data_nef_c30094_5jzr save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5JZR stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ALA middle . . 3 A 3 ASN middle . . 4 A 4 LYS middle . . 5 A 5 PRO middle . false 6 A 6 MET middle . . 7 A 7 GLN middle . . 8 A 8 PRO middle . false 9 A 9 ILE middle . . 10 A 10 THR middle . . 11 A 11 SER middle . . 12 A 12 THR middle . . 13 A 13 ALA middle . . 14 A 14 ASN middle . . 15 A 15 LYS middle . . 16 A 16 ILE middle . . 17 A 17 VAL middle . . 18 A 18 TRP middle . . 19 A 19 SER middle . . 20 A 20 ASP middle . . 21 A 21 PRO middle . false 22 A 22 THR middle . . 23 A 23 ARG middle . . 24 A 24 LEU middle . . 25 A 25 SER middle . . 26 A 26 THR middle . . 27 A 27 THR middle . . 28 A 28 PHE middle . . 29 A 29 SER middle . . 30 A 30 ALA middle . . 31 A 31 SER middle . . 32 A 32 LEU middle . . 33 A 33 LEU middle . . 34 A 34 ARG middle . . 35 A 35 GLN middle . . 36 A 36 ARG middle . . 37 A 37 VAL middle . . 38 A 38 LYS middle . . 39 A 39 VAL middle . . 40 A 40 GLY middle . false 41 A 41 ILE middle . . 42 A 42 ALA middle . . 43 A 43 GLU middle . . 44 A 44 LEU middle . . 45 A 45 ASN middle . . 46 A 46 ASN middle . . 47 A 47 VAL middle . . 48 A 48 SER middle . . 49 A 49 GLY middle . false 50 A 50 GLN middle . . 51 A 51 TYR middle . . 52 A 52 VAL middle . . 53 A 53 SER middle . . 54 A 54 VAL middle . . 55 A 55 TYR middle . . 56 A 56 LYS middle . . 57 A 57 ARG middle . . 58 A 58 PRO middle . false 59 A 59 ALA middle . . 60 A 60 PRO middle . false 61 A 61 LYS middle . . 62 A 62 PRO middle . false 63 A 63 GLU middle . . 64 A 64 GLY middle . false 65 A 65 CYS middle . . 66 A 66 ALA middle . . 67 A 67 ASP middle . . 68 A 68 ALA middle . . 69 A 69 CYS middle . . 70 A 70 VAL middle . . 71 A 71 ILE middle . . 72 A 72 MET middle . . 73 A 73 PRO middle . false 74 A 74 ASN middle . . 75 A 75 GLU middle . . 76 A 76 ASN middle . . 77 A 77 GLN middle . . 78 A 78 SER middle . . 79 A 79 ILE middle . . 80 A 80 ARG middle . . 81 A 81 THR middle . . 82 A 82 VAL middle . . 83 A 83 ILE middle . . 84 A 84 SER middle . . 85 A 85 GLY middle . false 86 A 86 SER middle . . 87 A 87 ALA middle . . 88 A 88 GLU middle . . 89 A 89 ASN middle . . 90 A 90 LEU middle . . 91 A 91 ALA middle . . 92 A 92 THR middle . . 93 A 93 LEU middle . . 94 A 94 LYS middle . . 95 A 95 ALA middle . . 96 A 96 GLU middle . . 97 A 97 TRP middle . . 98 A 98 GLU middle . . 99 A 99 THR middle . . 100 A 100 HIS middle . . 101 A 101 LYS middle . . 102 A 102 ARG middle . . 103 A 103 ASN middle . . 104 A 104 VAL middle . . 105 A 105 ASP middle . . 106 A 106 THR middle . . 107 A 107 LEU middle . . 108 A 108 PHE middle . . 109 A 109 ALA middle . . 110 A 110 SER middle . . 111 A 111 GLY middle . false 112 A 112 ASN middle . . 113 A 113 ALA middle . . 114 A 114 GLY middle . false 115 A 115 LEU middle . . 116 A 116 GLY middle . false 117 A 117 PHE middle . . 118 A 118 LEU middle . . 119 A 119 ASP middle . . 120 A 120 PRO middle . false 121 A 121 THR middle . . 122 A 122 ALA middle . . 123 A 123 ALA middle . . 124 A 124 ILE middle . . 125 A 125 VAL middle . . 126 A 126 SER middle . . 127 A 127 SER middle . . 128 A 128 ASP middle . . 129 A 129 THR middle . . 130 A 130 THR middle . . 131 A 131 ALA end . . 132 B 201 MET start . . 133 B 202 ALA middle . . 134 B 203 ASN middle . . 135 B 204 LYS middle . . 136 B 205 PRO middle . false 137 B 206 MET middle . . 138 B 207 GLN middle . . 139 B 208 PRO middle . false 140 B 209 ILE middle . . 141 B 210 THR middle . . 142 B 211 SER middle . . 143 B 212 THR middle . . 144 B 213 ALA middle . . 145 B 214 ASN middle . . 146 B 215 LYS middle . . 147 B 216 ILE middle . . 148 B 217 VAL middle . . 149 B 218 TRP middle . . 150 B 219 SER middle . . 151 B 220 ASP middle . . 152 B 221 PRO middle . false 153 B 222 THR middle . . 154 B 223 ARG middle . . 155 B 224 LEU middle . . 156 B 225 SER middle . . 157 B 226 THR middle . . 158 B 227 THR middle . . 159 B 228 PHE middle . . 160 B 229 SER middle . . 161 B 230 ALA middle . . 162 B 231 SER middle . . 163 B 232 LEU middle . . 164 B 233 LEU middle . . 165 B 234 ARG middle . . 166 B 235 GLN middle . . 167 B 236 ARG middle . . 168 B 237 VAL middle . . 169 B 238 LYS middle . . 170 B 239 VAL middle . . 171 B 240 GLY middle . false 172 B 241 ILE middle . . 173 B 242 ALA middle . . 174 B 243 GLU middle . . 175 B 244 LEU middle . . 176 B 245 ASN middle . . 177 B 246 ASN middle . . 178 B 247 VAL middle . . 179 B 248 SER middle . . 180 B 249 GLY middle . false 181 B 250 GLN middle . . 182 B 251 TYR middle . . 183 B 252 VAL middle . . 184 B 253 SER middle . . 185 B 254 VAL middle . . 186 B 255 TYR middle . . 187 B 256 LYS middle . . 188 B 257 ARG middle . . 189 B 258 PRO middle . false 190 B 259 ALA middle . . 191 B 260 PRO middle . false 192 B 261 LYS middle . . 193 B 262 PRO middle . false 194 B 263 GLU middle . . 195 B 264 GLY middle . false 196 B 265 CYS middle . . 197 B 266 ALA middle . . 198 B 267 ASP middle . . 199 B 268 ALA middle . . 200 B 269 CYS middle . . 201 B 270 VAL middle . . 202 B 271 ILE middle . . 203 B 272 MET middle . . 204 B 273 PRO middle . false 205 B 274 ASN middle . . 206 B 275 GLU middle . . 207 B 276 ASN middle . . 208 B 277 GLN middle . . 209 B 278 SER middle . . 210 B 279 ILE middle . . 211 B 280 ARG middle . . 212 B 281 THR middle . . 213 B 282 VAL middle . . 214 B 283 ILE middle . . 215 B 284 SER middle . . 216 B 285 GLY middle . false 217 B 286 SER middle . . 218 B 287 ALA middle . . 219 B 288 GLU middle . . 220 B 289 ASN middle . . 221 B 290 LEU middle . . 222 B 291 ALA middle . . 223 B 292 THR middle . . 224 B 293 LEU middle . . 225 B 294 LYS middle . . 226 B 295 ALA middle . . 227 B 296 GLU middle . . 228 B 297 TRP middle . . 229 B 298 GLU middle . . 230 B 299 THR middle . . 231 B 300 HIS middle . . 232 B 301 LYS middle . . 233 B 302 ARG middle . . 234 B 303 ASN middle . . 235 B 304 VAL middle . . 236 B 305 ASP middle . . 237 B 306 THR middle . . 238 B 307 LEU middle . . 239 B 308 PHE middle . . 240 B 309 ALA middle . . 241 B 310 SER middle . . 242 B 311 GLY middle . false 243 B 312 ASN middle . . 244 B 313 ALA middle . . 245 B 314 GLY middle . false 246 B 315 LEU middle . . 247 B 316 GLY middle . false 248 B 317 PHE middle . . 249 B 318 LEU middle . . 250 B 319 ASP middle . . 251 B 320 PRO middle . false 252 B 321 THR middle . . 253 B 322 ALA middle . . 254 B 323 ALA middle . . 255 B 324 ILE middle . . 256 B 325 VAL middle . . 257 B 326 SER middle . . 258 B 327 SER middle . . 259 B 328 ASP middle . . 260 B 329 THR middle . . 261 B 330 THR middle . . 262 B 331 ALA end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 ALA HA H 1 4.832 0.020 A 2 ALA CA C 13 55.136 0.300 A 3 ASN HA H 1 5.007 0.020 A 3 ASN CA C 13 54.883 0.300 A 4 LYS H H 1 8.575 0.000 A 4 LYS HA H 1 4.514 0.013 A 4 LYS HBx H 1 1.758 0.004 A 4 LYS HBy H 1 1.758 0.004 A 4 LYS C C 13 173.738 0.118 A 4 LYS CA C 13 54.929 0.114 A 4 LYS CB C 13 33.213 0.101 A 4 LYS N N 15 122.522 0.101 A 5 PRO HA H 1 4.501 0.007 A 5 PRO HBy H 1 2.239 0.002 A 5 PRO HBx H 1 1.820 0.000 A 5 PRO HDx H 1 3.760 0.000 A 5 PRO HDy H 1 3.760 0.000 A 5 PRO HGx H 1 1.963 0.009 A 5 PRO HGy H 1 1.963 0.009 A 5 PRO C C 13 176.803 0.002 A 5 PRO CA C 13 62.808 0.049 A 5 PRO CB C 13 32.588 0.071 A 5 PRO CD C 13 50.425 0.028 A 5 PRO CG C 13 26.844 0.044 A 6 MET H H 1 8.083 0.000 A 6 MET HA H 1 4.765 0.026 A 6 MET C C 13 174.445 0.050 A 6 MET CA C 13 54.861 0.123 A 6 MET CB C 13 36.862 0.000 A 6 MET CG C 13 32.137 0.000 A 6 MET N N 15 118.429 0.046 A 7 GLN H H 1 8.773 0.020 A 7 GLN HA H 1 5.331 0.004 A 7 GLN C C 13 173.991 0.009 A 7 GLN CA C 13 52.654 0.098 A 7 GLN CB C 13 31.579 0.000 A 7 GLN N N 15 117.460 0.009 A 8 PRO HA H 1 4.303 0.019 A 8 PRO HBy H 1 2.276 0.015 A 8 PRO HBx H 1 1.762 0.008 A 8 PRO HDx H 1 3.398 0.015 A 8 PRO HDy H 1 3.398 0.015 A 8 PRO HGx H 1 1.888 0.001 A 8 PRO HGy H 1 1.888 0.001 A 8 PRO C C 13 176.568 0.000 A 8 PRO CA C 13 63.010 0.084 A 8 PRO CB C 13 31.940 0.032 A 8 PRO CD C 13 49.420 0.032 A 8 PRO CG C 13 27.560 0.058 A 9 ILE N N 15 122.620 0.000 A 16 ILE H H 1 8.874 0.000 A 16 ILE HA H 1 4.393 0.032 A 16 ILE HB H 1 1.820 0.000 A 16 ILE C C 13 173.615 0.023 A 16 ILE CA C 13 60.068 0.084 A 16 ILE CB C 13 35.256 0.006 A 16 ILE N N 15 122.809 0.027 A 17 VAL H H 1 8.886 0.000 A 17 VAL HA H 1 4.541 0.017 A 17 VAL HB H 1 1.846 0.000 A 17 VAL HGx% H 1 0.730 0.017 A 17 VAL C C 13 175.131 0.046 A 17 VAL CA C 13 61.721 0.079 A 17 VAL CB C 13 33.846 0.122 A 17 VAL CGx C 13 19.838 0.039 A 17 VAL N N 15 124.812 0.027 A 18 TRP H H 1 10.204 0.020 A 18 TRP HA H 1 5.179 0.011 A 18 TRP HBx H 1 2.910 0.020 A 18 TRP HBy H 1 2.910 0.020 A 18 TRP C C 13 175.664 0.011 A 18 TRP CA C 13 58.868 0.057 A 18 TRP CB C 13 32.669 0.000 A 18 TRP N N 15 128.570 0.117 A 19 SER H H 1 9.114 0.020 A 19 SER HA H 1 5.572 0.013 A 19 SER HBx H 1 4.218 0.000 A 19 SER HBy H 1 4.218 0.000 A 19 SER C C 13 174.082 0.011 A 19 SER CA C 13 56.198 0.105 A 19 SER CB C 13 66.592 0.025 A 19 SER N N 15 112.757 0.028 A 20 ASP H H 1 7.211 0.020 A 20 ASP HA H 1 4.924 0.025 A 20 ASP HBx H 1 2.361 0.000 A 20 ASP HBy H 1 3.742 0.001 A 20 ASP C C 13 175.123 0.004 A 20 ASP CA C 13 50.761 0.059 A 20 ASP CB C 13 41.611 0.041 A 20 ASP N N 15 125.806 0.018 A 21 PRO HA H 1 4.418 0.010 A 21 PRO HBx H 1 1.869 0.016 A 21 PRO HBy H 1 2.093 0.000 A 21 PRO HDy H 1 3.854 0.000 A 21 PRO HDx H 1 3.515 0.000 A 21 PRO C C 13 176.827 0.045 A 21 PRO CA C 13 64.830 0.067 A 21 PRO CB C 13 32.487 0.047 A 21 PRO CD C 13 50.488 0.064 A 21 PRO CG C 13 27.157 0.040 A 21 PRO N N 15 134.384 0.000 A 22 THR H H 1 8.535 0.020 A 22 THR HA H 1 4.380 0.016 A 22 THR HB H 1 4.380 0.002 A 22 THR HG2% H 1 1.110 0.004 A 22 THR C C 13 174.953 0.043 A 22 THR CA C 13 61.313 0.039 A 22 THR CB C 13 69.710 0.021 A 22 THR CG2 C 13 22.163 0.014 A 22 THR N N 15 106.099 0.040 A 23 ARG H H 1 8.019 0.020 A 23 ARG HA H 1 4.238 0.070 A 23 ARG HBy H 1 1.503 0.020 A 23 ARG HBx H 1 1.309 0.020 A 23 ARG HDy H 1 3.068 0.000 A 23 ARG HDx H 1 2.815 0.000 A 23 ARG HGy H 1 1.494 0.016 A 23 ARG HGx H 1 1.232 0.013 A 23 ARG C C 13 173.727 0.073 A 23 ARG CA C 13 57.442 0.065 A 23 ARG CB C 13 28.325 0.085 A 23 ARG CD C 13 43.320 0.091 A 23 ARG CG C 13 26.991 0.000 A 23 ARG N N 15 126.442 0.033 A 24 LEU H H 1 8.788 0.000 A 24 LEU HA H 1 4.275 0.045 A 24 LEU HBx H 1 1.214 0.000 A 24 LEU HBy H 1 1.422 0.000 A 24 LEU C C 13 177.353 0.018 A 24 LEU CA C 13 57.444 0.081 A 24 LEU CB C 13 42.082 0.076 A 24 LEU CG C 13 27.685 0.000 A 24 LEU N N 15 126.748 0.109 A 25 SER H H 1 7.457 0.000 A 25 SER HA H 1 4.016 0.005 A 25 SER HBx H 1 3.708 0.000 A 25 SER HBy H 1 3.708 0.000 A 25 SER C C 13 174.661 0.008 A 25 SER CA C 13 58.236 0.115 A 25 SER CB C 13 62.789 0.154 A 25 SER N N 15 108.983 0.076 A 26 THR H H 1 8.520 0.021 A 26 THR HA H 1 4.804 0.041 A 26 THR HB H 1 4.511 0.020 A 26 THR HG2% H 1 1.529 0.020 A 26 THR C C 13 174.169 0.052 A 26 THR CA C 13 62.055 0.080 A 26 THR CB C 13 68.937 0.000 A 26 THR CG2 C 13 23.064 0.000 A 26 THR N N 15 122.928 0.053 A 27 THR H H 1 8.348 0.000 A 27 THR HA H 1 5.562 0.018 A 27 THR HB H 1 4.142 0.020 A 27 THR HG2% H 1 1.045 0.020 A 27 THR C C 13 174.116 0.000 A 27 THR CA C 13 59.160 0.045 A 27 THR CB C 13 73.780 0.000 A 27 THR CG2 C 13 20.959 0.300 A 27 THR N N 15 115.143 0.164 A 28 PHE H H 1 8.864 0.000 A 28 PHE HA H 1 5.894 0.007 A 28 PHE HBx H 1 3.180 0.020 A 28 PHE HBy H 1 3.180 0.020 A 28 PHE C C 13 173.969 0.032 A 28 PHE CA C 13 56.978 0.041 A 28 PHE CB C 13 41.965 0.000 A 28 PHE N N 15 122.237 0.071 A 29 SER H H 1 9.006 0.037 A 29 SER HA H 1 5.630 0.014 A 29 SER C C 13 171.649 0.011 A 29 SER CA C 13 55.644 0.087 A 29 SER CB C 13 65.473 0.000 A 29 SER N N 15 122.240 0.050 A 30 ALA H H 1 8.967 0.002 A 30 ALA HA H 1 5.134 0.013 A 30 ALA HB% H 1 1.272 0.008 A 30 ALA C C 13 174.569 0.007 A 30 ALA CA C 13 49.819 0.058 A 30 ALA CB C 13 23.529 0.029 A 30 ALA N N 15 125.446 0.136 A 31 SER H H 1 8.370 0.022 A 31 SER HA H 1 5.356 0.026 A 31 SER C C 13 173.308 0.014 A 31 SER CA C 13 55.730 0.091 A 31 SER CB C 13 65.174 0.300 A 31 SER N N 15 114.873 0.040 A 32 LEU H H 1 8.430 0.035 A 32 LEU HA H 1 5.234 0.017 A 32 LEU HDx% H 1 0.693 0.020 A 32 LEU C C 13 175.661 0.005 A 32 LEU CA C 13 53.305 0.070 A 32 LEU CB C 13 45.102 0.300 A 32 LEU N N 15 121.455 0.074 A 33 LEU H H 1 8.638 0.038 A 33 LEU HA H 1 4.527 0.021 A 33 LEU C C 13 174.070 0.000 A 33 LEU CA C 13 54.169 0.090 A 33 LEU N N 15 123.666 0.049 A 34 ARG H H 1 8.776 0.000 A 34 ARG HA H 1 4.089 0.013 A 34 ARG C C 13 174.896 0.000 A 34 ARG CA C 13 60.609 0.057 A 34 ARG CB C 13 32.403 0.000 A 34 ARG N N 15 127.938 0.148 A 40 GLY HAy H 1 4.087 0.020 A 40 GLY HAx H 1 3.566 0.020 A 40 GLY C C 13 173.587 0.300 A 40 GLY CA C 13 45.049 0.300 A 41 ILE H H 1 8.068 0.020 A 41 ILE HA H 1 4.125 0.020 A 41 ILE HB H 1 2.003 0.020 A 41 ILE HG2% H 1 0.821 0.020 A 41 ILE C C 13 