLU HB3 H 1.97 . 2 5 201 1 GLU HG2 H 2.46 . 2 6 201 1 GLU HG3 H 2.46 . 2 7 201 1 GLU C C 176.33 . 1 8 201 1 GLU CA C 55.86 . 1 9 201 1 GLU CB C 32.61 . 1 10 201 1 GLU CG C 36.25 . 1 11 201 1 GLU N N 121.71 . 1 12 202 2 GLU H H 8.67 . 1 13 202 2 GLU HA H 4.19 . 1 14 202 2 GLU HB2 H 1.97 . 2 15 202 2 GLU HB3 H 1.97 . 2 16 202 2 GLU HG2 H 2.26 . 2 17 202 2 GLU HG3 H 2.26 . 2 18 202 2 GLU C C 176.86 . 1 19 202 2 GLU CA C 56.92 . 1 20 202 2 GLU CB C 29.92 . 1 21 202 2 GLU CG C 36.19 . 1 22 202 2 GLU N N 123.16 . 1 23 203 3 ARG H H 8.33 . 1 24 203 3 ARG HA H 4.11 . 1 25 203 3 ARG HB2 H 1.80 . 2 26 203 3 ARG HB3 H 1.80 . 2 27 203 3 ARG HG2 H 1.54 . 2 28 203 3 ARG HG3 H 1.54 . 2 29 203 3 ARG HD2 H 3.13 . 2 30 203 3 ARG HD3 H 3.13 . 2 31 203 3 ARG C C 176.80 . 1 32 203 3 ARG CA C 56.74 . 1 33 203 3 ARG CB C 30.72 . 1 34 203 3 ARG CG C 27.08 . 1 35 203 3 ARG CD C 43.29 . 1 36 203 3 ARG N N 121.33 . 1 37 204 4 GLU H H 8.43 . 1 38 204 4 GLU HA H 4.14 . 1 39 204 4 GLU HB2 H 1.92 . 2 40 204 4 GLU HB3 H 1.92 . 2 41 204 4 GLU HG2 H 2.24 . 2 42 204 4 GLU HG3 H 2.24 . 2 43 204 4 GLU C C 176.83 . 1 44 204 4 GLU CA C 57.13 . 1 45 204 4 GLU CB C 29.85 . 1 46 204 4 GLU CG C 36.25 . 1 47 204 4 GLU N N 120.96 . 1 48 205 5 LYS H H 8.23 . 1 49 205 5 LYS HA H 4.18 . 1 50 205 5 LYS HB2 H 1.65 . 2 51 205 5 LYS HB3 H 1.65 . 2 52 205 5 LYS HG2 H 1.31 . 2 53 205 5 LYS HG3 H 1.31 . 2 54 205 5 LYS HE2 H 2.90 . 2 55 205 5 LYS HE3 H 2.90 . 2 56 205 5 LYS C C 176.61 . 1 57 205 5 LYS CA C 56.92 . 1 58 205 5 LYS CB C 32.85 . 1 59 205 5 LYS CG C 24.77 . 1 60 205 5 LYS CD C 29.14 . 1 61 205 5 LYS CE C 42.13 . 1 62 205 5 LYS N N 121.38 . 1 63 206 6 TRP H H 8.12 . 1 64 206 6 TRP HA H 4.63 . 1 65 206 6 TRP HB2 H 3.29 . 2 66 206 6 TRP HB3 H 3.29 . 2 67 206 6 TRP C C 176.21 . 1 68 206 6 TRP CA C 57.41 . 1 69 206 6 TRP CB C 29.45 . 1 70 206 6 TRP N N 121.36 . 1 71 207 7 CYS H H 8.08 . 1 72 207 7 CYS HA H 4.38 . 1 73 207 7 CYS HB2 H 2.77 . 2 74 207 7 CYS HB3 H 2.77 . 2 75 207 7 CYS C C 174.25 . 1 76 207 7 CYS CA C 58.42 . 1 77 207 7 CYS CB C 28.23 . 1 78 207 7 CYS N N 121.23 . 1 79 208 8 SER H H 8.31 . 1 80 208 8 SER HA H 4.28 . 1 81 208 8 SER HB2 H 3.84 . 2 82 208 8 SER HB3 H 3.84 . 2 83 208 8 SER C C 174.67 . 1 84 208 8 SER CA C 58.65 . 1 85 208 8 SER CB C 63.59 . 1 86 208 8 SER N N 118.32 . 1 87 209 9 GLU H H 8.48 . 1 88 209 9 GLU HA H 4.26 . 1 89 209 9 GLU HB2 H 1.94 . 2 90 209 9 GLU HB3 H 1.94 . 2 91 209 9 GLU HG2 H 2.27 . 2 92 209 9 GLU HG3 H 2.27 . 2 93 209 9 GLU C C 176.56 . 1 94 209 9 GLU CA C 56.81 . 1 95 209 9 GLU CB C 30.29 . 1 96 209 9 GLU CG C 36.24 . 1 97 209 9 GLU N N 122.87 . 1 98 210 10 GLU H H 8.44 . 1 99 210 10 GLU HA H 4.20 . 1 100 210 10 GLU HB2 H 1.91 . 2 101 210 10 GLU HB3 H 1.91 . 2 102 210 10 GLU HG2 H 2.24 . 2 103 210 10 GLU HG3 H 2.24 . 2 104 210 10 GLU C C 176.63 . 1 105 210 10 GLU CA C 56.71 . 1 106 210 10 GLU CB C 30.11 . 1 107 210 10 GLU CG C 36.17 . 1 108 210 10 GLU N N 122.14 . 1 109 211 11 LYS H H 8.41 . 1 110 211 11 LYS HA H 4.24 . 1 111 211 11 LYS HB2 H 1.68 . 2 112 211 11 LYS HB3 H 1.68 . 2 113 211 11 LYS HG2 H 1.41 . 2 114 211 11 LYS HG3 H 1.41 . 2 115 211 11 LYS C C 176.46 . 1 116 211 11 LYS CA C 56.47 . 1 117 211 11 LYS CB C 32.95 . 1 118 211 11 LYS CG C 24.87 . 1 119 211 11 LYS CD C 29.08 . 1 120 211 11 LYS CE C 45.21 . 1 121 211 11 LYS N N 122.58 . 1 122 212 12 CYS H H 8.42 . 1 123 212 12 CYS HA H 4.45 . 1 124 212 12 CYS HB2 H 2.89 . 2 125 212 12 CYS HB3 H 2.89 . 2 126 212 12 CYS C C 174.92 . 1 127 212 12 CYS CA C 58.75 . 1 128 212 12 CYS CB C 27.90 . 1 129 212 12 CYS N N 120.71 . 1 130 213 13 VAL H H 8.40 . 1 131 213 13 VAL HA H 4.15 . 1 132 213 13 VAL HB H 2.13 . 1 133 213 13 VAL HG1 H 0.94 . 2 134 213 13 VAL HG2 H 0.94 . 2 135 213 13 VAL C C 176.55 . 1 136 213 13 VAL CA C 62.78 . 1 137 213 13 VAL CB C 32.60 . 1 138 213 13 VAL CG1 C 20.93 . 2 139 213 13 VAL CG2 C 20.93 . 