data_nef_c15636_2k04 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 BMRB 15633 BMRB 15635 BMRB 15637 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 11 CYS SG 1 36 CYS SG 1 13 CYS SG 1 52 CYS SG 1 38 CYS SG 2 67 CYS SG 1 67 CYS SG 2 38 CYS SG 2 11 CYS SG 2 36 CYS SG 2 13 CYS SG 2 52 CYS SG stop_ 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 GLY start . false 2 A 0 MET middle . . 3 A 1 LYS middle . . 4 A 2 PRO middle . false 5 A 3 VAL middle . . 6 A 4 SER middle . . 7 A 5 LEU middle . . 8 A 6 SER middle . . 9 A 7 TYR middle . . 10 A 8 ARG middle . . 11 A 9 CYS middle -HG . 12 A 10 PRO middle . false 13 A 11 CYS middle -HG . 14 A 12 ARG middle . . 15 A 13 PHE middle . . 16 A 14 PHE middle . . 17 A 15 GLU middle . . 18 A 16 SER middle . . 19 A 17 HIS middle . . 20 A 18 VAL middle . . 21 A 19 ALA middle . . 22 A 20 ARG middle . . 23 A 21 ALA middle . . 24 A 22 ASN middle . . 25 A 23 VAL middle . . 26 A 24 LYS middle . . 27 A 25 HIS middle . . 28 A 26 LEU middle . . 29 A 27 LYS middle . . 30 A 28 ILE middle . . 31 A 29 LEU middle . . 32 A 30 ASN middle . . 33 A 31 THR middle . . 34 A 32 PRO middle . false 35 A 33 ASN middle . . 36 A 34 CYS middle -HG . 37 A 35 ALA middle . . 38 A 36 CYS middle -HG . 39 A 37 GLN middle . . 40 A 38 ILE middle . . 41 A 39 VAL middle . . 42 A 40 ALA middle . . 43 A 41 ARG middle . . 44 A 42 LEU middle . . 45 A 43 LYS middle . . 46 A 44 ASN middle . . 47 A 45 ASN middle . . 48 A 46 ASN middle . . 49 A 47 ARG middle . . 50 A 48 GLN middle . . 51 A 49 VAL middle . . 52 A 50 CYS middle -HG . 53 A 51 ILE middle . . 54 A 52 ASP middle . . 55 A 53 PRO middle . false 56 A 54 LYS middle . . 57 A 55 LEU middle . . 58 A 56 LYS middle . . 59 A 57 TRP middle . . 60 A 58 ILE middle . . 61 A 59 GLN middle . . 62 A 60 GLU middle . . 63 A 61 TYR middle . . 64 A 62 LEU middle . . 65 A 63 GLU middle . . 66 A 64 LYS middle . . 67 A 65 CYS middle -HG . 68 A 66 LEU middle . . 69 A 67 ASN middle . . 70 A 68 LYS end . . 71 C 199 GLY start . false 72 C 200 MET middle . . 73 C 201 LYS middle . . 74 C 202 PRO middle . false 75 C 203 VAL middle . . 76 C 204 SER middle . . 77 C 205 LEU middle . . 78 C 206 SER middle . . 79 C 207 TYR middle . . 80 C 208 ARG middle . . 81 C 209 CYS middle -HG . 82 C 210 PRO middle . false 83 C 211 CYS middle -HG . 84 C 212 ARG middle . . 85 C 213 PHE middle . . 86 C 214 PHE middle . . 87 C 215 GLU middle . . 88 C 216 SER middle . . 89 C 217 HIS middle . . 90 C 218 VAL middle . . 91 C 219 ALA middle . . 92 C 220 ARG middle . . 93 C 221 ALA middle . . 94 C 222 ASN middle . . 95 C 223 VAL middle . . 96 C 224 LYS middle . . 97 C 225 HIS middle . . 98 C 226 LEU middle . . 99 C 227 LYS middle . . 100 C 228 ILE middle . . 101 C 229 LEU middle . . 102 C 230 ASN middle . . 103 C 231 THR middle . . 104 C 232 PRO middle . false 105 C 233 ASN middle . . 106 C 234 CYS middle -HG . 107 C 235 ALA middle . . 108 C 236 CYS middle -HG . 109 C 237 GLN middle . . 110 C 238 ILE middle . . 111 C 239 VAL middle . . 112 C 240 ALA middle . . 113 C 241 ARG middle . . 114 C 242 LEU middle . . 115 C 243 LYS middle . . 116 C 244 ASN middle . . 117 C 245 ASN middle . . 118 C 246 ASN middle . . 119 C 247 ARG middle . . 120 C 248 GLN middle . . 121 C 249 VAL middle . . 122 C 250 CYS middle -HG . 123 C 251 ILE middle . . 124 C 252 ASP middle . . 125 C 253 PRO middle . false 126 C 254 LYS middle . . 127 C 255 LEU middle . . 128 C 256 LYS middle . . 129 C 257 TRP middle . . 130 C 258 ILE middle . . 131 C 259 GLN middle . . 132 C 260 GLU middle . . 133 C 261 TYR middle . . 134 C 262 LEU middle . . 135 C 263 GLU middle . . 136 C 264 LYS middle . . 137 C 265 CYS middle -HG . 138 C 266 LEU middle . . 139 C 267 ASN middle . . 140 C 268 LYS end . . 141 B 99 GLY start . false 142 B 100 SER middle . . 143 B 101 MET middle . . 144 B 102 GLU middle . . 145 B 103 GLY middle . false 146 B 104 ILE middle . . 147 B 105 SER middle . . 148 B 106 ILE middle . . 149 B 107 TYR middle . . 150 B 108 THR middle . . 151 B 109 SER middle . . 152 B 110 ASP middle . . 153 B 111 ASN middle . . 154 B 112 TYR middle . . 155 B 113 THR middle . . 156 B 114 GLU middle . . 157 B 115 GLU middle . . 158 B 116 MET middle . . 159 B 117 GLY middle . false 160 B 118 SER middle . . 161 B 119 GLY middle . false 162 B 120 ASP middle . . 163 B 121 TYR middle . . 164 B 122 ASP middle . . 165 B 123 SER middle . . 166 B 124 MET middle . . 167 B 125 LYS middle . . 168 B 126 GLU middle . . 169 B 127 PRO middle . false 170 B 128 ALA middle . . 171 B 129 PHE middle . . 172 B 130 ARG middle . . 173 B 131 GLU middle . . 174 B 132 GLU middle . . 175 B 133 ASN middle . . 176 B 134 ALA middle . . 177 B 135 ASN middle . . 178 B 136 PHE middle . . 179 B 137 ASN middle . . 180 B 138 LYS end . . 181 D 299 GLY start . false 182 D 300 SER middle . . 183 D 301 MET middle . . 184 D 302 GLU middle . . 185 D 303 GLY middle . false 186 D 304 ILE middle . . 187 D 305 SER middle . . 188 D 306 ILE middle . . 189 D 307 TYR middle . . 190 D 308 THR middle . . 191 D 309 SER middle . . 192 D 310 ASP middle . . 193 D 311 ASN middle . . 194 D 312 TYR middle . . 195 D 313 THR middle . . 196 D 314 GLU middle . . 197 D 315 GLU middle . . 198 D 316 MET middle . . 199 D 317 GLY middle . false 200 D 318 SER middle . . 201 D 319 GLY middle . false 202 D 320 ASP middle . . 203 D 321 TYR middle . . 204 D 322 ASP middle . . 205 D 323 SER middle . . 206 D 324 MET middle . . 207 D 325 LYS middle . . 208 D 326 GLU middle . . 209 D 327 PRO middle . false 210 D 328 ALA middle . . 211 D 329 PHE middle . . 212 D 330 ARG middle . . 213 D 331 GLU middle . . 214 D 332 GLU middle . . 215 D 333 ASN middle . . 216 D 334 ALA middle . . 217 D 335 ASN middle . . 218 D 336 PHE middle . . 219 D 337 ASN middle . . 220 D 338 LYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_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 1 LYS H H 1 8.402 0.020 A 1 LYS N N 15 124.577 0.1 A 2 PRO HA H 1 4.509 0.020 A 2 PRO HBy H 1 2.309 0.020 A 2 PRO HBx H 1 1.936 0.020 A 2 PRO HDy H 1 3.885 0.020 A 2 PRO HDx H 1 3.678 0.020 A 2 PRO HGx H 1 2.054 0.020 A 2 PRO HGy H 1 2.054 0.020 A 2 PRO C C 13 177.132 0.1 A 2 PRO CA C 13 63.529 0.1 A 2 PRO CB C 13 32.476 0.1 A 2 PRO CD C 13 51.064 0.1 A 2 PRO CG C 13 27.775 0.1 A 3 VAL H H 1 8.201 0.020 A 3 VAL HA H 1 4.152 0.020 A 3 VAL HB H 1 2.108 0.020 A 3 VAL HGx% H 1 0.988 0.020 A 3 VAL HGy% H 1 0.988 0.020 A 3 VAL C C 13 176.423 0.1 A 3 VAL CA C 13 62.873 0.1 A 3 VAL CB C 13 33.455 0.1 A 3 VAL CG1 C 13 21.324 0.1 A 3 VAL N N 15 120.488 0.1 A 4 SER H H 1 8.276 0.020 A 4 SER HA H 1 4.494 0.020 A 4 SER HBx H 1 3.874 0.020 A 4 SER HBy H 1 3.874 0.020 A 4 SER C C 13 174.687 0.1 A 4 SER CA C 13 58.375 0.1 A 4 SER CB C 13 64.295 0.1 A 4 SER N N 15 119.000 0.1 A 5 LEU H H 1 8.238 0.020 A 5 LEU HA H 1 4.406 0.020 A 5 LEU HBx H 1 1.604 0.020 A 5 LEU HBy H 1 1.604 0.020 A 5 LEU HDx% H 1 0.943 0.020 A 5 LEU C C 13 177.406 0.1 A 5 LEU CA C 13 55.766 0.1 A 5 LEU CB C 13 43.083 0.1 A 5 LEU CD1 C 13 25.588 0.1 A 5 LEU N N 15 124.704 0.1 A 6 SER H H 1 8.148 0.020 A 6 SER HA H 1 4.438 0.020 A 6 SER HBx H 1 3.829 0.020 A 6 SER HBy H 1 3.829 0.020 A 6 SER C C 13 174.321 0.1 A 6 SER CA C 13 58.718 0.1 A 6 SER CB C 13 64.295 0.1 A 6 SER N N 15 115.960 0.1 A 7 TYR H H 1 7.954 0.020 A 7 TYR HA H 1 4.585 0.020 A 7 TYR HBy H 1 3.089 0.020 A 7 TYR HBx H 1 2.963 0.020 A 7 TYR HD1 H 1 7.122 0.020 A 7 TYR HD2 H 1 7.122 0.020 A 7 TYR HE1 H 1 6.847 0.020 A 7 TYR HE2 H 1 6.847 0.020 A 7 TYR C C 13 175.532 0.1 A 7 TYR CA C 13 58.335 0.1 A 7 TYR CB C 13 39.474 0.1 A 7 TYR CD1 C 13 133.600 0.1 A 7 TYR CE1 C 13 118.588 0.1 A 7 TYR N N 15 121.884 0.1 A 8 ARG H H 1 8.117 0.020 A 8 ARG HA H 1 4.349 0.001 A 8 ARG HBy H 1 1.837 0.020 A 8 ARG HBx H 1 1.736 0.001 A 8 ARG HDx H 1 3.175 0.020 A 8 ARG HDy H 1 3.175 0.020 A 8 ARG HGx H 1 1.555 0.020 A 8 ARG HGy H 1 1.555 0.020 A 8 ARG C C 13 175.898 0.1 A 8 ARG CA C 13 56.048 0.1 A 8 ARG CB C 13 31.492 0.1 A 8 ARG CD C 13 43.957 0.1 A 8 ARG CG C 13 27.307 0.1 A 8 ARG N N 15 121.977 0.1 A 9 CYS H H 1 8.127 0.020 A 9 CYS HA H 1 5.004 0.020 A 9 CYS HBy H 1 3.184 0.020 A 9 CYS HBx H 1 2.754 0.020 A 9 CYS C C 13 177.771 0.1 A 9 CYS CA C 13 53.192 0.1 A 9 CYS CB C 13 40.897 0.1 A 9 CYS N N 15 121.209 0.1 A 10 PRO HA H 1 4.340 0.001 A 10 PRO HBy H 1 2.327 0.020 A 10 PRO HBx H 1 1.914 0.002 A 10 PRO HDx H 1 3.893 0.020 A 10 PRO HDy H 1 3.893 0.020 A 10 PRO HGx H 1 2.060 0.020 A 10 PRO HGy H 1 2.060 0.020 A 10 PRO CA C 13 65.478 0.1 A 10 PRO CB C 13 32.904 0.1 A 10 PRO CD C 13 51.251 0.1 A 10 PRO CG C 13 27.900 0.1 A 11 CYS H H 1 8.662 0.020 A 11 CYS C C 13 174.618 0.1 A 11 CYS N N 15 114.595 0.1 A 12 ARG H H 1 8.236 0.020 A 12 ARG HA H 1 4.075 0.001 A 12 ARG HBx H 1 1.585 0.001 A 12 ARG HBy H 1 1.585 0.001 A 12 ARG HDx H 1 3.077 0.020 A 12 ARG HDy H 1 3.077 0.020 A 12 ARG HGy H 1 1.335 0.014 A 12 ARG HGx H 1 1.287 0.002 A 12 ARG C C 13 175.098 0.1 A 12 ARG CA C 13 57.370 0.1 A 12 ARG CB C 13 31.631 0.1 A 12 ARG CD C 13 43.865 0.1 A 12 ARG CG C 13 27.227 0.1 A 12 ARG N N 15 122.779 0.1 A 13 PHE H H 1 7.603 0.020 A 13 PHE HA H 1 4.515 0.001 A 13 PHE HBy H 1 3.095 0.020 A 13 PHE HBx H 1 2.823 0.020 A 13 PHE HD1 H 1 7.217 0.020 A 13 PHE HD2 H 1 7.217 0.020 A 13 PHE HE1 H 1 7.351 0.020 A 13 PHE HE2 H 1 7.351 0.020 A 13 PHE C C 13 174.162 0.1 A 13 PHE CA C 13 56.289 0.1 A 13 PHE CB C 13 41.320 0.1 A 13 PHE CD1 C 13 132.565 0.1 A 13 PHE CE1 C 13 132.047 0.1 A 13 PHE N N 15 116.797 0.1 A 14 PHE H H 1 8.112 0.020 A 14 PHE HA H 1 4.783 0.020 A 14 PHE HBy H 1 2.931 0.020 A 14 PHE HBx H 1 2.785 0.020 A 14 PHE HD1 H 1 7.036 0.020 A 14 PHE HD2 H 1 7.036 0.020 A 14 PHE HE1 H 1 7.325 0.020 A 14 PHE HE2 H 1 7.325 0.020 A 14 PHE C C 13 175.441 0.1 A 14 PHE CA C 13 55.767 0.1 A 14 PHE CB C 13 41.320 0.1 A 14 PHE CD1 C 13 132.047 0.1 A 14 PHE CE1 C 13 131.789 0.1 A 14 PHE N N 15 118.930 0.1 A 15 GLU H H 1 8.820 0.020 A 15 GLU HA H 1 4.616 0.020 A 15 GLU HBx H 1 2.039 0.002 A 15 GLU HBy H 1 2.173 0.001 A 15 GLU HGy H 1 2.413 0.020 A 15 GLU HGx H 1 2.343 0.020 A 15 GLU C C 13 176.857 0.1 A 15 GLU CA C 13 56.289 0.1 A 15 GLU CB C 13 31.173 0.1 A 15 GLU CG C 13 36.818 0.1 A 15 GLU N N 15 122.825 0.1 A 16 SER H H 1 8.746 0.020 A 16 SER HA H 1 4.759 0.020 A 16 SER HBy H 1 3.921 0.020 A 16 SER HBx H 1 3.799 0.020 A 16 SER C C 13 177.497 0.1 A 16 SER CA C 13 59.328 0.1 A 16 SER CB C 13 64.515 0.1 A 16 SER N N 15 118.860 0.1 A 17 HIS H H 1 8.761 0.020 A 17 HIS HA H 1 4.859 0.020 A 17 HIS HBx H 1 3.248 0.020 A 17 HIS HBy H 1 3.248 0.020 A 17 HIS HD2 H 1 7.162 0.020 A 17 HIS HE1 H 1 8.024 0.020 A 17 HIS C C 13 174.618 0.1 A 17 HIS CA C 13 56.449 0.1 A 17 HIS CB C 13 29.870 0.1 A 17 HIS CD2 C 13 120.400 0.1 A 17 HIS CE1 C 13 138.518 0.1 A 17 HIS N N 15 120.535 0.1 A 18 VAL H H 1 7.211 0.020 A 18 VAL HA H 1 4.160 0.020 A 18 VAL HB H 1 1.970 0.020 A 18 VAL HGx% H 1 0.916 0.020 A 18 VAL HGy% H 1 0.916 0.020 A 18 VAL C C 13 174.436 0.1 A 18 VAL CA C 13 62.167 0.1 A 18 VAL CB C 13 34.426 0.1 A 18 VAL CG1 C 13 22.460 0.1 A 18 VAL N N 15 120.872 0.1 A 19 ALA H H 1 8.535 0.020 A 19 ALA HA H 1 4.402 0.020 A 19 ALA HB% H 1 1.379 0.020 A 19 ALA C C 13 177.657 0.1 A 19 ALA CA C 13 51.193 0.1 A 19 ALA CB C 13 19.790 0.1 A 19 ALA N N 15 131.339 0.1 A 20 ARG H H 1 7.815 0.020 A 20 ARG HA H 1 2.495 0.003 A 20 ARG HBy H 1 1.076 0.002 A 20 ARG HBx H 1 0.461 0.002 A 20 ARG HDx H 1 2.897 0.002 A 20 ARG HDy H 1 2.897 0.002 A 20 ARG HGy H 1 1.194 0.001 A 20 ARG HGx H 1 0.860 0.003 A 20 ARG C C 13 178.365 0.1 A 20 ARG CA C 13 59.379 0.1 A 20 ARG CB C 13 29.572 0.1 A 20 ARG CD C 13 44.132 0.1 A 20 ARG CG C 13 26.984 0.1 A 20 ARG N N 15 124.365 0.1 A 21 ALA H H 1 8.135 0.020 A 21 ALA HA H 1 4.070 0.020 A 21 ALA HB% H 1 1.322 0.020 A 21 ALA C C 13 178.000 0.1 A 21 ALA CA C 13 54.100 0.1 A 21 ALA CB C 13 18.713 0.1 A 21 ALA N N 15 117.156 0.1 A 22 ASN H H 1 7.712 0.020 A 22 ASN HA H 1 5.008 0.020 A 22 ASN HBy H 1 3.110 0.020 A 22 ASN HBx H 1 2.682 0.020 A 22 ASN HD2y H 1 7.610 0.020 A 22 ASN HD2x H 1 