175.688 0.300 A 41 ILE CA C 13 61.544 0.300 A 41 ILE CB C 13 38.248 0.300 A 41 ILE CG2 C 13 17.707 0.300 A 41 ILE N N 15 120.404 0.300 A 42 ALA H H 1 8.047 0.020 A 42 ALA HA H 1 4.354 0.020 A 42 ALA HB% H 1 1.193 0.020 A 42 ALA C C 13 174.800 0.300 A 42 ALA CA C 13 51.189 0.300 A 42 ALA CB C 13 19.846 0.300 A 42 ALA N N 15 125.288 0.300 A 43 GLU HA H 1 4.818 0.020 A 43 GLU C C 13 175.251 0.000 A 43 GLU CA C 13 55.450 0.300 A 43 GLU N N 15 121.671 0.300 A 44 LEU HA H 1 4.570 0.020 A 44 LEU HBx H 1 1.564 0.020 A 44 LEU HDx% H 1 0.690 0.020 A 44 LEU HDy% H 1 0.640 0.020 A 44 LEU C C 13 175.406 0.000 A 44 LEU CA C 13 52.700 0.300 A 44 LEU CB C 13 43.495 0.300 A 44 LEU CG C 13 26.403 0.300 A 44 LEU N N 15 125.012 0.300 A 45 ASN H H 1 10.500 0.020 A 45 ASN HA H 1 4.718 0.020 A 45 ASN HBx H 1 2.820 0.020 A 45 ASN HBy H 1 2.820 0.020 A 45 ASN C C 13 173.718 0.000 A 45 ASN CA C 13 52.972 0.300 A 45 ASN CB C 13 39.261 0.300 A 45 ASN N N 15 124.216 0.300 A 46 ASN H H 1 8.194 0.020 A 46 ASN HA H 1 4.651 0.020 A 46 ASN HBx H 1 2.825 0.020 A 46 ASN HBy H 1 2.825 0.020 A 46 ASN C C 13 175.393 0.000 A 46 ASN CA C 13 55.024 0.300 A 46 ASN CB C 13 39.890 0.300 A 46 ASN N N 15 119.800 0.300 A 47 VAL H H 1 8.135 0.020 A 47 VAL HA H 1 4.494 0.020 A 47 VAL HB H 1 2.362 0.020 A 47 VAL HGy% H 1 0.676 0.020 A 47 VAL C C 13 174.546 0.000 A 47 VAL CA C 13 62.150 0.300 A 47 VAL CB C 13 33.180 0.300 A 47 VAL CGx C 13 20.957 0.300 A 47 VAL CGy C 13 21.340 0.300 A 47 VAL N N 15 128.454 0.300 A 48 SER HA H 1 5.482 0.020 A 48 SER C C 13 174.771 0.000 A 48 SER CA C 13 55.500 0.300 A 48 SER CB C 13 62.955 0.300 A 49 GLY H H 1 8.018 0.020 A 49 GLY HAx H 1 3.200 0.020 A 49 GLY HAy H 1 4.900 0.020 A 49 GLY C C 13 170.570 0.000 A 49 GLY CA C 13 44.716 0.300 A 49 GLY N N 15 103.960 0.300 A 50 GLN H H 1 8.607 0.020 A 50 GLN HA H 1 4.956 0.020 A 50 GLN HBx H 1 1.595 0.020 A 50 GLN HGx H 1 1.851 0.020 A 50 GLN HGy H 1 1.851 0.020 A 50 GLN C C 13 174.022 0.000 A 50 GLN CA C 13 53.803 0.300 A 50 GLN CB C 13 30.751 0.300 A 50 GLN CG C 13 34.350 0.300 A 50 GLN N N 15 123.700 0.300 A 51 TYR H H 1 9.640 0.020 A 51 TYR HA H 1 5.275 0.020 A 51 TYR HBx H 1 2.670 0.020 A 51 TYR HBy H 1 2.670 0.020 A 51 TYR C C 13 174.999 0.000 A 51 TYR CA C 13 55.793 0.300 A 51 TYR CB C 13 39.735 0.300 A 51 TYR N N 15 128.850 0.300 A 52 VAL H H 1 8.983 0.020 A 52 VAL HA H 1 5.347 0.020 A 52 VAL HB H 1 1.896 0.020 A 52 VAL HGx% H 1 0.751 0.020 A 52 VAL HGy% H 1 0.811 0.020 A 52 VAL C C 13 175.905 0.000 A 52 VAL CA C 13 61.260 0.300 A 52 VAL CB C 13 34.838 0.300 A 52 VAL CGx C 13 20.323 0.300 A 52 VAL CGy C 13 20.726 0.300 A 52 VAL N N 15 124.500 0.300 A 53 SER H H 1 10.294 0.020 A 53 SER HA H 1 5.570 0.020 A 53 SER C C 13 172.838 0.000 A 53 SER CA C 13 58.907 0.300 A 53 SER CB C 13 63.360 0.300 A 53 SER N N 15 128.855 0.300 A 54 VAL H H 1 8.864 0.020 A 54 VAL HA H 1 4.957 0.020 A 54 VAL HB H 1 2.083 0.020 A 54 VAL HGx% H 1 0.777 0.020 A 54 VAL HGy% H 1 0.822 0.020 A 54 VAL CA C 13 61.756 0.300 A 54 VAL CB C 13 35.268 0.300 A 54 VAL CGy C 13 21.444 0.300 A 54 VAL CGx C 13 21.349 0.300 A 54 VAL N N 15 124.200 0.300 A 55 TYR HA H 1 5.880 0.020 A 55 TYR CA C 13 55.900 0.300 A 55 TYR N N 15 123.100 0.300 A 57 ARG HA H 1 4.963 0.020 A 57 ARG HBx H 1 1.767 0.020 A 57 ARG HBy H 1 1.767 0.020 A 57 ARG CA C 13 50.134 0.300 A 57 ARG CB C 13 32.393 0.300 A 58 PRO HA H 1 4.704 0.020 A 58 PRO HBx H 1 1.837 0.020 A 58 PRO HBy H 1 2.145 0.020 A 58 PRO HDy H 1 3.985 0.020 A 58 PRO HGx H 1 1.772 0.020 A 58 PRO HGy H 1 2.053 0.020 A 58 PRO CA C 13 63.300 0.300 A 58 PRO CB C 13 31.982 0.300 A 58 PRO CD C 13 50.793 0.300 A 58 PRO CG C 13 27.381 0.300 A 59 ALA H H 1 8.727 0.020 A 59 ALA HA H 1 4.160 0.020 A 59 ALA HB% H 1 1.152 0.020 A 59 ALA CA C 13 50.500 0.300 A 59 ALA CB C 13 16.791 0.300 A 60 PRO HDx H 1 3.422 0.020 A 60 PRO CD C 13 49.251 0.300 A 63 GLU HA H 1 4.910 0.020 A 63 GLU CA C 13 51.000 0.300 A 64 GLY HAx H 1 3.480 0.020 A 64 GLY HAy H 1 3.960 0.020 A 64 GLY C C 13 175.469 0.000 A 64 GLY CA C 13 46.700 0.300 A 64 GLY N N 15 101.300 0.300 A 65 CYS H H 1 8.080 0.020 A 65 CYS HA H 1 4.590 0.020 A 65 CYS C C 13 173.204 0.000 A 65 CYS CA C 13 54.861 0.300 A 65 CYS CB C 13 40.040 0.300 A 65 CYS N N 15 118.700 0.300 A 66 ALA H H 1 9.054 0.020 A 66 ALA HA H 1 4.550 0.020 A 66 ALA HB% H 1 1.231 0.020 A 66 ALA C C 13 176.080 0.000 A 66 ALA CA C 13 50.800 0.300 A 66 ALA CB C 13 19.042 0.300 A 66 ALA N N 15 133.801 0.300 A 67 ASP H H 1 6.713 0.020 A 67 ASP HA H 1 4.443 0.020 A 67 ASP HBy H 1 2.893 0.020 A 67 ASP HBx H 1 2.678 0.020 A 67 ASP C C 13 177.513 0.300 A 67 ASP CA C 13 54.018 0.300 A 67 ASP CB C 13 42.389 0.300 A 67 ASP N N 15 119.346 0.300 A 68 ALA H H 1 9.125 0.020 A 68 ALA HA H 1 4.007 0.020 A 68 ALA HB% H 1 1.319 0.020 A 68 ALA C C 13 178.250 0.300 A 68 ALA CA C 13 53.834 0.300 A 68 ALA CB C 13 18.329 0.300 A 68 ALA N N 15 131.979 0.300 A 69 CYS H H 1 9.044 0.020 A 69 CYS HA H 1 4.305 0.020 A 69 CYS HBx H 1 2.169 0.020 A 69 CYS HBy H 1 2.300 0.020 A 69 CYS C C 13 174.151 0.300 A 69 CYS CA C 13 54.081 0.300 A 69 CYS CB C 13 41.264 0.300 A 69 CYS N N 15 112.209 0.300 A 70 VAL H H 1 7.113 0.020 A 70 VAL HA H 1 3.750 0.020 A 70 VAL HB H 1 1.874 0.020 A 70 VAL HGx% H 1 0.624 0.020 A 70 VAL C C 13 174.722 0.300 A 70 VAL CA C 13 62.945 0.300 A 70 VAL CB C 13 31.310 0.300 A 70 VAL CGx C 13 20.631 0.300 A 70 VAL N N 15 121.283 0.300 A 71 ILE H H 1 8.185 0.020 A 71 ILE HA H 1 4.077 0.020 A 71 ILE C C 13 174.880 0.300 A 71 ILE CA C 13 60.530 0.300 A 71 ILE CB C 13 38.939 0.300 A 71 ILE N N 15 128.902 0.300 A 72 MET H H 1 8.500 0.020 A 72 MET HA H 1 4.130 0.020 A 72 MET HBx H 1 2.017 0.020 A 72 MET C C 13 173.852 0.000 A 72 MET CA C 13 55.446 0.300 A 72 MET CB C 13 31.650 0.300 A 72 MET N N 15 123.100 0.300 A 73 PRO HA H 1 4.414 0.020 A 73 PRO HBx H 1 1.593 0.020 A 73 PRO HBy H 1 2.258 0.020 A 73 PRO HDx H 1 3.366 0.020 A 73 PRO HDy H 1 3.522 0.020 A 73 PRO HGx H 1 1.777 0.020 A 73 PRO C C 13 174.308 0.000 A 73 PRO CA C 13 61.814 0.300 A 73 PRO CB C 13 32.091 0.300 A 73 PRO CD C 13 49.349 0.300 A 73 PRO CG C 13 27.443 0.300 A 74 ASN H H 1 8.238 0.020 A 74 ASN HA H 1 5.102 0.020 A 74 ASN HBx H 1 2.225 0.020 A 74 ASN HBy H 1 2.433 0.020 A 74 ASN C C 13 175.725 0.300 A 74 ASN CA C 13 52.192 0.300 A 74 ASN CB C 13 40.721 0.300 A 74 ASN N N 15 114.694 0.300 A 75 GLU H H 1 9.072 0.020 A 75 GLU HA H 1 4.707 0.020 A 75 GLU HBx H 1 1.550 0.020 A 75 GLU HBy H 1 2.271 0.020 A 75 GLU HGx H 1 1.930 0.020 A 75 GLU HGy H 1 2.316 0.020 A 75 GLU C C 13 173.708 0.300 A 75 GLU CA C 13 53.433 0.300 A 75 GLU CB C 13 31.794 0.300 A 75 GLU CG C 13 34.508 0.300 A 75 GLU N N 15 119.183 0.300 A 76 ASN H H 1 8.783 0.020 A 76 ASN HA H 1 5.092 0.020 A 76 ASN HBx H 1 2.338 0.020 A 76 ASN HBy H 1 2.514 0.020 A 76 ASN C C 13 175.537 0.300 A 76 ASN CA C 13 52.393 0.300 A 76 ASN CB C 13 38.817 0.300 A 76 ASN N N 15 120.185 0.300 A 77 GLN H H 1 9.048 0.020 A 77 GLN HA H 1 4.881 0.020 A 77 GLN HBx H 1 1.635 0.020 A 77 GLN HBy H 1 1.635 0.020 A 77 GLN HGx H 1 2.140 0.020 A 77 GLN HGy H 1 2.319 0.020 A 77 GLN C C 13 175.834 0.300 A 77 GLN CA C 13 55.433 0.300 A 77 GLN CB C 13 29.053 0.300 A 77 GLN CG C 13 33.876 0.300 A 77 GLN N N 15 125.411 0.300 A 78 SER H H 1 9.001 0.020 A 78 SER HA H 1 5.650 0.020 A 78 SER HBx H 1 3.662 0.020 A 78 SER HBy H 1 3.662 0.020 A 78 SER C C 13 172.781 0.300 A 78 SER CA C 13 56.308 0.300 A 78 SER CB C 13 66.176 0.300 A 78 SER N N 15 116.857 0.300 A 79 ILE H H 1 8.853 0.020 A 79 ILE HA H 1 4.980 0.020 A 79 ILE HB H 1 1.310 0.020 A 79 ILE HD1% H 1 0.847 0.020 A 79 ILE HG1x H 1 0.799 0.020 A 79 ILE HG1y H 1 1.624 0.020 A 79 ILE HG2% H 1 -0.467 0.020 A 79 ILE C C 13 173.938 0.000 A 79 ILE CA C 13 60.283 0.300 A 79 ILE CB C 13 41.715 0.300 A 79 ILE CD1 C 13 14.263 0.300 A 79 ILE CG1 C 13 27.161 0.300 A 79 ILE CG2 C 13 14.290 0.300 A 79 ILE N N 15 122.548 0.300 A 80 ARG H H 1 8.926 0.020 A 80 ARG HA H 1 5.686 0.020 A 80 ARG HBx H 1 1.706 0.020 A 80 ARG HBy H 1 1.706 0.020 A 80 ARG C C 13 175.325 0.000 A 80 ARG CA C 13 53.517 0.300 A 80 ARG CB C 13 33.839 0.300 A 80 ARG N N 15 126.720 0.300 A 81 THR H H 1 10.002 0.020 A 81 THR HA H 1 6.000 0.020 A 81 THR HB H 1 3.966 0.020 A 81 THR HG2% H 1 1.165 0.020 A 81 THR C C 13 173.510 0.000 A 81 THR CA C 13 61.812 0.300 A 81 THR CB C 13 73.570 0.300 A 81 THR CG2 C 13 22.666 0.300 A 81 THR N N 15 125.138 0.300 A 82 VAL H H 1 9.674 0.020 A 82 VAL HA H 1 5.460 0.020 A 82 VAL HB H 1 1.809 0.020 A 82 VAL HGx% H 1 0.719 0.020 A 82 VAL HGy% H 1 0.662 0.020 A 82 VAL C C 13 176.163 0.000 A 82 VAL CA C 13 60.117 0.300 A 82 VAL CB C 13 33.873 0.300 A 82 VAL CGy C 13 20.428 0.300 A 82 VAL CGx C 13 20.214 0.300 A 82 VAL N N 15 127.585 0.300 A 83 ILE H H 1 9.275 0.020 A 83 ILE HA H 1 4.305 0.020 A 83 ILE HB H 1 1.243 0.020 A 83 ILE HD1% H 1 -1.190 0.020 A 83 ILE HG1x H 1 0.086 0.020 A 83 ILE HG1y H 1 0.258 0.020 A 83 ILE HG2% H 1 0.287 0.020 A 83 ILE C C 13 174.724 0.000 A 83 ILE CA C 13 61.075 0.300 A 83 ILE CB C 13 39.822 0.300 A 83 ILE CD1 C 13 10.800 0.300 A 83 ILE CG1 C 13 27.507 0.300 A 83 ILE CG2 C 13 16.427 0.300 A 83 ILE N N 15 130.860 0.300 A 84 SER H H 1 9.218 0.020 A 84 SER HA H 1 5.790 0.020 A 84 SER HBx H 1 3.846 0.020 A 84 SER HBy H 1 3.846 0.020 A 84 SER C C 13 172.412 0.300 A 84 SER CA C 13 55.954 0.300 A 84 SER CB C 13 64.825 0.300 A 84 SER N N 15 121.744 0.300 A 85 GLY H H 1 7.971 0.020 A 85 GLY HAy H 1 4.350 0.020 A 85 GLY HAx H 1 4.025 0.020 A 85 GLY C C 13 173.776 0.300 A 85 GLY CA C 13 45.387 0.300 A 85 GLY N N 15 111.809 0.300 A 86 SER H H 1 10.564 0.020 A 86 SER HA H 1 4.580 0.020 A 86 SER HBx H 1 4.071 0.020 A 86 SER HBy H 1 4.071 0.020 A 86 SER C C 13 175.577 0.300 A 86 SER CA C 13 59.368 0.300 A 86 SER CB C 13 64.277 0.300 A 86 SER N N 15 121.677 0.300 A 87 ALA H H 1 9.039 0.020 A 87 ALA HA H 1 4.140 0.020 A 87 ALA HB% H 1 1.445 0.020 A 87 ALA C C 13 181.599 0.300 A 87 ALA CA C 13 53.421 0.300 A 87 ALA CB C 13 18.716 0.300 A 87 ALA N N 15 122.956 0.300 A 88 GLU H H 1 9.510 0.020 A 88 GLU HA H 1 3.878 0.020 A 88 GLU HBx H 1 1.589 0.020 A 88 GLU HBy H 1 2.137 0.020 A 88 GLU HGx H 1 2.299 0.020 A 88 GLU HGy H 1 2.740 0.020 A 88 GLU C C 13 178.325 0.300 A 88 GLU CA C 13 61.954 0.300 A 88 GLU CB C 13 27.504 0.300 A 88 GLU CG C 13 38.761 0.300 A 88 GLU N N 15 119.079 0.300 A 89 ASN H H 1 7.619 0.020 A 89 ASN HA H 1 5.250 0.020 A 89 ASN HBx H 1 2.952 0.020 A 89 ASN HBy H 1 2.952 0.020 A 89 ASN C C 13 174.798 0.300 A 89 ASN CA C 13 51.497 0.300 A 89 ASN CB C 13 37.566 0.300 A 89 ASN N N 15 117.277 0.300 A 90 LEU H H 1 7.261 0.020 A 90 LEU HA H 1 4.000 0.020 A 90 LEU HBx H 1 1.692 0.020 A 90 LEU HBy H 1 1.955 0.020 A 90 LEU HDx% H 1 0.705 0.020 A 90 LEU HDy% H 1 0.765 0.020 A 90 LEU C C 13 177.208 0.300 A 90 LEU CA C 13 58.008 0.300 A 90 LEU CB C 13 41.942 0.300 A 90 LEU CDx C 13 25.806 0.300 A 90 LEU CG C 13 26.563 0.300 A 90 LEU N N 15 121.317 0.300 A 91 ALA H H 1 8.702 0.020 A 91 ALA HA H 1 3.969 0.020 A 91 ALA HB% H 1 1.353 0.020 A 91 ALA C C 13 182.108 0.300 A 91 ALA CA C 13 56.132 0.300 A 91 ALA CB C 13 17.763 0.300 A 91 ALA N N 15 118.018 0.300 A 92 THR H H 1 7.416 0.020 A 92 THR HA H 1 4.155 0.020 A 92 THR HB H 1 4.030 0.020 A 92 THR HG2% H 1 1.104 0.020 A 92 THR C C 13 177.317 0.300 A 92 THR CA C 13 63.542 0.300 A 92 THR CB C 13 69.216 0.300 A 92 THR CG2 C 13 22.714 0.300 A 92 THR N N 15 105.741 0.300 A 93 LEU H H 1 8.138 0.020 A 93 LEU HA H 1 4.020 0.020 A 93 LEU HBx H 1 1.693 0.020 A 93 LEU HBy H 1 1.902 0.020 A 93 LEU HDx% H 1 0.816 0.020 A 93 LEU C C 13 180.064 0.300 A 93 LEU CA C 13 57.915 0.300 A 93 LEU CB C 13 41.786 0.300 A 93 LEU CDx C 13 26.630 0.300 A 93 LEU CG C 13 26.442 0.300 A 93 LEU N N 15 129.127 0.300 A 94 LYS H H 1 8.942 0.020 A 94 LYS HA H 1 4.264 0.020 A 94 LYS HBx H 1 1.857 0.020 A 94 LYS HBy H 1 1.857 0.020 A 94 LYS HGx H 1 1.326 0.020 A 94 LYS HGy H 1 1.456 0.020 A 94 LYS C C 13 180.318 0.300 A 94 LYS CA C 13 60.900 0.300 A 94 LYS CB C 13 32.343 0.300 A 94 LYS CG C 13 26.630 0.300 A 94 LYS N N 15 117.604 0.300 A 95 ALA H H 1 7.030 0.020 A 95 ALA HA H 1 4.232 0.020 A 95 ALA HB% H 1 1.459 0.020 A 95 ALA C C 13 181.157 0.300 A 95 ALA CA C 13 55.099 0.300 A 95 ALA CB C 13 17.063 0.300 A 95 ALA N N 15 123.464 0.300 A 96 GLU H H 1 8.615 0.020 A 96 GLU HA H 1 3.950 0.020 A 96 GLU HBx H 1 1.866 0.020 A 96 GLU HBy H 1 1.962 0.020 A 96 GLU HGx H 1 2.200 0.020 A 96 GLU HGy H 1 2.200 0.020 A 96 GLU C C 13 180.126 0.300 A 96 GLU CA C 13 58.196 0.300 A 96 GLU CB C 13 29.179 0.300 A 96 GLU CG C 13 35.538 0.300 A 96 GLU N N 15 121.201 0.300 A 97 TRP H H 1 8.637 0.020 A 97 TRP HA H 1 4.800 0.020 A 97 TRP HBx H 1 3.207 0.020 A 97 TRP HBy H 1 3.492 0.020 A 97 TRP HE1 H 1 11.020 0.020 A 97 TRP HE3 H 1 7.870 0.020 A 97 TRP HZ2 H 1 8.024 0.020 A 97 TRP C C 13 176.447 0.300 A 97 TRP CA C 13 59.361 0.300 A 97 TRP CB C 13 30.506 0.300 A 97 TRP N N 15 124.071 0.300 A 97 