data_7175 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Bacillus Subilis YorP ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot Theresa A. . 2 Kennedy Michael A. . stop_ _BMRB_accession_number 7175 _BMRB_flat_file_name bmr7175.str _Entry_type new _Submission_date 2006-06-19 _Accession_date 2006-06-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 473 "13C chemical shifts" 362 "15N chemical shifts" 81 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; NMR structure of YorP from Bacillus sbutilis ; _Citation_status published _Citation_type "BMRB only" _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot Theresa A. . 2 Kennedy Michael A. . stop_ _Page_first ? _Page_last ? _Year ? save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name YorP _Abbreviation_common YorP loop_ _Mol_system_component_name _Mol_label protein $YorP stop_ _System_molecular_weight 9542 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "all free" save_ ######################## # Monomeric polymers # ######################## save_YorP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YorP _Mol_thiol_state "all free" ############################## # Polymer residue sequence # ############################## _Residue_count 84 _Mol_residue_sequence ; MAGDPLPKYWSYPVGLAVEI NNNARYGCPHHVGRKGKIIE HLHSATYDYAVSDETGDITY FKEHELTPLKGGLAYVLEHH HHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLY 4 ASP 5 PRO 6 LEU 7 PRO 8 LYS 9 TYR 10 TRP 11 SER 12 TYR 13 PRO 14 VAL 15 GLY 16 LEU 17 ALA 18 VAL 19 GLU 20 ILE 21 ASN 22 ASN 23 ASN 24 ALA 25 ARG 26 TYR 27 GLY 28 CYS 29 PRO 30 HIS 31 HIS 32 VAL 33 GLY 34 ARG 35 LYS 36 GLY 37 LYS 38 ILE 39 ILE 40 GLU 41 HIS 42 LEU 43 HIS 44 SER 45 ALA 46 THR 47 TYR 48 ASP 49 TYR 50 ALA 51 VAL 52 SER 53 ASP 54 GLU 55 THR 56 GLY 57 ASP 58 ILE 59 THR 60 TYR 61 PHE 62 LYS 63 GLU 64 HIS 65 GLU 66 LEU 67 THR 68 PRO 69 LEU 70 LYS 71 GLY 72 GLY 73 LEU 74 ALA 75 TYR 76 VAL 77 LEU 78 GLU 79 HIS 80 HIS 81 HIS 82 HIS 83 HIS 84 HIS stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $YorP "Bacillus subtilis" 1423 Eubacteria ? Bacillus subtilis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $YorP "recombinant technology" "E. coli" ? ? ? plasmid PET21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YorP 1 mM "[U-100% 13C; U-100% 15N]" NH4OAc 20 mM ? NaCL 100 mM ? stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 save_ save_750MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 750 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 0.1 pH temperature 293 1 K "ionic strength" 100 10 mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference 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 H 1 "methyl protons" ppm 0.0 internal direct ? ? ? 1.0 DSS C 13 "methyl protons" ppm 0.0 . indirect ? ? ? 0.251449530 DSS N 15 "methyl protons" ppm 0.0 . indirect ? ? ? 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name protein loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 ALA HA H 4.09 0.02 1 2 2 ALA HB H 1.49 0.02 1 3 2 ALA C C 174.1 0.2 1 4 2 ALA CA C 52.3 0.2 1 5 2 ALA CB C 19.2 0.2 1 6 3 GLY H H 8.62 0.02 1 7 3 GLY HA2 H 3.95 0.02 1 8 3 GLY HA3 H 3.95 0.02 1 9 3 GLY C C 173.4 0.2 1 10 3 GLY CA C 44.7 0.2 1 11 3 GLY N N 108.6 0.2 1 12 4 ASP H H 8.35 0.02 1 13 4 ASP HA H 4.79 0.02 1 14 4 ASP HB2 H 2.40 0.02 2 15 4 ASP HB3 H 2.65 0.02 2 16 4 ASP CA C 52.7 0.2 1 17 4 ASP CB C 40.5 0.2 1 18 4 ASP N N 121.9 0.2 1 19 5 PRO HA H 4.37 0.02 1 20 5 PRO HB2 H 1.83 0.02 2 21 5 PRO HB3 H 2.18 0.02 2 22 5 PRO HG2 H 1.95 0.02 1 23 5 PRO HG3 H 1.95 0.02 1 24 5 PRO