7.089 0.020 A 22 ASN C C 13 174.938 0.1 A 22 ASN CA C 13 52.869 0.1 A 22 ASN CB C 13 40.573 0.1 A 22 ASN N N 15 112.819 0.1 A 22 ASN ND2 N 15 111.971 0.1 A 23 VAL H H 1 7.508 0.020 A 23 VAL HA H 1 4.896 0.020 A 23 VAL HB H 1 1.756 0.020 A 23 VAL HGx% H 1 0.775 0.020 A 23 VAL HGy% H 1 0.785 0.020 A 23 VAL C C 13 175.829 0.1 A 23 VAL CA C 13 59.870 0.1 A 23 VAL CB C 13 35.396 0.1 A 23 VAL CG1 C 13 22.432 0.1 A 23 VAL CG2 C 13 21.812 0.1 A 23 VAL N N 15 119.721 0.1 A 24 LYS H H 1 9.483 0.020 A 24 LYS HA H 1 4.350 0.001 A 24 LYS HBy H 1 1.685 0.020 A 24 LYS HBx H 1 1.302 0.020 A 24 LYS HDx H 1 1.659 0.001 A 24 LYS HDy H 1 1.659 0.001 A 24 LYS HEx H 1 3.044 0.002 A 24 LYS HEy H 1 3.044 0.002 A 24 LYS HGy H 1 1.416 0.020 A 24 LYS HGx H 1 1.349 0.020 A 24 LYS C C 13 176.606 0.1 A 24 LYS CA C 13 58.977 0.1 A 24 LYS CB C 13 34.567 0.1 A 24 LYS CD C 13 30.359 0.1 A 24 LYS CE C 13 42.191 0.1 A 24 LYS CG C 13 25.759 0.1 A 24 LYS N N 15 128.029 0.1 A 25 HIS H H 1 7.223 0.020 A 25 HIS HA H 1 4.979 0.020 A 25 HIS HBy H 1 3.655 0.001 A 25 HIS HBx H 1 3.107 0.020 A 25 HIS HD2 H 1 6.578 0.020 A 25 HIS HE1 H 1 7.859 0.020 A 25 HIS C C 13 178.434 0.1 A 25 HIS CA C 13 55.406 0.1 A 25 HIS CB C 13 32.904 0.1 A 25 HIS CD2 C 13 121.435 0.1 A 25 HIS CE1 C 13 138.518 0.1 A 25 HIS N N 15 109.556 0.1 A 26 LEU H H 1 8.149 0.020 A 26 LEU HA H 1 5.190 0.020 A 26 LEU HBy H 1 1.708 0.020 A 26 LEU HBx H 1 1.272 0.020 A 26 LEU HDx% H 1 0.579 0.020 A 26 LEU HDy% H 1 0.793 0.020 A 26 LEU HG H 1 1.491 0.020 A 26 LEU C C 13 175.510 0.1 A 26 LEU CA C 13 53.480 0.1 A 26 LEU CB C 13 45.235 0.1 A 26 LEU CD1 C 13 26.013 0.1 A 26 LEU CD2 C 13 24.187 0.1 A 26 LEU CG C 13 26.337 0.1 A 26 LEU N N 15 117.106 0.1 A 27 LYS H H 1 9.578 0.020 A 27 LYS HA H 1 5.385 0.002 A 27 LYS HBx H 1 1.579 0.002 A 27 LYS HBy H 1 1.579 0.002 A 27 LYS HDy H 1 1.096 0.020 A 27 LYS HDx H 1 1.008 0.001 A 27 LYS HEy H 1 2.507 0.002 A 27 LYS HEx H 1 2.331 0.001 A 27 LYS HGx H 1 1.048 0.020 A 27 LYS HGy H 1 1.274 0.020 A 27 LYS C C 13 174.801 0.1 A 27 LYS CA C 13 55.165 0.1 A 27 LYS CB C 13 35.253 0.1 A 27 LYS CD C 13 29.925 0.1 A 27 LYS CE C 13 41.402 0.1 A 27 LYS CG C 13 25.559 0.1 A 27 LYS N N 15 123.488 0.1 A 28 ILE H H 1 9.133 0.020 A 28 ILE HA H 1 4.925 0.002 A 28 ILE HB H 1 1.876 0.020 A 28 ILE HD1% H 1 0.795 0.020 A 28 ILE HG1x H 1 1.519 0.020 A 28 ILE HG1y H 1 1.519 0.020 A 28 ILE HG2% H 1 0.973 0.002 A 28 ILE C C 13 176.949 0.1 A 28 ILE CA C 13 60.542 0.1 A 28 ILE CB C 13 39.600 0.1 A 28 ILE CD1 C 13 14.047 0.1 A 28 ILE CG1 C 13 27.631 0.1 A 28 ILE CG2 C 13 18.698 0.1 A 28 ILE N N 15 123.846 0.1 A 29 LEU H H 1 8.830 0.020 A 29 LEU HA H 1 4.533 0.020 A 29 LEU HBy H 1 2.338 0.020 A 29 LEU HBx H 1 1.957 0.020 A 29 LEU HDx% H 1 0.896 0.020 A 29 LEU HDy% H 1 0.823 0.020 A 29 LEU C C 13 176.012 0.1 A 29 LEU CA C 13 55.406 0.1 A 29 LEU CB C 13 43.180 0.1 A 29 LEU CD1 C 13 25.808 0.1 A 29 LEU CD2 C 13 23.425 0.1 A 29 LEU N N 15 128.649 0.1 A 30 ASN H H 1 8.211 0.020 A 30 ASN HA H 1 5.014 0.020 A 30 ASN HBy H 1 2.919 0.020 A 30 ASN HBx H 1 2.368 0.020 A 30 ASN HD2y H 1 7.606 0.020 A 30 ASN HD2x H 1 6.255 0.020 A 30 ASN C C 13 174.664 0.1 A 30 ASN CA C 13 52.517 0.1 A 30 ASN CB C 13 38.776 0.1 A 30 ASN N N 15 120.791 0.1 A 30 ASN ND2 N 15 111.738 0.1 A 31 THR H H 1 7.896 0.020 A 31 THR HA H 1 4.842 0.001 A 31 THR HB H 1 4.195 0.001 A 31 THR HG2% H 1 1.205 0.020 A 31 THR CA C 13 58.369 0.1 A 31 THR CB C 13 70.011 0.1 A 31 THR CG2 C 13 22.136 0.1 A 31 THR N N 15 115.811 0.1 A 32 PRO HA H 1 4.317 0.020 A 32 PRO HBx H 1 1.866 0.020 A 32 PRO HBy H 1 2.334 0.001 A 32 PRO HDx H 1 3.775 0.020 A 32 PRO HDy H 1 3.775 0.020 A 32 PRO HGx H 1 1.966 0.020 A 32 PRO HGy H 1 1.966 0.020 A 32 PRO CA C 13 65.164 0.1 A 32 PRO CB C 13 32.484 0.1 A 32 PRO CD C 13 51.251 0.1 A 32 PRO CG C 13 27.631 0.1 A 33 ASN H H 1 8.256 0.020 A 33 ASN HA H 1 4.651 0.020 A 33 ASN HBx H 1 2.759 0.020 A 33 ASN HBy H 1 2.759 0.020 A 33 ASN HD2y H 1 7.570 0.020 A 33 ASN HD2x H 1 6.892 0.020 A 33 ASN C C 13 174.710 0.1 A 33 ASN CA C 13 54.532 0.1 A 33 ASN CB C 13 39.167 0.1 A 33 ASN N N 15 120.081 0.1 A 33 ASN ND2 N 15 112.472 0.1 A 34 CYS H H 1 7.548 0.020 A 34 CYS HA H 1 4.693 0.006 A 34 CYS HBy H 1 3.155 0.003 A 34 CYS HBx H 1 3.027 0.020 A 34 CYS C C 13 173.865 0.1 A 34 CYS CA C 13 55.447 0.1 A 34 CYS CB C 13 45.228 0.1 A 34 CYS N N 15 117.076 0.1 A 35 ALA H H 1 8.469 0.020 A 35 ALA HA H 1 4.252 0.020 A 35 ALA HB% H 1 1.463 0.020 A 35 ALA C C 13 176.423 0.1 A 35 ALA CA C 13 53.537 0.1 A 35 ALA CB C 13 19.202 0.1 A 35 ALA N N 15 125.153 0.1 A 36 CYS H H 1 8.315 0.020 A 36 CYS HA H 1 4.211 0.020 A 36 CYS HBy H 1 3.477 0.020 A 36 CYS HBx H 1 2.666 0.020 A 36 CYS C C 13 173.705 0.1 A 36 CYS CA C 13 58.616 0.1 A 36 CYS CB C 13 45.705 0.1 A 36 CYS N N 15 118.837 0.1 A 37 GLN H H 1 8.926 0.020 A 37 GLN HA H 1 4.609 0.020 A 37 GLN HBx H 1 2.328 0.020 A 37 GLN HBy H 1 2.328 0.020 A 37 GLN HE2y H 1 7.252 0.020 A 37 GLN HE2x H 1 6.892 0.020 A 37 GLN HGx H 1 2.557 0.020 A 37 GLN HGy H 1 2.557 0.020 A 37 GLN C C 13 173.636 0.1 A 37 GLN CA C 13 54.603 0.1 A 37 GLN CB C 13 31.761 0.1 A 37 GLN CG C 13 34.722 0.1 A 37 GLN N N 15 128.567 0.1 A 37 GLN NE2 N 15 112.750 0.1 A 38 ILE H H 1 8.874 0.020 A 38 ILE HA H 1 5.093 0.001 A 38 ILE HB H 1 1.800 0.001 A 38 ILE HD1% H 1 0.728 0.020 A 38 ILE HG1x H 1 1.815 0.002 A 38 ILE HG1y H 1 1.815 0.002 A 38 ILE HG2% H 1 0.761 0.020 A 38 ILE C C 13 174.390 0.1 A 38 ILE CA C 13 60.582 0.1 A 38 ILE CB C 13 40.048 0.1 A 38 ILE CD1 C 13 14.371 0.1 A 38 ILE CG1 C 13 28.553 0.1 A 38 ILE CG2 C 13 19.224 0.1 A 38 ILE N N 15 123.962 0.1 A 39 VAL H H 1 9.120 0.020 A 39 VAL HA H 1 4.905 0.020 A 39 VAL HB H 1 2.186 0.020 A 39 VAL HGx% H 1 0.896 0.020 A 39 VAL HGy% H 1 0.986 0.020 A 39 VAL C C 13 175.487 0.1 A 39 VAL CA C 13 59.980 0.1 A 39 VAL CB C 13 35.868 0.1 A 39 VAL CG1 C 13 22.136 0.1 A 39 VAL CG2 C 13 22.136 0.1 A 39 VAL N N 15 126.354 0.1 A 40 ALA H H 1 9.513 0.020 A 40 ALA HA H 1 5.154 0.020 A 40 ALA HB% H 1 1.341 0.020 A 40 ALA C C 13 175.944 0.1 A 40 ALA CA C 13 50.591 0.1 A 40 ALA CB C 13 22.432 0.1 A 40 ALA N N 15 128.406 0.1 A 41 ARG H H 1 7.706 0.020 A 41 ARG HA H 1 4.978 0.005 A 41 ARG HBx H 1 1.474 0.002 A 41 ARG HBy H 1 1.474 0.002 A 41 ARG HDx H 1 3.111 0.001 A 41 ARG HDy H 1 3.111 0.001 A 41 ARG HGx H 1 1.383 0.020 A 41 ARG HGy H 1 1.383 0.020 A 41 ARG C C 13 175.510 0.1 A 41 ARG CA C 13 54.162 0.1 A 41 ARG CB C 13 31.200 0.1 A 41 ARG CD C 13 42.649 0.1 A 41 ARG CG C 13 27.631 0.1 A 41 ARG N N 15 121.663 0.1 A 42 LEU H H 1 9.164 0.020 A 42 LEU HA H 1 5.023 0.020 A 42 LEU HBx H 1 1.790 0.020 A 42 LEU HBy H 1 2.207 0.020 A 42 LEU HDx% H 1 1.022 0.020 A 42 LEU HDy% H 1 0.807 0.020 A 42 LEU HG H 1 1.813 0.020 A 42 LEU C C 13 177.840 0.1 A 42 LEU CA C 13 54.724 0.1 A 42 LEU CB C 13 41.712 0.1 A 42 LEU CD1 C 13 25.759 0.1 A 42 LEU CD2 C 13 23.452 0.1 A 42 LEU CG C 13 27.815 0.1 A 42 LEU N N 15 129.087 0.1 A 43 LYS H H 1 8.414 0.020 A 43 LYS HA H 1 3.954 0.004 A 43 LYS HBy H 1 1.900 0.020 A 43 LYS HBx H 1 1.707 0.002 A 43 LYS HDx H 1 1.656 0.020 A 43 LYS HDy H 1 1.767 0.001 A 43 LYS HEx H 1 3.054 0.004 A 43 LYS HEy H 1 3.054 0.004 A 43 LYS HGy H 1 1.344 0.004 A 43 LYS HGx H 1 1.260 0.022 A 43 LYS CA C 13 59.016 0.1 A 43 LYS CB C 13 34.102 0.1 A 43 LYS CD C 13 29.896 0.1 A 43 LYS CG C 13 26.660 0.1 A 43 LYS N N 15 119.674 0.1 A 46 ASN HA H 1 4.723 0.020 A 46 ASN HBy H 1 3.133 0.020 A 46 ASN HBx H 1 2.766 0.020 A 46 ASN HD2y H 1 7.573 0.020 A 46 ASN HD2x H 1 6.925 0.020 A 46 ASN C C 13 175.098 0.1 A 46 ASN CA C 13 54.764 0.1 A 46 ASN CB C 13 39.265 0.1 A 46 ASN ND2 N 15 113.190 0.1 A 47 ARG H H 1 7.914 0.020 A 47 ARG HA H 1 4.352 0.001 A 47 ARG HBx H 1 1.797 0.020 A 47 ARG HBy H 1 1.797 0.020 A 47 ARG HDy H 1 3.222 0.020 A 47 ARG HDx H 1 3.172 0.020 A 47 ARG HGy H 1 1.662 0.001 A 47 ARG HGx H 1 1.598 0.002 A 47 ARG C C 13 175.601 0.1 A 47 ARG CA C 13 57.051 0.1 A 47 ARG CB C 13 32.121 0.1 A 47 ARG CD C 13 43.767 0.1 A 47 ARG CG C 13 28.500 0.1 A 47 ARG N N 15 119.826 0.1 A 48 GLN H H 1 8.542 0.020 A 48 GLN HA H 1 5.495 0.020 A 48 GLN HBy H 1 1.988 0.020 A 48 GLN HBx H 1 1.873 0.020 A 48 GLN HE2y H 1 7.608 0.020 A 48 GLN HE2x H 1 7.082 0.020 A 48 GLN HGx H 1 2.435 0.001 A 48 GLN HGy H 1 2.435 0.001 A 48 GLN C C 13 175.578 0.1 A 48 GLN CA C 13 55.125 0.1 A 48 GLN CB C 13 32.121 0.1 A 48 GLN CG C 13 36.035 0.1 A 48 GLN N N 15 120.767 0.1 A 48 GLN NE2 N 15 111.045 0.1 A 49 VAL H H 1 8.649 0.020 A 49 VAL HA H 1 4.833 0.020 A 49 VAL HB H 1 2.186 0.020 A 49 VAL HGx% H 1 0.967 0.020 A 49 VAL HGy% H 1 0.946 0.020 A 49 VAL C C 13 175.258 0.1 A 49 VAL CA C 13 59.338 0.1 A 49 VAL CB C 13 36.155 0.1 A 49 VAL CG1 C 13 21.943 0.1 A 49 VAL CG2 C 13 19.918 0.1 A 49 VAL N N 15 116.678 0.1 A 50 CYS H H 1 9.099 0.020 A 50 CYS HA H 1 5.308 0.020 A 50 CYS HBy H 1 3.698 0.020 A 50 CYS HBx H 1 2.973 0.020 A 50 CYS C C 13 174.527 0.1 A 50 CYS CA C 13 58.054 0.1 A 50 CYS CB C 13 43.375 0.1 A 50 CYS N N 15 124.549 0.1 A 51 ILE H H 1 8.479 0.020 A 51 ILE HA H 1 4.974 0.020 A 51 ILE HB H 1 1.575 0.020 A 51 ILE HD1% H 1 0.759 0.020 A 51 ILE HG1y H 1 1.379 0.020 A 51 ILE HG1x H 1 1.178 0.020 A 51 ILE HG2% H 1 0.765 0.020 A 51 ILE C C 13 173.019 0.1 A 51 ILE CA C 13 58.897 0.1 A 51 ILE CB C 13 42.201 0.1 A 51 ILE CD1 C 13 14.665 0.1 A 51 ILE CG1 C 13 28.010 0.1 A 51 ILE CG2 C 13 18.126 0.1 A 51 ILE N N 15 122.581 0.1 A 52 ASP H H 1 7.642 0.020 A 52 ASP HA H 1 3.619 0.020 A 52 ASP HBy H 1 2.720 0.003 A 52 ASP HBx H 1 2.247 0.001 A 52 ASP CA C 13 51.574 0.1 A 52 ASP CB C 13 42.515 0.1 A 52 ASP N N 15 125.772 0.1 A 53 PRO HA H 1 4.023 0.001 A 53 PRO HBx H 1 1.904 0.002 A 53 PRO HBy H 1 2.178 0.020 A 53 PRO HDx H 1 3.442 0.001 A 53 PRO HDy H 1 3.442 0.001 A 53 PRO HGy H 1 1.892 0.001 A 53 PRO HGx H 1 1.825 0.020 A 53 PRO C C 13 176.126 0.1 A 53 PRO CA C 13 63.993 0.1 A 53 PRO CB C 13 33.002 0.1 A 53 PRO CD C 13 51.251 0.1 A 53 PRO CG C 13 27.631 0.1 A 54 LYS H H 1 7.930 0.020 A 54 LYS HA H 1 4.000 0.002 A 54 LYS HBy H 1 1.787 0.020 A 54 LYS HBx H 1 1.747 0.020 A 54 LYS HDx H 1 1.710 0.003 A 54 LYS HDy H 1 1.710 0.003 A 54 LYS HEx H 1 3.040 0.002 A 54 LYS HEy H 1 3.040 0.002 A 54 LYS HGy H 1 1.417 0.001 A 54 LYS HGx H 1 1.361 0.020 A 54 LYS C C 13 177.931 0.1 A 54 LYS CA C 13 56.770 0.1 A 54 LYS CB C 13 32.023 0.1 A 54 LYS CD C 13 28.925 0.1 A 54 LYS CE C 13 41.868 0.1 A 54 LYS CG C 13 25.270 0.1 A 54 LYS N N 15 112.924 0.1 A 55 LEU H H 1 7.161 0.020 A 55 LEU HA H 1 4.065 0.001 A 55 LEU HBy H 1 1.272 0.020 A 55 LEU HBx H 1 1.072 0.020 A 55 LEU HDx% H 1 1.095 0.020 A 55 LEU HDy% H 1 1.094 0.020 A 55 LEU HG H 1 1.927 0.020 A 55 LEU C C 13 179.416 0.1 A 55 LEU CA C 13 56.088 0.1 A 55 LEU CB C 13 42.397 0.1 A 55 LEU CD1 C 13 26.013 0.1 A 55 LEU CD2 C 13 23.425 0.1 A 55 LEU CG C 13 27.631 0.1 A 55 LEU N N 15 120.593 0.1 A 56 LYS H H 1 8.716 0.020 A 56 LYS HA H 1 3.937 0.020 A 56 LYS HBx H 1 2.049 0.020 A 56 LYS HBy H 1 2.049 0.020 A 56 LYS HDy H 1 1.833 0.020 A 56 LYS HDx H 1 1.798 0.002 A 56 LYS HEx H 1 3.102 0.001 A 56 LYS HEy H 1 3.102 0.001 A 56 LYS HGy H 1 1.613 0.001 A 56 LYS HGx H 1 1.571 0.003 A 56 LYS C C 13 178.937 0.1 A 56 LYS CA C 13 60.301 0.1 A 56 LYS CB C 13 32.121 0.1 A 56 LYS CD C 13 29.576 0.1 A 56 LYS CE C 13 42.495 0.1 A 56 LYS CG C 13 25.074 0.1 A 56 LYS N N 15 125.479 0.1 A 57 TRP H H 1 7.827 0.020 A 57 TRP HA H 1 4.664 0.020 A 57 TRP HBy H 1 3.633 0.020 A 57 TRP HBx H 1 3.317 0.020 A 57 TRP HD1 H 1 7.738 0.020 A 57 TRP HE1 H 1 10.306 0.020 A 57 TRP HE3 H 1 7.376 0.020 A 57 TRP HH2 H 1 6.723 0.020 A 57 TRP HZ2 H 1 7.025 0.020 A 57 TRP HZ3 H 1 6.641 0.020 A 57 TRP C C 13 178.868 0.1 A 57 TRP CA C 13 58.897 0.1 A 57 TRP CB C 13 28.036 0.1 A 57 TRP CD1 C 13 128.682 0.1 A 57 TRP CE3 C 13 121.176 0.1 A 57 TRP CH2 C 13 124.023 0.1 A 57 TRP CZ2 C 13 113.929 0.1 A 57 TRP CZ3 C 13 121.176 0.1 A 57 TRP N N 15 113.433 0.1 A 57 TRP NE1 N 15 130.751 0.1 A 58 ILE H H 1 6.458 0.020 A 58 ILE HA H 1 3.325 0.020 A 58 ILE HB H 1 1.762 0.020 A 58 ILE HD1% H 1 0.554 0.020 A 58 ILE HG1x H 1 -0.371 0.020 A 58 ILE HG1y H 1 