TRP NE1 N 15 128.400 0.300 A 98 GLU H H 1 7.822 0.020 A 98 GLU HA H 1 3.545 0.020 A 98 GLU HBx H 1 1.939 0.020 A 98 GLU HBy H 1 2.070 0.020 A 98 GLU HGx H 1 2.236 0.020 A 98 GLU HGy H 1 2.236 0.020 A 98 GLU C C 13 179.628 0.300 A 98 GLU CA C 13 59.279 0.300 A 98 GLU CB C 13 28.895 0.300 A 98 GLU CG C 13 35.115 0.300 A 98 GLU N N 15 117.240 0.300 A 99 THR H H 1 7.866 0.020 A 99 THR HA H 1 3.480 0.020 A 99 THR HB H 1 4.054 0.020 A 99 THR HG2% H 1 0.876 0.020 A 99 THR C C 13 174.072 0.300 A 99 THR CA C 13 66.897 0.300 A 99 THR CB C 13 68.636 0.300 A 99 THR CG2 C 13 22.458 0.300 A 99 THR N N 15 117.281 0.300 A 100 HIS H H 1 8.929 0.020 A 100 HIS HA H 1 4.406 0.020 A 100 HIS HBx H 1 3.201 0.020 A 100 HIS HBy H 1 3.201 0.020 A 100 HIS C C 13 176.775 0.000 A 100 HIS CA C 13 60.198 0.300 A 100 HIS CB C 13 27.974 0.300 A 100 HIS N N 15 123.838 0.300 A 101 LYS H H 1 7.895 0.020 A 101 LYS HA H 1 3.386 0.020 A 101 LYS HBx H 1 1.119 0.020 A 101 LYS C C 13 177.226 0.000 A 101 LYS CA C 13 61.047 0.300 A 101 LYS CB C 13 31.740 0.300 A 101 LYS CG C 13 24.036 0.300 A 101 LYS N N 15 115.130 0.300 A 102 ARG H H 1 6.825 0.020 A 102 ARG HA H 1 3.807 0.020 A 102 ARG HBx H 1 1.643 0.020 A 102 ARG HBy H 1 1.643 0.020 A 102 ARG HDx H 1 2.642 0.020 A 102 ARG HDy H 1 2.903 0.020 A 102 ARG HGx H 1 1.324 0.020 A 102 ARG HGy H 1 1.529 0.020 A 102 ARG CA C 13 58.928 0.300 A 102 ARG CB C 13 29.656 0.300 A 102 ARG CD C 13 43.736 0.300 A 102 ARG CG C 13 25.481 0.300 A 102 ARG N N 15 116.155 0.300 A 103 ASN H H 1 8.083 0.020 A 103 ASN HA H 1 3.957 0.020 A 103 ASN HBx H 1 0.785 0.020 A 103 ASN HBy H 1 1.688 0.020 A 103 ASN C C 13 176.466 0.000 A 103 ASN CA C 13 55.341 0.300 A 103 ASN CB C 13 37.119 0.300 A 103 ASN N N 15 119.031 0.300 A 104 VAL H H 1 8.357 0.020 A 104 VAL HA H 1 2.895 0.020 A 104 VAL HB H 1 1.649 0.020 A 104 VAL HGx% H 1 -0.801 0.020 A 104 VAL HGy% H 1 0.093 0.020 A 104 VAL C C 13 178.929 0.000 A 104 VAL CA C 13 66.865 0.300 A 104 VAL CB C 13 30.758 0.300 A 104 VAL CGx C 13 20.360 0.300 A 104 VAL CGy C 13 21.723 0.300 A 104 VAL N N 15 119.871 0.300 A 105 ASP H H 1 9.184 0.020 A 105 ASP HA H 1 4.354 0.020 A 105 ASP HBx H 1 2.563 0.020 A 105 ASP HBy H 1 3.130 0.020 A 105 ASP C C 13 179.094 0.000 A 105 ASP CA C 13 57.349 0.300 A 105 ASP CB C 13 39.017 0.300 A 105 ASP N N 15 121.448 0.300 A 106 THR H H 1 8.298 0.020 A 106 THR HA H 1 4.197 0.020 A 106 THR HB H 1 4.190 0.020 A 106 THR HG1 H 1 5.886 0.020 A 106 THR HG2% H 1 0.922 0.020 A 106 THR C C 13 175.301 0.000 A 106 THR CA C 13 66.459 0.300 A 106 THR CB C 13 67.915 0.300 A 106 THR CG2 C 13 22.768 0.300 A 106 THR N N 15 118.241 0.300 A 107 LEU H H 1 6.974 0.020 A 107 LEU HA H 1 4.303 0.020 A 107 LEU HBx H 1 1.524 0.020 A 107 LEU HBy H 1 1.724 0.020 A 107 LEU HDx% H 1 0.848 0.020 A 107 LEU HDy% H 1 0.724 0.020 A 107 LEU HG H 1 1.734 0.020 A 107 LEU C C 13 176.368 0.000 A 107 LEU CA C 13 57.108 0.300 A 107 LEU CB C 13 42.467 0.300 A 107 LEU CDx C 13 22.065 0.300 A 107 LEU CDy C 13 22.626 0.300 A 107 LEU CG C 13 26.453 0.300 A 107 LEU N N 15 117.347 0.300 A 108 PHE H H 1 9.181 0.020 A 108 PHE HA H 1 4.320 0.020 A 108 PHE HBx H 1 2.334 0.020 A 108 PHE HBy H 1 2.689 0.020 A 108 PHE C C 13 174.623 0.300 A 108 PHE CA C 13 59.540 0.300 A 108 PHE CB C 13 40.683 0.300 A 108 PHE N N 15 117.385 0.300 A 109 ALA H H 1 8.117 0.020 A 109 ALA HA H 1 3.962 0.020 A 109 ALA HB% H 1 1.607 0.020 A 109 ALA C C 13 179.373 0.300 A 109 ALA CA C 13 55.242 0.300 A 109 ALA CB C 13 19.074 0.300 A 109 ALA N N 15 121.977 0.300 A 110 SER H H 1 8.394 0.020 A 110 SER HA H 1 4.483 0.020 A 110 SER HBx H 1 3.773 0.020 A 110 SER HBy H 1 3.773 0.020 A 110 SER C C 13 174.637 0.300 A 110 SER CA C 13 57.899 0.300 A 110 SER CB C 13 63.168 0.300 A 110 SER N N 15 110.017 0.300 A 111 GLY H H 1 6.009 0.020 A 111 GLY HAx H 1 3.746 0.020 A 111 GLY HAy H 1 4.403 0.020 A 111 GLY C C 13 173.891 0.300 A 111 GLY CA C 13 44.346 0.300 A 111 GLY N N 15 108.165 0.300 A 112 ASN H H 1 8.982 0.020 A 112 ASN HA H 1 5.050 0.020 A 112 ASN HBx H 1 2.595 0.020 A 112 ASN HBy H 1 3.138 0.020 A 112 ASN C C 13 177.548 0.300 A 112 ASN CA C 13 52.600 0.300 A 112 ASN CB C 13 39.205 0.300 A 112 ASN N N 15 115.632 0.300 A 113 ALA H H 1 8.769 0.020 A 113 ALA HA H 1 4.626 0.020 A 113 ALA HB% H 1 1.470 0.020 A 113 ALA C C 13 181.289 0.300 A 113 ALA CA C 13 56.032 0.300 A 113 ALA CB C 13 19.051 0.300 A 113 ALA N N 15 127.068 0.300 A 114 GLY H H 1 10.094 0.020 A 114 GLY HAy H 1 4.056 0.020 A 114 GLY HAx H 1 3.693 0.020 A 114 GLY C C 13 173.879 0.300 A 114 GLY CA C 13 46.069 0.300 A 114 GLY N N 15 107.290 0.300 A 115 LEU H H 1 7.293 0.020 A 115 LEU HA H 1 4.541 0.020 A 115 LEU HBx H 1 1.919 0.020 A 115 LEU HBy H 1 2.297 0.020 A 115 LEU HDy% H 1 0.849 0.020 A 115 LEU HG H 1 1.508 0.020 A 115 LEU C C 13 175.837 0.300 A 115 LEU CA C 13 53.908 0.300 A 115 LEU CB C 13 43.265 0.300 A 115 LEU CDy C 13 26.018 0.300 A 115 LEU CG C 13 26.047 0.300 A 115 LEU N N 15 113.975 0.300 A 116 GLY H H 1 7.668 0.020 A 116 GLY HAx H 1 3.149 0.020 A 116 GLY HAy H 1 4.290 0.020 A 116 GLY C C 13 172.837 0.300 A 116 GLY CA C 13 44.502 0.300 A 116 GLY N N 15 101.326 0.300 A 117 PHE H H 1 7.428 0.020 A 117 PHE HA H 1 4.772 0.020 A 117 PHE HBx H 1 2.850 0.020 A 117 PHE HBy H 1 2.850 0.020 A 117 PHE C C 13 175.239 0.300 A 117 PHE CA C 13 56.965 0.300 A 117 PHE CB C 13 40.821 0.300 A 117 PHE N N 15 118.506 0.300 A 118 LEU H H 1 8.849 0.020 A 118 LEU HA H 1 4.560 0.020 A 118 LEU HBx H 1 1.746 0.020 A 118 LEU HBy H 1 2.528 0.020 A 118 LEU HG H 1 1.524 0.020 A 118 LEU C C 13 175.934 0.300 A 118 LEU CA C 13 53.319 0.300 A 118 LEU CB C 13 44.067 0.300 A 118 LEU CG C 13 26.192 0.300 A 118 LEU N N 15 123.885 0.300 A 119 ASP H H 1 7.517 0.020 A 119 ASP HA H 1 5.143 0.020 A 119 ASP HBx H 1 2.639 0.020 A 119 ASP HBy H 1 2.953 0.020 A 119 ASP C C 13 174.762 0.000 A 119 ASP CA C 13 49.951 0.300 A 119 ASP CB C 13 42.210 0.300 A 119 ASP N N 15 121.952 0.300 A 120 PRO HA H 1 4.473 0.020 A 120 PRO HBx H 1 1.958 0.020 A 120 PRO HBy H 1 2.131 0.020 A 120 PRO HDx H 1 4.010 0.020 A 120 PRO HDy H 1 4.010 0.020 A 120 PRO HGx H 1 1.916 0.020 A 120 PRO HGy H 1 1.916 0.020 A 120 PRO C C 13 177.695 0.300 A 120 PRO CA C 13 64.340 0.300 A 120 PRO CB C 13 31.713 0.300 A 120 PRO CD C 13 50.437 0.300 A 120 PRO CG C 13 26.637 0.300 A 120 PRO N N 15 134.368 0.300 A 121 THR H H 1 8.493 0.020 A 121 THR HA H 1 4.486 0.020 A 121 THR HB H 1 4.392 0.020 A 121 THR HG2% H 1 1.130 0.020 A 121 THR C C 13 174.486 0.300 A 121 THR CA C 13 61.416 0.300 A 121 THR CB C 13 69.359 0.300 A 121 THR CG2 C 13 21.786 0.300 A 121 THR N N 15 110.510 0.300 A 122 ALA H H 1 7.321 0.020 A 122 ALA HA H 1 3.911 0.020 A 122 ALA HB% H 1 1.230 0.020 A 122 ALA C C 13 177.048 0.300 A 122 ALA CA C 13 52.605 0.300 A 122 ALA CB C 13 19.971 0.300 A 122 ALA N N 15 125.340 0.300 A 123 ALA H H 1 8.337 0.020 A 123 ALA HA H 1 4.414 0.020 A 123 ALA HB% H 1 1.136 0.020 A 123 ALA C C 13 175.135 0.300 A 123 ALA CA C 13 51.452 0.300 A 123 ALA CB C 13 16.515 0.300 A 123 ALA N N 15 125.575 0.300 A 124 ILE H H 1 7.750 0.020 A 124 ILE HA H 1 3.477 0.020 A 124 ILE HB H 1 0.555 0.020 A 124 ILE HD1% H 1 -0.293 0.020 A 124 ILE HG1y H 1 0.288 0.020 A 124 ILE HG1x H 1 -0.404 0.020 A 124 ILE HG2% H 1 -0.031 0.020 A 124 ILE C C 13 176.324 0.300 A 124 ILE CA C 13 57.246 0.300 A 124 ILE CB C 13 36.333 0.300 A 124 ILE CD1 C 13 7.754 0.300 A 124 ILE CG1 C 13 23.990 0.300 A 124 ILE CG2 C 13 16.503 0.300 A 124 ILE N N 15 128.584 0.300 A 125 VAL H H 1 8.094 0.020 A 125 VAL HA H 1 4.970 0.020 A 125 VAL HB H 1 1.934 0.020 A 125 VAL HGx% H 1 0.347 0.020 A 125 VAL HGy% H 1 0.434 0.020 A 125 VAL C C 13 174.119 0.300 A 125 VAL CA C 13 58.623 0.300 A 125 VAL CB C 13 35.108 0.300 A 125 VAL CGy C 13 20.680 0.300 A 125 VAL N N 15 118.490 0.300 A 126 SER H H 1 8.618 0.020 A 126 SER HA H 1 4.705 0.020 A 126 SER HBx H 1 3.634 0.020 A 126 SER HBy H 1 3.634 0.020 A 126 SER C C 13 174.450 0.000 A 126 SER CA C 13 54.757 0.300 A 126 SER CB C 13 63.360 0.300 A 126 SER N N 15 113.054 0.300 A 127 SER H H 1 8.045 0.020 A 127 SER HA H 1 3.939 0.020 A 127 SER HBx H 1 3.953 0.020 A 127 SER HBy H 1 3.953 0.020 A 127 SER C C 13 176.764 0.000 A 127 SER CA C 13 59.624 0.300 A 127 SER CB C 13 61.944 0.300 A 127 SER N N 15 119.049 0.300 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 99 THR HG2% A 127 SER HA 1.0 . 5.02 2 2 B 299 THR HG21 B 327 SER HA 1.0 . 5.02 3 3 A 127 SER HA A 126 SER HA 1.0 . 4.53 4 4 B 327 SER HA B 326 SER HA 1.0 . 4.53 5 5 A 126 SER HA A 127 SER HBx 1.0 . 5.29 6 5 A 126 SER HA A 127 SER HBy 1.0 . 5.29 7 6 A 85 GLY HAx B 277 GLN HA 1.0 . 5.50 8 7 B 326 SER HA B 327 SER HBx 1.0 . 5.29 9 7 B 326 SER HA B 327 SER HBy 1.0 . 5.29 10 8 A 77 GLN HA B 285 GLY HAy 1.0 . 5.50 11 9 A 99 THR HG2% A 126 SER HA 1.0 . 4.78 12 10 B 299 THR HG21 B 326 SER HA 1.0 . 4.78 13 11 A 126 SER HA A 102 ARG HGx 1.0 . 5.02 14 12 A 126 SER HA A 102 ARG HGy 1.0 . 5.11 15 13 B 326 SER HA B 302 ARG HGx 1.0 . 5.02 16 14 B 326 SER HA B 302 ARG HGy 1.0 . 5.11 17 15 A 123 ALA HA A 124 ILE HB 1.0 . 4.92 18 16 B 323 ALA HA B 324 ILE HB 1.0 . 4.92 19 17 A 106 THR HG2% A 122 ALA HA 1.0 . 4.72 20 18 B 306 THR HG21 B 322 ALA HA 1.0 . 4.72 21 19 A 123 ALA HA A 122 ALA HA 1.0 . 4.52 22 20 B 323 ALA HA B 322 ALA HA 1.0 . 4.52 23 21 A 22 THR HA A 22 THR HG2% 1.0 . 4.25 24 22 B 222 THR HA B 222 THR HG21 1.0 . 4.25 25 23 A 32 LEU HA A 33 LEU HA 1.0 . 4.72 26 24 B 232 LEU HA B 233 LEU HA 1.0 . 4.72 27 25 A 33 LEU HA A 34 ARG HA 1.0 . 5.50 28 26 A 114 GLY HAy A 115 LEU HA 1.0 . 5.50 29 27 B 233 LEU HA B 234 ARG HA 1.0 . 5.50 30 28 B 314 GLY HAx B 315 LEU HA 1.0 . 5.50 31 29 A 115 LEU HA A 115 LEU HG 1.0 . 4.21 32 30 B 315 LEU HA B 315 LEU HG 1.0 . 4.21 33 31 A 33 LEU HA A 32 LEU HDx% 1.0 . 4.75 34 32 B 233 LEU HA B 232 LEU HD11 1.0 . 4.75 35 33 A 112 ASN HA A 115 LEU H 1.0 . 4.97 36 34 B 312 ASN HA B 315 LEU H 1.0 . 4.97 37 35 A 112 ASN HA A 115 LEU HDy% 1.0 . 5.17 38 36 B 312 ASN HA B 315 LEU HD21 1.0 . 5.17 39 37 A 112 ASN HA A 113 ALA HB% 1.0 . 5.00 40 38 B 312 ASN HA B 313 ALA HB1 1.0 . 5.00 41 39 A 58 PRO HA A 74 ASN HA 1.0 . 4.39 42 40 B 258 PRO HA B 274 ASN HA 1.0 . 4.39 43 41 A 109 ALA HB% A 110 SER HA 1.0 . 5.16 44 42 B 309 ALA HB1 B 310 SER HA 1.0 . 5.16 45 43 A 103 ASN HA A 105 ASP H 1.0 . 5.15 46 44 A 108 PHE H A 109 ALA HA 1.0 . 5.50 47 45 B 303 ASN HA B 305 ASP H 1.0 . 5.15 48 46 B 308 PHE H B 309 ALA HA 1.0 . 5.50 49 47 A 103 ASN HA A 107 LEU H 1.0 . 5.12 50 48 B 303 ASN HA B 307 LEU H 1.0 . 5.12 51 49 A 109 ALA HA A 111 GLY H 1.0 . 4.94 52 50 A 103 ASN HA A 106 THR HG1 1.0 . 5.17 53 51 B 309 ALA HA B 311 GLY H 1.0 . 4.94 54 52 B 303 ASN HA B 306 THR HG1 1.0 . 5.17 55 53 A 109 ALA HA A 108 PHE HA 1.0 . 4.74 56 54 A 103 ASN HA A 106 THR HB 1.0 . 4.84 57 55 B 309 ALA HA B 308 PHE HA 1.0 . 4.74 58 56 B 303 ASN HA B 306 THR HB 1.0 . 4.84 59 57 A 103 ASN HA A 124 ILE HA 1.0 . 4.62 60 58 B 303 ASN HA B 324 ILE HA 1.0 . 4.62 61 59 A 103 ASN HA A 104 VAL HA 1.0 . 4.83 62 60 B 303 ASN HA B 304 VAL HA 1.0 . 4.83 63 61 A 103 ASN HA A 124 ILE HD1% 1.0 . 5.22 64 62 B 303 ASN HA B 324 ILE HD11 1.0 . 5.22 65 63 A 108 PHE HA A 107 LEU HBx 1.0 . 4.45 66 64 B 308 PHE HA B 307 LEU HBx 1.0 . 4.45 67 65 A 108 PHE HA A 107 LEU HDx% 1.0 . 5.32 68 66 B 308 PHE HA B 307 LEU HD11 1.0 . 5.32 69 67 A 107 LEU HA A 110 SER H 1.0 . 5.21 70 68 B 307 LEU HA B 310 SER H 1.0 . 5.21 71 69 A 105 ASP HA A 109 ALA H 1.0 . 4.95 72 70 A 107 LEU HA A 109 ALA H 1.0 . 5.45 73 71 B 305 ASP HA B 309 ALA H 1.0 . 4.95 74 72 B 307 LEU HA B 309 ALA H 1.0 . 5.45 75 73 A 111 GLY H A 107 LEU HA 1.0 . 4.79 76 74 B 311 GLY H B 307 LEU HA 1.0 . 4.79 77 75 A 107 LEU HDx% A 107 LEU HA 1.0 . 4.46 78 76 B 307 LEU HD11 B 307 LEU HA 1.0 . 4.46 79 77 A 105 ASP HA A 104 VAL HGx% 1.0 . 5.50 80 78 B 305 ASP HA B 304 VAL HG11 1.0 . 5.50 81 79 A 107 LEU H A 104 VAL HA 1.0 . 4.76 82 80 B 307 LEU H B 304 VAL HA 1.0 . 4.76 83 81 A 104 VAL HA A 105 ASP HA 1.0 . 5.46 84 82 A 104 VAL HA A 107 LEU HA 1.0 . 5.50 85 83 B 304 VAL HA B 305 ASP HA 1.0 . 5.46 86 84 B 304 VAL HA B 307 LEU HA 1.0 . 5.50 87 85 A 104 VAL HA A 107 LEU HBy 1.0 . 4.65 88 86 B 304 VAL HA B 307 LEU HBy 1.0 . 4.65 89 87 A 102 ARG HA A 104 VAL H 1.0 . 4.92 90 88 A 102 ARG HA A 106 THR H 1.0 . 5.50 91 89 B 302 ARG HA B 304 VAL H 1.0 . 4.92 92 90 B 302 ARG HA B 306 THR H 1.0 . 5.50 93 91 A 102 ARG HA A 105 ASP HBx 1.0 . 4.91 94 92 B 302 ARG HA B 305 ASP HBx 1.0 . 4.91 95 93 A 101 LYS HA A 104 VAL HB 1.0 . 4.50 96 94 B 301 LYS HA B 304 VAL HB 1.0 . 4.50 97 95 A 101 LYS HA A 104 VAL HGy% 1.0 . 5.07 98 96 B 301 LYS HA B 304 VAL HG21 1.0 . 5.07 99 97 A 34 ARG HA A 32 LEU HDx% 1.0 . 5.06 100 98 A 70 VAL HGx% A 71 ILE HA 1.0 . 5.09 101 99 B 234 ARG HA B 232 LEU HD11 1.0 . 5.06 102 100 B 270 VAL HG11 B 271 ILE HA 1.0 . 5.09 103 101 A 94 LYS HA A 97 TRP HA 1.0 . 5.49 104 102 B 294 LYS HA B 297 TRP HA 1.0 . 5.49 105 103 A 97 TRP HA A 93 LEU HDx% 1.0 . 