2 140 213 13 VAL N N 123.17 . 1 141 214 14 THR H H 8.28 . 1 142 214 14 THR HA H 4.26 . 1 143 214 14 THR HB H 4.18 . 1 144 214 14 THR HG2 H 1.20 . 1 145 214 14 THR C C 174.55 . 1 146 214 14 THR CA C 62.27 . 1 147 214 14 THR CB C 69.67 . 1 148 214 14 THR CG2 C 21.90 . 1 149 214 14 THR N N 118.15 . 1 150 215 15 GLU H H 8.46 . 1 151 215 15 GLU HA H 4.26 . 1 152 215 15 GLU HB2 H 1.96 . 2 153 215 15 GLU HB3 H 1.96 . 2 154 215 15 GLU HG2 H 2.23 . 2 155 215 15 GLU HG3 H 2.23 . 2 156 215 15 GLU C C 176.29 . 1 157 215 15 GLU CA C 56.66 . 1 158 215 15 GLU CB C 30.38 . 1 159 215 15 GLU CG C 36.18 . 1 160 215 15 GLU N N 123.85 . 1 161 216 16 LYS H H 8.46 . 1 162 216 16 LYS HA H 4.29 . 1 163 216 16 LYS HB2 H 1.69 . 2 164 216 16 LYS HB3 H 1.69 . 2 165 216 16 LYS HG2 H 1.41 . 2 166 216 16 LYS HG3 H 1.41 . 2 167 216 16 LYS C C 176.58 . 1 168 216 16 LYS CA C 56.34 . 1 169 216 16 LYS CB C 32.74 . 1 170 216 16 LYS CG C 24.77 . 1 171 216 16 LYS CD C 29.11 . 1 172 216 16 LYS N N 123.40 . 1 173 217 17 LYS H H 8.49 . 1 174 217 17 LYS HA H 4.28 . 1 175 217 17 LYS HB2 H 1.68 . 2 176 217 17 LYS HB3 H 1.68 . 2 177 217 17 LYS HG2 H 1.42 . 2 178 217 17 LYS HG3 H 1.42 . 2 179 217 17 LYS C C 177.20 . 1 180 217 17 LYS CA C 56.55 . 1 181 217 17 LYS CB C 33.07 . 1 182 217 17 LYS CG C 24.84 . 1 183 217 17 LYS CD C 29.11 . 1 184 217 17 LYS CE C 41.98 . 1 185 217 17 LYS N N 123.27 . 1 186 218 18 GLY H H 8.60 . 1 187 218 18 GLY HA2 H 3.95 . 2 188 218 18 GLY HA3 H 3.95 . 2 189 218 18 GLY C C 173.86 . 1 190 218 18 GLY CA C 45.17 . 1 191 218 18 GLY N N 110.49 . 1 192 219 19 CYS H H 8.28 . 1 193 219 19 CYS HA H 4.51 . 1 194 219 19 CYS HB2 H 2.89 . 2 195 219 19 CYS HB3 H 2.89 . 2 196 219 19 CYS C C 174.79 . 1 197 219 19 CYS CA C 58.48 . 1 198 219 19 CYS CB C 28.39 . 1 199 219 19 CYS N N 119.38 . 1 200 220 20 VAL H H 8.45 . 1 201 220 20 VAL HA H 4.11 . 1 202 220 20 VAL HB H 2.05 . 1 203 220 20 VAL HG1 H 0.91 . 2 204 220 20 VAL HG2 H 0.91 . 2 205 220 20 VAL C C 176.20 . 1 206 220 20 VAL CA C 62.69 . 1 207 220 20 VAL CB C 32.68 . 1 208 220 20 VAL CG1 C 20.85 . 2 209 220 20 VAL CG2 C 20.85 . 2 210 220 20 VAL N N 123.66 . 1 211 221 21 LYS H H 8.65 . 1 212 221 21 LYS HA H 4.28 . 1 213 221 21 LYS HB2 H 1.68 . 2 214 221 21 LYS HB3 H 1.68 . 2 215 221 21 LYS HG2 H 1.42 . 2 216 221 21 LYS HG3 H 1.42 . 2 217 221 21 LYS HE2 H 2.25 . 2 218 221 21 LYS HE3 H 2.25 . 2 219 221 21 LYS C C 177.08 . 1 220 221 21 LYS CA C 56.72 . 1 221 221 21 LYS CB C 32.93 . 1 222 221 21 LYS CG C 24.78 . 1 223 221 21 LYS CD C 29.11 . 1 224 221 21 LYS CE C 41.96 . 1 225 221 21 LYS N N 126.26 . 1 226 222 22 GLY H H 8.59 . 1 227 222 22 GLY HA2 H 3.95 . 2 228 222 22 GLY HA3 H 3.95 . 2 229 222 22 GLY C C 174.12 . 1 230 222 22 GLY CA C 45.20 . 1 231 222 22 GLY N N 110.97 . 1 232 223 23 GLU H H 8.42 . 1 233 223 23 GLU HA H 4.28 . 1 234 223 23 GLU HB2 H 2.09 . 2 235 223 23 GLU HB3 H 1.95 . 2 236 223 23 GLU HG2 H 2.25 . 2 237 223 23 GLU HG3 H 2.25 . 2 238 223 23 GLU C C 177.12 . 1 239 223 23 GLU CA C 56.55 . 1 240 223 23 GLU CB C 30.36 . 1 241 223 23 GLU CG C 36.16 . 1 242 223 23 GLU N N 120.71 . 1 243 224 24 GLY H H 8.62 . 1 244 224 24 GLY HA2 H 3.93 . 2 245 224 24 GLY HA3 H 3.93 . 2 246 224 24 GLY C C 174.12 . 1 247 224 24 GLY CA C 45.37 . 1 248 224 24 GLY N N 110.15 . 1 249 225 25 ARG H H 8.29 . 1 250 225 25 ARG HA H 4.32 . 1 251 225 25 ARG HB2 H 1.77 . 2 252 225 25 ARG HB3 H 1.77 . 2 253 225 25 ARG HG2 H 1.60 . 2 254 225 25 ARG HG3 H 1.60 . 2 255 225 25 ARG HD2 H 3.17 . 2 256 225 25 ARG HD3 H 3.17 . 2 257 225 25 ARG C C 176.51 . 1 258 225 25 ARG CA C 56.12 . 1 259 225 25 ARG CB C 30.82 . 1 260 225 25 ARG CG C 27.12 . 1 261 225 25 ARG CD C 43.31 . 1 262 225 25 ARG N N 120.82 . 1 263 226 26 ARG H H 8.59 . 1 264 226 26 ARG HA H 4.33 . 1 265 226 26 ARG HB2 H 1.87 . 2 266 226 26 ARG HB3 H 1.87 . 2 267 226 26 ARG HG2 H 1.63 . 2 268 226 26 ARG HG3 H 1.63 . 