HD2 H 3.64 0.02 2 25 5 PRO HD3 H 3.79 0.02 2 26 5 PRO C C 176.5 0.2 1 27 5 PRO CA C 62.9 0.2 1 28 5 PRO CB C 32.0 0.2 1 29 5 PRO CG C 27.2 0.2 1 30 5 PRO CD C 50.5 0.2 1 31 6 LEU H H 8.30 0.02 1 32 6 LEU HA H 4.49 0.02 1 33 6 LEU HB2 H 1.48 0.02 1 34 6 LEU HB3 H 1.48 0.02 1 35 6 LEU HG H 1.63 0.02 1 36 6 LEU HD1 H 0.88 0.02 1 37 6 LEU HD2 H 0.85 0.02 1 38 6 LEU CA C 53.0 0.2 1 39 6 LEU CB C 41.5 0.2 1 40 6 LEU CG C 27.0 0.2 1 41 6 LEU CD1 C 25.1 0.02 1 42 6 LEU CD2 C 23.4 0.02 1 43 6 LEU N N 123.6 0.2 1 44 7 PRO HA H 4.26 0.02 1 45 7 PRO HB2 H 1.67 0.02 2 46 7 PRO HB3 H 2.14 0.02 2 47 7 PRO HG2 H 1.94 0.02 1 48 7 PRO HG3 H 1.94 0.02 1 49 7 PRO HD2 H 3.54 0.02 2 50 7 PRO HD3 H 3.76 0.02 2 51 7 PRO C C 175.9 0.2 1 52 7 PRO CA C 62.8 0.2 1 53 7 PRO CB C 31.9 0.2 1 54 7 PRO CG C 27.3 0.2 1 55 7 PRO CD C 50.4 0.2 1 56 8 LYS H H 7.81 0.02 1 57 8 LYS HA H 3.85 0.02 1 58 8 LYS HB2 H 0.80 0.02 2 59 8 LYS HB3 H 1.00 0.02 2 60 8 LYS HG2 H 0.49 0.02 2 61 8 LYS HG3 H 0.66 0.02 2 62 8 LYS HD2 H 1.28 0.02 1 63 8 LYS HD3 H 1.28 0.02 1 64 8 LYS HE2 H 2.45 0.02 2 65 8 LYS HE3 H 2.67 0.02 2 66 8 LYS C C 174.0 0.2 1 67 8 LYS CA C 55.5 0.2 1 68 8 LYS CB C 33.1 0.2 1 69 8 LYS CG C 24.5 0.2 1 70 8 LYS CD C 28.9 0.2 1 71 8 LYS CE C 42.1 0.2 1 72 8 LYS N N 121.7 0.2 1 73 9 TYR H H 7.65 0.02 1 74 9 TYR HA H 4.29 0.02 1 75 9 TYR HB2 H 2.58 0.02 1 76 9 TYR HB3 H 2.58 0.02 1 77 9 TYR HD1 H 6.84 0.02 1 78 9 TYR HD2 H 6.84 0.02 1 79 9 TYR HE1 H 6.66 0.02 1 80 9 TYR HE2 H 6.66 0.02 1 81 9 TYR C C 173.8 0.2 1 82 9 TYR CA C 56.7 0.2 1 83 9 TYR CB C 40.3 0.2 1 84 9 TYR CD1 C 133.2 0.02 1 85 9 TYR CD2 C 133.2 0.02 1 86 9 TYR CE1 C 118.0 0.02 1 87 9 TYR CE2 C 118.0 0.02 1 88 9 TYR N N 121.6 0.2 1 89 10 TRP H H 8.04 0.02 1 90 10 TRP HA H 4.29 0.02 1 91 10 TRP HB2 H 2.76 0.02 2 92 10 TRP HB3 H 2.43 0.02 2 93 10 TRP HD1 H 6.14 0.02 1 94 10 TRP HE1 H 9.50 0.02 1 95 10 TRP HE3 H 7.44 0.02 1 96 10 TRP HZ2 H 6.68 0.02 1 97 10 TRP HZ3 H 6.77 0.02 1 98 10 TRP HH2 H 6.96 0.02 1 99 10 TRP C C 175.5 0.2 1 100 10 TRP CA C 58.2 0.2 1 101 10 TRP CB C 29.2 0.2 1 102 10 TRP CD1 C 126.4 0.2 1 103 10 TRP CE3 C 121.2 0.2 1 104 10 TRP CZ2 C 113.6 0.2 1 105 10 TRP CZ3 C 124.1 0.2 1 106 10 TRP CH2 C 122.3 0.2 1 107 10 TRP N N 123.8 0.2 1 108 10 TRP NE1 N 127.8 0.2 1 109 11 SER H H 8.58 0.02 1 110 11 SER HA H 4.12 0.02 1 111 11 SER HB2 H 2.82 0.02 2 112 11 SER HB3 H 3.42 0.02 2 113 11 SER C C 174.0 0.2 1 114 11 SER CA C 60.6 0.2 1 115 11 SER CB C 62.5 0.2 1 116 11 SER N N 119.7 0.2 1 117 12 TYR H H 8.02 0.02 1 118 12 TYR HA H 5.40 0.02 1 119 12 TYR HB2 H 2.52 0.02 2 120 12 TYR HB3 H 2.69 0.02 2 121 12 TYR HD1 H 6.53 0.02 1 122 12 TYR HD2 H 6.53 0.02 1 123 12 TYR HE1 H 6.75 0.02 1 124 12 TYR HE2 H 6.75 0.02 1 125 12 TYR CA C 51.3 0.2 1 126 12 TYR CB C 38.6 0.2 1 127 12 TYR CD1 C 131.2 0.02 1 128 12 TYR CD2 C 131.2 0.02 1 129 12 TYR CE1 C 117.9 0.02 1 130 12 TYR CE2 C 117.9 0.02 1 131 12 TYR N N 118.6 0.2 1 132 13 PRO HA H 4.61 0.02 1 133 13 PRO HB2 H 1.95 0.02 2 134 13 PRO HB3 H 2.31 0.02 2 135 13 PRO HG2 H 1.96 0.02 2 136 13 PRO HG3 H 2.11 0.02 2 137 13 PRO HD2 H 3.79 0.02 2 138 13 PRO HD3 H 4.13 0.02 2 139 13 PRO C C 175.6 0.2 1 140 13 PRO CA C 62.3 0.2 1 141 13 PRO CB C 32.4 0.2 1 142 13 PRO CG C 27.0 0.2 1 143 13 PRO CD C 51.6 0.2 1 144 14 VAL H H 8.26 0.02 1 145 14 VAL HA H 3.07 0.02 1 146 14 VAL HB H 1.62 0.02 1 147 14 VAL HG1 H 0.68 0.02 1 148 14 VAL HG2 H 0.23 0.02 1 149 14 VAL C C 177.0 0.2 1 150 14 VAL CA C 65.6 0.2 1 151 14 VAL CB C 30.8 0.2 1 152 14 VAL CG1 C 21.5 0.02 1 153 14 VAL CG2 C 21.8 0.02 1 154 14 VAL N N 119.5 0.2 1 155 15 GLY