0.152 0.020 A 58 ILE HG2% H 1 0.553 0.020 A 58 ILE C C 13 177.726 0.1 A 58 ILE CA C 13 64.314 0.1 A 58 ILE CB C 13 35.897 0.1 A 58 ILE CD1 C 13 16.899 0.1 A 58 ILE CG1 C 13 26.986 0.1 A 58 ILE CG2 C 13 17.283 0.1 A 58 ILE N N 15 124.379 0.1 A 59 GLN H H 1 7.622 0.020 A 59 GLN HA H 1 3.763 0.020 A 59 GLN HBy H 1 2.264 0.020 A 59 GLN HBx H 1 2.220 0.020 A 59 GLN HE2x H 1 7.084 0.020 A 59 GLN HE2y H 1 7.933 0.020 A 59 GLN HGx H 1 2.401 0.001 A 59 GLN HGy H 1 2.401 0.001 A 59 GLN C C 13 178.434 0.1 A 59 GLN CA C 13 59.379 0.1 A 59 GLN CB C 13 28.602 0.1 A 59 GLN CG C 13 34.102 0.1 A 59 GLN N N 15 119.070 0.1 A 59 GLN NE2 N 15 115.402 0.1 A 60 GLU H H 1 8.064 0.020 A 60 GLU HA H 1 4.093 0.020 A 60 GLU HBx H 1 2.134 0.020 A 60 GLU HBy H 1 2.257 0.020 A 60 GLU HGy H 1 2.552 0.020 A 60 GLU HGx H 1 2.295 0.020 A 60 GLU C C 13 179.051 0.1 A 60 GLU CA C 13 59.659 0.1 A 60 GLU CB C 13 30.457 0.1 A 60 GLU CG C 13 37.308 0.1 A 60 GLU N N 15 117.166 0.1 A 61 TYR H H 1 7.913 0.020 A 61 TYR HA H 1 4.265 0.020 A 61 TYR HBx H 1 3.317 0.020 A 61 TYR HBy H 1 3.445 0.020 A 61 TYR HD1 H 1 7.178 0.020 A 61 TYR HD2 H 1 7.178 0.020 A 61 TYR HE1 H 1 6.841 0.020 A 61 TYR HE2 H 1 6.841 0.020 A 61 TYR C C 13 178.617 0.1 A 61 TYR CA C 13 61.184 0.1 A 61 TYR CB C 13 39.461 0.1 A 61 TYR CD1 C 13 133.083 0.1 A 61 TYR CE1 C 13 118.070 0.1 A 61 TYR N N 15 121.271 0.1 A 62 LEU H H 1 8.252 0.020 A 62 LEU HA H 1 3.977 0.020 A 62 LEU HBy H 1 1.963 0.020 A 62 LEU HBx H 1 1.261 0.020 A 62 LEU HDx% H 1 0.720 0.020 A 62 LEU HDy% H 1 0.772 0.020 A 62 LEU HG H 1 1.933 0.020 A 62 LEU C C 13 179.553 0.1 A 62 LEU CA C 13 58.014 0.1 A 62 LEU CB C 13 42.397 0.1 A 62 LEU CD1 C 13 26.604 0.1 A 62 LEU CD2 C 13 23.313 0.1 A 62 LEU CG C 13 26.738 0.1 A 62 LEU N N 15 116.299 0.1 A 63 GLU H H 1 8.453 0.020 A 63 GLU HA H 1 3.853 0.001 A 63 GLU HBy H 1 2.257 0.020 A 63 GLU HBx H 1 2.104 0.020 A 63 GLU HGy H 1 2.489 0.020 A 63 GLU HGx H 1 2.269 0.020 A 63 GLU C C 13 179.279 0.1 A 63 GLU CA C 13 60.301 0.1 A 63 GLU CB C 13 29.870 0.1 A 63 GLU CG C 13 37.406 0.1 A 63 GLU N N 15 118.616 0.1 A 64 LYS H H 1 7.571 0.020 A 64 LYS HA H 1 4.225 0.002 A 64 LYS HBx H 1 1.957 0.001 A 64 LYS HBy H 1 2.017 0.001 A 64 LYS HDx H 1 1.728 0.001 A 64 LYS HDy H 1 1.728 0.001 A 64 LYS HEx H 1 3.022 0.020 A 64 LYS HEy H 1 3.022 0.020 A 64 LYS HGy H 1 1.664 0.002 A 64 LYS HGx H 1 1.620 0.001 A 64 LYS C C 13 178.457 0.1 A 64 LYS CA C 13 58.496 0.1 A 64 LYS CB C 13 32.400 0.1 A 64 LYS CD C 13 29.249 0.1 A 64 LYS CE C 13 42.838 0.1 A 64 LYS CG C 13 25.336 0.1 A 64 LYS N N 15 117.166 0.1 A 65 CYS H H 1 7.916 0.020 A 65 CYS HA H 1 4.561 0.003 A 65 CYS HBy H 1 3.100 0.002 A 65 CYS HBx H 1 2.995 0.020 A 65 CYS C C 13 174.893 0.1 A 65 CYS CA C 13 56.329 0.1 A 65 CYS CB C 13 45.235 0.1 A 65 CYS N N 15 115.312 0.1 A 66 LEU H H 1 7.556 0.020 A 66 LEU HA H 1 4.520 0.020 A 66 LEU HBy H 1 1.760 0.020 A 66 LEU HBx H 1 1.609 0.020 A 66 LEU HDx% H 1 0.889 0.020 A 66 LEU HDy% H 1 0.890 0.020 A 66 LEU HG H 1 1.709 0.020 A 66 LEU C C 13 176.812 0.1 A 66 LEU CA C 13 55.366 0.1 A 66 LEU CB C 13 43.278 0.1 A 66 LEU CD1 C 13 26.013 0.1 A 66 LEU CD2 C 13 23.998 0.1 A 66 LEU CG C 13 27.307 0.1 A 66 LEU N N 15 120.930 0.1 A 67 ASN H H 1 8.266 0.020 A 67 ASN HA H 1 4.681 0.020 A 67 ASN HBy H 1 2.859 0.020 A 67 ASN HBx H 1 2.624 0.020 A 67 ASN HD2y H 1 7.542 0.020 A 67 ASN HD2x H 1 6.816 0.020 A 67 ASN CA C 13 53.761 0.1 A 67 ASN CB C 13 39.069 0.1 A 67 ASN N N 15 120.279 0.1 A 67 ASN ND2 N 15 111.986 0.1 A 68 LYS H H 1 7.833 0.020 A 68 LYS HA H 1 4.198 0.003 A 68 LYS HBy H 1 1.863 0.020 A 68 LYS HBx H 1 1.713 0.001 A 68 LYS HDx H 1 1.698 0.020 A 68 LYS HDy H 1 1.698 0.020 A 68 LYS HEx H 1 3.035 0.002 A 68 LYS HEy H 1 3.035 0.002 A 68 LYS HGx H 1 1.412 0.002 A 68 LYS HGy H 1 1.412 0.002 A 68 LYS CA C 13 57.722 0.1 A 68 LYS CB C 13 34.102 0.1 A 68 LYS CD C 13 29.572 0.1 A 68 LYS CG C 13 25.042 0.1 A 68 LYS N N 15 127.034 0.1 B 101 MET HA H 1 4.511 0.020 B 101 MET HBy H 1 2.176 0.020 B 101 MET HBx H 1 2.066 0.020 B 101 MET HGy H 1 2.675 0.002 B 101 MET HGx H 1 2.594 0.020 B 101 MET C C 13 176.332 0.1 B 101 MET CA C 13 55.902 0.1 B 101 MET CB C 13 33.026 0.1 B 102 GLU H H 1 8.376 0.020 B 102 GLU HA H 1 4.335 0.020 B 102 GLU HBy H 1 2.107 0.020 B 102 GLU HBx H 1 2.005 0.003 B 102 GLU HGx H 1 2.312 0.020 B 102 GLU HGy H 1 2.312 0.020 B 102 GLU C C 13 177.132 0.1 B 102 GLU CA C 13 57.410 0.1 B 102 GLU CG C 13 36.797 0.1 B 102 GLU N N 15 121.884 0.1 B 103 GLY H H 1 8.380 0.020 B 103 GLY HAx H 1 4.003 0.020 B 103 GLY HAy H 1 4.003 0.020 B 103 GLY C C 13 174.207 0.1 B 103 GLY CA C 13 45.750 0.1 B 103 GLY N N 15 110.055 0.1 B 104 ILE H H 1 7.851 0.020 B 104 ILE HA H 1 4.305 0.020 B 104 ILE HB H 1 1.936 0.020 B 104 ILE HD1% H 1 0.897 0.020 B 104 ILE HG1y H 1 1.480 0.020 B 104 ILE HG1x H 1 1.215 0.020 B 104 ILE HG2% H 1 0.948 0.020 B 104 ILE C C 13 176.401 0.1 B 104 ILE CA C 13 61.558 0.1 B 104 ILE CB C 13 39.436 0.1 B 104 ILE CD1 C 13 13.418 0.1 B 104 ILE CG1 C 13 27.496 0.1 B 104 ILE CG2 C 13 18.069 0.1 B 104 ILE N N 15 119.606 0.1 B 105 SER H H 1 8.369 0.020 B 105 SER HA H 1 4.564 0.020 B 105 SER HBy H 1 3.896 0.020 B 105 SER HBx H 1 3.855 0.020 B 105 SER C C 13 174.550 0.1 B 105 SER CA C 13 58.667 0.1 B 105 SER CB C 13 64.072 0.1 B 105 SER N N 15 119.853 0.1 B 106 ILE H H 1 7.953 0.020 B 106 ILE HA H 1 4.224 0.020 B 106 ILE HB H 1 1.817 0.020 B 106 ILE HD1% H 1 0.827 0.020 B 106 ILE HG1y H 1 1.239 0.020 B 106 ILE HG1x H 1 1.096 0.020 B 106 ILE HG2% H 1 0.829 0.020 B 106 ILE C C 13 175.921 0.1 B 106 ILE CA C 13 61.935 0.1 B 106 ILE CB C 13 39.436 0.1 B 106 ILE CD1 C 13 13.418 0.1 B 106 ILE CG1 C 13 27.370 0.1 B 106 ILE CG2 C 13 18.069 0.1 B 106 ILE N N 15 121.730 0.1 B 107 TYR H H 1 8.171 0.020 B 107 TYR HA H 1 4.736 0.003 B 107 TYR HBx H 1 2.957 0.002 B 107 TYR HBy H 1 3.141 0.001 B 107 TYR HD1 H 1 7.139 0.020 B 107 TYR HD2 H 1 7.139 0.020 B 107 TYR HE1 H 1 6.851 0.020 B 107 TYR HE2 H 1 6.851 0.020 B 107 TYR C C 13 176.058 0.1 B 107 TYR CA C 13 58.165 0.1 B 107 TYR CB C 13 39.436 0.1 B 107 TYR CD1 C 13 133.600 0.1 B 107 TYR CE1 C 13 118.588 0.1 B 107 TYR N N 15 123.598 0.1 B 108 THR H H 1 7.986 0.020 B 108 THR HA H 1 4.452 0.020 B 108 THR HB H 1 4.302 0.020 B 108 THR HG2% H 1 1.224 0.020 B 108 THR C C 13 174.459 0.1 B 108 THR CA C 13 62.061 0.1 B 108 THR CB C 13 70.608 0.1 B 108 THR CG2 C 13 21.965 0.1 B 108 THR N N 15 115.642 0.1 B 109 SER H H 1 8.193 0.020 B 109 SER HA H 1 4.526 0.020 B 109 SER HBy H 1 3.972 0.020 B 109 SER HBx H 1 3.928 0.020 B 109 SER C C 13 174.504 0.1 B 109 SER CA C 13 58.919 0.1 B 109 SER CB C 13 64.198 0.1 B 109 SER N N 15 117.597 0.1 B 110 ASP H H 1 8.351 0.020 B 110 ASP HA H 1 4.650 0.020 B 110 ASP HBy H 1 2.723 0.020 B 110 ASP HBx H 1 2.663 0.020 B 110 ASP C C 13 176.058 0.1 B 110 ASP CA C 13 55.022 0.1 B 110 ASP CB C 13 41.825 0.1 B 110 ASP N N 15 122.020 0.1 B 111 ASN H H 1 8.230 0.020 B 111 ASN HA H 1 4.745 0.020 B 111 ASN HBy H 1 2.869 0.020 B 111 ASN HBx H 1 2.726 0.020 B 111 ASN C C 13 175.030 0.1 B 111 ASN CA C 13 53.765 0.1 B 111 ASN CB C 13 39.562 0.1 B 111 ASN N N 15 118.317 0.1 B 112 TYR H H 1 8.101 0.020 B 112 TYR HA H 1 4.645 0.001 B 112 TYR HBy H 1 3.072 0.020 B 112 TYR HBx H 1 3.059 0.020 B 112 TYR HD1 H 1 7.147 0.020 B 112 TYR HD2 H 1 7.147 0.020 B 112 TYR HE1 H 1 6.860 0.020 B 112 TYR HE2 H 1 6.860 0.020 B 112 TYR C C 13 176.081 0.1 B 112 TYR CA C 13 58.793 0.1 B 112 TYR CB C 13 39.436 0.1 B 112 TYR CD1 C 13 133.600 0.1 B 112 TYR CE1 C 13 118.588 0.1 B 112 TYR N N 15 121.125 0.1 B 113 THR H H 1 7.900 0.020 B 113 THR HA H 1 4.332 0.020 B 113 THR HB H 1 4.230 0.020 B 113 THR HG2% H 1 1.192 0.020 B 113 THR C C 13 174.413 0.1 B 113 THR CA C 13 62.187 0.1 B 113 THR CB C 13 70.341 0.1 B 113 THR CG2 C 13 21.965 0.1 B 113 THR N N 15 116.394 0.1 B 114 GLU H H 1 8.283 0.020 B 114 GLU HA H 1 4.275 0.020 B 114 GLU HBy H 1 2.114 0.020 B 114 GLU HBx H 1 2.002 0.020 B 114 GLU HGx H 1 2.312 0.020 B 114 GLU HGy H 1 2.312 0.020 B 114 GLU C C 13 176.766 0.1 B 114 GLU CA C 13 57.410 0.1 B 114 GLU CB C 13 30.638 0.1 B 114 GLU CG C 13 36.923 0.1 B 114 GLU N N 15 123.052 0.1 B 115 GLU H H 1 8.370 0.020 B 115 GLU HA H 1 4.325 0.020 B 115 GLU HBy H 1 2.103 0.020 B 115 GLU HBx H 1 1.998 0.020 B 115 GLU HGx H 1 2.314 0.020 B 115 GLU HGy H 1 2.314 0.020 B 115 GLU C C 13 176.880 0.1 B 115 GLU CA C 13 57.410 0.1 B 115 GLU CB C 13 30.512 0.1 B 115 GLU CG C 13 36.923 0.1 B 115 GLU N N 15 121.688 0.1 B 116 MET H H 1 8.314 0.020 B 116 MET HA H 1 4.509 0.020 B 116 MET HBy H 1 2.146 0.020 B 116 MET HBx H 1 2.065 0.020 B 116 MET HGy H 1 2.653 0.020 B 116 MET HGx H 1 2.565 0.037 B 116 MET C C 13 177.086 0.1 B 116 MET CA C 13 56.279 0.1 B 116 MET CB C 13 33.026 0.1 B 116 MET N N 15 121.270 0.1 B 117 GLY H H 1 8.384 0.020 B 117 GLY HAx H 1 4.061 0.020 B 117 GLY HAy H 1 4.061 0.020 B 117 GLY C C 13 174.481 0.1 B 117 GLY CA C 13 45.847 0.1 B 117 GLY N N 15 110.055 0.1 B 118 SER H H 1 8.250 0.020 B 118 SER HA H 1 4.495 0.020 B 118 SER HBy H 1 3.971 0.020 B 118 SER HBx H 1 3.912 0.020 B 118 SER C C 13 175.327 0.1 B 118 SER CA C 13 58.919 0.1 B 118 SER CB C 13 64.575 0.1 B 118 SER N N 15 115.664 0.1 B 119 GLY H H 1 8.429 0.020 B 119 GLY HAx H 1 4.000 0.020 B 119 GLY HAy H 1 4.000 0.020 B 119 GLY C C 13 174.002 0.1 B 119 GLY CA C 13 45.721 0.1 B 119 GLY N N 15 110.872 0.1 B 120 ASP H H 1 8.127 0.020 B 120 ASP HA H 1 4.634 0.020 B 120 ASP HBy H 1 2.667 0.020 B 120 ASP HBx H 1 2.562 0.020 B 120 ASP C C 13 176.355 0.1 B 120 ASP CA C 13 54.771 0.1 B 120 ASP CB C 13 41.699 0.1 B 120 ASP N N 15 120.530 0.1 B 121 TYR H H 1 8.097 0.020 B 121 TYR HA H 1 4.555 0.005 B 121 TYR HBx H 1 3.009 0.020 B 121 TYR HBy H 1 3.131 0.020 B 121 TYR HD1 H 1 7.128 0.020 B 121 TYR HD2 H 1 7.128 0.020 B 121 TYR HE1 H 1 6.854 0.020 B 121 TYR HE2 H 1 6.854 0.020 B 121 TYR C C 13 176.058 0.1 B 121 TYR CA C 13 58.667 0.1 B 121 TYR CB C 13 39.311 0.1 B 121 TYR CD1 C 13 133.600 0.1 B 121 TYR CE1 C 13 118.588 0.1 B 121 TYR N N 15 120.584 0.1 B 122 ASP H H 1 8.224 0.020 B 122 ASP HA H 1 4.621 0.020 B 122 ASP HBy H 1 2.731 0.020 B 122 ASP HBx H 1 2.663 0.020 B 122 ASP C C 13 176.835 0.1 B 122 ASP CA C 13 55.022 0.1 B 122 ASP CB C 13 41.825 0.1 B 122 ASP N N 15 121.815 0.1 B 123 SER H H 1 8.137 0.020 B 123 SER HA H 1 4.394 0.020 B 123 SER HBy H 1 3.983 0.020 B 123 SER HBx H 1 3.936 0.020 B 123 SER C C 13 175.075 0.1 B 123 SER CA C 13 59.547 0.1 B 123 SER CB C 13 63.540 0.1 B 123 SER N N 15 116.405 0.1 B 124 MET H H 1 8.221 0.020 B 124 MET HA H 1 4.500 0.002 B 124 MET HBy H 1 2.156 0.002 B 124 MET HBx H 1 2.082 0.001 B 124 MET HGy H 1 2.645 0.005 B 124 MET HGx H 1 2.572 0.006 B 124 MET C C 13 176.355 0.1 B 124 MET CA C 13 56.279 0.1 B 124 MET CB C 13 32.900 0.1 B 124 MET CG C 13 32.900 0.1 B 124 MET N N 15 121.210 0.1 B 125 LYS H H 1 7.991 0.020 B 125 LYS HA H 1 4.352 0.020 B 125 LYS HBy H 1 1.874 0.020 B 125 LYS HBx H 1 1.786 0.020 B 125 LYS HDx H 1 1.701 0.020 B 125 LYS HDy H 1 1.701 0.020 B 125 LYS HEx H 1 3.038 0.020 B 125 LYS HEy H 1 3.038 0.020 B 125 LYS HGx H 1 1.446 0.020 B 125 LYS HGy H 1 1.446 0.020 B 125 LYS C C 13 176.355 0.1 B 125 LYS CA C 13 56.656 0.1 B 125 LYS CB C 13 33.529 0.1 B 125 LYS CD C 13 29.632 0.1 B 125 LYS CE C 13 42.579 0.1 B 125 LYS CG C 13 25.107 0.1 B 125 LYS N N 15 121.457 0.1 B 126 GLU H H 1 8.216 0.020 B 126 GLU N N 15 122.890 0.1 B 127 PRO HA H 1 4.396 0.020 B 127 PRO HBy H 1 2.262 0.020 B 127 PRO HBx H 1 1.851 0.020 B 127 PRO HDy H 1 3.831 0.020 B 127 PRO HDx H 1 3.728 0.020 B 127 PRO HGx H 1 2.041 0.020 B 127 PRO HGy H 1 2.041 0.020 B 127 PRO C C 13 176.812 0.1 B 127 PRO CA C 13 63.821 0.1 B 127 PRO CB C 13 32.272 0.1 B 127 PRO CD C 13 51.000 0.1 B 127 PRO CG C 13 27.873 0.1 B 128 ALA H H 1 8.282 0.020 B 128 ALA HA H 1 4.316 0.020 B 128 ALA HB% H 1 1.356 0.020 B 128 ALA C C 13 177.589 0.1 B 128 ALA CA C 13 53.192 0.1 B 128 ALA CB C 13 19.703 0.1 B 128 ALA N N 15 123.577 0.1 B 129 PHE H H 1 8.035 0.020 B 129 PHE HA H 1 4.637 0.020 B 129 PHE HBy H 1 3.167 0.020 B 129 PHE HBx H 1 3.093 0.020 B 129 PHE HD1 H 1 