2 269 226 26 ARG HD2 H 3.18 . 2 270 226 26 ARG HD3 H 3.18 . 2 271 226 26 ARG C C 176.90 . 1 272 226 26 ARG CA C 56.14 . 1 273 226 26 ARG CB C 30.78 . 1 274 226 26 ARG CG C 27.18 . 1 275 226 26 ARG CD C 43.28 . 1 276 226 26 ARG N N 122.79 . 1 277 227 27 GLY H H 8.55 . 1 278 227 27 GLY HA2 H 3.94 . 2 279 227 27 GLY HA3 H 3.94 . 2 280 227 27 GLY C C 173.78 . 1 281 227 27 GLY CA C 45.26 . 1 282 227 27 GLY N N 110.26 . 1 283 228 28 ASN H H 8.45 . 1 284 228 28 ASN HA H 4.74 . 1 285 228 28 ASN HB2 H 2.80 . 2 286 228 28 ASN HB3 H 2.80 . 2 287 228 28 ASN C C 175.43 . 1 288 228 28 ASN CA C 53.15 . 1 289 228 28 ASN CB C 39.00 . 1 290 228 28 ASN N N 118.87 . 1 291 229 29 SER H H 8.43 . 1 292 229 29 SER HA H 4.39 . 1 293 229 29 SER HB2 H 3.86 . 2 294 229 29 SER HB3 H 3.86 . 2 295 229 29 SER C C 174.32 . 1 296 229 29 SER CA C 58.62 . 1 297 229 29 SER CB C 63.67 . 1 298 229 29 SER N N 116.43 . 1 299 230 30 LEU H H 8.40 . 1 300 230 30 LEU HA H 4.34 . 1 301 230 30 LEU HB2 H 1.58 . 2 302 230 30 LEU HB3 H 1.58 . 2 303 230 30 LEU HD1 H 0.87 . 2 304 230 30 LEU HD2 H 0.87 . 2 305 230 30 LEU C C 177.21 . 1 306 230 30 LEU CA C 54.96 . 1 307 230 30 LEU CB C 42.33 . 1 308 230 30 LEU CG C 26.91 . 1 309 230 30 LEU CD1 C 23.44 . 2 310 230 30 LEU CD2 C 23.44 . 2 311 230 30 LEU N N 123.68 . 1 312 231 31 GLU H H 8.39 . 1 313 231 31 GLU HA H 4.54 . 1 314 231 31 GLU HB2 H 2.04 . 2 315 231 31 GLU HB3 H 1.90 . 2 316 231 31 GLU HG2 H 2.29 . 2 317 231 31 GLU HG3 H 2.29 . 2 318 231 31 GLU C C 174.71 . 1 319 231 31 GLU CA C 54.47 . 1 320 231 31 GLU CB C 29.60 . 1 321 231 31 GLU N N 123.30 . 1 322 232 32 PRO HA H 4.38 . 1 323 232 32 PRO HB2 H 2.30 . 2 324 232 32 PRO HB3 H 2.30 . 2 325 232 32 PRO HG2 H 2.01 . 2 326 232 32 PRO HG3 H 2.01 . 2 327 232 32 PRO HD2 H 3.74 . 2 328 232 32 PRO HD3 H 3.74 . 2 329 232 32 PRO C C 177.75 . 1 330 232 32 PRO CA C 63.76 . 1 331 232 32 PRO CB C 32.10 . 1 332 232 32 PRO CG C 27.44 . 1 333 232 32 PRO CD C 50.65 . 1 334 233 33 GLY H H 8.67 . 1 335 233 33 GLY HA2 H 3.97 . 2 336 233 33 GLY HA3 H 3.97 . 2 337 233 33 GLY C C 174.55 . 1 338 233 33 GLY CA C 45.39 . 1 339 233 33 GLY N N 109.09 . 1 340 234 34 THR H H 8.04 . 1 341 234 34 THR HA H 4.30 . 1 342 234 34 THR HB H 4.26 . 1 343 234 34 THR HG2 H 1.21 . 1 344 234 34 THR C C 174.79 . 1 345 234 34 THR CA C 62.25 . 1 346 234 34 THR CB C 69.88 . 1 347 234 34 THR CG2 C 21.83 . 1 348 234 34 THR N N 114.02 . 1 349 235 35 ARG H H 8.48 . 1 350 235 35 ARG HA H 4.27 . 1 351 235 35 ARG HB2 H 1.84 . 2 352 235 35 ARG HB3 H 1.84 . 2 353 235 35 ARG HG2 H 1.64 . 2 354 235 35 ARG HG3 H 1.64 . 2 355 235 35 ARG HD2 H 3.18 . 2 356 235 35 ARG HD3 H 3.18 . 2 357 235 35 ARG C C 176.27 . 1 358 235 35 ARG CA C 56.59 . 1 359 235 35 ARG CB C 30.63 . 1 360 235 35 ARG CG C 27.10 . 1 361 235 35 ARG CD C 43.24 . 1 362 235 35 ARG N N 123.46 . 1 363 236 36 ALA H H 8.39 . 1 364 236 36 ALA HA H 4.23 . 1 365 236 36 ALA HB H 1.38 . 1 366 236 36 ALA C C 177.96 . 1 367 236 36 ALA CA C 52.97 . 1 368 236 36 ALA CB C 19.06 . 1 369 236 36 ALA N N 124.39 . 1 370 237 37 GLN H H 8.36 . 1 371 237 37 GLN HA H 4.21 . 1 372 237 37 GLN HB2 H 2.02 . 2 373 237 37 GLN HB3 H 1.87 . 2 374 237 37 GLN HG2 H 2.36 . 2 375 237 37 GLN HG3 H 2.36 . 2 376 237 37 GLN C C 176.05 . 1 377 237 37 GLN CA C 56.18 . 1 378 237 37 GLN CB C 29.33 . 1 379 237 37 GLN CG C 33.69 . 1 380 237 37 GLN N N 120.63 . 1 381 238 38 ILE H H 8.26 . 1 382 238 38 ILE HA H 4.07 . 1 383 238 38 ILE HB H 1.83 . 1 384 238 38 ILE HG12 H 1.51 . 2 385 238 38 ILE HG13 H 1.15 . 2 386 238 38 ILE HG2 H 0.85 . 1 387 238 38 ILE C C 176.42 . 1 388 238 38 ILE CA C 61.79 . 1 389 238 38 ILE CB C 38.54 . 1 390 238 38 ILE CG1 C 27.71 . 1 391 238 38 ILE CG2 C 17.22 . 1 392 238 38 ILE N N 122.86 . 1 393 239 39 ILE H H 8.30 . 1 394 239 39 ILE HA H 4.05 . 1 395 239 39 ILE HB H 1.82 . 1 396 239 39 ILE HG12 H 1.48 . 2 397 239 39 ILE HG13 H 1.12 . 