H H 8.82 0.02 1 156 15 GLY HA2 H 3.49 0.02 2 157 15 GLY HA3 H 4.39 0.02 2 158 15 GLY C C 173.8 0.2 1 159 15 GLY CA C 44.0 0.2 1 160 15 GLY N N 116.4 0.2 1 161 16 LEU H H 7.42 0.02 1 162 16 LEU HA H 4.03 0.02 1 163 16 LEU HB2 H 1.39 0.02 2 164 16 LEU HB3 H 1.56 0.02 2 165 16 LEU HG H 1.65 0.02 1 166 16 LEU HD1 H 0.94 0.02 1 167 16 LEU HD2 H 0.44 0.02 1 168 16 LEU C C 176.0 0.2 1 169 16 LEU CA C 55.8 0.2 1 170 16 LEU CB C 43.4 0.2 1 171 16 LEU CG C 25.7 0.2 1 172 16 LEU CD1 C 23.7 0.02 1 173 16 LEU CD2 C 27.4 0.02 1 174 16 LEU N N 122.0 0.2 1 175 17 ALA H H 8.38 0.02 1 176 17 ALA HA H 4.94 0.02 1 177 17 ALA HB H 1.38 0.02 1 178 17 ALA C C 177.2 0.2 1 179 17 ALA CA C 51.7 0.2 1 180 17 ALA CB C 19.3 0.2 1 181 17 ALA N N 129.0 0.2 1 182 18 VAL H H 8.63 0.02 1 183 18 VAL HA H 4.80 0.02 1 184 18 VAL HB H 1.59 0.02 1 185 18 VAL HG1 H 0.20 0.02 1 186 18 VAL HG2 H 0.27 0.02 1 187 18 VAL C C 173.2 0.2 1 188 18 VAL CA C 58.5 0.2 1 189 18 VAL CB C 36.2 0.2 1 190 18 VAL CG1 C 21.6 0.02 1 191 18 VAL CG2 C 17.4 0.02 1 192 18 VAL N N 115.0 0.2 1 193 19 GLU H H 8.90 0.02 1 194 19 GLU HA H 4.90 0.02 1 195 19 GLU HB2 H 1.75 0.02 1 196 19 GLU HB3 H 1.75 0.02 1 197 19 GLU HG2 H 1.92 0.02 1 198 19 GLU HG3 H 1.92 0.02 1 199 19 GLU C C 175.0 0.2 1 200 19 GLU CA C 53.9 0.2 1 201 19 GLU CB C 32.9 0.2 1 202 19 GLU CG C 36.3 0.2 1 203 19 GLU N N 119.2 0.2 1 204 20 ILE H H 8.31 0.02 1 205 20 ILE HA H 3.94 0.02 1 206 20 ILE HB H 1.73 0.02 1 207 20 ILE HG12 H 0.31 0.02 2 208 20 ILE HG13 H 0.83 0.02 2 209 20 ILE HG2 H 0.54 0.02 1 210 20 ILE HD1 H 0.36 0.02 1 211 20 ILE C C 176.4 0.2 1 212 20 ILE CA C 61.1 0.2 1 213 20 ILE CB C 37.3 0.2 1 214 20 ILE CG1 C 27.6 0.2 1 215 20 ILE CG2 C 19.3 0.2 1 216 20 ILE CD1 C 13.7 0.2 1 217 20 ILE N N 125.4 0.2 1 218 21 ASN H H 8.59 0.02 1 219 21 ASN HA H 4.77 0.02 1 220 21 ASN HB2 H 2.59 0.02 2 221 21 ASN HB3 H 3.02 0.02 2 222 21 ASN HD21 H 7.32 0.02 2 223 21 ASN HD22 H 6.85 0.02 2 224 21 ASN C C 175.2 0.2 1 225 21 ASN CA C 52.7 0.2 1 226 21 ASN CB C 39.6 0.2 1 227 21 ASN N N 128.0 0.2 1 228 21 ASN ND2 N 112.4 0.2 1 229 22 ASN H H 8.40 0.02 1 230 22 ASN HA H 4.53 0.02 1 231 22 ASN HB2 H 2.74 0.02 2 232 22 ASN HB3 H 2.80 0.02 2 233 22 ASN HD21 H 7.64 0.02 1 234 22 ASN HD22 H 6.94 0.02 1 235 22 ASN C C 177.0 0.2 1 236 22 ASN CA C 54.7 0.2 1 237 22 ASN CB C 38.7 0.2 1 238 22 ASN N N 115.8 0.2 1 239 22 ASN ND2 N 112.8 0.2 1 240 23 ASN H H 9.04 0.02 1 241 23 ASN HA H 4.65 0.02 1 242 23 ASN HB2 H 2.83 0.02 2 243 23 ASN HB3 H 2.92 0.02 2 244 23 ASN HD21 H 7.50 0.02 1 245 23 ASN HD22 H 7.14 0.02 1 246 23 ASN C C 176.1 0.2 1 247 23 ASN CA C 54.7 0.2 1 248 23 ASN CB C 38.3 0.2 1 249 23 ASN N N 119.4 0.2 1 250 23 ASN ND2 N 114.0 0.2 1 251 24 ALA H H 8.17 0.02 1 252 24 ALA HA H 4.57 0.02 1 253 24 ALA HB H 1.48 0.02 1 254 24 ALA C C 177.3 0.2 1 255 24 ALA CA C 52.7 0.2 1 256 24 ALA CB C 19.3 0.2 1 257 24 ALA N N 122.3 0.2 1 258 25 ARG H H 7.74 0.02 1 259 25 ARG HA H 3.92 0.02 1 260 25 ARG HB2 H 1.67 0.02 2 261 25 ARG HB3 H 1.76 0.02 2 262 25 ARG HG2 H 1.16 0.02 2 263 25 ARG HG3 H 1.37 0.02 2 264 25 ARG HD2 H 3.06 0.02 2 265 25 ARG HD3 H 3.09 0.02 2 266 25 ARG HE H 7.22 0.02 1 267 25 ARG C C 175.8 0.2 1 268 25 ARG CA C 57.6 0.2 1 269 25 ARG CB C 30.2 0.2 1 270 25 ARG CG C 26.6 0.2 1 271 25 ARG CD C 43.3 0.2 1 272 25 ARG N N 117.8 0.2 1 273 25 ARG NE N 84.4 0.2 1 274 26 TYR H H 7.83 0.02 1 275 26 TYR HA H 4.39 0.02 1 276 26 TYR HB2 H 2.96 0.02 2 277 26 TYR HB3 H 3.07 0.02 2 278 26 TYR HD1 H 7.13 0.02 1 279 26 TYR HD2 H 7.13 0.02 1 280 26 TYR HE1 H 6.82 0.02 1 281 26 TYR HE2 H 6.82 0.02 1 282 26 TYR