4.51 106 104 B 297 TRP HA B 293 LEU HD11 1.0 . 4.51 107 105 A 95 ALA HA A 99 THR H 1.0 . 5.50 108 106 B 295 ALA HA B 299 THR H 1.0 . 5.50 109 107 A 95 ALA HA A 96 GLU HGx 1.0 . 5.25 110 107 A 95 ALA HA A 96 GLU HGy 1.0 . 5.25 111 108 B 295 ALA HA B 296 GLU HGx 1.0 . 5.25 112 108 B 295 ALA HA B 296 GLU HGy 1.0 . 5.25 113 109 A 95 ALA HA A 98 GLU HBx 1.0 . 4.85 114 110 B 295 ALA HA B 298 GLU HBx 1.0 . 4.85 115 111 A 95 ALA HA A 98 GLU HGx 1.0 . 4.81 116 111 A 95 ALA HA A 98 GLU HGy 1.0 . 4.81 117 112 B 295 ALA HA B 298 GLU HGx 1.0 . 4.81 118 112 B 295 ALA HA B 298 GLU HGy 1.0 . 4.81 119 113 A 95 ALA HA A 98 GLU HBy 1.0 . 5.33 120 114 B 295 ALA HA B 298 GLU HBy 1.0 . 5.33 121 115 A 95 ALA HA A 94 LYS HBx 1.0 . 4.85 122 115 A 95 ALA HA A 94 LYS HBy 1.0 . 4.85 123 116 B 295 ALA HA B 294 LYS HBx 1.0 . 4.85 124 116 B 295 ALA HA B 294 LYS HBy 1.0 . 4.85 125 117 A 49 GLY H A 83 ILE HA 1.0 . 5.50 126 118 B 249 GLY H B 283 ILE HA 1.0 . 5.50 127 119 A 94 LYS HA A 93 LEU HDx% 1.0 . 5.01 128 120 B 294 LYS HA B 293 LEU HD11 1.0 . 5.01 129 121 A 94 LYS HA A 93 LEU HA 1.0 . 4.91 130 122 A 83 ILE HA A 84 SER HBx 1.0 . 5.50 131 122 A 83 ILE HA A 84 SER HBy 1.0 . 5.50 132 123 B 294 LYS HA B 293 LEU HA 1.0 . 4.91 133 124 B 283 ILE HA B 284 SER HBx 1.0 . 5.50 134 124 B 283 ILE HA B 284 SER HBy 1.0 . 5.50 135 125 A 94 LYS HA A 93 LEU HBx 1.0 . 5.27 136 126 B 294 LYS HA B 293 LEU HBx 1.0 . 5.27 137 127 A 97 TRP HA A 93 LEU HA 1.0 . 5.50 138 128 A 25 SER HA A 26 THR HA 1.0 . 5.50 139 129 A 97 TRP HA A 96 GLU HA 1.0 . 5.50 140 130 B 297 TRP HA B 293 LEU HA 1.0 . 5.50 141 131 B 225 SER HA B 226 THR HA 1.0 . 5.50 142 132 B 297 TRP HA B 296 GLU HA 1.0 . 5.50 143 133 A 96 GLU HA A 95 ALA HB% 1.0 . 5.21 144 134 A 25 SER HA A 26 THR HG2% 1.0 . 5.50 145 135 A 93 LEU HA A 95 ALA HB% 1.0 . 5.50 146 136 B 296 GLU HA B 295 ALA HB1 1.0 . 5.21 147 137 B 225 SER HA B 226 THR HG21 1.0 . 5.50 148 138 B 293 LEU HA B 295 ALA HB1 1.0 . 5.50 149 139 A 93 LEU HDx% A 93 LEU HA 1.0 . 4.65 150 140 B 293 LEU HD11 B 293 LEU HA 1.0 . 4.65 151 141 A 93 LEU HA A 96 GLU HGx 1.0 . 4.80 152 141 A 96 GLU HGy A 93 LEU HA 1.0 . 4.80 153 142 B 293 LEU HA B 296 GLU HGx 1.0 . 4.80 154 142 B 296 GLU HGy B 293 LEU HA 1.0 . 4.80 155 143 A 92 THR HA A 95 ALA H 1.0 . 4.75 156 144 B 292 THR HA B 295 ALA H 1.0 . 4.75 157 145 A 95 ALA HB% A 92 THR HA 1.0 . 4.54 158 146 B 295 ALA HB1 B 292 THR HA 1.0 . 4.54 159 147 A 91 ALA HA A 94 LYS HBx 1.0 . 4.99 160 147 A 94 LYS HBy A 91 ALA HA 1.0 . 4.99 161 148 A 91 ALA HA A 90 LEU HBy 1.0 . 5.50 162 149 B 291 ALA HA B 294 LYS HBx 1.0 . 4.99 163 149 B 294 LYS HBy B 291 ALA HA 1.0 . 4.99 164 150 B 291 ALA HA B 290 LEU HBy 1.0 . 5.50 165 151 A 89 ASN HA A 92 THR H 1.0 . 5.02 166 152 B 289 ASN HA B 292 THR H 1.0 . 5.02 167 153 A 89 ASN HA A 92 THR HB 1.0 . 4.76 168 154 B 289 ASN HA B 292 THR HB 1.0 . 4.76 169 155 A 89 ASN HA A 88 GLU HBx 1.0 . 4.95 170 156 B 289 ASN HA B 288 GLU HBx 1.0 . 4.95 171 157 A 89 ASN HA A 91 ALA HB% 1.0 . 5.33 172 158 B 289 ASN HA B 291 ALA HB1 1.0 . 5.33 173 159 A 99 THR HG2% A 127 SER HBx 1.0 . 5.35 174 159 A 99 THR HG2% A 127 SER HBy 1.0 . 5.35 175 160 B 299 THR HG21 B 327 SER HBx 1.0 . 5.35 176 160 B 299 THR HG21 B 327 SER HBy 1.0 . 5.35 177 161 A 87 ALA HA A 90 LEU HDy% 1.0 . 4.96 178 162 B 287 ALA HA B 290 LEU HD21 1.0 . 4.96 179 163 A 86 SER HA A 87 ALA HB% 1.0 . 5.31 180 164 B 286 SER HA B 287 ALA HB1 1.0 . 5.31 181 165 A 86 SER HA A 47 VAL HGy% 1.0 . 5.50 182 166 A 86 SER HA A 44 LEU HDx% 1.0 . 5.50 183 167 B 286 SER HA B 247 VAL HG21 1.0 . 5.50 184 168 B 286 SER HA B 244 LEU HD11 1.0 . 5.50 185 169 A 83 ILE HB A 84 SER HA 1.0 . 5.05 186 170 B 283 ILE HB B 284 SER HA 1.0 . 5.05 187 171 A 49 GLY H A 84 SER HA 1.0 . 5.50 188 172 B 249 GLY H B 284 SER HA 1.0 . 5.50 189 173 A 83 ILE HA A 82 VAL HA 1.0 . 5.21 190 174 A 83 ILE HA A 48 SER HA 1.0 . 5.50 191 175 B 283 ILE HA B 282 VAL HA 1.0 . 5.21 192 176 B 283 ILE HA B 248 SER HA 1.0 . 5.50 193 177 B 283 ILE HA A 79 ILE HA 1.0 . 4.59 194 178 A 83 ILE HA B 279 ILE HA 1.0 . 4.59 195 179 A 79 ILE HA A 80 ARG HA 1.0 . 5.50 196 180 A 79 ILE HA A 78 SER HA 1.0 . 5.50 197 181 B 279 ILE HA B 280 ARG HA 1.0 . 5.50 198 182 B 279 ILE HA B 278 SER HA 1.0 . 5.50 199 183 A 79 ILE HA A 79 ILE HD1% 1.0 . 5.50 200 184 B 279 ILE HA B 279 ILE HD11 1.0 . 5.50 201 185 B 279 ILE HA A 83 ILE HG2% 1.0 . 5.50 202 186 B 279 ILE HA A 83 ILE HG1y 1.0 . 5.50 203 187 B 279 ILE HA A 83 ILE HG1x 1.0 . 5.50 204 188 A 79 ILE HA B 283 ILE HG21 1.0 . 5.50 205 189 A 79 ILE HA B 283 ILE HG1y 1.0 . 5.50 206 190 A 79 ILE HA B 283 ILE HG1x 1.0 . 5.50 207 191 A 78 SER HA A 54 VAL HA 1.0 . 4.53 208 192 B 278 SER HA B 254 VAL HA 1.0 . 4.53 209 193 A 78 SER HA A 79 ILE HG1x 1.0 . 5.50 210 194 B 278 SER HA B 279 ILE HG1x 1.0 . 5.50 211 195 A 78 SER HA A 79 ILE HB 1.0 . 4.78 212 196 B 278 SER HA B 279 ILE HB 1.0 . 4.78 213 197 A 44 LEU HDx% B 275 GLU HA 1.0 . 5.50 214 198 B 275 GLU HA A 44 LEU HDy% 1.0 . 5.50 215 199 B 244 LEU HD11 A 75 GLU HA 1.0 . 5.50 216 200 A 75 GLU HA B 244 LEU HD21 1.0 . 5.50 217 201 A 74 ASN HA A 59 ALA H 1.0 . 4.88 218 202 B 274 ASN HA B 259 ALA H 1.0 . 4.88 219 203 A 74 ASN HA A 59 ALA HB% 1.0 . 5.40 220 204 B 274 ASN HA B 259 ALA HB1 1.0 . 5.40 221 205 A 59 ALA H A 73 PRO HA 1.0 . 5.06 222 206 A 73 PRO HA A 72 MET H 1.0 . 5.31 223 207 B 259 ALA H B 273 PRO HA 1.0 . 5.06 224 208 B 273 PRO HA B 272 MET H 1.0 . 5.31 225 209 A 67 ASP HA A 68 ALA HA 1.0 . 4.84 226 210 B 267 ASP HA B 268 ALA HA 1.0 . 4.84 227 211 A 65 CYS HA A 67 ASP H 1.0 . 4.76 228 212 B 265 CYS HA B 267 ASP H 1.0 . 4.76 229 213 A 52 VAL HB A 53 SER HA 1.0 . 5.29 230 214 B 252 VAL HB B 253 SER HA 1.0 . 5.29 231 215 A 53 SER HA A 54 VAL HGy% 1.0 . 5.50 232 216 A 53 SER HA A 52 VAL HGx% 1.0 . 5.50 233 217 A 53 SER HA A 52 VAL HGy% 1.0 . 5.50 234 218 B 253 SER HA B 254 VAL HG21 1.0 . 5.50 235 219 B 253 SER HA B 252 VAL HG11 1.0 . 5.50 236 220 B 253 SER HA B 252 VAL HG21 1.0 . 5.50 237 221 A 31 SER H A 51 TYR HA 1.0 . 5.25 238 222 B 231 SER H B 251 TYR HA 1.0 . 5.25 239 223 A 51 TYR HA A 50 GLN HGx 1.0 . 5.49 240 223 A 51 TYR HA A 50 GLN HGy 1.0 . 5.49 241 224 A 52 VAL HB A 51 TYR HA 1.0 . 5.50 242 225 B 251 TYR HA B 250 GLN HGx 1.0 . 5.49 243 225 B 251 TYR HA B 250 GLN HGy 1.0 . 5.49 244 226 B 252 VAL HB B 251 TYR HA 1.0 . 5.50 245 227 A 52 VAL HGx% A 51 TYR HA 1.0 . 5.32 246 228 A 52 VAL HGy% A 51 TYR HA 1.0 . 5.50 247 229 B 252 VAL HG11 B 251 TYR HA 1.0 . 5.32 248 230 B 252 VAL HG21 B 251 TYR HA 1.0 . 5.50 249 231 A 82 VAL HA A 50 GLN HA 1.0 . 4.70 250 232 B 282 VAL HA B 250 GLN HA 1.0 . 4.70 251 233 A 50 GLN HA A 82 VAL HGy% 1.0 . 5.50 252 234 B 250 GLN HA B 282 VAL HG21 1.0 . 5.50 253 235 A 115 LEU HDy% A 116 GLY HAx 1.0 . 5.44 254 236 B 315 LEU HD21 B 316 GLY HAx 1.0 . 5.44 255 237 A 84 SER HA A 48 SER HA 1.0 . 4.73 256 238 B 284 SER HA B 248 SER HA 1.0 . 4.73 257 239 A 48 SER HA A 49 GLY HAy 1.0 . 4.68 258 240 B 248 SER HA B 249 GLY HAy 1.0 . 4.68 259 241 A 29 SER HA A 30 ALA HB% 1.0 . 5.50 260 242 A 83 ILE HB A 48 SER HA 1.0 . 5.29 261 243 B 229 SER HA B 230 ALA HB1 1.0 . 5.50 262 244 B 283 ILE HB B 248 SER HA 1.0 . 5.29 263 245 A 29 SER HA A 30 ALA HA 1.0 . 4.83 264 246 B 229 SER HA B 230 ALA HA 1.0 . 4.83 265 247 A 126 SER H B 205 PRO HA 1.0 . 4.96 266 248 A 4 LYS H A 5 PRO HA 1.0 . 5.50 267 249 A 5 PRO HA B 326 SER H 1.0 . 4.96 268 250 B 205 PRO HA B 204 LYS H 1.0 . 5.50 269 251 B 205 PRO HA A 125 VAL HGx% 1.0 . 4.86 270 252 A 5 PRO HA B 325 VAL HG11 1.0 . 4.86 271 253 A 65 CYS HA A 66 ALA HB% 1.0 . 5.16 272 254 B 265 CYS HA B 266 ALA HB1 1.0 . 5.16 273 255 A 44 LEU HA A 87 ALA H 1.0 . 4.87 274 256 B 244 LEU HA B 287 ALA H 1.0 . 4.87 275 257 A 87 ALA HB% A 44 LEU HA 1.0 . 5.50 276 258 B 287 ALA HB1 B 244 LEU HA 1.0 . 5.50 277 259 A 44 LEU HDy% A 44 LEU HA 1.0 . 5.17 278 260 A 44 LEU HDx% A 44 LEU HA 1.0 . 5.33 279 261 B 244 LEU HD21 B 244 LEU HA 1.0 . 5.17 280 262 B 244 LEU HD11 B 244 LEU HA 1.0 . 5.33 281 263 A 41 ILE HA A 42 ALA HB% 1.0 . 5.15 282 264 B 241 ILE HA B 242 ALA HB1 1.0 . 5.15 283 265 A 119 ASP HA A 120 PRO HGx 1.0 . 5.22 284 265 A 119 ASP HA A 120 PRO HGy 1.0 . 5.22 285 266 B 319 ASP HA B 320 PRO HGx 1.0 . 5.22 286 266 B 319 ASP HA B 320 PRO HGy 1.0 . 5.22 287 267 A 29 SER HA A 17 VAL HB 1.0 . 5.07 288 268 B 229 SER HA B 217 VAL HB 1.0 . 5.07 289 269 A 29 SER HA A 17 VAL HGx% 1.0 . 4.98 290 270 B 229 SER HA B 217 VAL HG11 1.0 . 4.98 291 271 A 17 VAL HB A 28 PHE HA 1.0 . 5.39 292 272 A 52 VAL HB A 28 PHE HA 1.0 . 5.50 293 273 B 217 VAL HB B 228 PHE HA 1.0 . 5.39 294 274 B 252 VAL HB B 228 PHE HA 1.0 . 5.50 295 275 A 26 THR HA A 27 THR HA 1.0 . 5.00 296 276 B 226 THR HA B 227 THR HA 1.0 . 5.00 297 277 A 27 THR HA A 19 SER HBx 1.0 . 5.50 298 277 A 27 THR HA A 19 SER HBy 1.0 . 5.50 299 278 B 227 THR HA B 219 SER HBx 1.0 . 5.50 300 278 B 227 THR HA B 219 SER HBy 1.0 . 5.50 301 279 A 28 PHE HA A 27 THR HA 1.0 . 5.50 302 280 B 228 PHE HA B 227 THR HA 1.0 . 5.50 303 281 A 7 GLN HA A 8 PRO HGx 1.0 . 4.93 304 281 A 7 GLN HA A 8 PRO HGy 1.0 . 4.93 305 282 B 207 GLN HA B 208 PRO HGx 1.0 . 4.93 306 282 B 207 GLN HA B 208 PRO HGy 1.0 . 4.93 307 283 A 7 GLN HA A 8 PRO HBx 1.0 . 5.33 308 284 B 207 GLN HA B 208 PRO HBy 1.0 . 5.33 309 285 A 20 ASP HA A 24 LEU H 1.0 . 5.50 310 286 A 20 ASP HA A 7 GLN H 1.0 . 5.50 311 287 B 220 ASP HA B 224 LEU H 1.0 . 5.50 312 288 B 220 ASP HA B 207 GLN H 1.0 . 5.50 313 289 A 20 ASP HA A 19 SER HBx 1.0 . 5.50 314 289 A 19 SER HBy A 20 ASP HA 1.0 . 5.50 315 290 B 220 ASP HA B 219 SER HBx 1.0 . 5.50 316 290 B 219 SER HBy B 220 ASP HA 1.0 . 5.50 317 291 A 58 PRO HA A 59 ALA HA 1.0 . 4.70 318 292 B 258 PRO HA B 259 ALA HA 1.0 . 4.70 319 293 A 59 ALA HA A 58 PRO HBy 1.0 . 4.75 320 294 B 259 ALA HA B 258 PRO HBy 1.0 . 4.75 321 295 A 122 ALA HA A 124 ILE H 1.0 . 4.98 322 296 B 322 ALA HA B 324 ILE H 1.0 . 4.98 323 297 A 80 ARG HA A 79 ILE HB 1.0 . 4.91 324 298 B 280 ARG HA B 279 ILE HB 1.0 . 4.91 325 299 A 80 ARG HA A 51 TYR H 1.0 . 5.33 326 300 B 280 ARG HA B 251 TYR H 1.0 . 5.33 327 301 A 28 PHE HA A 54 VAL H 1.0 . 5.50 328 302 B 228 PHE HA B 254 VAL H 1.0 . 5.50 329 303 A 85 GLY HAx A 84 SER HA 1.0 . 5.13 330 304 B 285 GLY HAy B 284 SER HA 1.0 . 5.13 331 305 A 29 SER HA A 18 TRP H 1.0 . 5.30 332 306 B 229 SER HA B 218 TRP H 1.0 . 5.30 333 307 A 78 SER HA A 79 ILE HD1% 1.0 . 5.50 334 308 A 19 SER HA A 27 THR HG2% 1.0 . 5.50 335 309 B 278 SER HA B 279 ILE HD11 1.0 . 5.50 336 310 B 219 SER HA B 227 THR HG21 1.0 . 5.50 337 311 A 19 SER HA A 20 ASP HBy 1.0 . 4.95 338 312 B 219 SER HA B 220 ASP HBy 1.0 . 4.95 339 313 A 51 TYR HA A 30 ALA HB% 1.0 . 5.50 340 314 A 30 ALA HB% A 31 SER HA 1.0 . 5.50 341 315 B 251 TYR HA B 230 ALA HB1 1.0 . 5.50 342 316 B 230 ALA HB1 B 231 SER HA 1.0 . 5.50 343 317 A 51 TYR HA A 50 GLN H 1.0 . 5.15 344 318 A 31 SER HA A 50 GLN H 1.0 . 5.50 345 319 B 251 TYR HA B 250 GLN H 1.0 . 5.15 346 320 B 231 SER HA B 250 GLN H 1.0 . 5.50 347 321 A 102 ARG HGx A 103 ASN HA 1.0 . 4.91 348 322 B 302 ARG HGx B 303 ASN HA 1.0 . 4.91 349 323 A 59 ALA HB% A 72 MET HA 1.0 . 5.50 350 324 B 259 ALA HB1 B 272 MET HA 1.0 . 5.50 351 325 A 32 LEU HA A 32 LEU HDx% 1.0 . 5.22 352 326 B 232 LEU HA B 232 LEU HD11 1.0 . 5.22 353 327 A 32 LEU HA A 49 GLY HAy 1.0 . 4.78 354 328 B 232 LEU HA B 249 GLY HAy 1.0 . 4.78 355 329 A 32 LEU HA A 50 GLN HBx 1.0 . 4.89 356 330 B 232 LEU HA B 250 GLN HBx 1.0 . 4.89 357 331 A 75 GLU HA A 76 ASN HBy 1.0 . 5.50 358 332 A 75 GLU HA A 74 ASN HBy 1.0 . 5.50 359 333 B 275 GLU HA B 276 ASN HBy 1.0 . 5.50 360 334 B 275 GLU HA B 274 ASN HBy 1.0 . 5.50 361 335 A 67 ASP HA A 68 ALA HB% 1.0 . 5.36 362 336 B 267 ASP HA B 268 ALA HB1 1.0 . 5.36 363 337 A 115 LEU HA A 115 LEU HDy% 1.0 . 5.50 364 338 B 315 LEU HA B 315 LEU HD21 1.0 . 5.50 365 339 A 126 SER HA A 102 ARG HBx 1.0 . 4.98 366 339 A 126 SER HA A 102 ARG HBy 1.0 . 4.98 367 340 A 5 PRO HBx A 6 MET HA 1.0 . 5.03 368 341 B 326 SER HA B 302 ARG HBx 1.0 . 4.98 369 341 B 326 SER HA B 302 ARG HBy 1.0 . 4.98 370 342 B 205 PRO HBy B 206 MET HA 1.0 . 5.03 371 343 A 5 PRO HA A 6 MET HA 1.0 . 5.24 372 344 A 46 ASN HA A 47 VAL HA 1.0 . 5.50 373 345 B 205 PRO HA B 206 MET HA 1.0 . 5.24 374 346 B 246 ASN HA B 247 VAL HA 1.0 . 5.50 375 347 A 6 MET HA A 5 PRO HGx 1.0 . 5.50 376 347 A 6 MET HA A 5 PRO HGy 1.0 . 5.50 377 348 B 206 MET HA B 205 PRO HGx 1.0 . 5.50 378 348 B 206 MET HA B 205 PRO HGy 1.0 . 5.50 379 349 A 3 ASN HA A 4 LYS HA 1.0 . 5.26 380 350 B 277 GLN HA A 85 GLY HAy 1.0 . 5.46 381 351 B 203 ASN HA B 204 LYS HA 1.0 . 5.26 382 352 A 77 GLN HA B 285 GLY HAx 1.0 . 5.46 383 353 A 3 ASN HA A 4 LYS HBx 1.0 . 4.63 384 353 A 3 ASN HA A 4 LYS HBy 1.0 . 4.63 385 354 B 203 ASN HA B 204 LYS HBx 1.0 . 4.63 386 354 B 203 ASN HA B 204 LYS HBy 1.0 . 4.63 387 355 A 47 VAL HGy% A 46 ASN HA 1.0 . 5.48 388 356 B 247 VAL HG21 B 246 ASN HA 1.0 . 5.48 389 357 A 22 THR H A 23 ARG HA 1.0 . 4.92 390 358 A 24 LEU HA A 26 THR H 1.0 . 5.50 391 359 B 222 THR H B 223 ARG HA 1.0 . 