2 398 239 39 ILE HG2 H 0.84 . 1 399 239 39 ILE C C 176.58 . 1 400 239 39 ILE CA C 61.52 . 1 401 239 39 ILE CB C 38.39 . 1 402 239 39 ILE CG1 C 27.51 . 1 403 239 39 ILE CG2 C 17.34 . 1 404 239 39 ILE N N 125.56 . 1 405 240 40 LEU H H 8.35 . 1 406 240 40 LEU HA H 4.30 . 1 407 240 40 LEU HB2 H 1.56 . 2 408 240 40 LEU HB3 H 1.56 . 2 409 240 40 LEU HG H 0.86 . 1 410 240 40 LEU C C 177.23 . 1 411 240 40 LEU CA C 55.56 . 1 412 240 40 LEU CB C 42.45 . 1 413 240 40 LEU CG C 29.88 . 1 414 240 40 LEU CD1 C 23.56 . 2 415 240 40 LEU CD2 C 24.99 . 2 416 240 40 LEU N N 126.69 . 1 417 241 41 ASP H H 8.52 . 1 418 241 41 ASP HA H 4.55 . 1 419 241 41 ASP HB2 H 2.67 . 2 420 241 41 ASP HB3 H 2.67 . 2 421 241 41 ASP C C 176.72 . 1 422 241 41 ASP CA C 54.53 . 1 423 241 41 ASP CB C 41.11 . 1 424 241 41 ASP N N 122.01 . 1 425 242 42 ARG H H 8.46 . 1 426 242 42 ARG HA H 4.25 . 1 427 242 42 ARG HB2 H 1.93 . 2 428 242 42 ARG HB3 H 1.93 . 2 429 242 42 ARG HG2 H 1.67 . 2 430 242 42 ARG HG3 H 1.67 . 2 431 242 42 ARG HD2 H 3.17 . 2 432 242 42 ARG HD3 H 3.17 . 2 433 242 42 ARG C C 177.23 . 1 434 242 42 ARG CA C 56.77 . 1 435 242 42 ARG CB C 30.33 . 1 436 242 42 ARG CG C 27.31 . 1 437 242 42 ARG CD C 43.41 . 1 438 242 42 ARG N N 122.09 . 1 439 243 43 GLY H H 8.50 . 1 440 243 43 GLY HA2 H 3.96 . 2 441 243 43 GLY HA3 H 3.96 . 2 442 243 43 GLY C C 174.48 . 1 443 243 43 GLY CA C 45.50 . 1 444 243 43 GLY N N 108.97 . 1 445 244 44 ARG H H 8.12 . 1 446 244 44 ARG HA H 4.31 . 1 447 244 44 ARG HB2 H 1.89 . 2 448 244 44 ARG HB3 H 1.89 . 2 449 244 44 ARG HG2 H 1.64 . 2 450 244 44 ARG HG3 H 1.64 . 2 451 244 44 ARG HD2 H 3.19 . 2 452 244 44 ARG HD3 H 3.19 . 2 453 244 44 ARG C C 177.13 . 1 454 244 44 ARG CA C 56.40 . 1 455 244 44 ARG CB C 30.68 . 1 456 244 44 ARG CG C 27.13 . 1 457 244 44 ARG CD C 43.29 . 1 458 244 44 ARG N N 120.48 . 1 459 245 45 GLY H H 8.57 . 1 460 245 45 GLY HA2 H 3.93 . 2 461 245 45 GLY HA3 H 3.93 . 2 462 245 45 GLY C C 174.05 . 1 463 245 45 GLY CA C 45.46 . 1 464 245 45 GLY N N 109.69 . 1 465 246 46 ASN H H 8.40 . 1 466 246 46 ASN HA H 4.73 . 1 467 246 46 ASN HB2 H 2.80 . 2 468 246 46 ASN HB3 H 2.80 . 2 469 246 46 ASN C C 175.50 . 1 470 246 46 ASN CA C 53.22 . 1 471 246 46 ASN CB C 38.96 . 1 472 246 46 ASN N N 118.89 . 1 473 247 47 SER H H 8.38 . 1 474 247 47 SER HA H 4.39 . 1 475 247 47 SER HB2 H 3.87 . 2 476 247 47 SER HB3 H 3.87 . 2 477 247 47 SER C C 174.36 . 1 478 247 47 SER CA C 58.69 . 1 479 247 47 SER CB C 63.70 . 1 480 247 47 SER N N 116.38 . 1 481 248 48 LEU H H 8.34 . 1 482 248 48 LEU HA H 4.35 . 1 483 248 48 LEU HB2 H 1.59 . 2 484 248 48 LEU HB3 H 1.59 . 2 485 248 48 LEU HD1 H 0.88 . 2 486 248 48 LEU HD2 H 0.88 . 2 487 248 48 LEU C C 177.15 . 1 488 248 48 LEU CA C 55.03 . 1 489 248 48 LEU CB C 42.15 . 1 490 248 48 LEU CG C 26.93 . 1 491 248 48 LEU CD1 C 23.42 . 2 492 248 48 LEU CD2 C 25.01 . 2 493 248 48 LEU N N 123.67 . 1 494 249 49 LEU H H 8.19 . 1 495 249 49 LEU HA H 4.58 . 1 496 249 49 LEU HB2 H 1.62 . 2 497 249 49 LEU HB3 H 1.62 . 2 498 249 49 LEU C C 175.18 . 1 499 249 49 LEU CA C 53.04 . 1 500 249 49 LEU CB C 41.67 . 1 501 249 49 LEU N N 123.89 . 1 502 250 50 PRO HA H 4.35 . 1 503 250 50 PRO HB2 H 2.27 . 2 504 250 50 PRO HB3 H 2.27 . 2 505 250 50 PRO HG2 H 2.00 . 2 506 250 50 PRO HG3 H 2.00 . 2 507 250 50 PRO HD2 H 3.73 . 2 508 250 50 PRO HD3 H 3.73 . 2 509 250 50 PRO C C 176.72 . 1 510 250 50 PRO CA C 63.22 . 1 511 250 50 PRO CB C 31.95 . 1 512 250 50 PRO CG C 27.45 . 1 513 250 50 PRO CD C 50.46 . 1 514 251 51 ASN H H 8.55 . 1 515 251 51 ASN HA H 4.59 . 1 516 251 51 ASN HB2 H 2.79 . 2 517 251 51 ASN HB3 H 2.79 . 2 518 251 51 ASN C C 175.47 . 1 519 251 51 ASN CA C 53.33 . 1 520 251 51 ASN CB C 38.74 . 1 521 251 51 ASN N N 118.95 . 1 522 252 52 LYS H H 8.44 . 1 523 252 52 LYS HA H 4.23 . 1 524 252 52 LYS HB2 H 1.70 . 2 525 252 52 LYS HB3 H 1.70 . 2 526 252 52 LYS HG2 H 1.42 . 