C C 177.0 0.2 1 283 26 TYR CA C 59.2 0.2 1 284 26 TYR CB C 38.0 0.2 1 285 26 TYR CD1 C 133.1 0.02 1 286 26 TYR CD2 C 133.1 0.02 1 287 26 TYR CE1 C 118.2 0.02 1 288 26 TYR CE2 C 118.2 0.02 1 289 26 TYR N N 118.5 0.2 1 290 27 GLY H H 8.21 0.02 1 291 27 GLY HA2 H 3.96 0.02 1 292 27 GLY HA3 H 3.96 0.02 1 293 27 GLY C C 174.3 0.2 1 294 27 GLY CA C 45.5 0.2 1 295 27 GLY N N 108.5 0.2 1 296 28 CYS H H 8.10 0.02 1 297 28 CYS HA H 4.90 0.02 1 298 28 CYS HB2 H 2.85 0.02 2 299 28 CYS HB3 H 2.96 0.02 2 300 28 CYS CA C 56.4 0.2 1 301 28 CYS CB C 27.8 0.2 1 302 28 CYS N N 118.9 0.2 1 303 29 PRO HA H 4.25 0.02 1 304 29 PRO HB2 H 1.69 0.02 2 305 29 PRO HB3 H 2.32 0.02 2 306 29 PRO HG2 H 1.73 0.02 2 307 29 PRO HG3 H 1.96 0.02 2 308 29 PRO HD2 H 3.51 0.02 2 309 29 PRO HD3 H 3.61 0.02 2 310 29 PRO C C 178.0 0.2 1 311 29 PRO CA C 64.4 0.2 1 312 29 PRO CB C 31.8 0.2 1 313 29 PRO CG C 27.1 0.2 1 314 29 PRO CD C 50.5 0.2 1 315 30 HIS H H 8.61 0.02 1 316 30 HIS HA H 4.63 0.02 1 317 30 HIS HB2 H 3.18 0.02 1 318 30 HIS HB3 H 3.18 0.02 1 319 30 HIS HD2 H 7.19 0.02 1 320 30 HIS C C 174.4 0.2 1 321 30 HIS CA C 55.6 0.2 1 322 30 HIS CB C 28.5 0.2 1 323 30 HIS CD2 C 119.8 0.2 1 324 30 HIS N N 115.8 0.2 1 325 31 HIS H H 8.24 0.02 1 326 31 HIS HA H 4.42 0.02 1 327 31 HIS HB2 H 3.18 0.02 2 328 31 HIS HB3 H 3.25 0.02 2 329 31 HIS HD2 H 7.17 0.02 1 330 31 HIS C C 174.6 0.2 1 331 31 HIS CA C 56.7 0.2 1 332 31 HIS CB C 30.5 0.2 1 333 31 HIS CD2 C 119.1 0.2 1 334 31 HIS N N 118.2 0.2 1 335 32 VAL H H 7.52 0.02 1 336 32 VAL HA H 3.59 0.02 1 337 32 VAL HB H 1.93 0.02 1 338 32 VAL HG1 H 0.84 0.02 1 339 32 VAL HG2 H 0.91 0.02 1 340 32 VAL C C 176.8 0.2 1 341 32 VAL CA C 64.0 0.2 1 342 32 VAL CB C 32.1 0.2 1 343 32 VAL CG1 C 21.0 0.02 1 344 32 VAL CG2 C 21.2 0.02 1 345 32 VAL N N 120.4 0.2 1 346 33 GLY H H 8.92 0.02 1 347 33 GLY HA2 H 3.87 0.02 2 348 33 GLY HA3 H 4.13 0.02 2 349 33 GLY C C 174.2 0.2 1 350 33 GLY CA C 45.0 0.2 1 351 33 GLY N N 115.4 0.2 1 352 34 ARG H H 8.20 0.02 1 353 34 ARG HA H 4.35 0.02 1 354 34 ARG HB2 H 1.84 0.02 2 355 34 ARG HB3 H 1.90 0.02 2 356 34 ARG HG2 H 1.61 0.02 2 357 34 ARG HG3 H 1.67 0.02 2 358 34 ARG HD2 H 3.03 0.02 1 359 34 ARG HD3 H 3.03 0.02 1 360 34 ARG HE H 7.22 0.02 1 361 34 ARG C C 175.1 0.2 1 362 34 ARG CA C 56.6 0.2 1 363 34 ARG CB C 31.9 0.2 1 364 34 ARG CG C 27.4 0.2 1 365 34 ARG CD C 44.0 0.2 1 366 34 ARG N N 120.1 0.2 1 367 34 ARG NE N 83.9 0.2 1 368 35 LYS H H 8.53 0.02 1 369 35 LYS HA H 5.05 0.02 1 370 35 LYS HB2 H 1.67 0.02 2 371 35 LYS HB3 H 1.78 0.02 2 372 35 LYS HG2 H 1.32 0.02 2 373 35 LYS HG3 H 1.48 0.02 2 374 35 LYS HD2 H 1.58 0.02 1 375 35 LYS HD3 H 1.58 0.02 1 376 35 LYS HE2 H 2.90 0.02 1 377 35 LYS HE3 H 2.90 0.02 1 378 35 LYS C C 176.4 0.2 1 379 35 LYS CA C 54.9 0.2 1 380 35 LYS CB C 34.8 0.2 1 381 35 LYS CG C 25.7 0.2 1 382 35 LYS CD C 29.2 0.2 1 383 35 LYS CE C 42.0 0.2 1 384 35 LYS N N 120.2 0.2 1 385 36 GLY H H 8.84 0.02 1 386 36 GLY HA2 H 3.55 0.02 2 387 36 GLY HA3 H 4.52 0.02 2 388 36 GLY C C 171.9 0.2 1 389 36 GLY CA C 46.0 0.2 1 390 36 GLY N N 106.6 0.2 1 391 37 LYS H H 8.56 0.02 1 392 37 LYS HA H 5.19 0.02 1 393 37 LYS HB2 H 1.47 0.02 1 394 37 LYS HB3 H 1.47 0.02 1 395 37 LYS HG2 H 1.12 0.02 2 396 37 LYS HG3 H 1.16 0.02 2 397 37 LYS HD2 H 1.54 0.02 1 398 37 LYS HD3 H 1.54 0.02 1 399 37 LYS HE2 H 2.84 0.02 1 400 37 LYS HE3 H 2.84 0.02 1 401 37 LYS C C 175.7 0.2 1 402 37 LYS CA C 54.2 0.2 1 403 37 LYS CB C 36.1 0.2 1 404 37 LYS CG C 24.5 0.2 1 405 37 LYS CD C 29.4 0.2 1 406 37 LYS CE C 41.9 0.2 1 407 37 LYS N N 120.3 0.2 1 408 38 ILE H H 8.37 0.02 1 409 38 ILE HA