7.276 0.020 B 129 PHE HD2 H 1 7.276 0.020 B 129 PHE HE1 H 1 7.374 0.020 B 129 PHE HE2 H 1 7.374 0.020 B 129 PHE C C 13 175.624 0.1 B 129 PHE CA C 13 58.039 0.1 B 129 PHE CB C 13 40.065 0.1 B 129 PHE CD1 C 13 132.047 0.1 B 129 PHE CE1 C 13 132.047 0.1 B 129 PHE N N 15 118.994 0.1 B 130 ARG H H 1 8.066 0.020 B 130 ARG HA H 1 4.351 0.020 B 130 ARG HBy H 1 1.842 0.020 B 130 ARG HBx H 1 1.739 0.020 B 130 ARG HDx H 1 3.211 0.020 B 130 ARG HDy H 1 3.211 0.020 B 130 ARG HGx H 1 1.595 0.020 B 130 ARG HGy H 1 1.595 0.020 B 130 ARG C C 13 175.875 0.1 B 130 ARG CA C 13 56.154 0.1 B 130 ARG CB C 13 31.643 0.1 B 130 ARG CD C 13 43.961 0.1 B 130 ARG CG C 13 27.300 0.1 B 130 ARG N N 15 123.094 0.1 B 131 GLU H H 1 8.389 0.020 B 131 GLU HA H 1 4.295 0.020 B 131 GLU HBy H 1 2.103 0.020 B 131 GLU HBx H 1 2.007 0.020 B 131 GLU HGx H 1 2.322 0.020 B 131 GLU HGy H 1 2.322 0.020 B 131 GLU C C 13 176.766 0.1 B 131 GLU CA C 13 57.285 0.1 B 131 GLU CB C 13 30.512 0.1 B 131 GLU CG C 13 36.797 0.1 B 131 GLU N N 15 122.719 0.1 B 132 GLU H H 1 8.526 0.020 B 132 GLU HA H 1 4.321 0.020 B 132 GLU HBy H 1 2.098 0.020 B 132 GLU HBx H 1 2.015 0.002 B 132 GLU HGx H 1 2.309 0.002 B 132 GLU HGy H 1 2.309 0.002 B 132 GLU C C 13 176.560 0.1 B 132 GLU CA C 13 57.400 0.1 B 132 GLU CB C 13 30.512 0.1 B 132 GLU CG C 13 36.797 0.1 B 132 GLU N N 15 122.122 0.1 B 133 ASN H H 1 8.379 0.020 B 133 ASN HA H 1 4.712 0.020 B 133 ASN HBy H 1 2.865 0.020 B 133 ASN HBx H 1 2.815 0.020 B 133 ASN C C 13 175.258 0.1 B 133 ASN CA C 13 53.765 0.1 B 133 ASN CB C 13 39.562 0.1 B 133 ASN N N 15 119.552 0.1 B 134 ALA H H 1 8.175 0.020 B 134 ALA HA H 1 4.308 0.020 B 134 ALA HB% H 1 1.356 0.020 B 134 ALA C C 13 177.520 0.1 B 134 ALA CA C 13 53.192 0.1 B 134 ALA CB C 13 19.703 0.1 B 134 ALA N N 15 124.376 0.1 B 135 ASN H H 1 8.238 0.020 B 135 ASN HA H 1 4.713 0.020 B 135 ASN HBy H 1 2.795 0.020 B 135 ASN HBx H 1 2.725 0.020 B 135 ASN C C 13 175.144 0.1 B 135 ASN CA C 13 53.640 0.1 B 135 ASN CB C 13 39.311 0.1 B 135 ASN N N 15 117.103 0.1 B 136 PHE H H 1 7.997 0.020 B 136 PHE HA H 1 4.678 0.020 B 136 PHE HBy H 1 3.247 0.038 B 136 PHE HBx H 1 3.085 0.020 B 136 PHE HD1 H 1 7.290 0.020 B 136 PHE HD2 H 1 7.290 0.020 B 136 PHE HE1 H 1 7.395 0.020 B 136 PHE HE2 H 1 7.395 0.020 B 136 PHE C C 13 175.601 0.1 B 136 PHE CA C 13 58.165 0.1 B 136 PHE CB C 13 39.939 0.1 B 136 PHE CD1 C 13 132.047 0.1 B 136 PHE CE1 C 13 132.047 0.1 B 136 PHE N N 15 120.229 0.1 B 137 ASN H H 1 8.272 0.020 B 137 ASN HA H 1 4.752 0.020 B 137 ASN HBy H 1 2.865 0.020 B 137 ASN HBx H 1 2.728 0.020 B 137 ASN C C 13 174.047 0.1 B 137 ASN CA C 13 53.891 0.1 B 137 ASN CB C 13 39.688 0.1 B 137 ASN N N 15 120.594 0.1 B 138 LYS H H 1 7.720 0.020 B 138 LYS HA H 1 4.193 0.020 B 138 LYS HBy H 1 1.875 0.020 B 138 LYS HBx H 1 1.760 0.020 B 138 LYS HDx H 1 1.730 0.020 B 138 LYS HDy H 1 1.730 0.020 B 138 LYS HEx H 1 3.059 0.020 B 138 LYS HEy H 1 3.059 0.020 B 138 LYS HGx H 1 1.432 0.020 B 138 LYS HGy H 1 1.432 0.020 B 138 LYS CA C 13 58.046 0.1 B 138 LYS CB C 13 34.102 0.1 B 138 LYS CD C 13 29.896 0.1 B 138 LYS CE C 13 42.838 0.1 B 138 LYS CG C 13 25.042 0.1 B 138 LYS N N 15 126.523 0.1 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _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 5 LEU HA A 5 LEU HDx% 1.0 . 3.45 2 1 A 5 LEU HA A 5 LEU HD21 1.0 . 3.45 3 2 A 6 SER HA A 7 TYR HD% 1.0 . 4.18 4 3 A 7 TYR HD% A 6 SER HBx 1.0 . 4.22 5 3 A 7 TYR HD% A 6 SER HBy 1.0 . 4.22 6 4 A 7 TYR HD% A 7 TYR HA 1.0 . 3.50 7 5 A 8 ARG HA A 8 ARG HDx 1.0 . 4.09 8 5 A 8 ARG HA A 8 ARG HDy 1.0 . 4.09 9 6 A 8 ARG HA A 8 ARG HGx 1.0 . 3.72 10 6 A 8 ARG HA A 8 ARG HGy 1.0 . 3.72 11 7 A 8 ARG HBy A 8 ARG HDx 1.0 . 3.33 12 7 A 8 ARG HDy A 8 ARG HBy 1.0 . 3.33 13 8 A 8 ARG HBx A 8 ARG HDx 1.0 . 3.33 14 8 A 8 ARG HDy A 8 ARG HBx 1.0 . 3.33 15 9 A 9 CYS CB A 34 CYS CB 1.0 . 3.99 16 10 A 9 CYS CB A 34 CYS SG 1.0 . 3.10 17 11 A 9 CYS HA A 10 PRO HDx 1.0 . 3.73 18 11 A 9 CYS HA A 10 PRO HDy 1.0 . 3.73 19 12 A 10 PRO HDy A 9 CYS HBy 1.0 . 4.75 20 12 A 9 CYS HBy A 10 PRO HDx 1.0 . 4.75 21 13 A 10 PRO HDy A 9 CYS HBx 1.0 . 4.75 22 13 A 9 CYS HBx A 10 PRO HDx 1.0 . 4.75 23 14 A 9 CYS HBy A 10 PRO HDx 1.0 . 4.07 24 14 A 9 CYS HBx A 10 PRO HDx 1.0 . 4.07 25 14 A 10 PRO HDy A 9 CYS HBx 1.0 . 4.07 26 14 A 10 PRO HDy A 9 CYS HBy 1.0 . 4.07 27 15 A 34 CYS CB A 9 CYS SG 1.0 . 3.10 28 16 A 34 CYS SG A 9 CYS SG 1.0 . 2.10 29 17 A 10 PRO HA B 112 TYR HE% 1.0 . 3.70 30 18 A 10 PRO HBy B 112 TYR HD% 1.0 . 3.27 31 19 B 112 TYR HE% A 10 PRO HBy 1.0 . 3.12 32 20 A 10 PRO HBy A 29 LEU HDx% 1.0 . 4.49 33 21 A 10 PRO HBy A 29 LEU HDy% 1.0 . 4.49 34 22 A 10 PRO HBy A 31 THR HG2% 1.0 . 5.33 35 23 B 112 TYR HD% A 10 PRO HBx 1.0 . 3.23 36 24 B 112 TYR HE% A 10 PRO HBx 1.0 . 3.07 37 25 A 10 PRO HBx A 11 CYS H 1.0 . 4.45 38 26 A 10 PRO HBx A 29 LEU HDx% 1.0 . 4.05 39 26 A 10 PRO HBx A 29 LEU HDy% 1.0 . 4.05 40 27 B 112 TYR HE% A 10 PRO HDx 1.0 . 5.41 41 27 A 10 PRO HDy B 112 TYR HE% 1.0 . 5.41 42 28 A 11 CYS H A 10 PRO HDx 1.0 . 4.58 43 28 A 10 PRO HDy A 11 CYS H 1.0 . 4.58 44 29 A 10 PRO HDy A 29 LEU HDx% 1.0 . 4.23 45 29 A 10 PRO HDx A 29 LEU HDx% 1.0 . 4.23 46 29 A 29 LEU HDy% A 10 PRO HDx 1.0 . 4.23 47 29 A 10 PRO HDy A 29 LEU HDy% 1.0 . 4.23 48 30 A 31 THR HG2% A 10 PRO HDx 1.0 . 4.21 49 30 A 10 PRO HDy A 31 THR HG2% 1.0 . 4.21 50 31 B 112 TYR HD% A 10 PRO HGx 1.0 . 5.50 51 31 B 112 TYR HD% A 10 PRO HGy 1.0 . 5.50 52 32 B 112 TYR HE% A 10 PRO HGx 1.0 . 3.23 53 32 B 112 TYR HE% A 10 PRO HGy 1.0 . 3.23 54 33 A 10 PRO HGx A 29 LEU HDx% 1.0 . 3.94 55 33 A 29 LEU HDy% A 10 PRO HGx 1.0 . 3.94 56 33 A 29 LEU HDy% A 10 PRO HGy 1.0 . 3.94 57 33 A 10 PRO HGy A 29 LEU HDx% 1.0 . 3.94 58 34 A 31 THR HG2% A 10 PRO HGx 1.0 . 4.20 59 34 A 31 THR HG2% A 10 PRO HGy 1.0 . 4.20 60 35 A 11 CYS CB A 50 CYS CB 1.0 . 3.99 61 36 A 11 CYS CB A 50 CYS SG 1.0 . 3.10 62 37 A 50 CYS CB A 11 CYS SG 1.0 . 3.10 63 38 A 50 CYS SG A 11 CYS SG 1.0 . 2.10 64 39 A 12 ARG HA A 12 ARG HGy 1.0 . 3.97 65 40 A 12 ARG HA A 12 ARG HGx 1.0 . 3.97 66 41 A 12 ARG HA A 12 ARG HDx 1.0 . 4.43 67 41 A 12 ARG HA A 12 ARG HDy 1.0 . 4.43 68 42 A 12 ARG HBy A 12 ARG HDx 1.0 . 3.43 69 42 A 12 ARG HBx A 12 ARG HDx 1.0 . 3.43 70 42 A 12 ARG HDy A 12 ARG HBx 1.0 . 3.43 71 42 A 12 ARG HDy A 12 ARG HBy 1.0 . 3.43 72 43 A 13 PHE HD% A 12 ARG HBx 1.0 . 3.91 73 43 A 12 ARG HBy A 13 PHE HD% 1.0 . 3.91 74 44 A 13 PHE HE% A 12 ARG HBx 1.0 . 4.41 75 44 A 12 ARG HBy A 13 PHE HE% 1.0 . 4.41 76 45 A 13 PHE HE% A 12 ARG HDx 1.0 . 3.96 77 45 A 12 ARG HDy A 13 PHE HE% 1.0 . 3.96 78 46 A 13 PHE HD% A 12 ARG HGx 1.0 . 4.05 79 46 A 13 PHE HD% A 12 ARG HGy 1.0 . 4.05 80 47 A 13 PHE HD% A 13 PHE H 1.0 . 5.34 81 48 A 13 PHE HE% A 13 PHE H 1.0 . 5.50 82 49 A 13 PHE H A 14 PHE H 1.0 . 5.41 83 50 A 14 PHE H A 13 PHE HA 1.0 . 3.44 84 51 A 13 PHE HA A 14 PHE HD% 1.0 . 4.16 85 52 A 14 PHE H A 13 PHE HBy 1.0 . 4.02 86 52 A 14 PHE H A 13 PHE HBx 1.0 . 4.02 87 53 A 13 PHE HD% A 14 PHE H 1.0 . 4.25 88 54 A 14 PHE H B 119 GLY HAx 1.0 . 5.50 89 54 A 14 PHE H B 119 GLY HAy 1.0 . 5.50 90 55 A 14 PHE H A 14 PHE HBx 1.0 . 3.89 91 56 A 14 PHE H A 14 PHE HD% 1.0 . 4.22 92 57 A 14 PHE HD% A 14 PHE HA 1.0 . 3.83 93 58 A 14 PHE HBy A 15 GLU H 1.0 . 4.54 94 59 A 14 PHE HBy A 50 CYS HBy 1.0 . 5.50 95 60 A 14 PHE HBy A 52 ASP H 1.0 . 4.61 96 61 A 14 PHE HBy A 52 ASP HA 1.0 . 5.13 97 62 A 14 PHE HBx A 15 GLU H 1.0 . 4.63 98 63 A 14 PHE HBx A 52 ASP HA 1.0 . 5.31 99 64 A 14 PHE HD% A 15 GLU H 1.0 . 5.27 100 65 A 14 PHE HD% A 16 SER HBy 1.0 . 4.27 101 65 A 14 PHE HD% A 16 SER HBx 1.0 . 4.27 102 66 A 14 PHE HD% A 50 CYS HBx 1.0 . 5.50 103 67 A 14 PHE HD% A 51 ILE HA 1.0 . 4.49 104 68 A 14 PHE HD% A 52 ASP H 1.0 . 5.50 105 69 A 14 PHE HD% A 52 ASP HBx 1.0 . 4.08 106 69 A 14 PHE HD% A 52 ASP HBy 1.0 . 4.08 107 70 A 14 PHE HD% A 53 PRO HDx 1.0 . 4.57 108 70 A 14 PHE HD% A 53 PRO HDy 1.0 . 4.57 109 71 A 14 PHE HE% A 16 SER HA 1.0 . 4.42 110 72 A 15 GLU H A 15 GLU HBx 1.0 . 4.18 111 73 A 15 GLU H A 15 GLU HGy 1.0 . 4.75 112 74 A 15 GLU H A 15 GLU HGx 1.0 . 4.75 113 75 A 15 GLU H A 18 VAL HGx% 1.0 . 4.61 114 75 A 15 GLU H A 18 VAL HGy% 1.0 . 4.61 115 76 A 15 GLU H A 51 ILE HA 1.0 . 4.41 116 77 A 15 GLU H A 51 ILE HD1% 1.0 . 5.07 117 78 A 15 GLU H A 52 ASP H 1.0 . 5.03 118 79 A 15 GLU HBx A 18 VAL HGx% 1.0 . 3.99 119 79 A 15 GLU HBx A 18 VAL HGy% 1.0 . 3.99 120 80 A 15 GLU HBy A 18 VAL HGx% 1.0 . 3.29 121 80 A 18 VAL HGy% A 15 GLU HBy 1.0 . 3.29 122 81 A 15 GLU HBy A 51 ILE HG2% 1.0 . 4.83 123 82 A 15 GLU HGy A 18 VAL HGx% 1.0 . 3.71 124 82 A 15 GLU HGy A 18 VAL HGy% 1.0 . 3.71 125 83 A 15 GLU HGx A 18 VAL HGx% 1.0 . 3.71 126 83 A 15 GLU HGx A 18 VAL HGy% 1.0 . 3.71 127 84 A 52 ASP H A 16 SER HA 1.0 . 5.21 128 85 A 52 ASP HBy A 16 SER HA 1.0 . 5.50 129 86 A 16 SER HA A 52 ASP HBx 1.0 . 5.50 130 87 A 16 SER HA A 52 ASP HBx 1.0 . 4.84 131 87 A 52 ASP HBy A 16 SER HA 1.0 . 4.84 132 88 A 16 SER HA A 55 LEU HDx% 1.0 . 4.73 133 89 A 16 SER HA A 55 LEU HDy% 1.0 . 4.53 134 90 A 17 HIS HD2 A 16 SER HBy 1.0 . 4.05 135 90 A 16 SER HBx A 17 HIS HD2 1.0 . 4.05 136 91 A 52 ASP H A 16 SER HBy 1.0 . 5.27 137 91 A 52 ASP H A 16 SER HBx 1.0 . 5.27 138 92 A 16 SER HBx A 52 ASP HBx 1.0 . 4.72 139 92 A 16 SER HBy A 52 ASP HBx 1.0 . 4.72 140 92 A 52 ASP HBy A 16 SER HBy 1.0 . 4.72 141 92 A 16 SER HBx A 52 ASP HBy 1.0 . 4.72 142 93 A 55 LEU HDy% A 16 SER HBy 1.0 . 4.14 143 93 A 16 SER HBx A 55 LEU HDy% 1.0 . 4.14 144 94 A 17 HIS HD2 A 17 HIS HA 1.0 . 4.20 145 95 A 55 LEU HDy% A 17 HIS HD2 1.0 . 4.46 146 96 A 17 HIS HD2 A 17 HIS HBx 1.0 . 3.37 147 96 A 17 HIS HD2 A 17 HIS HBy 1.0 . 3.37 148 97 A 18 VAL H A 17 HIS HBx 1.0 . 4.74 149 97 A 17 HIS HBy A 18 VAL H 1.0 . 4.74 150 98 A 18 VAL H B 121 TYR HBy 1.0 . 5.50 151 99 A 18 VAL H A 18 VAL HB 1.0 . 3.69 152 100 A 18 VAL H A 18 VAL HGx% 1.0 . 3.61 153 100 A 18 VAL HGy% A 18 VAL H 1.0 . 3.61 154 101 A 18 VAL HA A 18 VAL HGx% 1.0 . 3.41 155 101 A 18 VAL HGy% A 18 VAL HA 1.0 . 3.41 156 102 A 18 VAL HA A 19 ALA HB% 1.0 . 5.11 157 103 B 121 TYR HBy A 18 VAL HB 1.0 . 5.50 158 104 A 18 VAL HB B 121 TYR HD% 1.0 . 5.50 159 105 A 51 ILE HG2% A 18 VAL HB 1.0 . 3.63 160 106 A 55 LEU HDx% A 18 VAL HB 1.0 . 4.39 161 107 A 18 VAL HB A 57 TRP HZ2 1.0 . 4.91 162 108 B 121 TYR HBy A 18 VAL HGx% 1.0 . 5.50 163 108 A 18 VAL HGy% B 121 TYR HBy 1.0 . 5.50 164 109 B 121 TYR HD% A 18 VAL HGx% 1.0 . 3.10 165 109 A 18 VAL HGy% B 121 TYR HD% 1.0 . 3.10 166 110 B 121 TYR HE% A 18 VAL HGx% 1.0 . 3.52 167 110 A 18 VAL HGy% B 121 TYR HE% 1.0 . 3.52 168 111 A 19 ALA H A 18 VAL HGx% 1.0 . 4.18 169 111 A 18 VAL HGy% A 19 ALA H 1.0 . 4.18 170 112 A 22 ASN HBy A 18 VAL HGx% 1.0 . 4.75 171 112 A 18 VAL HGy% A 22 ASN HBy 1.0 . 4.75 172 113 A 22 ASN HBx A 18 VAL HGx% 1.0 . 4.16 173 113 A 18 VAL HGy% A 22 ASN HBx 1.0 . 4.16 174 114 A 18 VAL HGy% A 22 ASN HD2x 1.0 . 4.71 175 114 A 18 VAL HGx% A 22 ASN HD2x 1.0 . 4.71 176 114 A 22 ASN HD2y A 18 VAL HGx% 1.0 . 4.71 177 114 A 18 VAL HGy% A 22 ASN HD2y 1.0 . 4.71 178 115 A 23 VAL H A 18 VAL HGx% 1.0 . 5.50 179 115 A 18 VAL HGy% A 23 VAL H 1.0 . 5.50 180 116 A 52 ASP H A 18 VAL HGx% 1.0 . 5.18 181 116 A 52 ASP H A 18 VAL HGy% 1.0 . 5.18 182 117 A 57 TRP HE1 A 18 VAL HGx% 1.0 . 4.88 183 117 A 18 VAL HGy% A 57 TRP HE1 1.0 . 4.88 184 118 A 57 TRP HH2 A 18 VAL HGx% 1.0 . 3.79 185 118 A 18 VAL HGy% A 57 TRP HH2 1.0 . 3.79 186 119 A 57 TRP HZ2 A 18 VAL HGx% 1.0 . 3.15 187 119 A 18 VAL HGy% A 57 TRP HZ2 1.0 . 3.15 188 120 A 19 ALA HB% A 19 ALA H 1.0 . 3.89 189 121 A 19 ALA H A 22 ASN HBy 1.0 . 5.05 190 122 A 19 ALA H A 22 ASN HBx 1.0 . 5.48 191 123 A 19 ALA H A 22 ASN HD2x 1.0 . 5.06 192 123 A 19 ALA H A 22 ASN HD2y 1.0 . 5.06 193 124 A 19 ALA H A 23 VAL HGx% 1.0 . 5.44 194 124 A 19 ALA H A 23 VAL HGy% 1.0 . 5.44 195 125 A 19 ALA H A 49 VAL HGy% 1.0 . 5.07 196 126 A 57 TRP HE1 A 19 ALA HA 1.0 . 4.84 197 127 A 19 ALA HB% A 20 ARG H 1.0 . 4.26 198 128 A 19 ALA HB% A 21 ALA H 1.0 . 4.31 199 129 A 19 ALA HB% A 22 ASN HBy 1.0 . 4.40 200 130 A 19 ALA HB% A 22 ASN HBx 1.0 . 4.24 201 131 A 19 ALA HB% A 23 VAL HGx% 1.0 . 4.61 202 131 A 19 ALA HB% A 23 VAL HGy% 1.0 . 