2 527 252 52 LYS HG3 H 1.42 . 2 528 252 52 LYS HE2 H 2.95 . 2 529 252 52 LYS HE3 H 2.95 . 2 530 252 52 LYS C C 176.77 . 1 531 252 52 LYS CA C 56.81 . 1 532 252 52 LYS CB C 32.74 . 1 533 252 52 LYS CG C 24.68 . 1 534 252 52 LYS CD C 29.08 . 1 535 252 52 LYS CE C 42.10 . 1 536 252 52 LYS N N 121.54 . 1 537 253 53 MET H H 8.33 . 1 538 253 53 MET HA H 4.40 . 1 539 253 53 MET HB2 H 2.04 . 2 540 253 53 MET HB3 H 2.04 . 2 541 253 53 MET HG2 H 2.56 . 2 542 253 53 MET HG3 H 2.56 . 2 543 253 53 MET C C 176.26 . 1 544 253 53 MET CA C 55.59 . 1 545 253 53 MET CB C 32.60 . 1 546 253 53 MET CG C 32.05 . 1 547 253 53 MET N N 120.87 . 1 548 254 54 ALA H H 8.27 . 1 549 254 54 ALA HA H 4.26 . 1 550 254 54 ALA HB H 1.37 . 1 551 254 54 ALA C C 177.84 . 1 552 254 54 ALA CA C 52.76 . 1 553 254 54 ALA CB C 19.12 . 1 554 254 54 ALA N N 125.36 . 1 555 255 55 VAL H H 8.17 . 1 556 255 55 VAL HA H 3.99 . 1 557 255 55 VAL HB H 2.02 . 1 558 255 55 VAL HG1 H 0.91 . 2 559 255 55 VAL HG2 H 0.91 . 2 560 255 55 VAL C C 176.46 . 1 561 255 55 VAL CA C 62.68 . 1 562 255 55 VAL CB C 32.71 . 1 563 255 55 VAL CG1 C 20.92 . 2 564 255 55 VAL CG2 C 20.92 . 2 565 255 55 VAL N N 120.23 . 1 566 256 56 LEU H H 8.35 . 1 567 256 56 LEU HA H 4.30 . 1 568 256 56 LEU HB2 H 1.60 . 2 569 256 56 LEU HB3 H 1.60 . 2 570 256 56 LEU HD1 H 0.89 . 2 571 256 56 LEU HD2 H 0.89 . 2 572 256 56 LEU C C 177.30 . 1 573 256 56 LEU CA C 55.19 . 1 574 256 56 LEU CB C 42.34 . 1 575 256 56 LEU CG C 27.03 . 1 576 256 56 LEU CD1 C 23.62 . 2 577 256 56 LEU CD2 C 24.97 . 2 578 256 56 LEU N N 126.10 . 1 579 257 57 ALA H H 8.34 . 1 580 257 57 ALA HA H 4.21 . 1 581 257 57 ALA HB H 1.37 . 1 582 257 57 ALA C C 177.61 . 1 583 257 57 ALA CA C 52.63 . 1 584 257 57 ALA CB C 19.12 . 1 585 257 57 ALA N N 125.12 . 1 586 258 58 ALA H H 8.25 . 1 587 258 58 ALA HA H 4.21 . 1 588 258 58 ALA HB H 1.37 . 1 589 258 58 ALA C C 177.87 . 1 590 258 58 ALA CA C 52.56 . 1 591 258 58 ALA CB C 19.18 . 1 592 258 58 ALA N N 123.05 . 1 593 259 59 GLU H H 8.79 . 1 594 259 59 GLU HA H 4.22 . 1 595 259 59 GLU HB2 H 1.94 . 2 596 259 59 GLU HB3 H 1.94 . 2 597 259 59 GLU HG2 H 2.26 . 2 598 259 59 GLU HG3 H 2.26 . 2 599 259 59 GLU C C 176.44 . 1 600 259 59 GLU CA C 56.52 . 1 601 259 59 GLU CB C 30.37 . 1 602 259 59 GLU CG C 36.20 . 1 603 259 59 GLU N N 121.45 . 1 604 260 60 LYS H H 8.39 . 1 605 260 60 LYS HA H 4.28 . 1 606 260 60 LYS HB2 H 1.70 . 2 607 260 60 LYS HB3 H 1.70 . 2 608 260 60 LYS HG2 H 1.41 . 2 609 260 60 LYS HG3 H 1.41 . 2 610 260 60 LYS C C 176.20 . 1 611 260 60 LYS CA C 56.14 . 1 612 260 60 LYS CB C 32.90 . 1 613 260 60 LYS CG C 24.79 . 1 614 260 60 LYS CD C 29.08 . 1 615 260 60 LYS CE C 42.12 . 1 616 260 60 LYS N N 123.10 . 1 617 261 61 LYS H H 8.43 . 1 618 261 61 LYS HA H 4.55 . 1 619 261 61 LYS HB2 H 1.72 . 2 620 261 61 LYS HB3 H 1.72 . 2 621 261 61 LYS HG2 H 1.46 . 2 622 261 61 LYS HG3 H 1.46 . 2 623 261 61 LYS C C 174.36 . 1 624 261 61 LYS CA C 54.29 . 1 625 261 61 LYS CB C 32.59 . 1 626 261 61 LYS N N 124.75 . 1 627 262 62 PRO HA H 4.44 . 1 628 262 62 PRO HB2 H 2.25 . 2 629 262 62 PRO HB3 H 2.25 . 2 630 262 62 PRO HG2 H 2.00 . 2 631 262 62 PRO HG3 H 2.00 . 2 632 262 62 PRO HD2 H 3.61 . 2 633 262 62 PRO HD3 H 3.61 . 2 634 262 62 PRO C C 176.93 . 1 635 262 62 PRO CA C 62.91 . 1 636 262 62 PRO CB C 32.16 . 1 637 262 62 PRO CG C 27.52 . 1 638 262 62 PRO CD C 50.63 . 1 639 263 63 LEU H H 8.56 . 1 640 263 63 LEU HA H 4.39 . 1 641 263 63 LEU HB2 H 1.63 . 2 642 263 63 LEU HB3 H 1.63 . 2 643 263 63 LEU HD1 H 0.89 . 2 644 263 63 LEU HD2 H 0.89 . 2 645 263 63 LEU C C 178.01 . 1 646 263 63 LEU CA C 55.32 . 1 647 263 63 LEU CB C 42.47 . 1 648 263 63 LEU CG C 27.07 . 1 649 263 63 LEU CD1 C 23.50 . 2 650 263 63 LEU CD2 C 25.21 . 2 651 263 63 LEU N N 122.91 . 1 652 264 64 THR H H 8.36 . 1 653 264 64 THR HA H 4.36 . 1 654 264 64 THR HB H 4.25 . 1 655 264 64 THR HG2 H 1.21 . 