H 4.09 0.02 1 410 38 ILE HB H 1.98 0.02 1 411 38 ILE HG12 H 0.79 0.02 2 412 38 ILE HG13 H 1.52 0.02 2 413 38 ILE HG2 H 1.00 0.02 1 414 38 ILE HD1 H 0.32 0.02 1 415 38 ILE C C 177.2 0.2 1 416 38 ILE CA C 62.5 0.2 1 417 38 ILE CB C 37.9 0.2 1 418 38 ILE CG1 C 27.9 0.2 1 419 38 ILE CG2 C 19.4 0.2 1 420 38 ILE CD1 C 14.0 0.2 1 421 38 ILE N N 122.9 0.2 1 422 39 ILE H H 9.18 0.02 1 423 39 ILE HA H 4.68 0.02 1 424 39 ILE HB H 1.99 0.02 1 425 39 ILE HG12 H 0.94 0.02 2 426 39 ILE HG13 H 1.28 0.02 2 427 39 ILE HG2 H 0.89 0.02 1 428 39 ILE HD1 H 0.83 0.02 1 429 39 ILE C C 175.5 0.2 1 430 39 ILE CA C 61.0 0.2 1 431 39 ILE CB C 40.0 0.2 1 432 39 ILE CG1 C 26.9 0.2 1 433 39 ILE CG2 C 18.2 0.2 1 434 39 ILE CD1 C 13.9 0.2 1 435 39 ILE N N 123.6 0.2 1 436 40 GLU H H 7.57 0.02 1 437 40 GLU HA H 4.36 0.02 1 438 40 GLU HB2 H 1.78 0.02 2 439 40 GLU HB3 H 1.94 0.02 2 440 40 GLU HG2 H 2.07 0.02 2 441 40 GLU HG3 H 2.16 0.02 2 442 40 GLU C C 175.5 0.2 1 443 40 GLU CA C 56.5 0.2 1 444 40 GLU CB C 34.8 0.2 1 445 40 GLU CG C 36.0 0.2 1 446 40 GLU N N 119.0 0.2 1 447 41 HIS H H 8.98 0.02 1 448 41 HIS HA H 4.43 0.02 1 449 41 HIS HB2 H 0.72 0.02 2 450 41 HIS HB3 H 2.34 0.02 2 451 41 HIS HD2 H 6.54 0.02 1 452 41 HIS HE1 H 8.51 0.02 1 453 41 HIS C C 173.2 0.2 1 454 41 HIS CA C 52.9 0.2 1 455 41 HIS CB C 28.1 0.2 1 456 41 HIS CD2 C 114.5 0.2 1 457 41 HIS CE1 C 137.7 0.2 1 458 41 HIS N N 124.6 0.2 1 459 42 LEU H H 8.14 0.02 1 460 42 LEU HA H 4.49 0.02 1 461 42 LEU HB2 H 1.20 0.02 2 462 42 LEU HB3 H 1.26 0.02 2 463 42 LEU HG H 1.15 0.02 1 464 42 LEU HD1 H 0.18 0.02 1 465 42 LEU HD2 H 0.46 0.02 1 466 42 LEU CA C 54.0 0.2 1 467 42 LEU CB C 42.9 0.2 1 468 42 LEU CG C 26.7 0.2 1 469 42 LEU CD1 C 26.1 0.02 1 470 42 LEU CD2 C 21.9 0.02 1 471 42 LEU N N 122.6 0.2 1 472 43 HIS HA H 4.79 0.02 1 473 43 HIS HB2 H 3.14 0.02 2 474 43 HIS HB3 H 3.39 0.02 2 475 43 HIS HD2 H 7.28 0.02 1 476 43 HIS C C 173.5 0.2 1 477 43 HIS CA C 55.7 0.2 1 478 43 HIS CB C 28.8 0.2 1 479 43 HIS CD2 C 119.8 0.2 1 480 44 SER H H 7.38 0.02 1 481 44 SER HA H 4.55 0.02 1 482 44 SER HB2 H 3.94 0.02 2 483 44 SER HB3 H 4.05 0.02 2 484 44 SER C C 173.4 0.2 1 485 44 SER CA C 56.6 0.2 1 486 44 SER CB C 64.1 0.2 1 487 44 SER N N 114.9 0.2 1 488 45 ALA H H 8.85 0.02 1 489 45 ALA HA H 4.20 0.02 1 490 45 ALA HB H 1.38 0.02 1 491 45 ALA C C 178.5 0.2 1 492 45 ALA CA C 53.8 0.2 1 493 45 ALA CB C 18.9 0.2 1 494 45 ALA N N 125.6 0.2 1 495 46 THR H H 7.98 0.02 1 496 46 THR HA H 3.88 0.02 1 497 46 THR HB H 3.42 0.02 1 498 46 THR HG2 H 0.56 0.02 1 499 46 THR C C 172.7 0.2 1 500 46 THR CA C 63.3 0.2 1 501 46 THR CB C 69.9 0.2 1 502 46 THR CG2 C 22.0 0.2 1 503 46 THR N N 110.2 0.2 1 504 47 TYR H H 7.23 0.02 1 505 47 TYR HA H 4.45 0.02 1 506 47 TYR HB2 H 2.27 0.02 2 507 47 TYR HB3 H 2.89 0.02 2 508 47 TYR HD1 H 6.77 0.02 1 509 47 TYR HD2 H 6.77 0.02 1 510 47 TYR HE1 H 6.76 0.02 1 511 47 TYR HE2 H 6.76 0.02 1 512 47 TYR C C 172.6 0.2 1 513 47 TYR CA C 56.4 0.2 1 514 47 TYR CB C 43.1 0.2 1 515 47 TYR CD1 C 133.6 0.02 1 516 47 TYR CD2 C 133.6 0.02 1 517 47 TYR CE1 C 118.5 0.02 1 518 47 TYR CE2 C 118.5 0.02 1 519 47 TYR N N 115.8 0.2 1 520 48 ASP H H 8.28 0.02 1 521 48 ASP HA H 4.95 0.02 1 522 48 ASP HB2 H 2.43 0.02 2 523 48 ASP HB3 H 2.54 0.02 2 524 48 ASP C C 175.9 0.2 1 525 48 ASP CA C 55.7 0.2 1 526 48 ASP CB C 46.6 0.2 1 527 48 ASP N N 115.3 0.2 1 528 49 TYR H H 8.69 0.02 1 529 49 TYR HA H 5.56 0.02 1 530 49 TYR HB2 H 2.50 0.02 2 531 49 TYR HB3 H 3.17 0.02 2 532 49 TYR HD1 H 7.14 0.02 1 533 49 TYR HD2 H 7.14 0.02 1 534 49 TYR HE1 H 6.54 0.02 1 535 49 TYR HE2 H 6.54 0.02 1 536 49 