4.61 203 132 A 20 ARG HA A 20 ARG HDx 1.0 . 5.04 204 132 A 20 ARG HA A 20 ARG HDy 1.0 . 5.04 205 133 A 23 VAL H A 20 ARG HA 1.0 . 5.02 206 134 A 20 ARG HA A 23 VAL HGx% 1.0 . 5.35 207 135 A 23 VAL HGy% A 20 ARG HA 1.0 . 5.35 208 136 A 20 ARG HA A 23 VAL HGx% 1.0 . 4.55 209 136 A 23 VAL HGy% A 20 ARG HA 1.0 . 4.55 210 137 A 57 TRP HH2 A 20 ARG HA 1.0 . 4.64 211 138 A 57 TRP HZ2 A 20 ARG HA 1.0 . 4.33 212 139 A 21 ALA H A 20 ARG HBy 1.0 . 5.50 213 140 A 21 ALA H A 20 ARG HBx 1.0 . 5.50 214 141 A 57 TRP HH2 A 20 ARG HBy 1.0 . 4.30 215 141 A 57 TRP HH2 A 20 ARG HBx 1.0 . 4.30 216 142 A 23 VAL H A 20 ARG HDx 1.0 . 5.50 217 142 A 23 VAL H A 20 ARG HDy 1.0 . 5.50 218 143 A 57 TRP HBy A 20 ARG HDx 1.0 . 5.13 219 143 A 20 ARG HDy A 57 TRP HBy 1.0 . 5.13 220 144 A 57 TRP HBx A 20 ARG HDx 1.0 . 5.14 221 144 A 20 ARG HDy A 57 TRP HBx 1.0 . 5.14 222 145 A 61 TYR HE% A 20 ARG HDx 1.0 . 5.50 223 145 A 20 ARG HDy A 61 TYR HE% 1.0 . 5.50 224 146 A 57 TRP HE3 A 20 ARG HGy 1.0 . 5.34 225 146 A 20 ARG HGx A 57 TRP HE3 1.0 . 5.34 226 147 A 61 TYR HE% A 20 ARG HGy 1.0 . 5.34 227 147 A 61 TYR HE% A 20 ARG HGx 1.0 . 5.34 228 148 A 21 ALA H A 21 ALA HB% 1.0 . 3.47 229 149 A 21 ALA H A 22 ASN H 1.0 . 4.30 230 150 A 23 VAL H A 21 ALA HA 1.0 . 4.95 231 151 A 21 ALA HB% A 22 ASN H 1.0 . 3.77 232 152 A 21 ALA HB% A 22 ASN HA 1.0 . 5.12 233 153 A 23 VAL H A 21 ALA HB% 1.0 . 5.44 234 154 A 22 ASN HBy A 22 ASN H 1.0 . 3.96 235 155 A 22 ASN HBx A 22 ASN H 1.0 . 3.85 236 156 A 23 VAL H A 22 ASN H 1.0 . 3.65 237 157 A 22 ASN HA A 43 LYS HDy 1.0 . 4.06 238 158 A 22 ASN HA A 43 LYS HGy 1.0 . 5.08 239 159 A 22 ASN HA A 43 LYS HGx 1.0 . 5.17 240 160 A 22 ASN HA A 43 LYS HBx 1.0 . 4.55 241 160 A 22 ASN HA A 43 LYS HBy 1.0 . 4.55 242 161 A 22 ASN HBy A 23 VAL H 1.0 . 5.06 243 162 A 22 ASN HBy A 23 VAL HGx% 1.0 . 5.32 244 162 A 22 ASN HBy A 23 VAL HGy% 1.0 . 5.32 245 163 A 22 ASN HBy A 42 LEU HDx% 1.0 . 4.65 246 163 A 22 ASN HBy A 42 LEU HDy% 1.0 . 4.65 247 164 A 22 ASN HBy A 43 LYS HDy 1.0 . 5.33 248 165 A 22 ASN HBx A 23 VAL H 1.0 . 4.94 249 166 A 22 ASN HBx A 42 LEU HDx% 1.0 . 4.73 250 166 A 22 ASN HBx A 42 LEU HDy% 1.0 . 4.73 251 167 A 42 LEU HBx A 22 ASN HD2x 1.0 . 5.17 252 167 A 22 ASN HD2y A 42 LEU HBx 1.0 . 5.17 253 168 A 22 ASN HD2y A 42 LEU HDx% 1.0 . 4.85 254 168 A 22 ASN HD2x A 42 LEU HDx% 1.0 . 4.85 255 168 A 42 LEU HDy% A 22 ASN HD2x 1.0 . 4.85 256 168 A 22 ASN HD2y A 42 LEU HDy% 1.0 . 4.85 257 169 A 23 VAL HA A 23 VAL HGx% 1.0 . 3.85 258 170 A 23 VAL HGy% A 23 VAL HA 1.0 . 3.85 259 171 D 307 TYR HBy A 23 VAL HGx% 1.0 . 2.98 260 172 D 307 TYR HD% A 23 VAL HGx% 1.0 . 2.88 261 173 D 307 TYR HE% A 23 VAL HGx% 1.0 . 3.17 262 174 A 23 VAL HGy% D 307 TYR HBy 1.0 . 2.98 263 175 A 23 VAL HGy% D 307 TYR HD% 1.0 . 2.88 264 176 A 23 VAL HGy% D 307 TYR HE% 1.0 . 3.17 265 177 D 307 TYR HBx A 23 VAL HGx% 1.0 . 3.41 266 177 A 23 VAL HGy% D 307 TYR HBx 1.0 . 3.41 267 178 D 307 TYR HE% A 23 VAL HGx% 1.0 . 2.70 268 178 A 23 VAL HGy% D 307 TYR HE% 1.0 . 2.70 269 179 A 40 ALA HA A 23 VAL HGx% 1.0 . 5.13 270 179 A 23 VAL HGy% A 40 ALA HA 1.0 . 5.13 271 180 A 41 ARG H A 23 VAL HGx% 1.0 . 4.35 272 180 A 23 VAL HGy% A 41 ARG H 1.0 . 4.35 273 181 A 42 LEU H A 23 VAL HGx% 1.0 . 4.83 274 181 A 23 VAL HGy% A 42 LEU H 1.0 . 4.83 275 182 A 57 TRP HH2 A 23 VAL HGx% 1.0 . 3.41 276 182 A 57 TRP HH2 A 23 VAL HGy% 1.0 . 3.41 277 183 A 24 LYS H A 24 LYS HGy 1.0 . 4.81 278 184 A 24 LYS H A 24 LYS HGx 1.0 . 4.81 279 185 A 24 LYS H A 24 LYS HDx 1.0 . 4.52 280 185 A 24 LYS H A 24 LYS HDy 1.0 . 4.52 281 186 A 24 LYS H A 24 LYS HGy 1.0 . 3.96 282 186 A 24 LYS H A 24 LYS HGx 1.0 . 3.96 283 187 A 24 LYS H A 25 HIS H 1.0 . 3.93 284 188 A 41 ARG H A 24 LYS H 1.0 . 5.42 285 189 A 24 LYS H A 41 ARG O 1.0 . 2.00 286 190 A 24 LYS H A 43 LYS HDx 1.0 . 5.50 287 191 A 43 LYS HGx A 24 LYS H 1.0 . 5.50 288 192 A 24 LYS HA A 24 LYS HDx 1.0 . 4.62 289 192 A 24 LYS HDy A 24 LYS HA 1.0 . 4.62 290 193 A 24 LYS HA A 24 LYS HGy 1.0 . 3.71 291 193 A 24 LYS HGx A 24 LYS HA 1.0 . 3.71 292 194 A 43 LYS HDx A 24 LYS HA 1.0 . 4.87 293 195 A 43 LYS HDy A 24 LYS HA 1.0 . 5.20 294 196 A 43 LYS HGy A 24 LYS HA 1.0 . 4.96 295 197 A 43 LYS HGx A 24 LYS HA 1.0 . 5.02 296 198 A 24 LYS HEy A 24 LYS HBy 1.0 . 3.52 297 198 A 24 LYS HBy A 24 LYS HEx 1.0 . 3.52 298 199 A 25 HIS H A 24 LYS HBy 1.0 . 4.15 299 200 A 24 LYS HEy A 24 LYS HBx 1.0 . 3.52 300 200 A 24 LYS HBx A 24 LYS HEx 1.0 . 3.52 301 201 A 25 HIS H A 24 LYS HBx 1.0 . 4.15 302 202 A 24 LYS HEx A 24 LYS HGy 1.0 . 4.14 303 202 A 24 LYS HEy A 24 LYS HGy 1.0 . 4.14 304 203 A 24 LYS HGx A 24 LYS HEy 1.0 . 4.14 305 203 A 24 LYS HGx A 24 LYS HEx 1.0 . 4.14 306 204 A 41 ARG O A 24 LYS N 1.0 . 3.00 307 205 A 24 LYS HBy A 24 LYS HDx 1.0 . 2.35 308 205 A 24 LYS HBx A 24 LYS HDx 1.0 . 2.35 309 205 A 24 LYS HDy A 24 LYS HBx 1.0 . 2.35 310 205 A 24 LYS HDy A 24 LYS HBy 1.0 . 2.35 311 206 A 24 LYS HBx A 24 LYS HEx 1.0 . 2.79 312 206 A 24 LYS HBy A 24 LYS HEx 1.0 . 2.79 313 206 A 24 LYS HEy A 24 LYS HBx 1.0 . 2.79 314 206 A 24 LYS HEy A 24 LYS HBy 1.0 . 2.79 315 207 A 25 HIS HD2 A 24 LYS HBx 1.0 . 4.29 316 207 A 24 LYS HBy A 25 HIS HD2 1.0 . 4.29 317 208 A 25 HIS HE1 A 24 LYS HBx 1.0 . 3.86 318 208 A 24 LYS HBy A 25 HIS HE1 1.0 . 3.86 319 209 A 41 ARG H A 24 LYS HBx 1.0 . 4.94 320 209 A 41 ARG H A 24 LYS HBy 1.0 . 4.94 321 210 A 43 LYS HA A 24 LYS HBx 1.0 . 5.34 322 210 A 24 LYS HBy A 43 LYS HA 1.0 . 5.34 323 211 A 41 ARG H A 24 LYS HEx 1.0 . 5.50 324 211 A 41 ARG H A 24 LYS HEy 1.0 . 5.50 325 212 A 43 LYS H A 24 LYS HEx 1.0 . 5.42 326 212 A 24 LYS HEy A 43 LYS H 1.0 . 5.42 327 213 A 43 LYS HA A 24 LYS HEx 1.0 . 4.67 328 213 A 24 LYS HEy A 43 LYS HA 1.0 . 4.67 329 214 A 24 LYS HEx A 24 LYS HGy 1.0 . 3.63 330 214 A 24 LYS HEy A 24 LYS HGy 1.0 . 3.63 331 214 A 24 LYS HGx A 24 LYS HEx 1.0 . 3.63 332 214 A 24 LYS HGx A 24 LYS HEy 1.0 . 3.63 333 215 A 25 HIS H A 24 LYS HGy 1.0 . 4.04 334 215 A 24 LYS HGx A 25 HIS H 1.0 . 4.04 335 216 A 43 LYS H A 24 LYS HGy 1.0 . 4.14 336 216 A 24 LYS HGx A 43 LYS H 1.0 . 4.14 337 217 A 43 LYS HA A 24 LYS HGy 1.0 . 3.56 338 217 A 24 LYS HGx A 43 LYS HA 1.0 . 3.56 339 218 A 40 ALA HA A 25 HIS H 1.0 . 5.06 340 219 A 25 HIS H A 40 ALA HB% 1.0 . 5.32 341 220 A 41 ARG H A 25 HIS H 1.0 . 4.50 342 221 A 25 HIS H A 41 ARG HBx 1.0 . 5.50 343 221 A 25 HIS H A 41 ARG HBy 1.0 . 5.50 344 222 A 25 HIS HA C 229 LEU HA 1.0 . 4.40 345 223 A 25 HIS HA C 229 LEU HD11 1.0 . 5.44 346 223 A 25 HIS HA C 229 LEU HD21 1.0 . 5.44 347 224 A 25 HIS HBy C 229 LEU HD11 1.0 . 4.32 348 224 C 229 LEU HD21 A 25 HIS HBy 1.0 . 4.32 349 225 A 25 HIS HBy A 26 LEU H 1.0 . 4.88 350 226 A 25 HIS HBx C 229 LEU HD11 1.0 . 3.94 351 226 C 229 LEU HD21 A 25 HIS HBx 1.0 . 3.94 352 227 A 26 LEU H A 25 HIS HBx 1.0 . 4.42 353 228 A 25 HIS HD2 C 227 LYS HDx 1.0 . 5.50 354 229 A 25 HIS HD2 C 227 LYS HDy 1.0 . 5.50 355 230 A 25 HIS HD2 C 227 LYS HGx 1.0 . 3.89 356 231 A 25 HIS HD2 C 227 LYS HGy 1.0 . 4.92 357 232 A 25 HIS HD2 C 227 LYS HBx 1.0 . 5.20 358 232 A 25 HIS HD2 C 227 LYS HBy 1.0 . 5.20 359 233 A 25 HIS HD2 C 227 LYS HEy 1.0 . 5.34 360 233 A 25 HIS HD2 C 227 LYS HEx 1.0 . 5.34 361 234 A 25 HIS HD2 C 229 LEU HD11 1.0 . 4.12 362 234 A 25 HIS HD2 C 229 LEU HD21 1.0 . 4.12 363 235 A 25 HIS HE1 C 227 LYS HDx 1.0 . 4.26 364 236 A 25 HIS HE1 C 227 LYS HEy 1.0 . 4.40 365 236 A 25 HIS HE1 C 227 LYS HEx 1.0 . 4.40 366 237 A 25 HIS HE1 A 41 ARG HBx 1.0 . 3.72 367 237 A 25 HIS HE1 A 41 ARG HBy 1.0 . 3.72 368 238 A 25 HIS HE1 A 41 ARG HDx 1.0 . 3.94 369 238 A 25 HIS HE1 A 41 ARG HDy 1.0 . 3.94 370 239 A 25 HIS HE1 A 41 ARG HGx 1.0 . 4.03 371 239 A 25 HIS HE1 A 41 ARG HGy 1.0 . 4.03 372 240 A 26 LEU H C 228 ILE H 1.0 . 5.13 373 241 A 26 LEU H C 228 ILE HB 1.0 . 5.34 374 242 A 26 LEU H C 228 ILE O 1.0 . 2.00 375 243 A 26 LEU H A 26 LEU HG 1.0 . 4.68 376 244 A 26 LEU H A 26 LEU HDx% 1.0 . 5.27 377 245 A 26 LEU H A 26 LEU HDy% 1.0 . 5.27 378 246 A 26 LEU H A 26 LEU HDx% 1.0 . 4.49 379 246 A 26 LEU H A 26 LEU HDy% 1.0 . 4.49 380 247 A 26 LEU HA A 26 LEU HDx% 1.0 . 4.82 381 248 A 26 LEU HDy% A 26 LEU HA 1.0 . 4.82 382 249 A 26 LEU HA A 26 LEU HDx% 1.0 . 3.36 383 249 A 26 LEU HDy% A 26 LEU HA 1.0 . 3.36 384 250 A 41 ARG H A 26 LEU HA 1.0 . 5.50 385 251 C 228 ILE H A 26 LEU HBy 1.0 . 5.15 386 252 C 228 ILE HB A 26 LEU HBy 1.0 . 5.00 387 253 A 26 LEU HBy A 26 LEU HDx% 1.0 . 4.09 388 254 A 26 LEU HDy% A 26 LEU HBy 1.0 . 4.09 389 255 A 61 TYR HE% A 26 LEU HBy 1.0 . 4.10 390 256 C 228 ILE H A 26 LEU HBx 1.0 . 4.86 391 257 C 228 ILE HB A 26 LEU HBx 1.0 . 4.97 392 258 A 26 LEU HBx A 27 LYS H 1.0 . 5.45 393 259 A 26 LEU HBx A 39 VAL H 1.0 . 5.37 394 260 C 228 ILE O A 26 LEU N 1.0 . 3.00 395 261 C 228 ILE H A 26 LEU O 1.0 . 2.00 396 262 A 26 LEU O C 228 ILE N 1.0 . 3.00 397 263 C 228 ILE H A 26 LEU HDx% 1.0 . 5.40 398 264 A 57 TRP HH2 A 26 LEU HDx% 1.0 . 4.35 399 265 A 57 TRP HZ3 A 26 LEU HDx% 1.0 . 4.51 400 266 C 228 ILE H A 26 LEU HDy% 1.0 . 5.40 401 267 A 57 TRP HH2 A 26 LEU HDy% 1.0 . 4.35 402 268 A 26 LEU HDy% A 57 TRP HZ3 1.0 . 4.51 403 269 C 228 ILE HB A 26 LEU HDx% 1.0 . 4.42 404 269 C 228 ILE HB A 26 LEU HDy% 1.0 . 4.42 405 270 C 228 ILE HD11 A 26 LEU HDx% 1.0 . 3.24 406 270 A 26 LEU HDy% C 228 ILE HD11 1.0 . 3.24 407 271 A 26 LEU HDx% C 228 ILE HG1x 1.0 . 4.82 408 271 A 26 LEU HDy% C 228 ILE HG1x 1.0 . 4.82 409 271 C 228 ILE HG1y A 26 LEU HDx% 1.0 . 4.82 410 271 A 26 LEU HDy% C 228 ILE HG1y 1.0 . 4.82 411 272 C 228 ILE HG21 A 26 LEU HDx% 1.0 . 4.03 412 272 A 26 LEU HDy% C 228 ILE HG21 1.0 . 4.03 413 273 A 27 LYS H A 26 LEU HDx% 1.0 . 4.24 414 273 A 26 LEU HDy% A 27 LYS H 1.0 . 4.24 415 274 A 40 ALA HA A 26 LEU HDx% 1.0 . 3.99 416 274 A 40 ALA HA A 26 LEU HDy% 1.0 . 3.99 417 275 A 40 ALA HB% A 26 LEU HDx% 1.0 . 2.89 418 275 A 40 ALA HB% A 26 LEU HDy% 1.0 . 2.89 419 276 A 57 TRP HH2 A 26 LEU HDx% 1.0 . 3.76 420 276 A 57 TRP HH2 A 26 LEU HDy% 1.0 . 3.76 421 277 A 57 TRP HZ2 A 26 LEU HDx% 1.0 . 5.04 422 277 A 57 TRP HZ2 A 26 LEU HDy% 1.0 . 5.04 423 278 A 57 TRP HZ3 A 26 LEU HDx% 1.0 . 3.92 424 278 A 26 LEU HDy% A 57 TRP HZ3 1.0 . 3.92 425 279 A 26 LEU HDy% A 58 ILE HG1y 1.0 . 3.36 426 279 A 26 LEU HDx% A 58 ILE HG1y 1.0 . 3.36 427 279 A 58 ILE HG1x A 26 LEU HDx% 1.0 . 3.36 428 279 A 26 LEU HDy% A 58 ILE HG1x 1.0 . 3.36 429 280 A 61 TYR HBx A 26 LEU HDx% 1.0 . 4.55 430 280 A 26 LEU HDy% A 61 TYR HBx 1.0 . 4.55 431 281 A 61 TYR HBy A 26 LEU HDx% 1.0 . 5.13 432 281 A 26 LEU HDy% A 61 TYR HBy 1.0 . 5.13 433 282 A 61 TYR HD% A 26 LEU HDx% 1.0 . 3.49 434 282 A 26 LEU HDy% A 61 TYR HD% 1.0 . 3.49 435 283 A 61 TYR HE% A 26 LEU HDx% 1.0 . 3.82 436 283 A 61 TYR HE% A 26 LEU HDy% 1.0 . 3.82 437 284 A 62 LEU H A 26 LEU HDx% 1.0 . 5.07 438 284 A 26 LEU HDy% A 62 LEU H 1.0 . 5.07 439 285 A 27 LYS H A 27 LYS HGx 1.0 . 5.25 440 286 A 27 LYS H A 27 LYS HGy 1.0 . 4.91 441 287 A 27 LYS H A 28 ILE H 1.0 . 5.48 442 288 A 27 LYS H A 38 ILE HD1% 1.0 . 5.50 443 289 A 27 LYS H A 38 ILE HG2% 1.0 . 4.56 444 290 A 27 LYS H A 39 VAL H 1.0 . 4.58 445 291 A 27 LYS H A 39 VAL O 1.0 . 2.00 446 292 A 27 LYS H A 39 VAL HGx% 1.0 . 5.28 447 293 A 27 LYS H A 39 VAL HGy% 1.0 . 5.28 448 294 A 27 LYS H A 39 VAL HGx% 1.0 . 4.62 449 294 A 27 LYS H A 39 VAL HGy% 1.0 . 4.62 450 295 A 40 ALA HA A 27 LYS H 1.0 . 4.48 451 296 A 27 LYS HA A 27 LYS HDy 1.0 . 4.88 452 297 A 27 LYS HA A 27 LYS HDx 1.0 . 4.66 453 298 A 27 LYS HA A 27 LYS HEy 1.0 . 5.50 454 299 A 27 LYS HA A 27 LYS HEx 1.0 . 5.50 455 300 A 27 LYS HDy C 225 HIS HD2 1.0 . 5.50 456 301 A 27 LYS HDy C 225 HIS HE1 1.0 . 4.26 457 302 A 27 LYS HDx C 225 HIS HD2 1.0 . 5.50 458 303 B 112 TYR HE% A 27 LYS HGx 1.0 . 4.96 459 304 A 27 LYS HGx C 225 HIS HD2 1.0 . 3.89 460 305 A 27 LYS HGx A 27 LYS HDy 1.0 . 2.58 461 306 A 27 LYS HGx A 27 LYS HEy 1.0 . 4.18 462 307 A 27 LYS HGx A 27 LYS HEx 1.0 . 4.18 463 308 A 27 LYS HGx A 27 LYS HEx 1.0 . 3.67 464 308 A 27 LYS HGx A 27 LYS HEy 1.0 . 3.67 465 309 B 112 TYR HE% A 27 LYS HGy 1.0 . 5.50 466 310 A 27 LYS HGy C 225 HIS HD2 1.0 . 4.92 467 311 A 39 VAL O A 27 LYS N 1.0 . 3.00 468 312 A 39 VAL H A 27 LYS O 1.0 . 