1 656 264 64 THR C C 174.71 . 1 657 264 64 THR CA C 61.41 . 1 658 264 64 THR CB C 70.32 . 1 659 264 64 THR CG2 C 21.75 . 1 660 264 64 THR N N 113.79 . 1 661 265 65 ASP H H 8.59 . 1 662 265 65 ASP HA H 4.49 . 1 663 265 65 ASP HB2 H 2.66 . 2 664 265 65 ASP HB3 H 2.66 . 2 665 265 65 ASP C C 177.16 . 1 666 265 65 ASP CA C 55.55 . 1 667 265 65 ASP CB C 40.65 . 1 668 265 65 ASP N N 121.84 . 1 669 266 66 GLN H H 8.41 . 1 670 266 66 GLN HA H 4.20 . 1 671 266 66 GLN HB2 H 2.01 . 2 672 266 66 GLN HB3 H 2.01 . 2 673 266 66 GLN HG2 H 2.36 . 2 674 266 66 GLN HG3 H 2.36 . 2 675 266 66 GLN C C 176.89 . 1 676 266 66 GLN CA C 56.92 . 1 677 266 66 GLN CB C 29.10 . 1 678 266 66 GLN CG C 33.87 . 1 679 266 66 GLN N N 119.95 . 1 680 267 67 GLU H H 8.26 . 1 681 267 67 GLU HA H 4.14 . 1 682 267 67 GLU HB2 H 2.05 . 2 683 267 67 GLU HB3 H 2.05 . 2 684 267 67 GLU HG2 H 2.25 . 2 685 267 67 GLU HG3 H 2.25 . 2 686 267 67 GLU C C 177.28 . 1 687 267 67 GLU CA C 57.21 . 1 688 267 67 GLU CB C 30.30 . 1 689 267 67 GLU CG C 36.61 . 1 690 267 67 GLU N N 121.17 . 1 691 268 68 LYS H H 8.32 . 1 692 268 68 LYS HA H 4.18 . 1 693 268 68 LYS HB2 H 1.81 . 2 694 268 68 LYS HB3 H 1.81 . 2 695 268 68 LYS HG2 H 1.68 . 2 696 268 68 LYS HG3 H 1.68 . 2 697 268 68 LYS HE2 H 2.95 . 2 698 268 68 LYS HE3 H 2.95 . 2 699 268 68 LYS C C 177.57 . 1 700 268 68 LYS CA C 57.36 . 1 701 268 68 LYS CB C 32.76 . 1 702 268 68 LYS CG C 25.03 . 1 703 268 68 LYS CD C 29.18 . 1 704 268 68 LYS CE C 42.01 . 1 705 268 68 LYS N N 121.69 . 1 706 269 69 GLY H H 8.44 . 1 707 269 69 GLY HA2 H 3.95 . 2 708 269 69 GLY HA3 H 3.95 . 2 709 269 69 GLY C C 174.48 . 1 710 269 69 GLY CA C 45.59 . 1 711 269 69 GLY N N 109.37 . 1 712 270 70 ARG H H 8.07 . 1 713 270 70 ARG HA H 4.29 . 1 714 270 70 ARG HB2 H 1.86 . 2 715 270 70 ARG HB3 H 1.86 . 2 716 270 70 ARG HG2 H 1.62 . 2 717 270 70 ARG HG3 H 1.62 . 2 718 270 70 ARG HD2 H 3.16 . 2 719 270 70 ARG HD3 H 3.16 . 2 720 270 70 ARG C C 176.72 . 1 721 270 70 ARG CA C 56.41 . 1 722 270 70 ARG CB C 30.69 . 1 723 270 70 ARG CG C 27.10 . 1 724 270 70 ARG CD C 43.32 . 1 725 270 70 ARG N N 120.25 . 1 726 271 71 GLU H H 8.61 . 1 727 271 71 GLU HA H 4.18 . 1 728 271 71 GLU HB2 H 1.92 . 2 729 271 71 GLU HB3 H 1.92 . 2 730 271 71 GLU HG2 H 2.25 . 2 731 271 71 GLU HG3 H 2.25 . 2 732 271 71 GLU C C 176.75 . 1 733 271 71 GLU CA C 57.18 . 1 734 271 71 GLU CB C 29.79 . 1 735 271 71 GLU CG C 36.19 . 1 736 271 71 GLU N N 121.65 . 1 737 272 72 MET H H 8.36 . 1 738 272 72 MET HA H 4.37 . 1 739 272 72 MET HB2 H 1.94 . 2 740 272 72 MET HB3 H 1.94 . 2 741 272 72 MET HG2 H 2.41 . 2 742 272 72 MET HG3 H 2.41 . 2 743 272 72 MET C C 176.01 . 1 744 272 72 MET CA C 55.66 . 1 745 272 72 MET CB C 32.53 . 1 746 272 72 MET CG C 31.77 . 1 747 272 72 MET N N 120.37 . 1 748 273 73 TYR H H 8.36 . 1 749 273 73 TYR HA H 4.54 . 1 750 273 73 TYR HB2 H 3.00 . 2 751 273 73 TYR HB3 H 3.00 . 2 752 273 73 TYR C C 175.43 . 1 753 273 73 TYR CA C 57.85 . 1 754 273 73 TYR CB C 38.60 . 1 755 273 73 TYR N N 120.23 . 1 756 274 74 GLN H H 8.20 . 1 757 274 74 GLN HA H 4.27 . 1 758 274 74 GLN HB2 H 1.94 . 2 759 274 74 GLN HB3 H 1.94 . 2 760 274 74 GLN HG2 H 2.25 . 2 761 274 74 GLN HG3 H 2.25 . 2 762 274 74 GLN C C 175.31 . 1 763 274 74 GLN CA C 55.56 . 1 764 274 74 GLN CB C 29.68 . 1 765 274 74 GLN CG C 33.69 . 1 766 274 74 GLN N N 121.76 . 1 767 275 75 ILE H H 8.22 . 1 768 275 75 ILE HA H 4.08 . 1 769 275 75 ILE HB H 1.81 . 1 770 275 75 ILE HG12 H 1.13 . 2 771 275 75 ILE HG13 H 1.48 . 2 772 275 75 ILE HG2 H 0.87 . 1 773 275 75 ILE C C 175.91 . 1 774 275 75 ILE CA C 61.15 . 1 775 275 75 ILE CB C 38.63 . 1 776 275 75 ILE CG1 C 27.42 . 1 777 275 75 ILE CG2 C 17.35 . 1 778 275 75 ILE N N 122.76 . 1 779 276 76 LEU H H 8.37 . 1 780 276 76 LEU HA H 4.38 . 1 781 276 76 LEU HB2 H 1.55 . 2 782 276 76 LEU HB3 H 1.55 . 2 783 276 76 LEU HD1 H 0.87 . 2 784 276 76 LEU HD2 H 0.87 . 