4.92 392 360 B 224 LEU HA B 226 THR H 1.0 . 5.50 393 361 A 96 GLU HA A 100 HIS H 1.0 . 5.50 394 362 B 296 GLU HA B 300 HIS H 1.0 . 5.50 395 363 A 90 LEU HDy% A 90 LEU HA 1.0 . 5.50 396 364 A 90 LEU HA A 90 LEU HDx% 1.0 . 5.50 397 365 B 290 LEU HD21 B 290 LEU HA 1.0 . 5.50 398 366 B 290 LEU HA B 290 LEU HD11 1.0 . 5.50 399 367 A 8 PRO HA A 18 TRP HA 1.0 . 4.61 400 368 B 208 PRO HA B 218 TRP HA 1.0 . 4.61 401 369 A 17 VAL HGx% A 18 TRP HA 1.0 . 5.42 402 370 B 217 VAL HG11 B 218 TRP HA 1.0 . 5.42 403 371 A 97 TRP HA A 97 TRP HE3 1.0 . 5.50 404 372 B 297 TRP HA B 297 TRP HE3 1.0 . 5.50 405 373 A 108 PHE HA A 110 SER H 1.0 . 4.24 406 374 B 308 PHE HA B 310 SER H 1.0 . 4.24 407 375 A 17 VAL HGx% A 16 ILE HA 1.0 . 5.19 408 376 A 100 HIS HA A 103 ASN HBx 1.0 . 5.50 409 377 B 217 VAL HG11 B 216 ILE HA 1.0 . 5.19 410 378 B 300 HIS HA B 303 ASN HBx 1.0 . 5.50 411 379 A 16 ILE HA A 17 VAL HA 1.0 . 5.03 412 380 B 216 ILE HA B 217 VAL HA 1.0 . 5.03 413 381 A 127 SER HA A 102 ARG HGx 1.0 . 5.50 414 382 A 127 SER HA A 102 ARG HGy 1.0 . 5.50 415 383 B 327 SER HA B 302 ARG HGx 1.0 . 5.50 416 384 B 327 SER HA B 302 ARG HGy 1.0 . 5.50 417 385 A 54 VAL HA A 79 ILE H 1.0 . 5.30 418 386 B 254 VAL HA B 279 ILE H 1.0 . 5.30 419 387 A 59 ALA HB% A 73 PRO HA 1.0 . 5.03 420 388 B 273 PRO HA A 42 ALA HB% 1.0 . 5.50 421 389 B 259 ALA HB1 B 273 PRO HA 1.0 . 5.03 422 390 A 73 PRO HA B 242 ALA HB1 1.0 . 5.50 423 391 A 58 PRO HA A 59 ALA HB% 1.0 . 5.42 424 392 B 258 PRO HA B 259 ALA HB1 1.0 . 5.42 425 393 A 17 VAL HB A 27 THR HB 1.0 . 5.01 426 394 B 217 VAL HB B 227 THR HB 1.0 . 5.01 427 395 A 17 VAL HGx% A 27 THR HB 1.0 . 5.50 428 396 A 54 VAL HGy% A 27 THR HB 1.0 . 5.50 429 397 B 217 VAL HG11 B 227 THR HB 1.0 . 5.50 430 398 B 254 VAL HG21 B 227 THR HB 1.0 . 5.50 431 399 A 28 PHE HA A 27 THR HB 1.0 . 4.47 432 400 B 228 PHE HA B 227 THR HB 1.0 . 4.47 433 401 A 54 VAL H A 27 THR HB 1.0 . 5.50 434 402 B 254 VAL H B 227 THR HB 1.0 . 5.50 435 403 A 121 THR HB A 122 ALA H 1.0 . 4.89 436 404 B 321 THR HB B 322 ALA H 1.0 . 4.89 437 405 A 106 THR HB A 124 ILE HA 1.0 . 4.73 438 406 B 306 THR HB B 324 ILE HA 1.0 . 4.73 439 407 A 122 ALA H A 120 PRO HDx 1.0 . 5.48 440 407 A 122 ALA H A 120 PRO HDy 1.0 . 5.48 441 408 A 119 ASP H A 120 PRO HDx 1.0 . 5.50 442 408 A 120 PRO HDy A 119 ASP H 1.0 . 5.50 443 409 B 322 ALA H B 320 PRO HDx 1.0 . 5.48 444 409 B 322 ALA H B 320 PRO HDy 1.0 . 5.48 445 410 B 319 ASP H B 320 PRO HDx 1.0 . 5.50 446 410 B 320 PRO HDy B 319 ASP H 1.0 . 5.50 447 411 A 124 ILE HD1% A 125 VAL HGy% 1.0 . 5.50 448 412 B 324 ILE HD11 B 325 VAL HG21 1.0 . 5.50 449 413 A 106 THR HG2% A 124 ILE HD1% 1.0 . 5.50 450 414 A 124 ILE HD1% A 103 ASN HBx 1.0 . 5.50 451 415 B 306 THR HG21 B 324 ILE HD11 1.0 . 5.50 452 416 B 324 ILE HD11 B 303 ASN HBx 1.0 . 5.50 453 417 A 102 ARG HGx A 124 ILE HD1% 1.0 . 5.50 454 418 B 302 ARG HGx B 324 ILE HD11 1.0 . 5.50 455 419 A 83 ILE HG2% A 83 ILE HD1% 1.0 . 5.50 456 420 B 283 ILE HG21 B 283 ILE HD11 1.0 . 5.50 457 421 A 122 ALA HA A 123 ALA HB% 1.0 . 5.50 458 422 B 322 ALA HA B 323 ALA HB1 1.0 . 5.50 459 423 A 59 ALA HB% A 73 PRO HGx 1.0 . 5.50 460 424 B 259 ALA HB1 B 273 PRO HGx 1.0 . 5.50 461 425 A 124 ILE HD1% A 124 ILE HG2% 1.0 . 5.50 462 426 B 324 ILE HD11 B 324 ILE HG21 1.0 . 5.50 463 427 A 41 ILE HG2% A 42 ALA HA 1.0 . 5.50 464 428 B 241 ILE HG21 B 242 ALA HA 1.0 . 5.50 465 429 A 109 ALA HB% A 108 PHE HA 1.0 . 5.50 466 430 A 109 ALA HB% A 106 THR HA 1.0 . 5.50 467 431 A 109 ALA HB% A 105 ASP HA 1.0 . 5.50 468 432 B 309 ALA HB1 B 308 PHE HA 1.0 . 5.50 469 433 B 309 ALA HB1 B 306 THR HA 1.0 . 5.50 470 434 B 309 ALA HB1 B 305 ASP HA 1.0 . 5.50 471 435 A 107 LEU HDx% A 122 ALA HB% 1.0 . 5.50 472 436 A 42 ALA HB% A 41 ILE HG2% 1.0 . 5.50 473 437 B 307 LEU HD11 B 322 ALA HB1 1.0 . 5.50 474 438 B 242 ALA HB1 B 241 ILE HG21 1.0 . 5.50 475 439 A 122 ALA HB% A 123 ALA H 1.0 . 5.03 476 440 B 322 ALA HB1 B 323 ALA H 1.0 . 5.03 477 441 A 104 VAL HGy% A 103 ASN HBx 1.0 . 5.50 478 442 B 304 VAL HG21 B 303 ASN HBx 1.0 . 5.50 479 443 A 104 VAL HGy% A 102 ARG H 1.0 . 5.50 480 444 A 107 LEU H A 104 VAL HGy% 1.0 . 5.50 481 445 B 304 VAL HG21 B 302 ARG H 1.0 . 5.50 482 446 B 307 LEU H B 304 VAL HG21 1.0 . 5.50 483 447 A 26 THR HA A 27 THR HG2% 1.0 . 5.33 484 448 B 226 THR HA B 227 THR HG21 1.0 . 5.33 485 449 A 82 VAL HGx% A 84 SER HBx 1.0 . 5.50 486 449 A 84 SER HBy A 82 VAL HGx% 1.0 . 5.50 487 450 A 82 VAL HGy% A 84 SER HBx 1.0 . 5.50 488 450 A 84 SER HBy A 82 VAL HGy% 1.0 . 5.50 489 451 B 282 VAL HG11 B 284 SER HBx 1.0 . 5.50 490 451 B 284 SER HBy B 282 VAL HG11 1.0 . 5.50 491 452 B 282 VAL HG21 B 284 SER HBx 1.0 . 5.50 492 452 B 284 SER HBy B 282 VAL HG21 1.0 . 5.50 493 453 A 82 VAL HGy% A 50 GLN HGx 1.0 . 5.23 494 453 A 50 GLN HGy A 82 VAL HGy% 1.0 . 5.23 495 454 B 282 VAL HG21 B 250 GLN HGx 1.0 . 5.23 496 454 B 250 GLN HGy B 282 VAL HG21 1.0 . 5.23 497 455 A 17 VAL HGx% A 18 TRP H 1.0 . 5.50 498 456 B 217 VAL HG11 B 218 TRP H 1.0 . 5.50 499 457 A 83 ILE HA A 82 VAL HGx% 1.0 . 5.50 500 458 A 83 ILE HA A 82 VAL HGy% 1.0 . 5.50 501 459 A 70 VAL HGx% A 69 CYS HA 1.0 . 5.50 502 460 B 283 ILE HA B 282 VAL HG11 1.0 . 5.50 503 461 B 283 ILE HA B 282 VAL HG21 1.0 . 5.50 504 462 B 270 VAL HG11 B 269 CYS HA 1.0 . 5.50 505 463 A 78 SER HA A 54 VAL HGx% 1.0 . 5.50 506 464 A 78 SER HA A 54 VAL HGy% 1.0 . 5.50 507 465 B 278 SER HA B 254 VAL HG11 1.0 . 5.50 508 466 B 278 SER HA B 254 VAL HG21 1.0 . 5.50 509 467 A 54 VAL HGy% A 54 VAL H 1.0 . 5.50 510 468 B 254 VAL HG21 B 254 VAL H 1.0 . 5.50 511 469 A 106 THR HG2% A 124 ILE HA 1.0 . 5.50 512 470 B 306 THR HG21 B 324 ILE HA 1.0 . 5.50 513 471 A 106 THR HG2% A 122 ALA HB% 1.0 . 5.50 514 472 A 106 THR HG2% A 123 ALA HB% 1.0 . 5.50 515 473 B 306 THR HG21 B 322 ALA HB1 1.0 . 5.50 516 474 B 306 THR HG21 B 323 ALA HB1 1.0 . 5.50 517 475 A 49 GLY H A 83 ILE HB 1.0 . 5.24 518 476 B 249 GLY H B 283 ILE HB 1.0 . 5.24 519 477 A 42 ALA HB% A 41 ILE HB 1.0 . 5.24 520 478 B 242 ALA HB1 B 241 ILE HB 1.0 . 5.24 521 479 A 105 ASP HBx A 104 VAL HB 1.0 . 5.50 522 480 A 105 ASP HBx A 102 ARG HBx 1.0 . 5.50 523 480 A 105 ASP HBx A 102 ARG HBy 1.0 . 5.50 524 481 A 102 ARG HGy A 105 ASP HBx 1.0 . 5.50 525 482 B 305 ASP HBx B 304 VAL HB 1.0 . 5.50 526 483 B 305 ASP HBx B 302 ARG HBx 1.0 . 5.50 527 483 B 305 ASP HBx B 302 ARG HBy 1.0 . 5.50 528 484 B 302 ARG HGy B 305 ASP HBx 1.0 . 5.50 529 485 A 103 ASN HA A 105 ASP HBx 1.0 . 5.35 530 486 B 303 ASN HA B 305 ASP HBx 1.0 . 5.35 531 487 A 30 ALA HA A 51 TYR HBx 1.0 . 5.50 532 487 A 30 ALA HA A 51 TYR HBy 1.0 . 5.50 533 488 B 230 ALA HA B 251 TYR HBx 1.0 . 5.50 534 488 B 230 ALA HA B 251 TYR HBy 1.0 . 5.50 535 489 A 52 VAL H A 51 TYR HBx 1.0 . 5.50 536 489 A 51 TYR HBy A 52 VAL H 1.0 . 5.50 537 490 B 252 VAL H B 251 TYR HBx 1.0 . 5.50 538 490 B 251 TYR HBy B 252 VAL H 1.0 . 5.50 539 491 A 50 GLN HGy A 51 TYR HBx 1.0 . 5.29 540 491 A 50 GLN HGx A 51 TYR HBx 1.0 . 5.29 541 491 A 51 TYR HBy A 50 GLN HGx 1.0 . 5.29 542 491 A 50 GLN HGy A 51 TYR HBy 1.0 . 5.29 543 492 B 250 GLN HGx B 251 TYR HBx 1.0 . 5.29 544 492 B 250 GLN HGy B 251 TYR HBx 1.0 . 5.29 545 492 B 251 TYR HBy B 250 GLN HGx 1.0 . 5.29 546 492 B 250 GLN HGy B 251 TYR HBy 1.0 . 5.29 547 493 A 109 ALA HB% A 108 PHE HBy 1.0 . 5.50 548 494 B 309 ALA HB1 B 308 PHE HBy 1.0 . 5.50 549 495 A 109 ALA H A 108 PHE HBy 1.0 . 5.50 550 496 B 309 ALA H B 308 PHE HBy 1.0 . 5.50 551 497 A 59 ALA HB% A 74 ASN HBx 1.0 . 5.50 552 498 A 59 ALA HB% A 74 ASN HBy 1.0 . 5.50 553 499 B 259 ALA HB1 B 274 ASN HBx 1.0 . 5.50 554 500 B 259 ALA HB1 B 274 ASN HBy 1.0 . 5.50 555 501 A 109 ALA H A 108 PHE HBx 1.0 . 4.84 556 502 B 309 ALA H B 308 PHE HBx 1.0 . 4.84 557 503 A 110 SER H A 108 PHE HBx 1.0 . 5.50 558 504 B 310 SER H B 308 PHE HBx 1.0 . 5.50 559 505 A 32 LEU HDx% B 316 GLY HAx 1.0 . 5.23 560 506 B 232 LEU HD11 A 116 GLY HAx 1.0 . 5.23 561 507 A 102 ARG H A 102 ARG HDy 1.0 . 4.93 562 508 B 302 ARG H B 302 ARG HDy 1.0 . 4.93 563 509 A 119 ASP HBy A 120 PRO HGx 1.0 . 4.93 564 509 A 120 PRO HGy A 119 ASP HBy 1.0 . 4.93 565 510 B 319 ASP HBy B 320 PRO HGx 1.0 . 4.93 566 510 B 320 PRO HGy B 319 ASP HBy 1.0 . 4.93 567 511 A 119 ASP HBy A 121 THR HG2% 1.0 . 4.98 568 512 B 319 ASP HBy B 321 THR HG21 1.0 . 4.98 569 513 A 119 ASP HBx A 120 PRO HDx 1.0 . 5.06 570 513 A 120 PRO HDy A 119 ASP HBx 1.0 . 5.06 571 514 B 319 ASP HBx B 320 PRO HDx 1.0 . 5.06 572 514 B 320 PRO HDy B 319 ASP HBx 1.0 . 5.06 573 515 A 121 THR HG2% A 119 ASP HBx 1.0 . 5.50 574 516 B 321 THR HG21 B 319 ASP HBx 1.0 . 5.50 575 517 A 122 ALA H A 119 ASP HBx 1.0 . 5.38 576 518 B 322 ALA H B 319 ASP HBx 1.0 . 5.38 577 519 A 122 ALA HB% A 119 ASP HBx 1.0 . 5.09 578 520 A 68 ALA HB% A 67 ASP HBx 1.0 . 5.50 579 521 B 322 ALA HB1 B 319 ASP HBx 1.0 . 5.09 580 522 B 268 ALA HB1 B 267 ASP HBy 1.0 . 5.50 581 523 A 20 ASP HBx A 23 ARG HDx 1.0 . 4.54 582 524 B 220 ASP HBx B 223 ARG HDy 1.0 . 4.54 583 525 A 20 ASP HBx A 23 ARG HBy 1.0 . 4.70 584 526 B 220 ASP HBx B 223 ARG HBx 1.0 . 4.70 585 527 A 20 ASP HBx A 23 ARG HBx 1.0 . 5.50 586 528 B 220 ASP HBx B 223 ARG HBy 1.0 . 5.50 587 529 A 28 PHE HA A 54 VAL HB 1.0 . 5.43 588 530 A 54 VAL HB A 55 TYR HA 1.0 . 5.50 589 531 B 228 PHE HA B 254 VAL HB 1.0 . 5.43 590 532 B 254 VAL HB B 255 TYR HA 1.0 . 5.50 591 533 A 78 SER HA A 54 VAL HB 1.0 . 5.50 592 534 A 53 SER HA A 54 VAL HB 1.0 . 5.50 593 535 B 278 SER HA B 254 VAL HB 1.0 . 5.50 594 536 B 253 SER HA B 254 VAL HB 1.0 . 5.50 595 537 A 93 LEU H A 96 GLU HGx 1.0 . 4.94 596 537 A 96 GLU HGy A 93 LEU H 1.0 . 4.94 597 538 B 293 LEU H B 296 GLU HGx 1.0 . 4.94 598 538 B 296 GLU HGy B 293 LEU H 1.0 . 4.94 599 539 A 5 PRO HBy B 325 VAL HB 1.0 . 4.90 600 540 A 125 VAL HB B 205 PRO HBx 1.0 . 4.90 601 541 A 125 VAL HB A 126 SER HBx 1.0 . 5.27 602 541 A 125 VAL HB A 126 SER HBy 1.0 . 5.27 603 542 B 325 VAL HB A 5 PRO HDx 1.0 . 5.50 604 542 B 325 VAL HB A 5 PRO HDy 1.0 . 5.50 605 543 B 325 VAL HB B 326 SER HBx 1.0 . 5.27 606 543 B 325 VAL HB B 326 SER HBy 1.0 . 5.27 607 544 A 125 VAL HB B 205 PRO HDx 1.0 . 5.50 608 544 A 125 VAL HB B 205 PRO HDy 1.0 . 5.50 609 545 A 5 PRO HA B 325 VAL HB 1.0 . 5.50 610 546 B 205 PRO HA A 125 VAL HB 1.0 . 5.50 611 547 A 16 ILE HB A 30 ALA H 1.0 . 5.50 612 548 B 216 ILE HB B 230 ALA H 1.0 . 5.50 613 549 A 126 SER HA A 125 VAL HB 1.0 . 4.69 614 550 B 326 SER HA B 325 VAL HB 1.0 . 4.69 615 551 A 80 ARG HA A 52 VAL HB 1.0 . 5.35 616 552 A 29 SER HA A 16 ILE HB 1.0 . 5.50 617 553 B 280 ARG HA B 252 VAL HB 1.0 . 5.35 618 554 B 229 SER HA B 216 ILE HB 1.0 . 5.50 619 555 A 82 VAL HGx% A 50 GLN HGx 1.0 . 5.50 620 555 A 50 GLN HGy A 82 VAL HGx% 1.0 . 5.50 621 556 B 282 VAL HG11 B 250 GLN HGx 1.0 . 5.50 622 556 B 250 GLN HGy B 282 VAL HG11 1.0 . 5.50 623 557 A 79 ILE HA A 80 ARG HBx 1.0 . 5.01 624 557 A 79 ILE HA A 80 ARG HBy 1.0 . 5.01 625 558 B 279 ILE HA B 280 ARG HBx 1.0 . 5.01 626 558 B 279 ILE HA B 280 ARG HBy 1.0 . 5.01 627 559 A 50 GLN HA A 82 VAL HB 1.0 . 5.50 628 560 B 250 GLN HA B 282 VAL HB 1.0 . 5.50 629 561 A 82 VAL HA A 50 GLN HGx 1.0 . 5.50 630 561 A 82 VAL HA A 50 GLN HGy 1.0 . 5.50 631 562 B 282 VAL HA B 250 GLN HGx 1.0 . 5.50 632 562 B 282 VAL HA B 250 GLN HGy 1.0 . 5.50 633 563 A 82 VAL HB A 83 ILE H 1.0 . 5.41 634 564 A 83 ILE H A 50 GLN HGx 1.0 . 5.50 635 564 A 50 GLN HGy A 83 ILE H 1.0 . 5.50 636 565 B 282 VAL HB B 283 ILE H 1.0 . 5.41 637 566 B 283 ILE H B 250 GLN HGx 1.0 . 5.50 638 566 B 250 GLN HGy B 283 ILE H 1.0 . 5.50 639 567 A 98 GLU H A 98 GLU HGx 1.0 . 5.16 640 567 A 98 GLU HGy A 98 GLU H 1.0 . 5.16 641 568 B 298 GLU H B 298 GLU HGx 1.0 . 5.16 642 568 B 298 GLU HGy B 298 GLU H 1.0 . 5.16 643 569 A 92 THR HA A 96 GLU HGx 1.0 . 5.50 644 569 A 96 GLU HGy A 92 THR HA 1.0 . 5.50 645 570 B 292 THR HA B 296 GLU HGx 1.0 . 5.50 646 570 B 296 GLU HGy B 292 THR HA 1.0 . 5.50 647 571 A 27 THR HB A 54 VAL HB 1.0 . 4.98 648 572 B 227 THR HB B 254 VAL HB 1.0 . 4.98 649 573 A 20 ASP HBx A 21 PRO HBx 1.0 . 5.50 650 574 A 69 CYS HBy A 70 VAL HB 1.0 . 5.50 651 575 B 220 ASP HBx B 221 PRO HBx 1.0 . 5.50 652 576 B 269 CYS HBy B 270 VAL HB 1.0 . 5.50 653 577 A 83 ILE HG2% B 279 ILE HB 1.0 . 5.50 654 578 A 83 ILE HG1y B 279 ILE HB 1.0 . 5.50 655 579 A 83 ILE HG1x B 279 ILE HB 1.0 . 5.50 656 580 B 283 ILE HG21 A 79 ILE HB 1.0 . 5.50 657 581 B 283 ILE HG1y A 79 ILE HB 1.0 . 5.50 658 582 B 283 ILE HG1x A 79 ILE HB 1.0 . 5.50 659 583 A 26 THR HA A 24 LEU HBy 1.0 . 4.78 660 584 B 226 THR HA B 224 LEU HBy 1.0 . 4.78 661 585 A 26 THR HG2% A 24 LEU HBx 1.0 . 5.24 662 586 B 226 THR HG21 B 224 LEU HBx 1.0 . 5.24 663 587 A 93 LEU HBx A 96 GLU HGx 1.0 . 5.28 664 587 A 96 GLU HGy A 93 LEU HBx 1.0 . 5.28 665 588 A 107 LEU HBy A 108 PHE HBx 1.0 . 5.50 666 589 B 293 LEU HBx B 296 GLU HGx 1.0 . 5.28 667 589 B 296 GLU HGy B 293 LEU HBx 1.0 . 5.28 668 590 B 307 LEU HBy B 308 PHE HBx 1.0 . 5.50 669 591 A 124 ILE HB A 123 ALA HB% 1.0 . 5.50 670 592 A 124 ILE HB A 106 THR HG2% 1.0 . 