TYR C C 174.5 0.2 1 537 49 TYR CA C 56.8 0.2 1 538 49 TYR CB C 44.7 0.2 1 539 49 TYR CD1 C 134.1 0.02 1 540 49 TYR CD2 C 134.1 0.02 1 541 49 TYR CE1 C 114.5 0.02 1 542 49 TYR CE2 C 114.5 0.02 1 543 49 TYR N N 115.5 0.2 1 544 50 ALA H H 8.42 0.02 1 545 50 ALA HA H 5.25 0.02 1 546 50 ALA HB H 1.39 0.02 1 547 50 ALA C C 176.5 0.2 1 548 50 ALA CA C 51.3 0.2 1 549 50 ALA CB C 21.7 0.2 1 550 50 ALA N N 122.9 0.2 1 551 51 VAL H H 9.26 0.02 1 552 51 VAL HA H 4.86 0.02 1 553 51 VAL HB H 2.16 0.02 1 554 51 VAL HG1 H 0.53 0.02 1 555 51 VAL HG2 H 0.84 0.02 1 556 51 VAL C C 174.3 0.2 1 557 51 VAL CA C 60.5 0.2 1 558 51 VAL CB C 35.9 0.2 1 559 51 VAL CG1 C 20.3 0.02 1 560 51 VAL CG2 C 23.7 0.02 1 561 51 VAL N N 125.6 0.2 1 562 52 SER H H 8.70 0.02 1 563 52 SER HA H 5.36 0.02 1 564 52 SER HB2 H 3.69 0.02 1 565 52 SER HB3 H 3.69 0.02 1 566 52 SER C C 175.2 0.2 1 567 52 SER CA C 55.4 0.2 1 568 52 SER CB C 65.0 0.2 1 569 52 SER N N 121.2 0.2 1 570 53 ASP H H 8.65 0.02 1 571 53 ASP HA H 5.26 0.02 1 572 53 ASP HB2 H 2.61 0.02 2 573 53 ASP HB3 H 3.29 0.02 2 574 53 ASP C C 178.5 0.2 1 575 53 ASP CA C 52.8 0.2 1 576 53 ASP CB C 42.8 0.2 1 577 53 ASP N N 126.1 0.2 1 578 54 GLU H H 8.87 0.02 1 579 54 GLU HA H 4.14 0.02 1 580 54 GLU HB2 H 2.11 0.02 1 581 54 GLU HB3 H 2.11 0.02 1 582 54 GLU HG2 H 2.27 0.02 1 583 54 GLU HG3 H 2.27 0.02 1 584 54 GLU C C 177.2 0.2 1 585 54 GLU CA C 58.7 0.2 1 586 54 GLU CB C 29.6 0.2 1 587 54 GLU CG C 36.4 0.2 1 588 54 GLU N N 117.3 0.2 1 589 55 THR H H 8.77 0.02 1 590 55 THR HA H 4.44 0.02 1 591 55 THR HB H 4.32 0.02 1 592 55 THR HG2 H 1.11 0.02 1 593 55 THR C C 175.5 0.2 1 594 55 THR CA C 62.2 0.2 1 595 55 THR CB C 69.9 0.2 1 596 55 THR CG2 C 21.7 0.2 1 597 55 THR N N 111.8 0.2 1 598 56 GLY H H 8.21 0.02 1 599 56 GLY HA2 H 3.58 0.02 2 600 56 GLY HA3 H 4.32 0.02 2 601 56 GLY C C 173.9 0.2 1 602 56 GLY CA C 44.7 0.2 1 603 56 GLY N N 110.4 0.2 1 604 57 ASP H H 7.66 0.02 1 605 57 ASP HA H 4.54 0.02 1 606 57 ASP HB2 H 2.59 0.02 2 607 57 ASP HB3 H 2.61 0.02 2 608 57 ASP C C 175.6 0.2 1 609 57 ASP CA C 54.6 0.2 1 610 57 ASP CB C 41.5 0.2 1 611 57 ASP N N 122.3 0.2 1 612 58 ILE H H 8.24 0.02 1 613 58 ILE HA H 4.94 0.02 1 614 58 ILE HB H 1.58 0.02 1 615 58 ILE HG12 H 0.82 0.02 2 616 58 ILE HG13 H 1.62 0.02 2 617 58 ILE HG2 H 0.67 0.02 1 618 58 ILE HD1 H 0.80 0.02 1 619 58 ILE C C 175.7 0.2 1 620 58 ILE CA C 60.6 0.2 1 621 58 ILE CB C 39.2 0.2 1 622 58 ILE CG1 C 27.8 0.2 1 623 58 ILE CG2 C 17.9 0.2 1 624 58 ILE CD1 C 13.2 0.2 1 625 58 ILE N N 124.1 0.2 1 626 59 THR H H 8.53 0.02 1 627 59 THR HA H 4.03 0.02 1 628 59 THR HB H 3.73 0.02 1 629 59 THR HG2 H 0.60 0.02 1 630 59 THR C C 171.9 0.2 1 631 59 THR CA C 60.6 0.2 1 632 59 THR CB C 70.7 0.2 1 633 59 THR CG2 C 22.3 0.2 1 634 59 THR N N 122.9 0.2 1 635 60 TYR H H 7.61 0.02 1 636 60 TYR HA H 5.45 0.02 1 637 60 TYR HB2 H 1.57 0.02 2 638 60 TYR HB3 H 1.95 0.02 2 639 60 TYR HD1 H 6.51 0.02 1 640 60 TYR HD2 H 6.51 0.02 1 641 60 TYR HE1 H 6.60 0.02 1 642 60 TYR HE2 H 6.60 0.02 1 643 60 TYR C C 174.5 0.2 1 644 60 TYR CA C 53.8 0.2 1 645 60 TYR CB C 37.0 0.2 1 646 60 TYR CD1 C 131.2 0.02 1 647 60 TYR CD2 C 131.2 0.02 1 648 60 TYR CE1 C 117.8 0.02 1 649 60 TYR CE2 C 117.8 0.02 1 650 60 TYR N N 123.6 0.2 1 651 61 PHE H H 8.91 0.02 1 652 61 PHE HA H 5.21 0.02 1 653 61 PHE HB2 H 2.35 0.02 2 654 61 PHE HB3 H 3.68 0.02 2 655 61 PHE HD1 H 7.13 0.02 1 656 61 PHE HD2 H 7.13 0.02 1 657 61 PHE HE1 H 7.08 0.02 1 658 61 PHE HE2 H 7.08 0.02 1 659 61 PHE HZ H 6.91 0.02 1 660 61 PHE C C 177.7 0.2 1 661 61 PHE CA C 58.1 0.2 1 662 61 PHE CB C 46.3 0.2 1 663 61 PHE CD1 