2 785 276 76 LEU C C 176.67 . 1 786 276 76 LEU CA C 54.96 . 1 787 276 76 LEU CB C 42.55 . 1 788 276 76 LEU CG C 27.21 . 1 789 276 76 LEU CD1 C 23.87 . 2 790 276 76 LEU CD2 C 24.74 . 2 791 276 76 LEU N N 127.23 . 1 792 277 77 VAL H H 8.31 . 1 793 277 77 VAL HA H 4.07 . 1 794 277 77 VAL HB H 1.99 . 1 795 277 77 VAL HG1 H 0.89 . 2 796 277 77 VAL HG2 H 1.99 . 2 797 277 77 VAL C C 175.82 . 1 798 277 77 VAL CA C 62.27 . 1 799 277 77 VAL CB C 32.79 . 1 800 277 77 VAL CG1 C 20.99 . 2 801 277 77 VAL N N 123.74 . 1 802 278 78 ILE H H 8.49 . 1 803 278 78 ILE HA H 4.23 . 1 804 278 78 ILE HB H 1.88 . 1 805 278 78 ILE HD1 H 0.87 . 1 806 278 78 ILE C C 176.35 . 1 807 278 78 ILE CA C 60.80 . 1 808 278 78 ILE CB C 38.48 . 1 809 278 78 ILE CG1 C 27.18 . 1 810 278 78 ILE CG2 C 17.48 . 1 811 278 78 ILE N N 126.75 . 1 812 279 79 THR H H 8.34 . 1 813 279 79 THR HA H 4.19 . 1 814 279 79 THR HB H 4.33 . 1 815 279 79 THR HG2 H 1.18 . 1 816 279 79 THR C C 174.34 . 1 817 279 79 THR CA C 61.73 . 1 818 279 79 THR CB C 69.77 . 1 819 279 79 THR CG2 C 21.79 . 1 820 279 79 THR N N 119.90 . 1 821 280 80 GLU H H 8.58 . 1 822 280 80 GLU HA H 4.23 . 1 823 280 80 GLU HB2 H 2.04 . 2 824 280 80 GLU HB3 H 1.91 . 2 825 280 80 GLU HG2 H 2.25 . 2 826 280 80 GLU HG3 H 2.25 . 2 827 280 80 GLU C C 176.03 . 1 828 280 80 GLU CA C 56.64 . 1 829 280 80 GLU CB C 30.50 . 1 830 280 80 GLU CG C 36.24 . 1 831 280 80 GLU N N 123.53 . 1 832 281 81 ASP H H 8.50 . 1 833 281 81 ASP HA H 4.59 . 1 834 281 81 ASP HB2 H 2.69 . 2 835 281 81 ASP HB3 H 2.55 . 2 836 281 81 ASP C C 176.36 . 1 837 281 81 ASP CA C 54.50 . 1 838 281 81 ASP CB C 40.91 . 1 839 281 81 ASP N N 122.08 . 1 840 282 82 ILE H H 8.12 . 1 841 282 82 ILE HA H 4.13 . 1 842 282 82 ILE HB H 1.88 . 1 843 282 82 ILE HG12 H 1.43 . 2 844 282 82 ILE HG13 H 1.17 . 2 845 282 82 ILE HG2 H 0.89 . 1 846 282 82 ILE C C 176.53 . 1 847 282 82 ILE CA C 61.55 . 1 848 282 82 ILE CB C 38.84 . 1 849 282 82 ILE CG1 C 27.38 . 1 850 282 82 ILE CG2 C 17.46 . 1 851 282 82 ILE N N 121.36 . 1 852 283 83 GLU H H 8.51 . 1 853 283 83 GLU HA H 4.19 . 1 854 283 83 GLU HB2 H 1.98 . 2 855 283 83 GLU HB3 H 1.98 . 2 856 283 83 GLU HG2 H 2.25 . 2 857 283 83 GLU HG3 H 2.25 . 2 858 283 83 GLU C C 176.71 . 1 859 283 83 GLU CA C 57.06 . 1 860 283 83 GLU CB C 29.90 . 1 861 283 83 GLU CG C 36.30 . 1 862 283 83 GLU N N 124.33 . 1 863 284 84 LYS H H 8.26 . 1 864 284 84 LYS HA H 4.23 . 1 865 284 84 LYS HB2 H 1.72 . 2 866 284 84 LYS HB3 H 1.72 . 2 867 284 84 LYS HG2 H 1.43 . 2 868 284 84 LYS HG3 H 1.43 . 2 869 284 84 LYS HE2 H 2.97 . 2 870 284 84 LYS HE3 H 2.97 . 2 871 284 84 LYS C C 176.69 . 1 872 284 84 LYS CA C 56.62 . 1 873 284 84 LYS CB C 33.15 . 1 874 284 84 LYS CG C 24.71 . 1 875 284 84 LYS CD C 29.05 . 1 876 284 84 LYS N N 122.48 . 1 877 285 85 GLU H H 8.45 . 1 878 285 85 GLU HA H 4.22 . 1 879 285 85 GLU HB2 H 1.98 . 2 880 285 85 GLU HB3 H 1.98 . 2 881 285 85 GLU HG2 H 2.26 . 2 882 285 85 GLU HG3 H 2.26 . 2 883 285 85 GLU C C 176.89 . 1 884 285 85 GLU CA C 56.81 . 1 885 285 85 GLU CB C 29.96 . 1 886 285 85 GLU CG C 36.16 . 1 887 285 85 GLU N N 122.43 . 1 888 286 86 ILE H H 8.31 . 1 889 286 86 ILE HA H 4.06 . 1 890 286 86 ILE HB H 1.83 . 1 891 286 86 ILE HG12 H 1.51 . 2 892 286 86 ILE HG13 H 1.17 . 2 893 286 86 ILE HG2 H 0.88 . 1 894 286 86 ILE C C 176.52 . 1 895 286 86 ILE CA C 61.60 . 1 896 286 86 ILE CB C 38.64 . 1 897 286 86 ILE CG1 C 27.47 . 1 898 286 86 ILE CG2 C 17.33 . 1 899 286 86 ILE N N 122.55 . 1 900 287 87 GLU H H 8.50 . 1 901 287 87 GLU HA H 4.19 . 1 902 287 87 GLU HB2 H 1.98 . 2 903 287 87 GLU HB3 H 1.98 . 2 904 287 87 GLU HG2 H 2.24 . 2 905 287 87 GLU HG3 H 2.24 . 2 906 287 87 GLU C C 176.50 . 1 907 287 87 GLU CA C 56.96 . 1 908 287 87 GLU CB C 30.25 . 1 909 287 87 GLU CG C 36.16 . 1 910 287 87 GLU N N 124.98 . 1 911 288 88 ASN H H 8.57 . 1 912 288 88 ASN HA H 4.63 . 1 913 288 88 ASN HB2 H 2.77 . 