5.50 671 593 B 324 ILE HB B 323 ALA HB1 1.0 . 5.50 672 594 B 324 ILE HB B 306 THR HG21 1.0 . 5.50 673 595 A 124 ILE HB A 103 ASN HA 1.0 . 5.10 674 596 B 324 ILE HB B 303 ASN HA 1.0 . 5.10 675 597 A 44 LEU HDx% B 273 PRO HBx 1.0 . 5.50 676 598 A 44 LEU HDy% B 273 PRO HBx 1.0 . 5.50 677 599 B 244 LEU HD11 A 73 PRO HBx 1.0 . 5.50 678 600 B 244 LEU HD21 A 73 PRO HBx 1.0 . 5.50 679 601 A 59 ALA HB% A 72 MET HBx 1.0 . 5.50 680 602 B 259 ALA HB1 B 272 MET HBx 1.0 . 5.50 681 603 A 59 ALA HB% A 58 PRO HBy 1.0 . 5.50 682 604 A 22 THR HG2% A 21 PRO HBy 1.0 . 5.50 683 605 B 259 ALA HB1 B 258 PRO HBy 1.0 . 5.50 684 606 B 222 THR HG21 B 221 PRO HBy 1.0 . 5.50 685 607 A 22 THR H A 21 PRO HBx 1.0 . 4.65 686 608 B 222 THR H B 221 PRO HBx 1.0 . 4.65 687 609 A 93 LEU HDx% A 94 LYS HBx 1.0 . 4.72 688 609 A 93 LEU HDx% A 94 LYS HBy 1.0 . 4.72 689 610 B 293 LEU HD11 B 294 LYS HBx 1.0 . 4.72 690 610 B 293 LEU HD11 B 294 LYS HBy 1.0 . 4.72 691 611 A 125 VAL HGx% B 205 PRO HBx 1.0 . 5.50 692 612 B 325 VAL HG11 A 5 PRO HBy 1.0 . 5.50 693 613 A 44 LEU HDx% B 273 PRO HBy 1.0 . 5.50 694 614 A 44 LEU HDx% B 275 GLU HBy 1.0 . 5.50 695 615 B 244 LEU HD11 A 73 PRO HBy 1.0 . 5.50 696 616 B 244 LEU HD11 A 75 GLU HBy 1.0 . 5.50 697 617 A 75 GLU HGy A 76 ASN H 1.0 . 5.16 698 618 B 275 GLU HGy B 276 ASN H 1.0 . 5.16 699 619 A 22 THR H A 23 ARG HDx 1.0 . 5.13 700 620 B 222 THR H B 223 ARG HDy 1.0 . 5.13 701 621 A 23 ARG HA A 23 ARG HDx 1.0 . 4.93 702 622 B 223 ARG HA B 223 ARG HDy 1.0 . 4.93 703 623 A 104 VAL HA A 107 LEU HBx 1.0 . 4.89 704 624 B 304 VAL HA B 307 LEU HBx 1.0 . 4.89 705 625 A 104 VAL HB A 103 ASN H 1.0 . 5.50 706 626 A 49 GLY H A 50 GLN HBx 1.0 . 5.50 707 627 B 304 VAL HB A 97 TRP HZ2 1.0 . 5.50 708 628 B 304 VAL HB B 303 ASN H 1.0 . 5.50 709 629 B 249 GLY H B 250 GLN HBx 1.0 . 5.50 710 630 A 104 VAL HB B 297 TRP HZ2 1.0 . 5.50 711 631 A 105 ASP HA A 104 VAL HB 1.0 . 4.74 712 632 B 305 ASP HA B 304 VAL HB 1.0 . 4.74 713 633 A 50 GLN HBx A 82 VAL HGx% 1.0 . 5.50 714 634 A 82 VAL HGy% A 50 GLN HBx 1.0 . 5.50 715 635 B 250 GLN HBx B 282 VAL HG11 1.0 . 5.50 716 636 B 282 VAL HG21 B 250 GLN HBx 1.0 . 5.50 717 637 A 59 ALA H A 73 PRO HBx 1.0 . 4.95 718 638 B 259 ALA H B 273 PRO HBx 1.0 . 4.95 719 639 A 59 ALA HB% A 73 PRO HBx 1.0 . 4.94 720 640 B 259 ALA HB1 B 273 PRO HBx 1.0 . 4.94 721 641 A 51 TYR HA A 50 GLN HBx 1.0 . 5.50 722 642 B 251 TYR HA B 250 GLN HBx 1.0 . 5.50 723 643 A 49 GLY HAy A 50 GLN HBx 1.0 . 4.43 724 644 B 249 GLY HAy B 250 GLN HBx 1.0 . 4.43 725 645 A 99 THR H A 98 GLU HBx 1.0 . 5.50 726 646 B 299 THR H B 298 GLU HBx 1.0 . 5.50 727 647 A 20 ASP HA A 23 ARG HBy 1.0 . 4.95 728 648 B 220 ASP HA B 223 ARG HBx 1.0 . 4.95 729 649 A 99 THR HG2% A 102 ARG HBx 1.0 . 5.50 730 649 A 99 THR HG2% A 102 ARG HBy 1.0 . 5.50 731 650 A 103 ASN HBx A 102 ARG HBx 1.0 . 5.49 732 650 A 102 ARG HBy A 103 ASN HBx 1.0 . 5.49 733 651 B 299 THR HG21 B 302 ARG HBx 1.0 . 5.50 734 651 B 299 THR HG21 B 302 ARG HBy 1.0 . 5.50 735 652 B 303 ASN HBx B 302 ARG HBx 1.0 . 5.49 736 652 B 302 ARG HBy B 303 ASN HBx 1.0 . 5.49 737 653 A 82 VAL HGx% A 81 THR HG2% 1.0 . 5.50 738 654 A 82 VAL HGy% A 81 THR HG2% 1.0 . 5.50 739 655 B 282 VAL HG11 B 281 THR HG21 1.0 . 5.50 740 656 B 282 VAL HG21 B 281 THR HG21 1.0 . 5.50 741 657 A 99 THR HG2% A 96 GLU HA 1.0 . 5.50 742 658 B 299 THR HG21 B 296 GLU HA 1.0 . 5.50 743 659 A 99 THR HG2% A 126 SER HBx 1.0 . 5.50 744 659 A 99 THR HG2% A 126 SER HBy 1.0 . 5.50 745 660 B 299 THR HG21 B 326 SER HBx 1.0 . 5.50 746 660 B 299 THR HG21 B 326 SER HBy 1.0 . 5.50 747 661 A 50 GLN HA A 82 VAL HGx% 1.0 . 5.34 748 662 B 250 GLN HA B 282 VAL HG11 1.0 . 5.34 749 663 A 54 VAL HA A 52 VAL HGy% 1.0 . 5.50 750 664 A 79 ILE HA A 52 VAL HGy% 1.0 . 5.50 751 665 B 254 VAL HA B 252 VAL HG21 1.0 . 5.50 752 666 B 279 ILE HA B 252 VAL HG21 1.0 . 5.50 753 667 A 125 VAL HGy% A 102 ARG HDy 1.0 . 5.50 754 668 B 325 VAL HG21 B 302 ARG HDy 1.0 . 5.50 755 669 B 325 VAL HG21 A 5 PRO HBy 1.0 . 5.50 756 670 A 70 VAL HGx% A 69 CYS HBx 1.0 . 5.50 757 671 A 125 VAL HGy% B 205 PRO HBx 1.0 . 5.50 758 672 B 270 VAL HG11 B 269 CYS HBx 1.0 . 5.50 759 673 A 122 ALA HB% A 119 ASP HBy 1.0 . 5.50 760 674 B 322 ALA HB1 B 319 ASP HBy 1.0 . 5.50 761 675 A 119 ASP H A 121 THR HG2% 1.0 . 5.50 762 676 B 319 ASP H B 321 THR HG21 1.0 . 5.50 763 677 A 54 VAL HGy% A 53 SER H 1.0 . 5.50 764 678 B 254 VAL HG21 B 253 SER H 1.0 . 5.50 765 679 A 70 VAL HGx% A 70 VAL H 1.0 . 5.48 766 680 B 270 VAL HG11 B 270 VAL H 1.0 . 5.48 767 681 A 80 ARG HA A 52 VAL HGy% 1.0 . 5.50 768 682 B 280 ARG HA B 252 VAL HG21 1.0 . 5.50 769 683 A 102 ARG HGx A 125 VAL HA 1.0 . 5.20 770 684 B 302 ARG HGx B 325 VAL HA 1.0 . 5.20 771 685 A 115 LEU HG A 114 GLY HAx 1.0 . 4.98 772 686 B 315 LEU HG B 314 GLY HAy 1.0 . 4.98 773 687 A 118 LEU H A 118 LEU HG 1.0 . 5.49 774 688 B 318 LEU H B 318 LEU HG 1.0 . 5.49 775 689 A 107 LEU H A 107 LEU HG 1.0 . 4.94 776 690 B 307 LEU H B 307 LEU HG 1.0 . 4.94 777 691 A 93 LEU H A 94 LYS HGx 1.0 . 5.09 778 692 B 293 LEU H B 294 LYS HGx 1.0 . 5.09 779 693 A 93 LEU HDx% A 94 LYS HGy 1.0 . 5.02 780 694 B 293 LEU HD11 B 294 LYS HGy 1.0 . 5.02 781 695 A 121 THR HG2% A 120 PRO HGx 1.0 . 5.13 782 695 A 120 PRO HGy A 121 THR HG2% 1.0 . 5.13 783 696 B 321 THR HG21 B 320 PRO HGx 1.0 . 5.13 784 696 B 320 PRO HGy B 321 THR HG21 1.0 . 5.13 785 697 A 6 MET H A 5 PRO HGx 1.0 . 5.05 786 697 A 5 PRO HGy A 6 MET H 1.0 . 5.05 787 698 B 206 MET H B 205 PRO HGx 1.0 . 5.05 788 698 B 205 PRO HGy B 206 MET H 1.0 . 5.05 789 699 A 4 LYS HA A 5 PRO HGx 1.0 . 5.50 790 699 A 5 PRO HGy A 4 LYS HA 1.0 . 5.50 791 700 B 204 LYS HA B 205 PRO HGx 1.0 . 5.50 792 700 B 205 PRO HGy B 204 LYS HA 1.0 . 5.50 793 701 A 83 ILE HA B 279 ILE HG1x 1.0 . 5.09 794 702 B 283 ILE HA A 79 ILE HG1x 1.0 . 5.09 795 703 A 88 GLU HBx A 89 ASN HBx 1.0 . 4.73 796 703 A 88 GLU HBx A 89 ASN HBy 1.0 . 4.73 797 704 B 288 GLU HBx B 289 ASN HBx 1.0 . 4.73 798 704 B 288 GLU HBx B 289 ASN HBy 1.0 . 4.73 799 705 A 83 ILE HA B 279 ILE HG1y 1.0 . 4.77 800 706 B 283 ILE HA A 79 ILE HG1y 1.0 . 4.77 801 707 A 59 ALA HA A 73 PRO HGx 1.0 . 5.50 802 708 B 259 ALA HA B 273 PRO HGx 1.0 . 5.50 803 709 A 87 ALA HB% A 88 GLU HBy 1.0 . 5.35 804 710 B 287 ALA HB1 B 288 GLU HBy 1.0 . 5.35 805 711 A 93 LEU HBx A 94 LYS HGx 1.0 . 4.34 806 712 A 93 LEU HBx A 94 LYS HGy 1.0 . 5.50 807 713 B 293 LEU HBx B 294 LYS HGx 1.0 . 4.34 808 714 B 293 LEU HBx B 294 LYS HGy 1.0 . 5.50 809 715 A 90 LEU HDx% A 94 LYS HGx 1.0 . 4.49 810 716 A 93 LEU HDx% A 94 LYS HGx 1.0 . 4.76 811 717 B 290 LEU HD11 B 294 LYS HGx 1.0 . 4.49 812 718 B 293 LEU HD11 B 294 LYS HGx 1.0 . 4.76 813 719 A 122 ALA HB% A 107 LEU HDy% 1.0 . 5.50 814 720 B 322 ALA HB1 B 307 LEU HD21 1.0 . 5.50 815 721 A 91 ALA HA A 94 LYS HGx 1.0 . 5.11 816 722 B 291 ALA HA B 294 LYS HGx 1.0 . 5.11 817 723 A 79 ILE HG1y A 78 SER H 1.0 . 5.42 818 724 B 279 ILE HG1y A 84 SER H 1.0 . 5.50 819 725 B 279 ILE HG1y B 278 SER H 1.0 . 5.42 820 726 A 79 ILE HG1y B 284 SER H 1.0 . 5.50 821 727 A 8 PRO HGy A 18 TRP HBx 1.0 . 5.15 822 727 A 8 PRO HGx A 18 TRP HBx 1.0 . 5.15 823 727 A 18 TRP HBy A 8 PRO HGx 1.0 . 5.15 824 727 A 8 PRO HGy A 18 TRP HBy 1.0 . 5.15 825 728 B 208 PRO HGx B 218 TRP HBx 1.0 . 5.15 826 728 B 208 PRO HGy B 218 TRP HBx 1.0 . 5.15 827 728 B 218 TRP HBy B 208 PRO HGx 1.0 . 5.15 828 728 B 208 PRO HGy B 218 TRP HBy 1.0 . 5.15 829 729 A 20 ASP HBy A 23 ARG HBy 1.0 . 5.50 830 730 A 23 ARG HBy A 21 PRO HDy 1.0 . 5.50 831 731 B 220 ASP HBy B 223 ARG HBx 1.0 . 5.50 832 732 B 223 ARG HBx B 221 PRO HDx 1.0 . 5.50 833 733 A 80 ARG HA A 52 VAL HA 1.0 . 4.84 834 734 B 280 ARG HA B 252 VAL HA 1.0 . 4.84 835 735 A 53 SER HA A 28 PHE HA 1.0 . 4.45 836 736 B 253 SER HA B 228 PHE HA 1.0 . 4.45 837 737 B 205 PRO HA A 125 VAL HA 1.0 . 4.59 838 738 A 5 PRO HA B 325 VAL HA 1.0 . 4.59 839 739 A 29 SER HA A 17 VAL HA 1.0 . 4.68 840 740 B 229 SER HA B 217 VAL HA 1.0 . 4.68 841 741 A 8 PRO HA A 19 SER H 1.0 . 5.21 842 742 B 208 PRO HA B 219 SER H 1.0 . 5.21 843 743 A 126 SER H A 125 VAL HB 1.0 . 4.14 844 744 B 326 SER H B 325 VAL HB 1.0 . 4.14 845 745 A 126 SER H A 125 VAL HGy% 1.0 . 5.42 846 746 A 126 SER H A 125 VAL HGx% 1.0 . 5.50 847 747 B 326 SER H B 325 VAL HG21 1.0 . 5.42 848 748 B 326 SER H B 325 VAL HG11 1.0 . 5.50 849 749 A 125 VAL HA B 206 MET H 1.0 . 5.08 850 750 B 325 VAL HA A 6 MET H 1.0 . 5.08 851 751 A 125 VAL HGy% A 125 VAL H 1.0 . 4.71 852 752 B 325 VAL HG21 B 325 VAL H 1.0 . 4.71 853 753 A 106 THR HG2% A 125 VAL H 1.0 . 5.39 854 754 A 103 ASN HBx A 125 VAL H 1.0 . 5.15 855 755 B 306 THR HG21 B 325 VAL H 1.0 . 5.39 856 756 B 303 ASN HBx B 325 VAL H 1.0 . 5.15 857 757 A 102 ARG HGx A 125 VAL H 1.0 . 4.35 858 758 B 302 ARG HGx B 325 VAL H 1.0 . 4.35 859 759 A 125 VAL H A 102 ARG HBx 1.0 . 5.17 860 759 A 102 ARG HBy A 125 VAL H 1.0 . 5.17 861 760 A 125 VAL H A 103 ASN HBy 1.0 . 5.32 862 761 A 102 ARG HGy A 125 VAL H 1.0 . 5.50 863 762 B 325 VAL H B 302 ARG HBx 1.0 . 5.17 864 762 B 302 ARG HBy B 325 VAL H 1.0 . 5.17 865 763 B 325 VAL H B 303 ASN HBy 1.0 . 5.32 866 764 B 302 ARG HGy B 325 VAL H 1.0 . 5.50 867 765 A 5 PRO HBx A 6 MET H 1.0 . 3.92 868 766 B 205 PRO HBy B 206 MET H 1.0 . 3.92 869 767 A 5 PRO HBy A 6 MET H 1.0 . 4.17 870 768 B 205 PRO HBx B 206 MET H 1.0 . 4.17 871 769 A 103 ASN HA A 125 VAL H 1.0 . 4.41 872 770 B 303 ASN HA B 325 VAL H 1.0 . 4.41 873 771 A 126 SER H A 125 VAL H 1.0 . 4.66 874 772 A 126 SER H B 206 MET H 1.0 . 5.50 875 773 B 326 SER H B 325 VAL H 1.0 . 4.66 876 774 B 326 SER H A 6 MET H 1.0 . 5.50 877 775 A 124 ILE H A 123 ALA H 1.0 . 4.31 878 776 B 324 ILE H B 323 ALA H 1.0 . 4.31 879 777 A 124 ILE H A 123 ALA HB% 1.0 . 4.42 880 778 B 324 ILE H B 323 ALA HB1 1.0 . 4.42 881 779 A 124 ILE HB A 124 ILE H 1.0 . 4.09 882 780 B 324 ILE HB B 324 ILE H 1.0 . 4.09 883 781 A 124 ILE H A 124 ILE HG1y 1.0 . 4.34 884 782 B 324 ILE H B 324 ILE HG1x 1.0 . 4.34 885 783 A 124 ILE HD1% A 124 ILE H 1.0 . 5.36 886 784 A 124 ILE H A 124 ILE HG1x 1.0 . 5.23 887 785 B 324 ILE HD11 B 324 ILE H 1.0 . 5.36 888 786 B 324 ILE H B 324 ILE HG1y 1.0 . 5.23 889 787 A 122 ALA H A 123 ALA H 1.0 . 4.30 890 788 B 322 ALA H B 323 ALA H 1.0 . 4.30 891 789 A 122 ALA HA A 123 ALA H 1.0 . 3.20 892 790 B 322 ALA HA B 323 ALA H 1.0 . 3.20 893 791 A 123 ALA HB% A 123 ALA H 1.0 . 3.43 894 792 B 323 ALA HB1 B 323 ALA H 1.0 . 3.43 895 793 A 106 THR HG2% A 123 ALA H 1.0 . 4.25 896 794 B 306 THR HG21 B 323 ALA H 1.0 . 4.25 897 795 A 122 ALA H A 120 PRO HA 1.0 . 4.38 898 796 B 322 ALA H B 320 PRO HA 1.0 . 4.38 899 797 A 122 ALA H A 121 THR H 1.0 . 3.85 900 798 B 322 ALA H B 321 THR H 1.0 . 3.85 901 799 A 122 ALA H A 122 ALA HB% 1.0 . 4.20 902 800 A 122 ALA H A 121 THR HG2% 1.0 . 4.41 903 801 B 322 ALA H B 322 ALA HB1 1.0 . 4.20 904 802 B 322 ALA H B 321 THR HG21 1.0 . 4.41 905 803 A 121 THR HB A 121 THR H 1.0 . 4.21 906 804 B 321 THR HB B 321 THR H 1.0 . 4.21 907 805 A 121 THR H A 120 PRO HDx 1.0 . 4.45 908 805 A 120 PRO HDy A 121 THR H 1.0 . 4.45 909 806 B 321 THR H B 320 PRO HDx 1.0 . 4.45 910 806 B 320 PRO HDy B 321 THR H 1.0 . 4.45 911 807 A 121 THR HG2% A 121 THR H 1.0 . 3.94 912 808 B 321 THR HG21 B 321 THR H 1.0 . 3.94 913 809 A 54 VAL H A 53 SER H 1.0 . 4.54 914 810 B 254 VAL H B 253 SER H 1.0 . 4.54 915 811 A 54 VAL H A 27 THR H 1.0 . 4.25 916 812 B 254 VAL H B 227 THR H 1.0 . 4.25 917 813 A 115 LEU HDy% A 117 PHE H 1.0 . 4.85 918 814 B 315 LEU HD21 B 317 PHE H 1.0 . 4.85 919 815 A 115 LEU H A 116 GLY H 1.0 . 4.63 920 816 B 315 LEU H B 316 GLY H 1.0 . 4.63 921 817 A 115 LEU HDy% A 116 GLY H 1.0 . 5.50 922 818 A 32 LEU HDx% B 316 GLY H 1.0 . 5.50 923 819 B 315 LEU HD21 B 316 GLY H 1.0 . 5.50 924 820 B 232 LEU HD11 A 116 GLY H 1.0 . 5.50 925 821 A 115 LEU H A 116 GLY HAy 1.0 . 4.29 926 822 B 315 LEU H B 316 GLY HAy 1.0 . 4.29 927 823 A 115 LEU HG A 115 LEU H 1.0 . 4.48 928 824 B 315 LEU HG B 315 LEU H 1.0 . 4.48 929 825 A 115 LEU H A 115 LEU HDy% 1.0 . 4.53 930 826 B 315 LEU H B 315 LEU HD21 1.0 . 4.53 931 827 A 113 ALA H A 114 GLY H 1.0 . 4.58 932 828 B 313 ALA H B 314 GLY H 1.0 . 4.58 933 829 A 115 LEU H A 114 GLY H 1.0 . 4.47 934 830 B 315 LEU H B 314 GLY H 1.0 . 4.47 935 831 A 112 ASN HA A 114 GLY H 1.0 . 4.71 936 832 B 312 ASN HA B 314 GLY H 1.0 . 4.71 937 833 A 113 ALA HB% A 114 GLY H 1.0 . 4.98 938 834 B 313 ALA HB1 B 314 GLY H 1.0 . 4.98 939 835 A 24 LEU H A 23 ARG HBy 1.0 . 4.02 940 836 B 224 LEU H B 223 ARG HBx 1.0 . 4.02 941 837 A 24 LEU H A 20 ASP H 1.0 . 4.70 942 838 B 224 LEU H B 220 ASP H 1.0 . 4.70 943 839 A 115 LEU HDy% A 112 ASN H 1.0 . 5.21 944 840 B 315 LEU HD21 B 312 ASN H 1.0 . 5.21 945 841 A 108 PHE H A 111 GLY H 1.0 . 4.56 946 842 B 308 PHE H B 311 GLY H 1.0 . 4.56 947 843 A 111 GLY H A 112 ASN H 1.0 . 4.64 948 844 B 311 GLY H B 312 ASN H 1.0 . 4.64 949 845 A 111 GLY H A 110 SER H 1.0 . 3.74 950 846 B 311 GLY H B 310 SER H 1.0 . 3.74 951 847 A 109 ALA HB% A 111 GLY H 1.0 . 4.68 952 848 B 309 ALA HB1 B 311 GLY H 1.0 . 