2.00 469 313 A 27 LYS O A 39 VAL N 1.0 . 3.00 470 314 C 225 HIS HD2 A 27 LYS HBx 1.0 . 5.20 471 314 C 225 HIS HD2 A 27 LYS HBy 1.0 . 5.20 472 315 A 27 LYS HDy A 27 LYS HBx 1.0 . 4.03 473 315 A 27 LYS HDy A 27 LYS HBy 1.0 . 4.03 474 316 A 27 LYS HDx A 27 LYS HBx 1.0 . 3.99 475 316 A 27 LYS HDx A 27 LYS HBy 1.0 . 3.99 476 317 A 27 LYS HEy A 27 LYS HBy 1.0 . 4.47 477 317 A 27 LYS HEy A 27 LYS HBx 1.0 . 4.47 478 318 A 27 LYS HBy A 27 LYS HEx 1.0 . 4.47 479 318 A 27 LYS HBx A 27 LYS HEx 1.0 . 4.47 480 319 A 28 ILE H A 27 LYS HBx 1.0 . 4.49 481 319 A 28 ILE H A 27 LYS HBy 1.0 . 4.49 482 320 A 39 VAL H A 27 LYS HBx 1.0 . 4.86 483 320 A 39 VAL H A 27 LYS HBy 1.0 . 4.86 484 321 C 225 HIS HD2 A 27 LYS HEx 1.0 . 5.34 485 321 C 225 HIS HD2 A 27 LYS HEy 1.0 . 5.34 486 322 C 225 HIS HE1 A 27 LYS HEx 1.0 . 4.40 487 322 C 225 HIS HE1 A 27 LYS HEy 1.0 . 4.40 488 323 A 27 LYS HEy A 29 LEU HDx% 1.0 . 3.99 489 323 A 27 LYS HEx A 29 LEU HDx% 1.0 . 3.99 490 323 A 29 LEU HDy% A 27 LYS HEx 1.0 . 3.99 491 323 A 29 LEU HDy% A 27 LYS HEy 1.0 . 3.99 492 324 A 28 ILE H C 226 LEU H 1.0 . 5.13 493 325 A 28 ILE H C 226 LEU HBx 1.0 . 5.15 494 326 A 28 ILE H C 226 LEU HBy 1.0 . 4.86 495 327 A 28 ILE H C 226 LEU O 1.0 . 2.00 496 328 A 28 ILE H C 226 LEU HD11 1.0 . 5.40 497 329 A 28 ILE H C 226 LEU HD21 1.0 . 5.40 498 330 A 28 ILE H A 28 ILE HD1% 1.0 . 4.10 499 331 A 28 ILE H A 28 ILE HG1x 1.0 . 4.38 500 331 A 28 ILE H A 28 ILE HG1y 1.0 . 4.38 501 332 A 28 ILE H A 28 ILE HG2% 1.0 . 4.36 502 333 A 28 ILE HD1% A 28 ILE HA 1.0 . 4.25 503 334 A 28 ILE HA A 28 ILE HG1x 1.0 . 3.98 504 334 A 28 ILE HG1y A 28 ILE HA 1.0 . 3.98 505 335 A 28 ILE HG2% A 28 ILE HA 1.0 . 3.78 506 336 A 38 ILE HD1% A 28 ILE HA 1.0 . 4.93 507 337 A 38 ILE HG2% A 28 ILE HA 1.0 . 4.48 508 338 C 226 LEU H A 28 ILE HB 1.0 . 5.34 509 339 C 226 LEU HBx A 28 ILE HB 1.0 . 5.00 510 340 C 226 LEU HBy A 28 ILE HB 1.0 . 4.97 511 341 A 28 ILE HB C 226 LEU HD11 1.0 . 4.42 512 341 A 28 ILE HB C 226 LEU HD21 1.0 . 4.42 513 342 A 28 ILE HB C 261 TYR HE% 1.0 . 3.58 514 343 A 28 ILE HD1% A 28 ILE HB 1.0 . 3.49 515 344 A 28 ILE HB A 29 LEU H 1.0 . 4.31 516 345 C 226 LEU O A 28 ILE N 1.0 . 3.00 517 346 C 226 LEU H A 28 ILE O 1.0 . 2.00 518 347 A 28 ILE O C 226 LEU N 1.0 . 3.00 519 348 A 28 ILE HD1% C 226 LEU HD11 1.0 . 3.24 520 348 A 28 ILE HD1% C 226 LEU HD21 1.0 . 3.24 521 349 A 28 ILE HD1% C 261 TYR HE% 1.0 . 4.83 522 350 A 28 ILE HD1% C 262 LEU HA 1.0 . 4.55 523 351 A 28 ILE HD1% A 29 LEU H 1.0 . 5.25 524 352 A 28 ILE HG1y C 226 LEU HD11 1.0 . 4.82 525 352 A 28 ILE HG1x C 226 LEU HD11 1.0 . 4.82 526 352 C 226 LEU HD21 A 28 ILE HG1x 1.0 . 4.82 527 352 A 28 ILE HG1y C 226 LEU HD21 1.0 . 4.82 528 353 C 261 TYR HD% A 28 ILE HG1x 1.0 . 5.50 529 353 A 28 ILE HG1y C 261 TYR HD% 1.0 . 5.50 530 354 C 261 TYR HE% A 28 ILE HG1x 1.0 . 4.12 531 354 A 28 ILE HG1y C 261 TYR HE% 1.0 . 4.12 532 355 A 29 LEU H A 28 ILE HG1x 1.0 . 5.09 533 355 A 28 ILE HG1y A 29 LEU H 1.0 . 5.09 534 356 A 28 ILE HG2% C 226 LEU HD11 1.0 . 4.03 535 356 A 28 ILE HG2% C 226 LEU HD21 1.0 . 4.03 536 357 A 28 ILE HG2% C 261 TYR HD% 1.0 . 3.56 537 358 A 28 ILE HG2% C 261 TYR HE% 1.0 . 3.32 538 359 A 28 ILE HD1% A 28 ILE HG2% 1.0 . 2.90 539 360 A 28 ILE HG2% A 28 ILE HG1x 1.0 . 3.64 540 360 A 28 ILE HG1y A 28 ILE HG2% 1.0 . 3.64 541 361 A 28 ILE HG2% A 29 LEU H 1.0 . 4.30 542 362 A 28 ILE HG2% A 36 CYS HA 1.0 . 5.12 543 363 A 38 ILE HD1% A 28 ILE HG2% 1.0 . 3.13 544 364 A 28 ILE HG2% A 38 ILE HG1x 1.0 . 3.50 545 364 A 28 ILE HG2% A 38 ILE HG1y 1.0 . 3.50 546 365 A 29 LEU H A 29 LEU HDx% 1.0 . 4.80 547 366 A 29 LEU HDy% A 29 LEU H 1.0 . 4.80 548 367 A 29 LEU H A 29 LEU HDx% 1.0 . 4.06 549 367 A 29 LEU HDy% A 29 LEU H 1.0 . 4.06 550 368 A 29 LEU H A 37 GLN H 1.0 . 4.41 551 369 A 29 LEU H A 37 GLN HBx 1.0 . 5.50 552 369 A 29 LEU H A 37 GLN HBy 1.0 . 5.50 553 370 A 29 LEU H A 37 GLN HGx 1.0 . 5.50 554 370 A 29 LEU H A 37 GLN HGy 1.0 . 5.50 555 371 A 29 LEU HA C 225 HIS HA 1.0 . 4.40 556 372 A 29 LEU HA A 37 GLN HBx 1.0 . 5.50 557 372 A 37 GLN HBy A 29 LEU HA 1.0 . 5.50 558 373 B 112 TYR HD% A 29 LEU HBy 1.0 . 3.81 559 373 B 112 TYR HD% A 29 LEU HBx 1.0 . 3.81 560 374 B 112 TYR HE% A 29 LEU HBy 1.0 . 3.44 561 374 B 112 TYR HE% A 29 LEU HBx 1.0 . 3.44 562 375 B 112 TYR HD% A 29 LEU HDx% 1.0 . 3.15 563 376 B 112 TYR HE% A 29 LEU HDx% 1.0 . 3.20 564 377 B 112 TYR HD% A 29 LEU HDy% 1.0 . 3.15 565 378 B 112 TYR HE% A 29 LEU HDy% 1.0 . 3.20 566 379 B 112 TYR HBy A 29 LEU HDx% 1.0 . 5.40 567 379 A 29 LEU HDy% B 112 TYR HBy 1.0 . 5.40 568 380 B 112 TYR HE% A 29 LEU HDx% 1.0 . 2.76 569 380 B 112 TYR HE% A 29 LEU HDy% 1.0 . 2.76 570 381 C 225 HIS HA A 29 LEU HDx% 1.0 . 5.44 571 381 A 29 LEU HDy% C 225 HIS HA 1.0 . 5.44 572 382 C 225 HIS HBx A 29 LEU HDx% 1.0 . 4.32 573 382 A 29 LEU HDy% C 225 HIS HBx 1.0 . 4.32 574 383 C 225 HIS HBy A 29 LEU HDx% 1.0 . 3.94 575 383 A 29 LEU HDy% C 225 HIS HBy 1.0 . 3.94 576 384 C 225 HIS HD2 A 29 LEU HDx% 1.0 . 4.12 577 384 A 29 LEU HDy% C 225 HIS HD2 1.0 . 4.12 578 385 A 30 ASN H A 29 LEU HDx% 1.0 . 5.40 579 385 A 29 LEU HDy% A 30 ASN H 1.0 . 5.40 580 386 A 31 THR HG2% A 31 THR H 1.0 . 4.97 581 387 A 31 THR HG2% A 31 THR HA 1.0 . 3.79 582 388 A 31 THR HA A 32 PRO HDx 1.0 . 3.67 583 388 A 31 THR HA A 32 PRO HDy 1.0 . 3.67 584 389 A 31 THR HB A 32 PRO HDx 1.0 . 4.22 585 389 A 32 PRO HDy A 31 THR HB 1.0 . 4.22 586 390 B 112 TYR HD% A 31 THR HG2% 1.0 . 3.12 587 391 A 31 THR HG2% A 32 PRO HDx 1.0 . 4.08 588 391 A 31 THR HG2% A 32 PRO HDy 1.0 . 4.08 589 392 A 31 THR HG2% A 34 CYS HBy 1.0 . 5.10 590 393 A 31 THR HG2% A 34 CYS HBx 1.0 . 4.91 591 394 A 31 THR HG2% A 37 GLN HE2y 1.0 . 5.34 592 394 A 31 THR HG2% A 37 GLN HE2x 1.0 . 5.34 593 395 A 34 CYS HBy A 37 GLN HE2y 1.0 . 4.82 594 396 A 34 CYS HBy A 37 GLN HE2x 1.0 . 4.82 595 397 A 35 ALA HB% A 36 CYS H 1.0 . 4.22 596 398 A 37 GLN HE2y A 35 ALA HB% 1.0 . 5.50 597 399 A 37 GLN HE2x A 35 ALA HB% 1.0 . 5.50 598 400 A 35 ALA HB% A 54 LYS HDx 1.0 . 4.03 599 400 A 35 ALA HB% A 54 LYS HDy 1.0 . 4.03 600 401 A 36 CYS CB C 265 CYS CB 1.0 . 3.99 601 402 A 36 CYS CB C 265 CYS SG 1.0 . 3.10 602 403 A 53 PRO HBx A 36 CYS HBy 1.0 . 5.50 603 404 A 53 PRO HBx A 36 CYS HBx 1.0 . 5.50 604 405 A 53 PRO HBx A 36 CYS HBx 1.0 . 4.78 605 405 A 53 PRO HBx A 36 CYS HBy 1.0 . 4.78 606 406 C 265 CYS CB A 36 CYS SG 1.0 . 3.10 607 407 C 265 CYS SG A 36 CYS SG 1.0 . 2.10 608 408 A 37 GLN H A 37 GLN HE2y 1.0 . 5.34 609 408 A 37 GLN H A 37 GLN HE2x 1.0 . 5.34 610 409 A 37 GLN H A 37 GLN HGx 1.0 . 4.69 611 409 A 37 GLN H A 37 GLN HGy 1.0 . 4.69 612 410 A 37 GLN H A 53 PRO HGx 1.0 . 4.60 613 411 A 37 GLN HE2y A 37 GLN HBx 1.0 . 4.90 614 411 A 37 GLN HBy A 37 GLN HE2y 1.0 . 4.90 615 412 A 37 GLN HE2x A 37 GLN HBx 1.0 . 4.90 616 412 A 37 GLN HBy A 37 GLN HE2x 1.0 . 4.90 617 413 A 37 GLN HBy A 37 GLN HE2x 1.0 . 4.26 618 413 A 37 GLN HE2x A 37 GLN HBx 1.0 . 4.26 619 413 A 37 GLN HBy A 37 GLN HE2y 1.0 . 4.26 620 413 A 37 GLN HE2y A 37 GLN HBx 1.0 . 4.26 621 414 A 37 GLN HE2y A 53 PRO HGx 1.0 . 5.01 622 414 A 37 GLN HE2x A 53 PRO HGx 1.0 . 5.01 623 415 A 38 ILE H A 38 ILE HB 1.0 . 3.96 624 416 A 38 ILE HD1% A 38 ILE H 1.0 . 4.91 625 417 A 38 ILE H A 38 ILE HG1x 1.0 . 5.16 626 417 A 38 ILE HG1y A 38 ILE H 1.0 . 5.16 627 418 A 38 ILE HG2% A 38 ILE H 1.0 . 4.48 628 419 A 38 ILE H A 51 ILE H 1.0 . 5.29 629 420 A 53 PRO HGx A 38 ILE H 1.0 . 5.26 630 421 A 38 ILE HD1% A 38 ILE HA 1.0 . 4.53 631 422 A 38 ILE HG2% A 38 ILE HA 1.0 . 3.74 632 423 A 38 ILE HD1% A 38 ILE HB 1.0 . 3.18 633 424 A 39 VAL H A 38 ILE HB 1.0 . 4.36 634 425 A 38 ILE HB A 51 ILE H 1.0 . 4.87 635 426 A 38 ILE HB A 51 ILE HB 1.0 . 4.76 636 427 A 51 ILE HG2% A 38 ILE HB 1.0 . 3.85 637 428 A 38 ILE HB A 58 ILE HG1y 1.0 . 5.34 638 428 A 58 ILE HG1x A 38 ILE HB 1.0 . 5.34 639 429 A 51 ILE H A 38 ILE O 1.0 . 2.00 640 430 A 38 ILE O A 51 ILE N 1.0 . 3.00 641 431 A 38 ILE HD1% A 51 ILE HB 1.0 . 4.39 642 432 A 38 ILE HD1% A 58 ILE HB 1.0 . 4.17 643 433 A 38 ILE HD1% A 58 ILE HD1% 1.0 . 3.13 644 434 A 38 ILE HD1% A 58 ILE HG1y 1.0 . 3.63 645 434 A 58 ILE HG1x A 38 ILE HD1% 1.0 . 3.63 646 435 A 38 ILE HD1% A 58 ILE HG2% 1.0 . 3.14 647 436 A 38 ILE HG1x A 58 ILE HG1y 1.0 . 5.34 648 436 A 38 ILE HG1y A 58 ILE HG1y 1.0 . 5.34 649 436 A 58 ILE HG1x A 38 ILE HG1x 1.0 . 5.34 650 436 A 58 ILE HG1x A 38 ILE HG1y 1.0 . 5.34 651 437 A 38 ILE HG2% A 38 ILE HG1x 1.0 . 3.53 652 437 A 38 ILE HG2% A 38 ILE HG1y 1.0 . 3.53 653 438 A 39 VAL H A 38 ILE HG2% 1.0 . 3.69 654 439 A 38 ILE HG2% A 51 ILE H 1.0 . 5.30 655 440 A 38 ILE HG2% A 51 ILE HB 1.0 . 4.29 656 441 A 38 ILE HG2% A 51 ILE HG1x 1.0 . 4.24 657 441 A 38 ILE HG2% A 51 ILE HG1y 1.0 . 4.24 658 442 A 38 ILE HG2% A 53 PRO HDx 1.0 . 5.50 659 442 A 53 PRO HDy A 38 ILE HG2% 1.0 . 5.50 660 443 A 39 VAL H A 39 VAL HGx% 1.0 . 5.50 661 444 A 39 VAL H A 39 VAL HGy% 1.0 . 5.50 662 445 A 39 VAL H A 39 VAL HGx% 1.0 . 4.29 663 445 A 39 VAL H A 39 VAL HGy% 1.0 . 4.29 664 446 A 39 VAL H A 51 ILE HG1x 1.0 . 4.98 665 446 A 39 VAL H A 51 ILE HG1y 1.0 . 4.98 666 447 A 39 VAL HA A 50 CYS HA 1.0 . 4.17 667 448 A 51 ILE H A 39 VAL HA 1.0 . 4.33 668 449 A 40 ALA H A 39 VAL HGx% 1.0 . 4.64 669 449 A 39 VAL HGy% A 40 ALA H 1.0 . 4.64 670 450 A 40 ALA HB% A 40 ALA H 1.0 . 4.04 671 451 A 40 ALA H A 49 VAL H 1.0 . 4.80 672 452 A 40 ALA H A 49 VAL O 1.0 . 2.00 673 453 A 51 ILE H A 40 ALA H 1.0 . 5.50 674 454 A 49 VAL O A 40 ALA N 1.0 . 3.00 675 455 A 49 VAL H A 40 ALA O 1.0 . 2.00 676 456 A 40 ALA O A 49 VAL N 1.0 . 3.00 677 457 A 41 ARG H A 40 ALA HB% 1.0 . 4.01 678 458 A 40 ALA HB% A 49 VAL H 1.0 . 4.86 679 459 A 40 ALA HB% A 49 VAL HB 1.0 . 5.15 680 460 A 49 VAL HGy% A 40 ALA HB% 1.0 . 2.92 681 461 A 40 ALA HB% A 51 ILE H 1.0 . 4.78 682 462 A 57 TRP HH2 A 40 ALA HB% 1.0 . 4.59 683 463 A 57 TRP HZ2 A 40 ALA HB% 1.0 . 4.54 684 464 A 41 ARG H A 41 ARG HDx 1.0 . 5.50 685 464 A 41 ARG H A 41 ARG HDy 1.0 . 5.50 686 465 A 41 ARG H A 49 VAL H 1.0 . 5.50 687 466 A 49 VAL HGy% A 41 ARG H 1.0 . 5.50 688 467 A 41 ARG HA A 41 ARG HDx 1.0 . 4.20 689 467 A 41 ARG HDy A 41 ARG HA 1.0 . 4.20 690 468 A 41 ARG HA A 48 GLN HA 1.0 . 4.61 691 469 A 41 ARG HA A 48 GLN HGx 1.0 . 5.48 692 469 A 41 ARG HA A 48 GLN HGy 1.0 . 5.48 693 470 A 49 VAL H A 41 ARG HA 1.0 . 4.75 694 471 A 49 VAL HGy% A 41 ARG HA 1.0 . 4.59 695 472 A 41 ARG HBy A 41 ARG HDx 1.0 . 3.84 696 472 A 41 ARG HDy A 41 ARG HBx 1.0 . 3.84 697 472 A 41 ARG HBy A 41 ARG HDy 1.0 . 3.84 698 472 A 41 ARG HBx A 41 ARG HDx 1.0 . 3.84 699 473 A 42 LEU H A 41 ARG HBx 1.0 . 4.89 700 473 A 42 LEU H A 41 ARG HBy 1.0 . 4.89 701 474 A 41 ARG HBx A 48 GLN HGx 1.0 . 5.31 702 474 A 48 GLN HGy A 41 ARG HBx 1.0 . 5.31 703 474 A 41 ARG HBy A 48 GLN HGy 1.0 . 5.31 704 474 A 41 ARG HBy A 48 GLN HGx 1.0 . 5.31 705 475 A 42 LEU H A 41 ARG HDx 1.0 . 5.01 706 475 A 42 LEU H A 41 ARG HDy 1.0 . 5.01 707 476 A 48 GLN HBy A 41 ARG HDx 1.0 . 5.37 708 476 A 41 ARG HDy A 48 GLN HBy 1.0 . 5.37 709 477 A 41 ARG HDx A 48 GLN HBx 1.0 . 5.37 710 477 A 41 ARG HDy A 48 GLN HBx 1.0 . 5.37 711 478 A 41 ARG HDx A 48 GLN HBx 1.0 . 4.67 712 478 A 41 ARG HDy A 48 GLN HBx 1.0 . 4.67 713 478 A 48 GLN HBy A 41 ARG HDx 1.0 . 4.67 714 478 A 41 ARG HDy A 48 GLN HBy 1.0 . 4.67 715 479 A 41 ARG HDx A 48 GLN HGx 1.0 . 5.48 716 479 A 41 ARG HDy A 48 GLN HGx 1.0 . 5.48 717 479 A 48 GLN HGy A 41 ARG HDx 1.0 . 5.48 718 479 A 41 ARG HDy A 48 GLN HGy 1.0 . 5.48 719 480 A 42 LEU HBx A 42 LEU H 1.0 . 4.10 720 481 A 42 LEU H A 42 LEU HG 1.0 . 4.31 721 482 A 42 LEU H A 42 LEU HDx% 1.0 . 4.49 722 483 A 42 LEU HDy% A 42 LEU H 1.0 . 4.49 723 484 A 42 LEU H A 42 LEU HDx% 1.0 . 3.90 724 484 A 42 LEU HDy% A 42 LEU H 1.0 . 3.90 725 485 A 42 LEU H A 48 GLN HA 1.0 . 4.55 726 486 A 42 LEU H A 49 VAL H 1.0 . 5.50 727 487 A 42 LEU HA A 42 LEU HDx% 1.0 . 4.51 728 488 A 42 LEU HDy% A 42 LEU HA 1.0 . 4.51 729 489 A 42 LEU HA A 42 LEU HDx% 1.0 . 3.22 730 489 A 42 LEU HDy% A 42 LEU HA 1.0 . 3.22 731 490 A 42 LEU HBx A 42 LEU HDx% 1.0 . 3.12 732 490 A 42 LEU HDy% A 42 LEU HBx 1.0 . 3.12 733 491 A 42 LEU HBx A 43 LYS H 1.0 . 5.06 734 492 A 42 LEU HBx A 47 ARG H 1.0 . 