2 914 288 88 ASN HB3 H 2.77 . 2 915 288 88 ASN C C 175.13 . 1 916 288 88 ASN CA C 53.43 . 1 917 288 88 ASN CB C 38.90 . 1 918 288 88 ASN N N 120.19 . 1 919 289 89 ALA H H 8.35 . 1 920 289 89 ALA HA H 4.28 . 1 921 289 89 ALA HB H 1.38 . 1 922 289 89 ALA C C 177.86 . 1 923 289 89 ALA CA C 52.98 . 1 924 289 89 ALA CB C 19.13 . 1 925 289 89 ALA N N 124.72 . 1 926 290 90 LEU H H 8.22 . 1 927 290 90 LEU HA H 4.34 . 1 928 290 90 LEU HB2 H 1.65 . 2 929 290 90 LEU HB3 H 1.65 . 2 930 290 90 LEU HD1 H 0.89 . 2 931 290 90 LEU HD2 H 0.89 . 2 932 290 90 LEU C C 177.83 . 1 933 290 90 LEU CA C 55.13 . 1 934 290 90 LEU CB C 42.41 . 1 935 290 90 LEU CG C 26.79 . 1 936 290 90 LEU CD1 C 23.25 . 2 937 290 90 LEU CD2 C 25.13 . 2 938 290 90 LEU N N 120.40 . 1 939 291 91 GLY H H 8.18 . 1 940 291 91 GLY HA2 H 4.02 . 2 941 291 91 GLY HA3 H 4.02 . 2 942 291 91 GLY C C 171.75 . 1 943 291 91 GLY CA C 44.54 . 1 944 291 91 GLY N N 109.38 . 1 945 292 92 PRO HA H 4.44 . 1 946 292 92 PRO HB2 H 2.24 . 2 947 292 92 PRO HB3 H 2.24 . 2 948 292 92 PRO HG2 H 2.01 . 2 949 292 92 PRO HG3 H 2.01 . 2 950 292 92 PRO HD2 H 3.62 . 2 951 292 92 PRO HD3 H 3.62 . 2 952 292 92 PRO C C 177.50 . 1 953 292 92 PRO CA C 63.23 . 1 954 292 92 PRO CB C 32.39 . 1 955 292 92 PRO CG C 27.03 . 1 956 292 92 PRO CD C 49.63 . 1 957 293 93 GLY H H 8.48 . 1 958 293 93 GLY HA2 H 4.01 . 2 959 293 93 GLY HA3 H 4.01 . 2 960 293 93 GLY C C 171.79 . 1 961 293 93 GLY CA C 44.41 . 1 962 293 93 GLY N N 109.64 . 1 963 294 94 PRO HA H 4.40 . 1 964 294 94 PRO HB2 H 2.26 . 2 965 294 94 PRO HB3 H 2.26 . 2 966 294 94 PRO HG2 H 1.99 . 2 967 294 94 PRO HG3 H 1.99 . 2 968 294 94 PRO HD2 H 3.61 . 2 969 294 94 PRO HD3 H 3.61 . 2 970 294 94 PRO C C 177.22 . 1 971 294 94 PRO CA C 63.20 . 1 972 294 94 PRO CB C 32.11 . 1 973 294 94 PRO CG C 27.29 . 1 974 294 94 PRO CD C 49.69 . 1 975 295 95 GLN H H 8.67 . 1 976 295 95 GLN HA H 4.33 . 1 977 295 95 GLN HB2 H 2.12 . 2 978 295 95 GLN HB3 H 1.98 . 2 979 295 95 GLN HG2 H 2.37 . 2 980 295 95 GLN HG3 H 2.37 . 2 981 295 95 GLN C C 175.91 . 1 982 295 95 GLN CA C 55.53 . 1 983 295 95 GLN CB C 29.64 . 1 984 295 95 GLN CG C 33.73 . 1 985 295 95 GLN N N 121.03 . 1 986 296 96 GLU H H 8.49 . 1 987 296 96 GLU HA H 4.25 . 1 988 296 96 GLU HB2 H 1.92 . 2 989 296 96 GLU HB3 H 1.92 . 2 990 296 96 GLU HG2 H 2.24 . 2 991 296 96 GLU HG3 H 2.24 . 2 992 296 96 GLU C C 176.20 . 1 993 296 96 GLU CA C 56.41 . 1 994 296 96 GLU CB C 30.62 . 1 995 296 96 GLU CG C 36.19 . 1 996 296 96 GLU N N 122.64 . 1 997 297 97 GLU H H 8.55 . 1 998 297 97 GLU HA H 4.24 . 1 999 297 97 GLU HB2 H 1.91 . 2 1000 297 97 GLU HB3 H 1.91 . 2 1001 297 97 GLU HG2 H 2.20 . 2 1002 297 97 GLU HG3 H 2.20 . 2 1003 297 97 GLU C C 175.96 . 1 1004 297 97 GLU CA C 56.40 . 1 1005 297 97 GLU CB C 30.48 . 1 1006 297 97 GLU CG C 36.16 . 1 1007 297 97 GLU N N 123.02 . 1 1008 298 98 ILE H H 8.44 . 1 1009 298 98 ILE HA H 4.14 . 1 1010 298 98 ILE HB H 1.83 . 1 1011 298 98 ILE HG12 H 1.49 . 2 1012 298 98 ILE HG13 H 1.16 . 2 1013 298 98 ILE HD1 H 0.87 . 1 1014 298 98 ILE C C 176.15 . 1 1015 298 98 ILE CA C 60.89 . 1 1016 298 98 ILE CB C 38.43 . 1 1017 298 98 ILE CG1 C 27.21 . 1 1018 298 98 ILE CG2 C 17.32 . 1 1019 298 98 ILE CD1 C 16.15 . 1 1020 298 98 ILE N N 124.11 . 1 1021 299 99 LEU H H 8.58 . 1 1022 299 99 LEU HA H 4.46 . 1 1023 299 99 LEU HB2 H 1.63 . 2 1024 299 99 LEU HB3 H 1.63 . 2 1025 299 99 LEU HD1 H 0.88 . 2 1026 299 99 LEU HD2 H 0.88 . 2 1027 299 99 LEU C C 176.46 . 1 1028 299 99 LEU CA C 54.97 . 1 1029 299 99 LEU CB C 42.29 . 1 1030 299 99 LEU CG C 26.89 . 1 1031 299 99 LEU CD1 C 23.74 . 2 1032 299 99 LEU CD2 C 25.14 . 2 1033 299 99 LEU N N 128.57 . 1 1034 300 100 SER H H 8.02 . 1 1035 300 100 SER HA H 4.24 . 1 1036 300 100 SER HB2 H 3.84 . 2 1037 300 100 SER HB3 H 3.84 . 2 1038 300 100 SER CA C 59.88 . 1 1039 300 100 SER CB C 64.84 . 1 1040 300 100 SER N N 122.83 . 1 stop_ save_