C 131.6 0.02 1 664 61 PHE CD2 C 131.6 0.02 1 665 61 PHE CE1 C 131.2 0.02 1 666 61 PHE CE2 C 131.2 0.02 1 667 61 PHE CZ C 129.8 0.2 1 668 61 PHE N N 115.2 0.2 1 669 62 LYS H H 10.09 0.02 1 670 62 LYS HA H 4.75 0.02 1 671 62 LYS HB2 H 1.56 0.02 2 672 62 LYS HB3 H 2.16 0.02 2 673 62 LYS HG2 H 1.61 0.02 2 674 62 LYS HG3 H 1.72 0.02 2 675 62 LYS HD2 H 1.71 0.02 2 676 62 LYS HD3 H 1.76 0.02 2 677 62 LYS HE2 H 2.95 0.02 2 678 62 LYS HE3 H 3.00 0.02 2 679 62 LYS C C 178.1 0.2 1 680 62 LYS CA C 56.2 0.2 1 681 62 LYS CB C 34.7 0.2 1 682 62 LYS CG C 26.2 0.2 1 683 62 LYS CD C 29.6 0.2 1 684 62 LYS CE C 42.0 0.2 1 685 62 LYS N N 124.9 0.2 1 686 63 GLU H H 10.67 0.02 1 687 63 GLU HA H 4.17 0.02 1 688 63 GLU HB2 H 2.40 0.02 1 689 63 GLU HB3 H 2.40 0.02 1 690 63 GLU HG2 H 2.25 0.02 2 691 63 GLU HG3 H 2.31 0.02 2 692 63 GLU C C 177.8 0.2 1 693 63 GLU CA C 61.9 0.2 1 694 63 GLU CB C 30.7 0.2 1 695 63 GLU CG C 37.7 0.2 1 696 63 GLU N N 123.9 0.2 1 697 64 HIS H H 8.59 0.02 1 698 64 HIS HA H 4.72 0.02 1 699 64 HIS HB2 H 3.18 0.02 2 700 64 HIS HB3 H 3.42 0.02 2 701 64 HIS HD2 H 7.10 0.02 1 702 64 HIS HE1 H 8.11 0.02 1 703 64 HIS C C 176.1 0.2 1 704 64 HIS CA C 57.8 0.2 1 705 64 HIS CB C 28.8 0.2 1 706 64 HIS CD2 C 119.4 0.2 1 707 64 HIS CE1 C 138.0 0.2 1 708 64 HIS N N 111.4 0.2 1 709 65 GLU H H 7.75 0.02 1 710 65 GLU HA H 4.32 0.02 1 711 65 GLU HB2 H 2.32 0.02 2 712 65 GLU HB3 H 2.57 0.02 2 713 65 GLU HG2 H 1.77 0.02 2 714 65 GLU HG3 H 1.92 0.02 2 715 65 GLU C C 173.5 0.2 1 716 65 GLU CA C 56.8 0.2 1 717 65 GLU CB C 30.5 0.2 1 718 65 GLU CG C 38.2 0.2 1 719 65 GLU N N 119.5 0.2 1 720 66 LEU H H 7.57 0.02 1 721 66 LEU HA H 4.94 0.02 1 722 66 LEU HB2 H 0.66 0.02 2 723 66 LEU HB3 H 1.83 0.02 2 724 66 LEU HG H 1.63 0.02 1 725 66 LEU HD1 H 0.48 0.02 1 726 66 LEU HD2 H 0.12 0.02 1 727 66 LEU C C 175.8 0.2 1 728 66 LEU CA C 52.4 0.2 1 729 66 LEU CB C 45.3 0.2 1 730 66 LEU CG C 26.2 0.2 1 731 66 LEU CD1 C 26.7 0.02 1 732 66 LEU CD2 C 23.1 0.02 1 733 66 LEU N N 116.9 0.2 1 734 67 THR H H 8.70 0.02 1 735 67 THR HA H 4.82 0.02 1 736 67 THR HB H 3.87 0.02 1 737 67 THR HG2 H 1.23 0.02 1 738 67 THR CA C 58.8 0.2 1 739 67 THR CB C 72.4 0.2 1 740 67 THR CG2 C 21.6 0.2 1 741 67 THR N N 117.2 0.2 1 742 68 PRO HA H 4.14 0.02 1 743 68 PRO HB2 H 1.76 0.02 2 744 68 PRO HB3 H 1.98 0.02 2 745 68 PRO HG2 H 1.25 0.02 2 746 68 PRO HG3 H 2.02 0.02 2 747 68 PRO HD2 H 3.65 0.02 1 748 68 PRO HD3 H 3.65 0.02 1 749 68 PRO C C 176.1 0.2 1 750 68 PRO CA C 63.1 0.2 1 751 68 PRO CB C 32.4 0.2 1 752 68 PRO CG C 28.3 0.2 1 753 68 PRO CD C 51.0 0.2 1 754 69 LEU H H 8.04 0.02 1 755 69 LEU HA H 4.23 0.02 1 756 69 LEU HB2 H 1.24 0.02 2 757 69 LEU HB3 H 1.38 0.02 2 758 69 LEU HG H 1.34 0.02 1 759 69 LEU HD1 H 0.74 0.02 1 760 69 LEU HD2 H 0.73 0.02 1 761 69 LEU C C 177.2 0.2 1 762 69 LEU CA C 54.8 0.2 1 763 69 LEU CB C 42.2 0.2 1 764 69 LEU CG C 26.8 0.2 1 765 69 LEU CD1 C 25.3 0.02 1 766 69 LEU CD2 C 24.0 0.02 1 767 69 LEU N N 124.3 0.2 1 768 70 LYS H H 8.48 0.02 1 769 70 LYS HA H 4.23 0.02 1 770 70 LYS HB2 H 1.70 0.02 2 771 70 LYS HB3 H 1.75 0.02 2 772 70 LYS HG2 H 1.33 0.02 2 773 70 LYS HG3 H 1.40 0.02 2 774 70 LYS HD2 H 1.62 0.02 1 775 70 LYS HD3 H 1.62 0.02 1 776 70 LYS HE2 H 2.93 0.02 1 777 70 LYS HE3 H 2.93 0.02 1 778 70 LYS C C 176.9 0.2 1 779 70 LYS CA C 56.6 0.2 1 780 70 LYS CB C 32.9 0.2 1 781 70 LYS CG C 24.9 0.2 1 782 70 LYS CD C 29.1 0.2 1 783 70 LYS CE C 42.0 0.2 1 784 70 LYS N N 123.1 0.2 1 785 71 GLY H H 8.48 0.02 1 786 71 GLY HA2 H 3.87 0.02 2 787 71 GLY HA3 H 3.97 0.02 2 788 71 GLY C C 174.8 0.2 1 789 71 GLY CA C 45.4 0.2 1 790 71 