3.46 735 493 A 42 LEU HBy A 42 LEU HDx% 1.0 . 3.83 736 494 A 42 LEU HDy% A 42 LEU HBy 1.0 . 3.83 737 495 A 43 LYS H A 42 LEU HBy 1.0 . 4.72 738 496 A 47 ARG H A 42 LEU HBy 1.0 . 4.48 739 497 A 43 LYS H A 42 LEU HG 1.0 . 5.50 740 498 A 42 LEU HG A 47 ARG H 1.0 . 5.14 741 499 A 42 LEU HG A 49 VAL HGx% 1.0 . 3.92 742 500 A 49 VAL HGy% A 42 LEU HG 1.0 . 3.95 743 501 A 43 LYS H A 42 LEU HDx% 1.0 . 5.14 744 502 A 42 LEU HDy% A 43 LYS H 1.0 . 5.14 745 503 A 43 LYS H A 42 LEU HDx% 1.0 . 3.88 746 503 A 42 LEU HDy% A 43 LYS H 1.0 . 3.88 747 504 A 42 LEU HDx% A 46 ASN HBx 1.0 . 4.71 748 504 A 42 LEU HDy% A 46 ASN HBx 1.0 . 4.71 749 504 A 46 ASN HBy A 42 LEU HDx% 1.0 . 4.71 750 504 A 42 LEU HDy% A 46 ASN HBy 1.0 . 4.71 751 505 A 47 ARG H A 42 LEU HDx% 1.0 . 4.53 752 505 A 42 LEU HDy% A 47 ARG H 1.0 . 4.53 753 506 A 47 ARG HA A 42 LEU HDx% 1.0 . 5.11 754 506 A 42 LEU HDy% A 47 ARG HA 1.0 . 5.11 755 507 A 42 LEU HDx% A 47 ARG HBx 1.0 . 3.96 756 507 A 42 LEU HDy% A 47 ARG HBx 1.0 . 3.96 757 507 A 47 ARG HBy A 42 LEU HDx% 1.0 . 3.96 758 507 A 42 LEU HDy% A 47 ARG HBy 1.0 . 3.96 759 508 A 42 LEU HDx% A 47 ARG HDx 1.0 . 3.74 760 508 A 42 LEU HDy% A 47 ARG HDx 1.0 . 3.74 761 508 A 47 ARG HDy A 42 LEU HDx% 1.0 . 3.74 762 508 A 42 LEU HDy% A 47 ARG HDy 1.0 . 3.74 763 509 A 48 GLN H A 42 LEU HDx% 1.0 . 5.44 764 509 A 42 LEU HDy% A 48 GLN H 1.0 . 5.44 765 510 A 48 GLN HA A 42 LEU HDx% 1.0 . 4.50 766 510 A 42 LEU HDy% A 48 GLN HA 1.0 . 4.50 767 511 A 49 VAL H A 42 LEU HDx% 1.0 . 5.44 768 511 A 42 LEU HDy% A 49 VAL H 1.0 . 5.44 769 512 A 49 VAL HB A 42 LEU HDx% 1.0 . 4.26 770 512 A 42 LEU HDy% A 49 VAL HB 1.0 . 4.26 771 513 A 43 LYS HDy A 43 LYS H 1.0 . 3.86 772 514 A 43 LYS HGy A 43 LYS H 1.0 . 4.62 773 515 A 43 LYS HGx A 43 LYS H 1.0 . 4.24 774 516 A 43 LYS H A 43 LYS HEx 1.0 . 5.50 775 516 A 43 LYS H A 43 LYS HEy 1.0 . 5.50 776 517 A 43 LYS HDx A 43 LYS HA 1.0 . 5.02 777 518 A 43 LYS HDy A 43 LYS HA 1.0 . 5.01 778 519 A 43 LYS HGx A 43 LYS HA 1.0 . 4.12 779 520 A 43 LYS HA A 43 LYS HEx 1.0 . 4.47 780 520 A 43 LYS HA A 43 LYS HEy 1.0 . 4.47 781 521 A 43 LYS HBy A 43 LYS HEy 1.0 . 5.16 782 521 A 43 LYS HBy A 43 LYS HEx 1.0 . 5.16 783 522 A 43 LYS HEy A 43 LYS HBx 1.0 . 5.16 784 522 A 43 LYS HBx A 43 LYS HEx 1.0 . 5.16 785 523 A 43 LYS HDy A 43 LYS HBx 1.0 . 3.17 786 523 A 43 LYS HDy A 43 LYS HBy 1.0 . 3.17 787 524 A 43 LYS HBx A 43 LYS HEx 1.0 . 4.48 788 524 A 43 LYS HBy A 43 LYS HEx 1.0 . 4.48 789 524 A 43 LYS HEy A 43 LYS HBx 1.0 . 4.48 790 524 A 43 LYS HBy A 43 LYS HEy 1.0 . 4.48 791 525 A 47 ARG H A 46 ASN HBy 1.0 . 4.87 792 526 A 47 ARG H A 46 ASN HBx 1.0 . 4.87 793 527 A 47 ARG H A 46 ASN HBx 1.0 . 4.24 794 527 A 47 ARG H A 46 ASN HBy 1.0 . 4.24 795 528 A 47 ARG H A 47 ARG HDy 1.0 . 5.50 796 529 A 47 ARG H A 47 ARG HDx 1.0 . 5.50 797 530 A 47 ARG H A 47 ARG HGy 1.0 . 4.55 798 531 A 47 ARG H A 47 ARG HGx 1.0 . 4.55 799 532 A 47 ARG H A 47 ARG HBx 1.0 . 3.74 800 532 A 47 ARG H A 47 ARG HBy 1.0 . 3.74 801 533 A 47 ARG H A 47 ARG HDx 1.0 . 4.71 802 533 A 47 ARG H A 47 ARG HDy 1.0 . 4.71 803 534 A 47 ARG H A 47 ARG HGx 1.0 . 3.69 804 534 A 47 ARG H A 47 ARG HGy 1.0 . 3.69 805 535 A 47 ARG HA A 47 ARG HDy 1.0 . 4.74 806 536 A 47 ARG HA A 47 ARG HDx 1.0 . 4.74 807 537 A 47 ARG HA A 47 ARG HDx 1.0 . 3.86 808 537 A 47 ARG HA A 47 ARG HDy 1.0 . 3.86 809 538 A 47 ARG HA A 47 ARG HGx 1.0 . 3.70 810 538 A 47 ARG HA A 47 ARG HGy 1.0 . 3.70 811 539 A 47 ARG HA A 48 GLN H 1.0 . 3.46 812 540 A 47 ARG HBx A 47 ARG HDx 1.0 . 3.25 813 540 A 47 ARG HBy A 47 ARG HDx 1.0 . 3.25 814 540 A 47 ARG HDy A 47 ARG HBx 1.0 . 3.25 815 540 A 47 ARG HBy A 47 ARG HDy 1.0 . 3.25 816 541 A 48 GLN H A 47 ARG HBx 1.0 . 3.96 817 541 A 47 ARG HBy A 48 GLN H 1.0 . 3.96 818 542 A 47 ARG HDy A 47 ARG HGx 1.0 . 2.36 819 542 A 47 ARG HDx A 47 ARG HGx 1.0 . 2.36 820 542 A 47 ARG HGy A 47 ARG HDx 1.0 . 2.36 821 542 A 47 ARG HDy A 47 ARG HGy 1.0 . 2.36 822 543 A 48 GLN H A 47 ARG HGx 1.0 . 4.27 823 543 A 48 GLN H A 47 ARG HGy 1.0 . 4.27 824 544 A 48 GLN H A 48 GLN HGx 1.0 . 4.59 825 544 A 48 GLN HGy A 48 GLN H 1.0 . 4.59 826 545 A 48 GLN HA A 49 VAL HGx% 1.0 . 4.98 827 546 A 49 VAL H A 48 GLN HBy 1.0 . 4.71 828 547 A 49 VAL H A 48 GLN HBx 1.0 . 4.71 829 548 A 49 VAL H A 48 GLN HBx 1.0 . 4.12 830 548 A 49 VAL H A 48 GLN HBy 1.0 . 4.12 831 549 A 49 VAL H A 48 GLN HGx 1.0 . 5.50 832 549 A 49 VAL H A 48 GLN HGy 1.0 . 5.50 833 550 A 49 VAL H A 49 VAL HGx% 1.0 . 3.80 834 551 A 49 VAL HGy% A 49 VAL H 1.0 . 3.51 835 552 A 49 VAL HGx% A 49 VAL HA 1.0 . 3.51 836 553 B 121 TYR HE% A 49 VAL HB 1.0 . 5.50 837 554 A 49 VAL HB A 50 CYS H 1.0 . 4.17 838 555 B 121 TYR HD% A 49 VAL HGx% 1.0 . 4.24 839 556 B 121 TYR HE% A 49 VAL HGx% 1.0 . 3.29 840 557 A 49 VAL HGx% A 50 CYS H 1.0 . 4.29 841 558 B 121 TYR HE% A 49 VAL HGy% 1.0 . 3.51 842 559 A 49 VAL HGy% A 50 CYS H 1.0 . 4.56 843 560 A 50 CYS HBy A 51 ILE H 1.0 . 5.10 844 561 A 50 CYS HBx A 51 ILE H 1.0 . 4.74 845 562 A 51 ILE H A 51 ILE HG1y 1.0 . 5.09 846 563 A 51 ILE H A 51 ILE HG1x 1.0 . 5.09 847 564 A 51 ILE HD1% A 51 ILE H 1.0 . 3.75 848 565 A 51 ILE H A 51 ILE HG1x 1.0 . 4.34 849 565 A 51 ILE H A 51 ILE HG1y 1.0 . 4.34 850 566 A 51 ILE HA A 51 ILE HD1% 1.0 . 4.03 851 567 A 51 ILE HA A 51 ILE HG2% 1.0 . 3.91 852 568 A 51 ILE HA A 55 LEU HDx% 1.0 . 5.50 853 569 A 51 ILE HD1% A 51 ILE HB 1.0 . 3.28 854 570 A 52 ASP H A 51 ILE HB 1.0 . 4.54 855 571 A 51 ILE HB A 58 ILE HG1y 1.0 . 4.69 856 571 A 58 ILE HG1x A 51 ILE HB 1.0 . 4.69 857 572 A 52 ASP H A 51 ILE HG1y 1.0 . 5.16 858 573 A 52 ASP H A 51 ILE HG1x 1.0 . 5.16 859 574 A 52 ASP H A 51 ILE HD1% 1.0 . 4.86 860 575 A 51 ILE HD1% A 57 TRP HH2 1.0 . 4.37 861 576 A 51 ILE HD1% A 57 TRP HZ2 1.0 . 3.99 862 577 A 51 ILE HD1% A 58 ILE HG1y 1.0 . 4.78 863 577 A 51 ILE HD1% A 58 ILE HG1x 1.0 . 4.78 864 578 A 51 ILE HG1y A 58 ILE HG1y 1.0 . 4.22 865 578 A 51 ILE HG1x A 58 ILE HG1y 1.0 . 4.22 866 578 A 58 ILE HG1x A 51 ILE HG1x 1.0 . 4.22 867 578 A 58 ILE HG1x A 51 ILE HG1y 1.0 . 4.22 868 579 A 51 ILE HG2% A 51 ILE HG1y 1.0 . 3.27 869 580 A 51 ILE HG2% A 51 ILE HG1x 1.0 . 3.27 870 581 A 51 ILE HD1% A 51 ILE HG2% 1.0 . 2.40 871 582 A 51 ILE HG2% A 51 ILE HG1x 1.0 . 2.81 872 582 A 51 ILE HG2% A 51 ILE HG1y 1.0 . 2.81 873 583 A 52 ASP H A 51 ILE HG2% 1.0 . 4.23 874 584 A 51 ILE HG2% A 53 PRO HA 1.0 . 5.21 875 585 A 51 ILE HG2% A 57 TRP HZ2 1.0 . 5.50 876 586 A 51 ILE HG2% A 58 ILE HG1y 1.0 . 3.27 877 586 A 51 ILE HG2% A 58 ILE HG1x 1.0 . 3.27 878 587 A 52 ASP H A 52 ASP HBy 1.0 . 3.98 879 588 A 52 ASP H A 52 ASP HBx 1.0 . 3.98 880 589 A 52 ASP H A 55 LEU H 1.0 . 5.43 881 590 A 52 ASP H A 55 LEU HG 1.0 . 4.96 882 591 A 52 ASP H A 55 LEU HDx% 1.0 . 4.42 883 592 A 52 ASP HA A 53 PRO HDx 1.0 . 3.90 884 592 A 52 ASP HA A 53 PRO HDy 1.0 . 3.90 885 593 A 52 ASP HA A 54 LYS H 1.0 . 5.14 886 594 A 52 ASP HBy A 55 LEU H 1.0 . 5.22 887 595 A 52 ASP HBy A 55 LEU HDx% 1.0 . 4.78 888 596 A 52 ASP HBy A 55 LEU HDy% 1.0 . 4.93 889 597 A 55 LEU H A 52 ASP HBx 1.0 . 5.22 890 598 A 55 LEU HDx% A 52 ASP HBx 1.0 . 4.78 891 599 A 55 LEU HDy% A 52 ASP HBx 1.0 . 4.93 892 600 A 55 LEU H A 52 ASP HBx 1.0 . 4.56 893 600 A 52 ASP HBy A 55 LEU H 1.0 . 4.56 894 601 A 55 LEU HG A 52 ASP HBx 1.0 . 3.75 895 601 A 52 ASP HBy A 55 LEU HG 1.0 . 3.75 896 602 A 55 LEU HDx% A 52 ASP HBx 1.0 . 4.18 897 602 A 52 ASP HBy A 55 LEU HDx% 1.0 . 4.18 898 603 A 55 LEU HDy% A 52 ASP HBx 1.0 . 4.31 899 603 A 52 ASP HBy A 55 LEU HDy% 1.0 . 4.31 900 604 A 53 PRO HA A 55 LEU H 1.0 . 5.42 901 605 A 58 ILE HB A 53 PRO HA 1.0 . 5.41 902 606 A 58 ILE HD1% A 53 PRO HA 1.0 . 3.74 903 607 A 53 PRO HA A 58 ILE HG1y 1.0 . 4.25 904 607 A 58 ILE HG1x A 53 PRO HA 1.0 . 4.25 905 608 A 58 ILE HG2% A 53 PRO HA 1.0 . 3.75 906 609 A 53 PRO HBx A 58 ILE HG2% 1.0 . 5.12 907 610 A 58 ILE HG2% A 53 PRO HBy 1.0 . 4.96 908 611 A 54 LYS H A 53 PRO HGy 1.0 . 3.94 909 612 A 54 LYS H A 53 PRO HDx 1.0 . 4.53 910 612 A 53 PRO HDy A 54 LYS H 1.0 . 4.53 911 613 A 54 LYS H A 54 LYS HBy 1.0 . 3.74 912 614 A 54 LYS H A 54 LYS HBx 1.0 . 3.74 913 615 A 54 LYS H A 54 LYS HGy 1.0 . 4.25 914 616 A 54 LYS H A 54 LYS HGx 1.0 . 4.25 915 617 A 54 LYS H A 54 LYS HBx 1.0 . 3.24 916 617 A 54 LYS H A 54 LYS HBy 1.0 . 3.24 917 618 A 54 LYS H A 54 LYS HDx 1.0 . 4.66 918 618 A 54 LYS HDy A 54 LYS H 1.0 . 4.66 919 619 A 54 LYS H A 54 LYS HEx 1.0 . 4.66 920 619 A 54 LYS H A 54 LYS HEy 1.0 . 4.66 921 620 A 54 LYS H A 54 LYS HGy 1.0 . 3.68 922 620 A 54 LYS H A 54 LYS HGx 1.0 . 3.68 923 621 A 55 LEU H A 54 LYS H 1.0 . 3.84 924 622 A 58 ILE HB A 54 LYS H 1.0 . 5.50 925 623 A 58 ILE HG2% A 54 LYS H 1.0 . 4.46 926 624 A 54 LYS HA A 54 LYS HGy 1.0 . 3.99 927 625 A 54 LYS HGx A 54 LYS HA 1.0 . 3.99 928 626 A 54 LYS HA A 54 LYS HEx 1.0 . 5.50 929 626 A 54 LYS HEy A 54 LYS HA 1.0 . 5.50 930 627 A 54 LYS HA A 54 LYS HGy 1.0 . 3.46 931 627 A 54 LYS HGx A 54 LYS HA 1.0 . 3.46 932 628 A 54 LYS HA A 59 GLN HE2x 1.0 . 5.21 933 629 A 54 LYS HA A 59 GLN HE2y 1.0 . 4.38 934 630 A 54 LYS HA A 59 GLN HGx 1.0 . 4.26 935 630 A 54 LYS HA A 59 GLN HGy 1.0 . 4.26 936 631 A 54 LYS HDy A 54 LYS HBy 1.0 . 2.94 937 631 A 54 LYS HBy A 54 LYS HDx 1.0 . 2.94 938 632 A 54 LYS HBy A 54 LYS HEy 1.0 . 3.12 939 632 A 54 LYS HBy A 54 LYS HEx 1.0 . 3.12 940 633 A 54 LYS HDy A 54 LYS HBx 1.0 . 2.94 941 633 A 54 LYS HBx A 54 LYS HDx 1.0 . 2.94 942 634 A 54 LYS HEy A 54 LYS HBx 1.0 . 3.12 943 634 A 54 LYS HBx A 54 LYS HEx 1.0 . 3.12 944 635 A 54 LYS HEx A 54 LYS HGy 1.0 . 3.84 945 635 A 54 LYS HEy A 54 LYS HGy 1.0 . 3.84 946 636 A 54 LYS HEy A 54 LYS HGx 1.0 . 3.84 947 636 A 54 LYS HGx A 54 LYS HEx 1.0 . 3.84 948 637 A 54 LYS HBx A 54 LYS HDx 1.0 . 2.51 949 637 A 54 LYS HBy A 54 LYS HDx 1.0 . 2.51 950 637 A 54 LYS HDy A 54 LYS HBx 1.0 . 2.51 951 637 A 54 LYS HDy A 54 LYS HBy 1.0 . 2.51 952 638 A 54 LYS HBy A 54 LYS HEx 1.0 . 2.60 953 638 A 54 LYS HEy A 54 LYS HBx 1.0 . 2.60 954 638 A 54 LYS HBy A 54 LYS HEy 1.0 . 2.60 955 638 A 54 LYS HBx A 54 LYS HEx 1.0 . 2.60 956 639 A 54 LYS HBx A 54 LYS HGy 1.0 . 2.34 957 639 A 54 LYS HBy A 54 LYS HGy 1.0 . 2.34 958 639 A 54 LYS HGx A 54 LYS HBx 1.0 . 2.34 959 639 A 54 LYS HBy A 54 LYS HGx 1.0 . 2.34 960 640 A 54 LYS HDx A 54 LYS HEx 1.0 . 2.79 961 640 A 54 LYS HDy A 54 LYS HEx 1.0 . 2.79 962 640 A 54 LYS HEy A 54 LYS HDx 1.0 . 2.79 963 640 A 54 LYS HDy A 54 LYS HEy 1.0 . 2.79 964 641 A 54 LYS HEx A 54 LYS HGy 1.0 . 3.29 965 641 A 54 LYS HEy A 54 LYS HGy 1.0 . 3.29 966 641 A 54 LYS HGx A 54 LYS HEx 1.0 . 3.29 967 641 A 54 LYS HEy A 54 LYS HGx 1.0 . 3.29 968 642 A 55 LEU H A 55 LEU HBy 1.0 . 3.97 969 643 A 55 LEU H A 55 LEU HBx 1.0 . 3.71 970 644 A 55 LEU H A 55 LEU HG 1.0 . 3.68 971 645 A 55 LEU HDx% A 55 LEU H 1.0 . 4.77 972 646 A 58 ILE HB A 55 LEU H 1.0 . 4.16 973 647 A 58 ILE HD1% A 55 LEU H 1.0 . 5.14 974 648 A 55 LEU H A 58 ILE HG1y 1.0 . 4.31 975 648 A 58 ILE HG1x A 55 LEU H 1.0 . 4.31 976 649 A 58 ILE HG2% A 55 LEU H 1.0 . 4.90 977 650 A 55 LEU HDx% A 55 LEU HA 1.0 . 4.73 978 651 A 55 LEU HDy% A 55 LEU HA 1.0 . 3.45 979 652 A 55 LEU HA A 58 ILE H 1.0 . 5.50 980 653 A 55 LEU HA A 58 ILE HG1y 1.0 . 5.17 981 653 A 58 ILE HG1x A 55 LEU HA 1.0 . 5.17 982 654 A 55 LEU HDx% A 55 LEU HBy 1.0 . 3.29 983 655 A 55 LEU HDy% A 55 LEU HBy 1.0 . 3.28 984 656 A 55 LEU HBy A 58 ILE H 1.0 . 4.97 985 657 A 58 ILE HB A 55 LEU HBy 1.0 . 5.03 986 658 A 55 LEU HBy A 58 ILE HG1y 1.0 . 4.15 987 658 A 58 ILE HG1x A 55 LEU HBy 1.0 . 4.15 988 659 A 55 LEU HBy A 59 GLN H 1.0 . 5.23 989 660 A 55 LEU HBx A 56 LYS H 1.0 . 5.14 990 661 A 55 LEU HBx A 58 ILE H 1.0 . 4.73 991 662 A 58 ILE HB A 55 LEU HBx 1.0 . 5.06 992 663 A 58 ILE HG1x A 55 LEU HBx 1.0 . 4.79 993 664 A 55 LEU HBx A 58 ILE HG1y 1.0 . 4.79 994 665 A 58 ILE HD1% A 55 LEU HBx 1.0 . 5.03 995 666 A 55 LEU HBx A 58 ILE HG1y 1.0 . 4.13 996 666 A 58 ILE HG1x A 55 LEU HBx 1.0 . 4.13 997 667 A 55 LEU HBx A 59 GLN H 1.0 . 5.50 998 668 A 58 ILE HB A 55 LEU HG 1.0 . 5.12 999 669 A 55 LEU HG A 58 ILE HG1y 1.0 . 5.21 1000 669 A 58 ILE HG1x A 55 LEU HG 1.0 . 5.21 1001 670 A 55 LEU HDx% A 57 TRP HD1 1.0 . 4.64 1002 671 A 55 LEU HDx% A 57 TRP HE1 1.0 . 4.01 1003 672 A 55 LEU HDx% A 57 TRP HZ2 1.0 . 