4.68 953 849 A 111 GLY H A 110 SER HBx 1.0 . 4.30 954 849 A 111 GLY H A 110 SER HBy 1.0 . 4.30 955 850 B 311 GLY H B 310 SER HBx 1.0 . 4.30 956 850 B 311 GLY H B 310 SER HBy 1.0 . 4.30 957 851 A 109 ALA HB% A 110 SER H 1.0 . 4.45 958 852 B 309 ALA HB1 B 310 SER H 1.0 . 4.45 959 853 A 111 GLY H A 109 ALA H 1.0 . 4.33 960 854 B 311 GLY H B 309 ALA H 1.0 . 4.33 961 855 A 109 ALA HB% A 109 ALA H 1.0 . 4.06 962 856 B 309 ALA HB1 B 309 ALA H 1.0 . 4.06 963 857 A 108 PHE H A 109 ALA H 1.0 . 4.03 964 858 B 308 PHE H B 309 ALA H 1.0 . 4.03 965 859 A 108 PHE H A 110 SER H 1.0 . 4.80 966 860 A 108 PHE H A 106 THR H 1.0 . 5.41 967 861 B 308 PHE H B 310 SER H 1.0 . 4.80 968 862 B 308 PHE H B 306 THR H 1.0 . 5.41 969 863 A 108 PHE H A 107 LEU HBx 1.0 . 4.40 970 864 A 109 ALA HB% A 108 PHE H 1.0 . 5.18 971 865 A 108 PHE H A 107 LEU HBy 1.0 . 4.92 972 866 B 308 PHE H B 307 LEU HBx 1.0 . 4.40 973 867 B 309 ALA HB1 B 308 PHE H 1.0 . 5.18 974 868 B 308 PHE H B 307 LEU HBy 1.0 . 4.92 975 869 A 107 LEU H A 106 THR H 1.0 . 4.12 976 870 B 307 LEU H B 306 THR H 1.0 . 4.12 977 871 A 108 PHE H A 107 LEU H 1.0 . 4.12 978 872 B 308 PHE H B 307 LEU H 1.0 . 4.12 979 873 A 107 LEU H A 106 THR HB 1.0 . 4.42 980 874 B 307 LEU H B 306 THR HB 1.0 . 4.42 981 875 A 107 LEU H A 107 LEU HBy 1.0 . 3.81 982 876 B 307 LEU H B 307 LEU HBy 1.0 . 3.81 983 877 A 106 THR HG2% A 107 LEU H 1.0 . 4.84 984 878 A 107 LEU H A 107 LEU HDx% 1.0 . 5.18 985 879 B 306 THR HG21 B 307 LEU H 1.0 . 4.84 986 880 B 307 LEU H B 307 LEU HD11 1.0 . 5.18 987 881 A 105 ASP H A 106 THR H 1.0 . 4.19 988 882 B 305 ASP H B 306 THR H 1.0 . 4.19 989 883 A 106 THR HG1 A 106 THR H 1.0 . 4.30 990 884 B 306 THR HG1 B 306 THR H 1.0 . 4.30 991 885 A 103 ASN HA A 106 THR H 1.0 . 4.10 992 886 B 303 ASN HA B 306 THR H 1.0 . 4.10 993 887 A 106 THR HG2% A 106 THR H 1.0 . 4.47 994 888 B 306 THR HG21 B 306 THR H 1.0 . 4.47 995 889 A 106 THR H A 105 ASP HBx 1.0 . 4.65 996 890 B 306 THR H B 305 ASP HBx 1.0 . 4.65 997 891 B 305 ASP H A 97 TRP HE1 1.0 . 4.54 998 892 A 105 ASP H B 297 TRP HE1 1.0 . 4.54 999 893 A 105 ASP H A 104 VAL H 1.0 . 3.81 1000 894 B 305 ASP H B 304 VAL H 1.0 . 3.81 1001 895 A 105 ASP H A 103 ASN H 1.0 . 4.43 1002 896 B 305 ASP H A 97 TRP HZ2 1.0 . 5.50 1003 897 B 305 ASP H B 303 ASN H 1.0 . 4.43 1004 898 A 105 ASP H B 297 TRP HZ2 1.0 . 5.50 1005 899 A 105 ASP H A 102 ARG H 1.0 . 5.02 1006 900 A 105 ASP H A 107 LEU H 1.0 . 5.42 1007 901 B 305 ASP H B 302 ARG H 1.0 . 5.02 1008 902 B 305 ASP H B 307 LEU H 1.0 . 5.42 1009 903 A 105 ASP H A 102 ARG HA 1.0 . 4.45 1010 904 B 305 ASP H B 302 ARG HA 1.0 . 4.45 1011 905 A 105 ASP H A 101 LYS HA 1.0 . 4.40 1012 906 B 305 ASP H B 301 LYS HA 1.0 . 4.40 1013 907 A 105 ASP H A 104 VAL HB 1.0 . 3.59 1014 908 B 305 ASP H B 304 VAL HB 1.0 . 3.59 1015 909 A 83 ILE HB A 84 SER H 1.0 . 4.31 1016 910 B 283 ILE HB B 284 SER H 1.0 . 4.31 1017 911 A 105 ASP H A 104 VAL HGy% 1.0 . 4.48 1018 912 B 305 ASP H B 304 VAL HG21 1.0 . 4.48 1019 913 A 105 ASP H A 104 VAL HGx% 1.0 . 4.93 1020 914 B 305 ASP H B 304 VAL HG11 1.0 . 4.93 1021 915 A 83 ILE HD1% A 84 SER H 1.0 . 5.29 1022 916 B 283 ILE HD11 B 284 SER H 1.0 . 5.29 1023 917 A 104 VAL H A 102 ARG H 1.0 . 4.29 1024 918 B 304 VAL H B 302 ARG H 1.0 . 4.29 1025 919 A 104 VAL H A 101 LYS HA 1.0 . 4.33 1026 920 B 304 VAL H B 301 LYS HA 1.0 . 4.33 1027 921 A 105 ASP HA A 104 VAL H 1.0 . 5.47 1028 922 A 104 VAL H A 100 HIS HA 1.0 . 5.50 1029 923 B 305 ASP HA B 304 VAL H 1.0 . 5.47 1030 924 B 304 VAL H B 300 HIS HA 1.0 . 5.50 1031 925 A 104 VAL H A 104 VAL HB 1.0 . 3.77 1032 926 A 104 VAL H A 103 ASN HBy 1.0 . 4.75 1033 927 B 304 VAL H B 304 VAL HB 1.0 . 3.77 1034 928 B 304 VAL H B 303 ASN HBy 1.0 . 4.75 1035 929 A 104 VAL H A 104 VAL HGy% 1.0 . 4.15 1036 930 B 304 VAL H B 304 VAL HG21 1.0 . 4.15 1037 931 A 104 VAL HGx% A 104 VAL H 1.0 . 4.71 1038 932 B 304 VAL HG11 B 304 VAL H 1.0 . 4.71 1039 933 A 104 VAL H A 103 ASN HBx 1.0 . 4.43 1040 934 B 304 VAL H B 303 ASN HBx 1.0 . 4.43 1041 935 A 99 THR HA A 127 SER H 1.0 . 4.28 1042 936 B 299 THR HA B 327 SER H 1.0 . 4.28 1043 937 A 102 ARG HGx A 103 ASN H 1.0 . 4.30 1044 938 B 302 ARG HGx B 303 ASN H 1.0 . 4.30 1045 939 A 99 THR HG2% A 127 SER H 1.0 . 5.29 1046 940 B 299 THR HG21 B 327 SER H 1.0 . 5.29 1047 941 A 125 VAL HGy% A 103 ASN H 1.0 . 5.22 1048 942 A 103 ASN H A 124 ILE HG1y 1.0 . 5.50 1049 943 A 125 VAL HGy% A 127 SER H 1.0 . 5.50 1050 944 B 325 VAL HG21 B 303 ASN H 1.0 . 5.22 1051 945 B 303 ASN H B 324 ILE HG1x 1.0 . 5.50 1052 946 B 325 VAL HG21 B 327 SER H 1.0 . 5.50 1053 947 A 124 ILE HD1% A 103 ASN H 1.0 . 4.89 1054 948 B 324 ILE HD11 B 303 ASN H 1.0 . 4.89 1055 949 A 104 VAL HGy% A 103 ASN H 1.0 . 5.34 1056 950 A 124 ILE HG2% A 103 ASN H 1.0 . 5.50 1057 951 B 304 VAL HG21 B 303 ASN H 1.0 . 5.34 1058 952 B 324 ILE HG21 B 303 ASN H 1.0 . 5.50 1059 953 A 102 ARG H A 101 LYS H 1.0 . 4.13 1060 954 B 302 ARG H B 301 LYS H 1.0 . 4.13 1061 955 A 102 ARG H A 99 THR HA 1.0 . 4.88 1062 956 B 302 ARG H B 299 THR HA 1.0 . 4.88 1063 957 A 102 ARG H A 102 ARG HBx 1.0 . 3.90 1064 957 A 102 ARG HBy A 102 ARG H 1.0 . 3.90 1065 958 B 302 ARG H B 302 ARG HBx 1.0 . 3.90 1066 958 B 302 ARG HBy B 302 ARG H 1.0 . 3.90 1067 959 A 101 LYS H A 102 ARG HBx 1.0 . 4.49 1068 959 A 102 ARG HBy A 101 LYS H 1.0 . 4.49 1069 960 B 301 LYS H B 302 ARG HBx 1.0 . 4.49 1070 960 B 302 ARG HBy B 301 LYS H 1.0 . 4.49 1071 961 A 99 THR HG2% A 101 LYS H 1.0 . 5.04 1072 962 B 299 THR HG21 B 301 LYS H 1.0 . 5.04 1073 963 A 32 LEU HA A 50 GLN H 1.0 . 4.93 1074 964 B 232 LEU HA B 250 GLN H 1.0 . 4.93 1075 965 A 49 GLY H A 50 GLN H 1.0 . 5.08 1076 966 B 249 GLY H B 250 GLN H 1.0 . 5.08 1077 967 A 33 LEU H A 49 GLY HAx 1.0 . 5.50 1078 968 B 233 LEU H B 249 GLY HAx 1.0 . 5.50 1079 969 A 32 LEU HDx% A 33 LEU H 1.0 . 4.44 1080 970 A 50 GLN H A 82 VAL HGx% 1.0 . 5.43 1081 971 B 232 LEU HD11 B 233 LEU H 1.0 . 4.44 1082 972 B 250 GLN H B 282 VAL HG11 1.0 . 5.43 1083 973 A 95 ALA HA A 98 GLU H 1.0 . 4.49 1084 974 B 295 ALA HA B 298 GLU H 1.0 . 4.49 1085 975 A 99 THR H A 96 GLU HA 1.0 . 5.46 1086 976 A 96 GLU HA A 98 GLU H 1.0 . 5.50 1087 977 B 299 THR H B 296 GLU HA 1.0 . 5.46 1088 978 B 296 GLU HA B 298 GLU H 1.0 . 5.50 1089 979 A 98 GLU H A 97 TRP HBy 1.0 . 4.83 1090 980 B 298 GLU H B 297 TRP HBy 1.0 . 4.83 1091 981 A 99 THR H A 98 GLU HBy 1.0 . 5.50 1092 982 B 299 THR H B 298 GLU HBy 1.0 . 5.50 1093 983 A 89 ASN H A 91 ALA H 1.0 . 5.50 1094 984 B 289 ASN H B 291 ALA H 1.0 . 5.50 1095 985 A 87 ALA HA A 89 ASN H 1.0 . 4.45 1096 986 A 89 ASN H A 86 SER HBx 1.0 . 5.00 1097 986 A 89 ASN H A 86 SER HBy 1.0 . 5.00 1098 987 B 287 ALA HA B 289 ASN H 1.0 . 4.45 1099 988 B 289 ASN H B 286 SER HBx 1.0 . 5.00 1100 988 B 289 ASN H B 286 SER HBy 1.0 . 5.00 1101 989 A 88 GLU HBy A 89 ASN H 1.0 . 4.28 1102 990 A 90 LEU HBy A 89 ASN H 1.0 . 5.50 1103 991 B 288 GLU HBy B 289 ASN H 1.0 . 4.28 1104 992 B 290 LEU HBy B 289 ASN H 1.0 . 5.50 1105 993 A 93 LEU HA A 96 GLU H 1.0 . 4.92 1106 994 B 293 LEU HA B 296 GLU H 1.0 . 4.92 1107 995 A 95 ALA H A 96 GLU HGx 1.0 . 4.50 1108 995 A 96 GLU HGy A 95 ALA H 1.0 . 4.50 1109 996 B 295 ALA H B 296 GLU HGx 1.0 . 4.50 1110 996 B 296 GLU HGy B 295 ALA H 1.0 . 4.50 1111 997 A 95 ALA HB% A 95 ALA H 1.0 . 3.86 1112 998 B 295 ALA HB1 B 295 ALA H 1.0 . 3.86 1113 999 A 95 ALA H A 92 THR HG2% 1.0 . 4.80 1114 1000 B 295 ALA H B 292 THR HG21 1.0 . 4.80 1115 1001 A 93 LEU HA A 95 ALA H 1.0 . 4.36 1116 1002 A 96 GLU HA A 95 ALA H 1.0 . 5.26 1117 1003 B 293 LEU HA B 295 ALA H 1.0 . 4.36 1118 1004 B 296 GLU HA B 295 ALA H 1.0 . 5.26 1119 1005 A 95 ALA H A 96 GLU H 1.0 . 3.96 1120 1006 B 295 ALA H B 296 GLU H 1.0 . 3.96 1121 1007 A 95 ALA H A 94 LYS H 1.0 . 4.60 1122 1008 B 295 ALA H B 294 LYS H 1.0 . 4.60 1123 1009 A 91 ALA HA A 94 LYS H 1.0 . 5.38 1124 1010 B 291 ALA HA B 294 LYS H 1.0 . 5.38 1125 1011 A 94 LYS HGx A 94 LYS H 1.0 . 4.52 1126 1012 A 94 LYS HGy A 94 LYS H 1.0 . 4.61 1127 1013 B 294 LYS HGx B 294 LYS H 1.0 . 4.52 1128 1014 B 294 LYS HGy B 294 LYS H 1.0 . 4.61 1129 1015 A 93 LEU HDx% A 94 LYS H 1.0 . 4.58 1130 1016 B 293 LEU HD11 B 294 LYS H 1.0 . 4.58 1131 1017 A 92 THR H A 93 LEU H 1.0 . 4.40 1132 1018 B 292 THR H B 293 LEU H 1.0 . 4.40 1133 1019 A 92 THR HB A 93 LEU H 1.0 . 5.29 1134 1020 B 292 THR HB B 293 LEU H 1.0 . 5.29 1135 1021 A 92 THR H A 91 ALA H 1.0 . 3.85 1136 1022 B 292 THR H B 291 ALA H 1.0 . 3.85 1137 1023 A 92 THR H A 92 THR HB 1.0 . 3.89 1138 1024 B 292 THR H B 292 THR HB 1.0 . 3.89 1139 1025 A 92 THR H A 91 ALA HB% 1.0 . 4.02 1140 1026 B 292 THR H B 291 ALA HB1 1.0 . 4.02 1141 1027 A 92 THR H A 92 THR HG2% 1.0 . 4.12 1142 1028 B 292 THR H B 292 THR HG21 1.0 . 4.12 1143 1029 A 89 ASN HA A 91 ALA H 1.0 . 4.31 1144 1030 B 289 ASN HA B 291 ALA H 1.0 . 4.31 1145 1031 A 90 LEU HBy A 91 ALA H 1.0 . 4.29 1146 1032 B 290 LEU HBy B 291 ALA H 1.0 . 4.29 1147 1033 A 91 ALA HB% A 91 ALA H 1.0 . 3.64 1148 1034 B 291 ALA HB1 B 291 ALA H 1.0 . 3.64 1149 1035 A 91 ALA H A 90 LEU HBx 1.0 . 4.25 1150 1036 B 291 ALA H B 290 LEU HBx 1.0 . 4.25 1151 1037 A 90 LEU HDx% A 91 ALA H 1.0 . 5.05 1152 1038 A 90 LEU HDy% A 91 ALA H 1.0 . 5.49 1153 1039 B 290 LEU HD11 B 291 ALA H 1.0 . 5.05 1154 1040 B 290 LEU HD21 B 291 ALA H 1.0 . 5.49 1155 1041 A 91 ALA H A 90 LEU H 1.0 . 4.16 1156 1042 B 291 ALA H B 290 LEU H 1.0 . 4.16 1157 1043 A 91 ALA HB% A 90 LEU H 1.0 . 4.66 1158 1044 B 291 ALA HB1 B 290 LEU H 1.0 . 4.66 1159 1045 A 90 LEU HDy% A 90 LEU H 1.0 . 4.54 1160 1046 B 290 LEU HD21 B 290 LEU H 1.0 . 4.54 1161 1047 A 89 ASN H A 90 LEU H 1.0 . 4.35 1162 1048 B 289 ASN H B 290 LEU H 1.0 . 4.35 1163 1049 A 88 GLU HBx A 89 ASN H 1.0 . 4.53 1164 1050 A 87 ALA HB% A 89 ASN H 1.0 . 5.50 1165 1051 B 288 GLU HBx B 289 ASN H 1.0 . 4.53 1166 1052 B 287 ALA HB1 B 289 ASN H 1.0 . 5.50 1167 1053 A 86 SER HA A 88 GLU H 1.0 . 4.67 1168 1054 B 286 SER HA B 288 GLU H 1.0 . 4.67 1169 1055 A 87 ALA HB% A 88 GLU H 1.0 . 5.07 1170 1056 B 287 ALA HB1 B 288 GLU H 1.0 . 5.07 1171 1057 A 44 LEU HDy% A 88 GLU H 1.0 . 5.50 1172 1058 A 44 LEU HDx% A 88 GLU H 1.0 . 5.50 1173 1059 B 244 LEU HD21 B 288 GLU H 1.0 . 5.50 1174 1060 B 244 LEU HD11 B 288 GLU H 1.0 . 5.50 1175 1061 A 87 ALA H A 88 GLU H 1.0 . 4.52 1176 1062 B 287 ALA H B 288 GLU H 1.0 . 4.52 1177 1063 A 87 ALA H A 86 SER HBx 1.0 . 4.27 1178 1063 A 87 ALA H A 86 SER HBy 1.0 . 4.27 1179 1064 B 287 ALA H B 286 SER HBx 1.0 . 4.27 1180 1064 B 287 ALA H B 286 SER HBy 1.0 . 4.27 1181 1065 A 44 LEU HDy% A 87 ALA H 1.0 . 4.76 1182 1066 A 44 LEU HDx% A 87 ALA H 1.0 . 5.17 1183 1067 B 244 LEU HD21 B 287 ALA H 1.0 . 4.76 1184 1068 B 244 LEU HD11 B 287 ALA H 1.0 . 5.17 1185 1069 A 87 ALA H A 86 SER H 1.0 . 4.73 1186 1070 B 287 ALA H B 286 SER H 1.0 . 4.73 1187 1071 A 84 SER H A 85 GLY H 1.0 . 5.15 1188 1072 A 49 GLY H A 84 SER H 1.0 . 5.21 1189 1073 B 284 SER H B 285 GLY H 1.0 . 5.15 1190 1074 B 249 GLY H B 284 SER H 1.0 . 5.21 1191 1075 A 48 SER HA A 84 SER H 1.0 . 4.87 1192 1076 A 78 SER HA B 284 SER H 1.0 . 5.50 1193 1077 B 248 SER HA B 284 SER H 1.0 . 4.87 1194 1078 B 278 SER HA A 84 SER H 1.0 . 5.50 1195 1079 A 79 ILE HA B 284 SER H 1.0 . 4.35 1196 1080 B 279 ILE HA A 84 SER H 1.0 . 4.35 1197 1081 A 79 ILE HG1x B 284 SER H 1.0 . 4.54 1198 1082 A 79 ILE HD1% B 284 SER H 1.0 . 5.50 1199 1083 B 279 ILE HG1x A 84 SER H 1.0 . 4.54 1200 1084 B 279 ILE HD11 A 84 SER H 1.0 . 5.50 1201 1085 A 83 ILE HG2% A 84 SER H 1.0 . 4.47 1202 1086 B 283 ILE HG21 B 284 SER H 1.0 . 4.47 1203 1087 A 51 TYR H A 83 ILE H 1.0 . 5.50 1204 1088 B 251 TYR H B 283 ILE H 1.0 . 5.50 1205 1089 A 52 VAL HA A 81 THR H 1.0 . 4.70 1206 1090 B 252 VAL HA B 281 THR H 1.0 . 4.70 1207 1091 A 52 VAL HGy% A 81 THR H 1.0 . 5.50 1208 1092 A 52 VAL HGx% A 81 THR H 1.0 . 5.50 1209 1093 B 252 VAL HG21 B 281 THR H 1.0 . 5.50 1210 1094 B 252 VAL HG11 B 281 THR H 1.0 . 5.50 1211 1095 A 50 GLN HA A 83 ILE H 1.0 . 4.45 1212 1096 B 250 GLN HA B 283 ILE H 1.0 . 4.45 1213 1097 A 83 ILE HB A 83 ILE H 1.0 . 4.18 1214 1098 B 283 ILE HB B 283 ILE H 1.0 . 4.18 1215 1099 A 82 VAL HGx% A 83 ILE H 1.0 . 5.23 1216 1100 A 82 VAL HGy% A 83 ILE H 1.0 . 5.50 1217 1101 B 282 VAL HG11 B 283 ILE H 1.0 . 5.23 1218 1102 B 282 VAL HG21 B 283 ILE H 1.0 . 5.50 1219 1103 A 83 ILE HG1y A 83 ILE H 1.0 . 5.44 1220 1104 A 83 ILE HG2% A 83 ILE H 1.0 . 5.50 1221 1105 B 283 ILE HG1y B 283 ILE H 1.0 . 5.44 1222 1106 B 283 ILE HG21 B 283 ILE H 1.0 . 5.50 1223 1107 A 83 ILE HD1% A 83 ILE H 1.0 . 5.05 1224 1108 B 283 ILE HD11 B 283 ILE H 1.0 . 5.05 1225 1109 A 83 ILE H A 82 VAL H 1.0 . 4.54 1226 1110 B 283 ILE H B 282 VAL H 1.0 . 4.54 1227 1111 A 82 VAL HGy% A 82 VAL H 1.0 . 5.47 1228 1112 A 82 VAL HGx% A 82 VAL H 1.0 . 5.50 1229 1113 B 282 VAL HG21 B 282 VAL H 1.0 . 5.47 1230 1114 B 282 VAL HG11 B 282 VAL H 1.0 . 5.50 1231 1115 B 282 VAL H A 80 ARG HBx 1.0 . 5.50 1232 1115 A 80 ARG HBy B 282 VAL H 1.0 . 5.50 1233 1116 A 82 VAL H B 280 ARG HBx 1.0 . 5.50 1234 1116 B 280 ARG HBy A 82 VAL H 1.0 . 