GLY N N 110.7 0.2 1 791 72 GLY H H 8.26 0.02 1 792 72 GLY HA2 H 3.93 0.02 1 793 72 GLY HA3 H 3.93 0.02 1 794 72 GLY C C 174.3 0.2 1 795 72 GLY CA C 45.2 0.2 1 796 72 GLY N N 108.4 0.2 1 797 73 LEU H H 8.16 0.02 1 798 73 LEU HA H 4.24 0.02 1 799 73 LEU HB2 H 1.48 0.02 2 800 73 LEU HB3 H 1.57 0.02 2 801 73 LEU HG H 1.57 0.02 1 802 73 LEU HD1 H 0.86 0.02 1 803 73 LEU HD2 H 0.81 0.02 1 804 73 LEU C C 177.2 0.2 1 805 73 LEU CA C 55.5 0.2 1 806 73 LEU CB C 42.2 0.2 1 807 73 LEU CG C 26.9 0.2 1 808 73 LEU CD1 C 24.9 0.02 1 809 73 LEU CD2 C 23.6 0.02 1 810 73 LEU N N 121.6 0.2 1 811 74 ALA H H 8.21 0.02 1 812 74 ALA HA H 4.18 0.02 1 813 74 ALA HB H 1.28 0.02 1 814 74 ALA C C 177.7 0.2 1 815 74 ALA CA C 53.1 0.2 1 816 74 ALA CB C 18.9 0.2 1 817 74 ALA N N 123.1 0.2 1 818 75 TYR H H 7.89 0.02 1 819 75 TYR HA H 4.47 0.02 1 820 75 TYR HB2 H 2.94 0.02 2 821 75 TYR HB3 H 2.99 0.02 2 822 75 TYR HD1 H 7.02 0.02 1 823 75 TYR HD2 H 7.02 0.02 1 824 75 TYR HE1 H 6.71 0.02 1 825 75 TYR HE2 H 6.71 0.02 1 826 75 TYR C C 175.9 0.2 1 827 75 TYR CA C 58.4 0.2 1 828 75 TYR CB C 38.7 0.2 1 829 75 TYR CD1 C 133.2 0.02 1 830 75 TYR CD2 C 133.2 0.02 1 831 75 TYR CE1 C 118.2 0.02 1 832 75 TYR CE2 C 118.2 0.02 1 833 75 TYR N N 118.5 0.2 1 834 76 VAL H H 7.89 0.02 1 835 76 VAL HA H 3.92 0.02 1 836 76 VAL HB H 1.99 0.02 1 837 76 VAL HG1 H 0.85 0.02 2 838 76 VAL HG2 H 0.89 0.02 2 839 76 VAL C C 176.1 0.2 1 840 76 VAL CA C 62.8 0.2 1 841 76 VAL CB C 32.7 0.2 1 842 76 VAL CG1 C 21.0 0.02 1 843 76 VAL CG2 C 21.0 0.02 1 844 76 VAL N N 121.4 0.2 1 845 77 LEU H H 8.14 0.02 1 846 77 LEU HA H 4.19 0.02 1 847 77 LEU HB2 H 1.47 0.02 2 848 77 LEU HB3 H 1.57 0.02 2 849 77 LEU HG H 1.58 0.02 1 850 77 LEU HD1 H 0.84 0.02 2 851 77 LEU HD2 H 0.82 0.02 2 852 77 LEU C C 177.3 0.2 1 853 77 LEU CA C 55.5 0.2 1 854 77 LEU CB C 42.2 0.2 1 855 77 LEU CG C 27.2 0.2 1 856 77 LEU CD1 C 25.0 0.02 2 857 77 LEU CD2 C 23.6 0.02 2 858 77 LEU N N 124.5 0.2 1 859 78 GLU H H 8.16 0.02 1 860 78 GLU HA H 4.12 0.02 1 861 78 GLU HB2 H 1.83 0.02 1 862 78 GLU HB3 H 1.83 0.02 1 863 78 GLU HG2 H 2.09 0.02 2 864 78 GLU HG3 H 2.16 0.02 2 865 78 GLU C C 176.2 0.2 1 866 78 GLU CA C 56.5 0.2 1 867 78 GLU CB C 30.2 0.2 1 868 78 GLU CG C 36.0 0.2 1 869 78 GLU N N 121.0 0.2 1 870 79 HIS H H 8.31 0.02 1 871 79 HIS HA H 4.51 0.02 1 872 79 HIS HB2 H 2.92 0.02 2 873 79 HIS HB3 H 3.07 0.02 2 874 79 HIS HD2 H 7.03 0.02 1 875 79 HIS C C 174.5 0.2 1 876 79 HIS CA C 55.6 0.2 1 877 79 HIS CB C 29.3 0.2 1 878 79 HIS CD2 C 119.8 0.2 1 879 79 HIS N N 118.8 0.2 1 880 80 HIS H H 8.36 0.02 1 881 80 HIS HA H 4.53 0.02 1 882 80 HIS HB2 H 3.04 0.02 2 883 80 HIS HB3 H 3.12 0.02 2 884 80 HIS HD2 H 7.10 0.02 1 885 80 HIS C C 174.3 0.2 1 886 80 HIS CA C 55.4 0.2 1 887 80 HIS CB C 29.4 0.2 1 888 80 HIS CD2 C 119.9 0.2 1 889 80 HIS N N 119.2 0.2 1 890 81 HIS H H 8.52 0.02 1 891 81 HIS HA H 4.56 0.02 1 892 81 HIS HB2 H 3.02 0.02 2 893 81 HIS HB3 H 3.09 0.02 2 894 81 HIS HD2 H 7.16 0.02 1 895 81 HIS C C 174.3 0.2 1 896 81 HIS CA C 55.5 0.2 1 897 81 HIS CB C 29.6 0.2 1 898 81 HIS CD2 C 119.6 0.2 1 899 81 HIS N N 120.5 0.2 1 900 82 HIS H H 8.48 0.02 1 901 82 HIS HA H 4.59 0.02 1 902 82 HIS HB2 H 3.14 0.02 1 903 82 HIS HB3 H 3.14 0.02 1 904 82 HIS HD2 H 7.18 0.02 1 905 82 HIS C C 173.6 0.2 1 906 82 HIS CA C 55.4 0.2 1 907 82 HIS CB C 29.5 0.2 1 908 82 HIS CD2 C 120.2 0.2 1 909 82 HIS N N 119.7 0.2 1 910 83 HIS H H 8.31 0.02 1 911 83 HIS HA H 4.40 0.02 1 912 83 HIS HB2 H 3.06 0.02 2 913 83 HIS HB3 H 3.17 0.02 2 914 83 HIS CA C 57.1 0.2 1 915 83 HIS CB C 29.8 0.2 1 916 83 HIS N N 125.4 0.2 1 stop_ save_