5.50 1235 1117 A 81 THR HG2% A 82 VAL H 1.0 . 5.10 1236 1118 B 281 THR HG21 B 282 VAL H 1.0 . 5.10 1237 1119 A 83 ILE HG1x A 82 VAL H 1.0 . 4.89 1238 1120 B 283 ILE HG1x B 282 VAL H 1.0 . 4.89 1239 1121 B 282 VAL H A 80 ARG H 1.0 . 4.77 1240 1122 A 82 VAL H B 280 ARG H 1.0 . 4.77 1241 1123 A 83 ILE HA B 280 ARG H 1.0 . 4.27 1242 1124 B 283 ILE HA A 80 ARG H 1.0 . 4.27 1243 1125 A 80 ARG H A 80 ARG HBx 1.0 . 3.93 1244 1125 A 80 ARG HBy A 80 ARG H 1.0 . 3.93 1245 1126 B 280 ARG H B 280 ARG HBx 1.0 . 3.93 1246 1126 B 280 ARG HBy B 280 ARG H 1.0 . 3.93 1247 1127 A 79 ILE HB A 80 ARG H 1.0 . 4.55 1248 1128 B 279 ILE HB B 280 ARG H 1.0 . 4.55 1249 1129 A 82 VAL HGx% B 280 ARG H 1.0 . 4.98 1250 1130 A 79 ILE HG1x A 80 ARG H 1.0 . 5.50 1251 1131 A 82 VAL HGy% B 280 ARG H 1.0 . 5.50 1252 1132 B 282 VAL HG11 A 80 ARG H 1.0 . 4.98 1253 1133 B 279 ILE HG1x B 280 ARG H 1.0 . 5.50 1254 1134 B 282 VAL HG21 A 80 ARG H 1.0 . 5.50 1255 1135 A 83 ILE HG1y B 280 ARG H 1.0 . 5.20 1256 1136 A 83 ILE HG2% B 280 ARG H 1.0 . 5.50 1257 1137 A 83 ILE HG1x B 280 ARG H 1.0 . 5.50 1258 1138 B 283 ILE HG1y A 80 ARG H 1.0 . 5.20 1259 1139 B 283 ILE HG21 A 80 ARG H 1.0 . 5.50 1260 1140 B 283 ILE HG1x A 80 ARG H 1.0 . 5.50 1261 1141 A 79 ILE HG1x A 78 SER H 1.0 . 4.96 1262 1142 A 79 ILE HD1% A 78 SER H 1.0 . 5.50 1263 1143 B 279 ILE HG1x B 278 SER H 1.0 . 4.96 1264 1144 B 279 ILE HD11 B 278 SER H 1.0 . 5.50 1265 1145 A 76 ASN HBy A 77 GLN H 1.0 . 4.48 1266 1146 B 276 ASN HBy B 277 GLN H 1.0 . 4.48 1267 1147 A 76 ASN HBy A 76 ASN H 1.0 . 4.15 1268 1148 B 276 ASN HBy B 276 ASN H 1.0 . 4.15 1269 1149 A 75 GLU HBy A 76 ASN H 1.0 . 4.54 1270 1150 B 275 GLU HBy B 276 ASN H 1.0 . 4.54 1271 1151 A 76 ASN H A 75 GLU HBx 1.0 . 4.23 1272 1152 B 276 ASN H B 275 GLU HBx 1.0 . 4.23 1273 1153 A 76 ASN H A 75 GLU H 1.0 . 4.69 1274 1154 B 276 ASN H B 275 GLU H 1.0 . 4.69 1275 1155 A 58 PRO HA A 75 GLU H 1.0 . 4.77 1276 1156 B 258 PRO HA B 275 GLU H 1.0 . 4.77 1277 1157 A 74 ASN HBx A 75 GLU H 1.0 . 5.42 1278 1158 A 75 GLU HGy A 75 GLU H 1.0 . 5.50 1279 1159 B 274 ASN HBx B 275 GLU H 1.0 . 5.42 1280 1160 B 275 GLU HGy B 275 GLU H 1.0 . 5.50 1281 1161 A 75 GLU H A 75 GLU HGx 1.0 . 4.78 1282 1162 B 275 GLU H B 275 GLU HGx 1.0 . 4.78 1283 1163 A 44 LEU HDx% B 275 GLU H 1.0 . 4.93 1284 1164 B 244 LEU HD11 A 75 GLU H 1.0 . 4.93 1285 1165 A 75 GLU H A 74 ASN H 1.0 . 4.37 1286 1166 B 275 GLU H B 274 ASN H 1.0 . 4.37 1287 1167 A 67 ASP H A 68 ALA H 1.0 . 4.60 1288 1168 B 267 ASP H B 268 ALA H 1.0 . 4.60 1289 1169 A 67 ASP H A 66 ALA H 1.0 . 4.75 1290 1170 B 267 ASP H B 266 ALA H 1.0 . 4.75 1291 1171 A 103 ASN H A 102 ARG HBx 1.0 . 4.01 1292 1171 A 102 ARG HBy A 103 ASN H 1.0 . 4.01 1293 1172 B 303 ASN H B 302 ARG HBx 1.0 . 4.01 1294 1172 B 302 ARG HBy B 303 ASN H 1.0 . 4.01 1295 1173 A 125 VAL HGx% A 125 VAL H 1.0 . 5.50 1296 1174 B 325 VAL HG11 B 325 VAL H 1.0 . 5.50 1297 1175 A 124 ILE HG2% A 125 VAL H 1.0 . 4.97 1298 1176 B 324 ILE HG21 B 325 VAL H 1.0 . 4.97 1299 1177 A 124 ILE HD1% A 125 VAL H 1.0 . 5.34 1300 1178 B 324 ILE HD11 B 325 VAL H 1.0 . 5.34 1301 1179 A 80 ARG HA A 52 VAL H 1.0 . 5.44 1302 1180 B 280 ARG HA B 252 VAL H 1.0 . 5.44 1303 1181 A 30 ALA HA A 52 VAL H 1.0 . 4.13 1304 1182 B 230 ALA HA B 252 VAL H 1.0 . 4.13 1305 1183 A 52 VAL HB A 52 VAL H 1.0 . 3.93 1306 1184 B 252 VAL HB B 252 VAL H 1.0 . 3.93 1307 1185 A 52 VAL HGx% A 52 VAL H 1.0 . 4.20 1308 1186 A 52 VAL HGy% A 52 VAL H 1.0 . 5.29 1309 1187 B 252 VAL HG11 B 252 VAL H 1.0 . 4.20 1310 1188 B 252 VAL HG21 B 252 VAL H 1.0 . 5.29 1311 1189 A 51 TYR H A 52 VAL H 1.0 . 4.73 1312 1190 B 251 TYR H B 252 VAL H 1.0 . 4.73 1313 1191 A 82 VAL HA A 51 TYR H 1.0 . 5.14 1314 1192 B 282 VAL HA B 251 TYR H 1.0 . 5.14 1315 1193 A 51 TYR H A 50 GLN HGx 1.0 . 5.10 1316 1193 A 50 GLN HGy A 51 TYR H 1.0 . 5.10 1317 1194 B 251 TYR H B 250 GLN HGx 1.0 . 5.10 1318 1194 B 250 GLN HGy B 251 TYR H 1.0 . 5.10 1319 1195 A 51 TYR H A 50 GLN HBx 1.0 . 5.45 1320 1196 B 251 TYR H B 250 GLN HBx 1.0 . 5.45 1321 1197 A 51 TYR H A 50 GLN H 1.0 . 4.49 1322 1198 B 251 TYR H B 250 GLN H 1.0 . 4.49 1323 1199 A 50 GLN H A 83 ILE H 1.0 . 4.71 1324 1200 B 250 GLN H B 283 ILE H 1.0 . 4.71 1325 1201 A 98 GLU H A 97 TRP H 1.0 . 4.35 1326 1202 B 298 GLU H B 297 TRP H 1.0 . 4.35 1327 1203 A 94 LYS HA A 97 TRP H 1.0 . 3.90 1328 1204 A 95 ALA HA A 97 TRP H 1.0 . 4.40 1329 1205 B 294 LYS HA B 297 TRP H 1.0 . 3.90 1330 1206 B 295 ALA HA B 297 TRP H 1.0 . 4.40 1331 1207 A 93 LEU HA A 97 TRP H 1.0 . 4.90 1332 1208 B 293 LEU HA B 297 TRP H 1.0 . 4.90 1333 1209 A 49 GLY HAy A 33 LEU H 1.0 . 4.32 1334 1210 B 249 GLY HAy B 233 LEU H 1.0 . 4.32 1335 1211 A 50 GLN H A 50 GLN HGx 1.0 . 3.95 1336 1211 A 50 GLN HGy A 50 GLN H 1.0 . 3.95 1337 1212 A 97 TRP H A 96 GLU HBx 1.0 . 4.54 1338 1213 B 250 GLN H B 250 GLN HGx 1.0 . 3.95 1339 1213 B 250 GLN HGy B 250 GLN H 1.0 . 3.95 1340 1214 B 297 TRP H B 296 GLU HBx 1.0 . 4.54 1341 1215 A 97 TRP H A 96 GLU HGx 1.0 . 4.36 1342 1215 A 96 GLU HGy A 97 TRP H 1.0 . 4.36 1343 1216 B 297 TRP H B 296 GLU HGx 1.0 . 4.36 1344 1216 B 296 GLU HGy B 297 TRP H 1.0 . 4.36 1345 1217 A 50 GLN H A 50 GLN HBx 1.0 . 3.79 1346 1218 B 250 GLN H B 250 GLN HBx 1.0 . 3.79 1347 1219 A 93 LEU H A 96 GLU H 1.0 . 4.44 1348 1220 B 293 LEU H B 296 GLU H 1.0 . 4.44 1349 1221 A 32 LEU HDx% A 32 LEU H 1.0 . 4.47 1350 1222 B 232 LEU HD11 B 232 LEU H 1.0 . 4.47 1351 1223 A 95 ALA HB% A 93 LEU H 1.0 . 5.07 1352 1224 A 93 LEU H A 94 LYS HGy 1.0 . 5.18 1353 1225 B 295 ALA HB1 B 293 LEU H 1.0 . 5.07 1354 1226 B 293 LEU H B 294 LYS HGy 1.0 . 5.18 1355 1227 A 70 VAL HGx% A 71 ILE H 1.0 . 5.10 1356 1228 A 47 VAL HGy% A 47 VAL H 1.0 . 5.50 1357 1229 B 270 VAL HG11 B 271 ILE H 1.0 . 5.10 1358 1230 B 247 VAL HG21 B 247 VAL H 1.0 . 5.50 1359 1231 A 47 VAL H A 46 ASN HBx 1.0 . 4.73 1360 1231 A 47 VAL H A 46 ASN HBy 1.0 . 4.73 1361 1232 B 247 VAL H B 246 ASN HBx 1.0 . 4.73 1362 1232 B 247 VAL H B 246 ASN HBy 1.0 . 4.73 1363 1233 A 83 ILE HG2% B 279 ILE H 1.0 . 5.03 1364 1234 B 283 ILE HG21 A 79 ILE H 1.0 . 5.03 1365 1235 A 16 ILE HB A 16 ILE H 1.0 . 4.07 1366 1236 A 17 VAL HB A 28 PHE H 1.0 . 5.20 1367 1237 B 216 ILE HB B 216 ILE H 1.0 . 4.07 1368 1238 B 217 VAL HB B 228 PHE H 1.0 . 5.20 1369 1239 A 79 ILE HB A 79 ILE H 1.0 . 4.05 1370 1240 B 279 ILE HB B 279 ILE H 1.0 . 4.05 1371 1241 A 27 THR H A 28 PHE H 1.0 . 4.52 1372 1242 B 227 THR H B 228 PHE H 1.0 . 4.52 1373 1243 A 44 LEU HDy% A 45 ASN H 1.0 . 5.50 1374 1244 A 44 LEU HDx% A 45 ASN H 1.0 . 5.50 1375 1245 B 244 LEU HD21 B 245 ASN H 1.0 . 5.50 1376 1246 B 244 LEU HD11 B 245 ASN H 1.0 . 5.50 1377 1247 A 29 SER HA A 17 VAL H 1.0 . 4.77 1378 1248 B 229 SER HA B 217 VAL H 1.0 . 4.77 1379 1249 A 16 ILE HB A 17 VAL H 1.0 . 4.05 1380 1250 B 216 ILE HB B 217 VAL H 1.0 . 4.05 1381 1251 A 17 VAL HGx% A 17 VAL H 1.0 . 4.21 1382 1252 B 217 VAL HG11 B 217 VAL H 1.0 . 4.21 1383 1253 A 41 ILE HB A 42 ALA H 1.0 . 4.43 1384 1254 B 241 ILE HB B 242 ALA H 1.0 . 4.43 1385 1255 A 41 ILE HG2% A 42 ALA H 1.0 . 4.52 1386 1256 B 241 ILE HG21 B 242 ALA H 1.0 . 4.52 1387 1257 A 110 SER H A 109 ALA H 1.0 . 3.09 1388 1258 B 310 SER H B 309 ALA H 1.0 . 3.09 1389 1259 A 108 PHE HA A 109 ALA H 1.0 . 3.42 1390 1260 B 308 PHE HA B 309 ALA H 1.0 . 3.42 1391 1261 A 59 ALA H A 74 ASN H 1.0 . 4.59 1392 1262 A 31 SER H A 50 GLN H 1.0 . 4.84 1393 1263 B 259 ALA H B 274 ASN H 1.0 . 4.59 1394 1264 B 231 SER H B 250 GLN H 1.0 . 4.84 1395 1265 A 55 TYR HA A 27 THR H 1.0 . 4.67 1396 1266 A 28 PHE HA A 27 THR H 1.0 . 5.50 1397 1267 B 255 TYR HA B 227 THR H 1.0 . 4.67 1398 1268 B 228 PHE HA B 227 THR H 1.0 . 5.50 1399 1269 A 54 VAL HB A 27 THR H 1.0 . 4.53 1400 1270 B 254 VAL HB B 227 THR H 1.0 . 4.53 1401 1271 A 26 THR HG2% A 27 THR H 1.0 . 5.50 1402 1272 B 226 THR HG21 B 227 THR H 1.0 . 5.50 1403 1273 A 54 VAL HGx% A 27 THR H 1.0 . 5.41 1404 1274 A 54 VAL HGy% A 27 THR H 1.0 . 5.50 1405 1275 A 52 VAL HGx% A 31 SER H 1.0 . 5.50 1406 1276 B 254 VAL HG11 B 227 THR H 1.0 . 5.41 1407 1277 B 254 VAL HG21 B 227 THR H 1.0 . 5.50 1408 1278 B 252 VAL HG11 B 231 SER H 1.0 . 5.50 1409 1279 A 52 VAL H A 53 SER H 1.0 . 5.50 1410 1280 B 252 VAL H B 253 SER H 1.0 . 5.50 1411 1281 A 17 VAL HA A 30 ALA H 1.0 . 4.24 1412 1282 B 217 VAL HA B 230 ALA H 1.0 . 4.24 1413 1283 A 27 THR HB A 28 PHE H 1.0 . 4.16 1414 1284 B 227 THR HB B 228 PHE H 1.0 . 4.16 1415 1285 A 17 VAL HGx% A 29 SER H 1.0 . 5.39 1416 1286 A 52 VAL HGx% A 29 SER H 1.0 . 5.50 1417 1287 B 217 VAL HG11 B 229 SER H 1.0 . 5.39 1418 1288 B 252 VAL HG11 B 229 SER H 1.0 . 5.50 1419 1289 A 17 VAL HA A 28 PHE H 1.0 . 4.11 1420 1290 A 17 VAL HA A 29 SER H 1.0 . 5.09 1421 1291 B 217 VAL HA B 228 PHE H 1.0 . 4.11 1422 1292 B 217 VAL HA B 229 SER H 1.0 . 5.09 1423 1293 A 27 THR HG2% A 28 PHE H 1.0 . 4.76 1424 1294 B 227 THR HG21 B 228 PHE H 1.0 . 4.76 1425 1295 A 17 VAL HGx% A 28 PHE H 1.0 . 4.45 1426 1296 B 217 VAL HG11 B 228 PHE H 1.0 . 4.45 1427 1297 A 28 PHE H A 18 TRP HBx 1.0 . 4.65 1428 1297 A 18 TRP HBy A 28 PHE H 1.0 . 4.65 1429 1298 B 228 PHE H B 218 TRP HBx 1.0 . 4.65 1430 1298 B 218 TRP HBy B 228 PHE H 1.0 . 4.65 1431 1299 A 18 TRP H A 28 PHE H 1.0 . 4.73 1432 1300 B 218 TRP H B 228 PHE H 1.0 . 4.73 1433 1301 A 26 THR H A 25 SER H 1.0 . 4.46 1434 1302 B 226 THR H B 225 SER H 1.0 . 4.46 1435 1303 A 26 THR H A 26 THR HB 1.0 . 4.19 1436 1304 B 226 THR H B 226 THR HB 1.0 . 4.19 1437 1305 A 4 LYS H A 4 LYS HBx 1.0 . 3.87 1438 1305 A 4 LYS H A 4 LYS HBy 1.0 . 3.87 1439 1306 B 204 LYS H B 204 LYS HBx 1.0 . 3.87 1440 1306 B 204 LYS H B 204 LYS HBy 1.0 . 3.87 1441 1307 A 26 THR HG2% A 26 THR H 1.0 . 4.22 1442 1308 B 226 THR HG21 B 226 THR H 1.0 . 4.22 1443 1309 A 26 THR H A 24 LEU HBx 1.0 . 3.98 1444 1310 B 226 THR H B 224 LEU HBx 1.0 . 3.98 1445 1311 A 70 VAL HGx% A 72 MET H 1.0 . 4.57 1446 1312 B 270 VAL HG11 B 272 MET H 1.0 . 4.57 1447 1313 A 27 THR H A 26 THR HB 1.0 . 4.99 1448 1314 B 227 THR H B 226 THR HB 1.0 . 4.99 1449 1315 A 73 PRO HBx A 74 ASN H 1.0 . 4.05 1450 1316 B 273 PRO HBx B 274 ASN H 1.0 . 4.05 1451 1317 A 27 THR HG2% A 27 THR H 1.0 . 4.92 1452 1318 B 227 THR HG21 B 227 THR H 1.0 . 4.92 1453 1319 A 22 THR HG2% A 22 THR H 1.0 . 5.27 1454 1320 B 222 THR HG21 B 222 THR H 1.0 . 5.27 1455 1321 A 115 LEU HDy% A 114 GLY H 1.0 . 5.50 1456 1322 B 315 LEU HD21 B 314 GLY H 1.0 . 5.50 1457 1323 A 24 LEU HBx A 25 SER H 1.0 . 4.64 1458 1324 B 224 LEU HBx B 225 SER H 1.0 . 4.64 1459 1325 A 70 VAL H A 69 CYS H 1.0 . 4.44 1460 1326 B 270 VAL H B 269 CYS H 1.0 . 4.44 1461 1327 A 7 GLN H A 19 SER H 1.0 . 4.39 1462 1328 B 207 GLN H B 219 SER H 1.0 . 4.39 1463 1329 A 17 VAL HGx% A 19 SER H 1.0 . 4.98 1464 1330 B 217 VAL HG11 B 219 SER H 1.0 . 4.98 1465 1331 A 115 LEU H A 117 PHE H 1.0 . 3.26 1466 1332 B 315 LEU H B 317 PHE H 1.0 . 3.26 1467 1333 A 59 ALA H A 75 GLU H 1.0 . 4.69 1468 1334 B 259 ALA H B 275 GLU H 1.0 . 4.69 1469 1335 A 96 GLU H A 96 GLU HGx 1.0 . 4.48 1470 1335 A 96 GLU HGy A 96 GLU H 1.0 . 4.48 1471 1336 B 296 GLU H B 296 GLU HGx 1.0 . 4.48 1472 1336 B 296 GLU HGy B 296 GLU H 1.0 . 4.48 1473 1337 A 92 THR HA A 96 GLU H 1.0 . 5.36 1474 1338 A 94 LYS HA A 96 GLU H 1.0 . 5.50 1475 1339 B 292 THR HA B 296 GLU H 1.0 . 5.36 1476 1340 B 294 LYS HA B 296 GLU H 1.0 . 5.50 1477 1341 A 95 ALA HB% A 96 GLU H 1.0 . 4.38 1478 1342 B 295 ALA HB1 B 296 GLU H 1.0 . 4.38 1479 1343 A 93 LEU HDx% A 96 GLU H 1.0 . 5.26 1480 1344 B 293 LEU HD11 B 296 GLU H 1.0 . 5.26 1481 1345 A 90 LEU HDx% A 90 LEU H 1.0 . 5.50 1482 1346 B 290 LEU HD11 B 290 LEU H 1.0 . 5.50 1483 1347 A 49 GLY H A 33 LEU H 1.0 . 4.33 1484 1348 B 249 GLY H B 233 LEU H 1.0 . 4.33 1485 1349 A 17 VAL HA A 16 ILE H 1.0 . 5.40 1486 1350 B 217 VAL HA B 216 ILE H 1.0 . 5.40 1487 1351 A 22 THR H A 23 ARG H 1.0 . 4.08 1488 1352 B 222 THR H B 223 ARG H 1.0 . 4.08 1489 1353 A 23 ARG H A 22 THR HB 1.0 . 5.26 1490 1354 B 223 ARG H B 222 THR HB 1.0 . 5.26 1491 1355 A 22 THR HG2% A 23 ARG H 1.0 . 4.73 1492 1356 B 222 THR HG21 B 223 ARG H 1.0 . 4.73 1493 1357 A 105 ASP HA B 297 TRP HE1 1.0 . 4.19 1494 1358 B 305 ASP HA A 97 TRP HE1 1.0 . 4.19 1495 1359 A 97 TRP HE1 A 97 TRP HBx 1.0 . 5.02 1496 1360 A 101 LYS HA B 297 TRP HE1 1.0 . 5.50 1497 1361 B 297 TRP HE1 B 297 TRP HBx 1.0 . 5.02 1498 1362 B 301 LYS HA A 97 TRP HE1 1.0 . 5.50 1499 1363 A 104 VAL HB B 297 TRP HE1 1.0 . 3.95 1500 1364 B 304 VAL HB A 97 TRP HE1 1.0 . 3.95 1501 1365 A 104 VAL HGx% B 297 TRP HE1 1.0 . 4.92 1502 1366 B 304 VAL HG11 A 97 TRP HE1 1.0 . 4.92 1503 1367 A 79 ILE H A 53 SER H 1.0 . 4.47 1504 1368 B 279 ILE H B 253 SER H 1.0 . 4.47 1505 1369 A 52 VAL HGy% A 53 SER H 1.0 . 4.89 1506 1370 A 52 VAL HGx% A 53 SER H 1.0 . 4.97 1507 1371 B 252 VAL HG21 B 253 SER H 1.0 . 4.89 1508 1372 B 252 VAL HG11 B 253 SER H 1.0 . 4.97 1509 1373 A 79 ILE HB A 53 SER H 1.0 . 4.62 1510 1374 B 279 ILE HB B 253 SER H 1.0 . 4.62 1511 1375 A 32 LEU HDx% A 34 ARG H 1.0 . 4.83 1512 1376 B 232 LEU HD11 B 234 ARG H 1.0 . 4.83 stop_ save_