3.88 1004 673 A 55 LEU HDx% A 58 ILE H 1.0 . 5.50 1005 674 A 55 LEU HDx% A 58 ILE HG1y 1.0 . 3.64 1006 674 A 55 LEU HDx% A 58 ILE HG1x 1.0 . 3.64 1007 675 A 55 LEU HDy% A 56 LYS H 1.0 . 5.32 1008 676 A 55 LEU HDy% A 57 TRP HD1 1.0 . 3.35 1009 677 A 55 LEU HDy% A 57 TRP HE1 1.0 . 4.01 1010 678 A 55 LEU HDy% A 57 TRP HZ2 1.0 . 5.24 1011 679 A 55 LEU HDy% A 58 ILE H 1.0 . 5.50 1012 680 A 55 LEU HDy% A 58 ILE HG1y 1.0 . 4.06 1013 680 A 55 LEU HDy% A 58 ILE HG1x 1.0 . 4.06 1014 681 A 56 LYS H A 56 LYS HDx 1.0 . 5.34 1015 681 A 56 LYS H A 56 LYS HDy 1.0 . 5.34 1016 682 A 56 LYS HDy A 56 LYS HA 1.0 . 4.43 1017 683 A 56 LYS HA A 56 LYS HDx 1.0 . 4.43 1018 684 A 56 LYS HA A 56 LYS HGy 1.0 . 4.15 1019 685 A 56 LYS HA A 56 LYS HGx 1.0 . 4.15 1020 686 A 56 LYS HA A 56 LYS HDx 1.0 . 3.84 1021 686 A 56 LYS HDy A 56 LYS HA 1.0 . 3.84 1022 687 A 56 LYS HA A 56 LYS HEx 1.0 . 4.77 1023 687 A 56 LYS HA A 56 LYS HEy 1.0 . 4.77 1024 688 A 56 LYS HA A 56 LYS HGy 1.0 . 3.62 1025 688 A 56 LYS HA A 56 LYS HGx 1.0 . 3.62 1026 689 A 59 GLN H A 56 LYS HA 1.0 . 4.77 1027 690 A 56 LYS HA A 59 GLN HGx 1.0 . 4.26 1028 690 A 59 GLN HGy A 56 LYS HA 1.0 . 4.26 1029 691 A 56 LYS HA A 60 GLU H 1.0 . 5.02 1030 692 A 56 LYS HEx A 56 LYS HGy 1.0 . 4.10 1031 692 A 56 LYS HEy A 56 LYS HGy 1.0 . 4.10 1032 693 A 56 LYS HGx A 56 LYS HEx 1.0 . 4.10 1033 693 A 56 LYS HEy A 56 LYS HGx 1.0 . 4.10 1034 694 A 56 LYS HDy A 56 LYS HBx 1.0 . 3.62 1035 694 A 56 LYS HDy A 56 LYS HBy 1.0 . 3.62 1036 695 A 56 LYS HBx A 56 LYS HDx 1.0 . 3.62 1037 695 A 56 LYS HBy A 56 LYS HDx 1.0 . 3.62 1038 696 A 56 LYS HBx A 56 LYS HDx 1.0 . 3.14 1039 696 A 56 LYS HBy A 56 LYS HDx 1.0 . 3.14 1040 696 A 56 LYS HDy A 56 LYS HBx 1.0 . 3.14 1041 696 A 56 LYS HDy A 56 LYS HBy 1.0 . 3.14 1042 697 A 56 LYS HBy A 56 LYS HEx 1.0 . 4.26 1043 697 A 56 LYS HEy A 56 LYS HBx 1.0 . 4.26 1044 697 A 56 LYS HEy A 56 LYS HBy 1.0 . 4.26 1045 697 A 56 LYS HBx A 56 LYS HEx 1.0 . 4.26 1046 698 A 57 TRP H A 56 LYS HBx 1.0 . 4.07 1047 698 A 56 LYS HBy A 57 TRP H 1.0 . 4.07 1048 699 A 57 TRP H A 56 LYS HDx 1.0 . 5.13 1049 699 A 56 LYS HDy A 57 TRP H 1.0 . 5.13 1050 700 A 60 GLU HGy A 56 LYS HDx 1.0 . 4.86 1051 700 A 56 LYS HDy A 60 GLU HGy 1.0 . 4.86 1052 701 A 56 LYS HDy A 56 LYS HGy 1.0 . 2.35 1053 701 A 56 LYS HDx A 56 LYS HGy 1.0 . 2.35 1054 701 A 56 LYS HGx A 56 LYS HDx 1.0 . 2.35 1055 701 A 56 LYS HDy A 56 LYS HGx 1.0 . 2.35 1056 702 A 57 TRP H A 56 LYS HGy 1.0 . 5.34 1057 702 A 56 LYS HGx A 57 TRP H 1.0 . 5.34 1058 703 A 60 GLU HGy A 56 LYS HGy 1.0 . 4.56 1059 703 A 56 LYS HGx A 60 GLU HGy 1.0 . 4.56 1060 704 A 60 GLU HGx A 56 LYS HGy 1.0 . 4.21 1061 704 A 56 LYS HGx A 60 GLU HGx 1.0 . 4.21 1062 705 A 57 TRP HBx A 57 TRP H 1.0 . 4.19 1063 706 A 57 TRP HE1 A 57 TRP H 1.0 . 5.39 1064 707 A 58 ILE H A 57 TRP H 1.0 . 4.41 1065 708 A 60 GLU H A 57 TRP HA 1.0 . 4.95 1066 709 A 57 TRP HA A 60 GLU HBx 1.0 . 4.74 1067 710 A 57 TRP HA A 60 GLU HBy 1.0 . 4.76 1068 711 A 60 GLU HGy A 57 TRP HA 1.0 . 5.22 1069 712 A 60 GLU HGx A 57 TRP HA 1.0 . 5.10 1070 713 A 57 TRP HA A 61 TYR H 1.0 . 5.49 1071 714 A 57 TRP HBx A 57 TRP HD1 1.0 . 3.45 1072 715 A 57 TRP HE3 A 58 ILE HD1% 1.0 . 4.83 1073 716 A 57 TRP HZ2 A 58 ILE HG1y 1.0 . 4.30 1074 716 A 57 TRP HZ2 A 58 ILE HG1x 1.0 . 4.30 1075 717 A 58 ILE HB A 58 ILE H 1.0 . 4.01 1076 718 A 58 ILE HG1x A 58 ILE H 1.0 . 4.54 1077 719 A 58 ILE H A 58 ILE HG1y 1.0 . 4.54 1078 720 A 58 ILE HD1% A 58 ILE H 1.0 . 4.46 1079 721 A 58 ILE H A 58 ILE HG1y 1.0 . 3.80 1080 721 A 58 ILE HG1x A 58 ILE H 1.0 . 3.80 1081 722 A 58 ILE HG2% A 58 ILE H 1.0 . 4.40 1082 723 A 58 ILE H A 59 GLN H 1.0 . 4.07 1083 724 A 58 ILE H A 60 GLU H 1.0 . 5.35 1084 725 A 58 ILE HD1% A 58 ILE HA 1.0 . 3.75 1085 726 A 58 ILE HA A 58 ILE HG1y 1.0 . 3.73 1086 726 A 58 ILE HG1x A 58 ILE HA 1.0 . 3.73 1087 727 A 58 ILE HG2% A 58 ILE HA 1.0 . 3.77 1088 728 A 61 TYR HD% A 58 ILE HA 1.0 . 5.02 1089 729 A 58 ILE HB A 58 ILE HD1% 1.0 . 3.46 1090 730 A 58 ILE HB A 59 GLN H 1.0 . 4.13 1091 731 A 58 ILE HB A 62 LEU HDx% 1.0 . 4.39 1092 732 A 62 LEU H A 58 ILE HD1% 1.0 . 5.08 1093 733 A 59 GLN H A 58 ILE HG1y 1.0 . 5.34 1094 733 A 58 ILE HG1x A 59 GLN H 1.0 . 5.34 1095 734 A 58 ILE HG1x A 58 ILE HG2% 1.0 . 4.08 1096 735 A 58 ILE HG2% A 58 ILE HG1y 1.0 . 4.08 1097 736 A 58 ILE HG2% A 59 GLN H 1.0 . 4.51 1098 737 A 58 ILE HG2% A 59 GLN HGx 1.0 . 5.49 1099 737 A 58 ILE HG2% A 59 GLN HGy 1.0 . 5.49 1100 738 A 58 ILE HG2% A 61 TYR H 1.0 . 5.28 1101 739 A 62 LEU H A 58 ILE HG2% 1.0 . 4.88 1102 740 A 59 GLN HE2x A 59 GLN H 1.0 . 5.36 1103 741 A 59 GLN HE2y A 59 GLN H 1.0 . 4.86 1104 742 A 59 GLN H A 59 GLN HBy 1.0 . 3.62 1105 742 A 59 GLN H A 59 GLN HBx 1.0 . 3.62 1106 743 A 59 GLN H A 59 GLN HGx 1.0 . 3.74 1107 743 A 59 GLN HGy A 59 GLN H 1.0 . 3.74 1108 744 A 59 GLN H A 60 GLU H 1.0 . 4.18 1109 745 A 59 GLN HA C 266 LEU HD11 1.0 . 3.77 1110 745 A 59 GLN HA C 266 LEU HD21 1.0 . 3.77 1111 746 A 59 GLN HE2y A 59 GLN HA 1.0 . 5.03 1112 747 A 59 GLN HA A 59 GLN HGx 1.0 . 3.99 1113 747 A 59 GLN HGy A 59 GLN HA 1.0 . 3.99 1114 748 A 62 LEU H A 59 GLN HA 1.0 . 4.98 1115 749 A 62 LEU HDx% A 59 GLN HA 1.0 . 4.13 1116 750 A 59 GLN HA A 63 GLU H 1.0 . 5.30 1117 751 A 59 GLN HE2x C 266 LEU HA 1.0 . 4.74 1118 752 A 59 GLN HE2x C 266 LEU HD11 1.0 . 4.59 1119 752 A 59 GLN HE2x C 266 LEU HD21 1.0 . 4.59 1120 753 A 59 GLN HE2x A 62 LEU HDx% 1.0 . 4.76 1121 754 A 59 GLN HE2y C 266 LEU HBx 1.0 . 5.50 1122 755 A 59 GLN HE2y C 266 LEU HBy 1.0 . 5.50 1123 756 A 59 GLN HE2y C 266 LEU HG 1.0 . 5.50 1124 757 A 59 GLN HE2y C 266 LEU HD11 1.0 . 5.50 1125 758 A 59 GLN HE2y C 266 LEU HD21 1.0 . 5.50 1126 759 A 59 GLN HE2y C 266 LEU HD11 1.0 . 4.22 1127 759 A 59 GLN HE2y C 266 LEU HD21 1.0 . 4.22 1128 760 A 59 GLN HBx C 266 LEU HD11 1.0 . 3.75 1129 760 A 59 GLN HBy C 266 LEU HD11 1.0 . 3.75 1130 760 C 266 LEU HD21 A 59 GLN HBy 1.0 . 3.75 1131 760 A 59 GLN HBx C 266 LEU HD21 1.0 . 3.75 1132 761 A 59 GLN HE2x A 59 GLN HBy 1.0 . 5.00 1133 761 A 59 GLN HE2x A 59 GLN HBx 1.0 . 5.00 1134 762 B 127 PRO HBy A 59 GLN HGx 1.0 . 5.50 1135 762 A 59 GLN HGy B 127 PRO HBy 1.0 . 5.50 1136 763 A 59 GLN HGx B 127 PRO HBx 1.0 . 5.50 1137 763 A 59 GLN HGy B 127 PRO HBx 1.0 . 5.50 1138 764 A 59 GLN HGx B 127 PRO HBx 1.0 . 4.78 1139 764 A 59 GLN HGy B 127 PRO HBx 1.0 . 4.78 1140 764 B 127 PRO HBy A 59 GLN HGx 1.0 . 4.78 1141 764 A 59 GLN HGy B 127 PRO HBy 1.0 . 4.78 1142 765 A 59 GLN HGy C 266 LEU HD11 1.0 . 4.55 1143 765 A 59 GLN HGx C 266 LEU HD11 1.0 . 4.55 1144 765 C 266 LEU HD21 A 59 GLN HGx 1.0 . 4.55 1145 765 A 59 GLN HGy C 266 LEU HD21 1.0 . 4.55 1146 766 A 59 GLN HE2y A 59 GLN HGx 1.0 . 4.05 1147 766 A 59 GLN HE2y A 59 GLN HGy 1.0 . 4.05 1148 767 A 60 GLU H A 60 GLU HGy 1.0 . 4.06 1149 768 A 60 GLU H A 60 GLU HGx 1.0 . 4.27 1150 769 A 60 GLU H A 61 TYR H 1.0 . 4.18 1151 770 A 60 GLU HGy A 60 GLU HA 1.0 . 4.20 1152 771 A 60 GLU HGx A 60 GLU HA 1.0 . 3.90 1153 772 A 63 GLU H A 60 GLU HA 1.0 . 4.63 1154 773 A 60 GLU HA A 63 GLU HBy 1.0 . 4.05 1155 774 A 60 GLU HA A 63 GLU HBx 1.0 . 4.04 1156 775 A 60 GLU HA A 64 LYS H 1.0 . 5.28 1157 776 A 60 GLU HBx A 61 TYR H 1.0 . 4.84 1158 777 A 60 GLU HGx A 60 GLU HBy 1.0 . 2.42 1159 778 A 61 TYR HBx A 61 TYR H 1.0 . 3.77 1160 779 A 61 TYR HBy A 61 TYR H 1.0 . 3.91 1161 780 A 61 TYR HD% A 61 TYR H 1.0 . 4.77 1162 781 A 62 LEU H A 61 TYR H 1.0 . 4.25 1163 782 A 61 TYR H A 64 LYS HGy 1.0 . 5.45 1164 783 A 61 TYR HD% A 61 TYR HA 1.0 . 3.50 1165 784 A 61 TYR HBx A 62 LEU H 1.0 . 4.27 1166 785 A 61 TYR HBy A 62 LEU H 1.0 . 4.55 1167 786 A 61 TYR HD% C 228 ILE HG1x 1.0 . 5.50 1168 786 C 228 ILE HG1y A 61 TYR HD% 1.0 . 5.50 1169 787 C 228 ILE HG21 A 61 TYR HD% 1.0 . 3.56 1170 788 A 61 TYR HD% A 62 LEU HG 1.0 . 3.98 1171 789 A 61 TYR HE% C 228 ILE HB 1.0 . 3.58 1172 790 A 61 TYR HE% C 228 ILE HD11 1.0 . 4.83 1173 791 A 61 TYR HE% C 228 ILE HG1x 1.0 . 4.12 1174 791 A 61 TYR HE% C 228 ILE HG1y 1.0 . 4.12 1175 792 A 61 TYR HE% C 228 ILE HG21 1.0 . 3.32 1176 793 A 61 TYR HE% A 65 CYS HBy 1.0 . 4.60 1177 794 A 62 LEU H C 266 LEU HD11 1.0 . 4.69 1178 794 A 62 LEU H C 266 LEU HD21 1.0 . 4.69 1179 795 A 62 LEU H A 62 LEU HG 1.0 . 3.66 1180 796 A 62 LEU H A 62 LEU HDx% 1.0 . 4.39 1181 797 A 62 LEU H A 62 LEU HDy% 1.0 . 4.19 1182 798 A 62 LEU H A 63 GLU H 1.0 . 4.15 1183 799 C 228 ILE HD11 A 62 LEU HA 1.0 . 4.55 1184 800 A 62 LEU HA C 266 LEU HD11 1.0 . 4.64 1185 800 C 266 LEU HD21 A 62 LEU HA 1.0 . 4.64 1186 801 A 62 LEU HG A 62 LEU HA 1.0 . 4.22 1187 802 A 62 LEU HDx% A 62 LEU HA 1.0 . 4.40 1188 803 A 62 LEU HDy% A 62 LEU HA 1.0 . 3.30 1189 804 A 62 LEU HA A 65 CYS H 1.0 . 4.29 1190 805 A 62 LEU HA A 66 LEU H 1.0 . 5.30 1191 806 A 62 LEU HBy C 266 LEU HD11 1.0 . 3.84 1192 806 C 266 LEU HD21 A 62 LEU HBy 1.0 . 3.84 1193 807 A 62 LEU HDx% A 62 LEU HBy 1.0 . 3.92 1194 808 A 62 LEU HDy% A 62 LEU HBy 1.0 . 3.28 1195 809 A 63 GLU H A 62 LEU HBy 1.0 . 5.19 1196 810 A 62 LEU HDx% A 62 LEU HBx 1.0 . 3.82 1197 811 A 62 LEU HDy% A 62 LEU HBx 1.0 . 3.84 1198 812 A 63 GLU H A 62 LEU HBx 1.0 . 5.27 1199 813 A 62 LEU HDx% C 265 CYS H 1.0 . 4.27 1200 814 A 62 LEU HDx% C 266 LEU HA 1.0 . 4.82 1201 815 A 62 LEU HDx% A 63 GLU H 1.0 . 4.79 1202 816 A 62 LEU HDy% C 266 LEU H 1.0 . 4.94 1203 817 A 63 GLU H C 266 LEU HD11 1.0 . 5.50 1204 818 C 266 LEU HD21 A 63 GLU H 1.0 . 5.50 1205 819 A 63 GLU H C 266 LEU HD11 1.0 . 4.17 1206 819 C 266 LEU HD21 A 63 GLU H 1.0 . 4.17 1207 820 A 63 GLU H A 63 GLU HBy 1.0 . 3.68 1208 821 A 63 GLU H A 63 GLU HBx 1.0 . 3.93 1209 822 A 63 GLU H A 63 GLU HGy 1.0 . 4.16 1210 823 A 63 GLU H A 63 GLU HGx 1.0 . 4.12 1211 824 A 63 GLU H A 64 LYS H 1.0 . 4.06 1212 825 A 63 GLU HGx A 63 GLU HA 1.0 . 4.00 1213 826 A 66 LEU H A 63 GLU HA 1.0 . 4.61 1214 827 A 63 GLU HA A 66 LEU HDx% 1.0 . 3.81 1215 827 A 63 GLU HA A 66 LEU HDy% 1.0 . 3.81 1216 828 A 63 GLU HBy A 64 LYS H 1.0 . 4.34 1217 829 A 63 GLU HBx A 64 LYS H 1.0 . 4.54 1218 830 C 266 LEU HG A 63 GLU HGy 1.0 . 4.54 1219 831 A 63 GLU HGy C 266 LEU HD11 1.0 . 4.14 1220 831 C 266 LEU HD21 A 63 GLU HGy 1.0 . 4.14 1221 832 A 64 LYS H A 63 GLU HGy 1.0 . 5.10 1222 833 C 266 LEU HG A 63 GLU HGx 1.0 . 4.40 1223 834 A 64 LYS H A 63 GLU HGx 1.0 . 4.83 1224 835 A 64 LYS H A 64 LYS HBx 1.0 . 3.85 1225 836 A 64 LYS H A 64 LYS HBy 1.0 . 3.74 1226 837 A 64 LYS H A 64 LYS HGy 1.0 . 4.10 1227 838 A 64 LYS H A 64 LYS HGx 1.0 . 4.13 1228 839 A 64 LYS H A 64 LYS HDx 1.0 . 4.45 1229 839 A 64 LYS H A 64 LYS HDy 1.0 . 4.45 1230 840 A 64 LYS H A 64 LYS HEx 1.0 . 5.21 1231 840 A 64 LYS H A 64 LYS HEy 1.0 . 5.21 1232 841 A 64 LYS H A 65 CYS H 1.0 . 3.43 1233 842 A 64 LYS HGx A 64 LYS HA 1.0 . 3.98 1234 843 A 64 LYS HA A 64 LYS HDx 1.0 . 3.61 1235 843 A 64 LYS HDy A 64 LYS HA 1.0 . 3.61 1236 844 A 64 LYS HBx A 64 LYS HDx 1.0 . 3.40 1237 844 A 64 LYS HBx A 64 LYS HDy 1.0 . 3.40 1238 845 A 64 LYS HBx A 64 LYS HEx 1.0 . 5.31 1239 845 A 64 LYS HBx A 64 LYS HEy 1.0 . 5.31 1240 846 A 65 CYS H A 64 LYS HBx 1.0 . 4.60 1241 847 A 64 LYS HBy A 64 LYS HDx 1.0 . 3.52 1242 847 A 64 LYS HBy A 64 LYS HDy 1.0 . 3.52 1243 848 A 64 LYS HBy A 64 LYS HEx 1.0 . 3.98 1244 848 A 64 LYS HBy A 64 LYS HEy 1.0 . 3.98 1245 849 A 64 LYS HGy A 64 LYS HDx 1.0 . 2.40 1246 849 A 64 LYS HGy A 64 LYS HDy 1.0 . 2.40 1247 850 A 64 LYS HGy A 64 LYS HEx 1.0 . 3.30 1248 850 A 64 LYS HGy A 64 LYS HEy 1.0 . 3.30 1249 851 A 64 LYS HGx A 64 LYS HDx 1.0 . 2.40 1250 851 A 64 LYS HGx A 64 LYS HDy 1.0 . 2.40 1251 852 A 64 LYS HGx A 64 LYS HEx 1.0 . 3.30 1252 852 A 64 LYS HGx A 64 LYS HEy 1.0 . 3.30 1253 853 A 65 CYS H A 64 LYS HGx 1.0 . 5.49 1254 854 A 64 LYS HDx A 64 LYS HEx 1.0 . 2.92 1255 854 A 64 LYS HDy A 64 LYS HEx 1.0 . 2.92 1256 854 A 64 LYS HEy A 64 LYS HDx 1.0 . 2.92 1257 854 A 64 LYS HDy A 64 LYS HEy 1.0 . 2.92 1258 855 A 65 CYS CB C 236 CYS CB 1.0 . 3.99 1259 856 A 65 CYS CB C 236 CYS SG 1.0 . 3.10 1260 857 A 65 CYS H C 262 LEU HD11 1.0 . 4.27 1261 858 A 65 CYS HBy A 65 CYS H 1.0 . 3.90 1262 859 A 65 CYS H A 65 CYS HBx 1.0 . 3.97 1263 860 A 65 CYS H A 66 LEU H 1.0 . 3.92 1264 861 A 65 CYS H A 68 LYS HDx 1.0 . 4.99 1265 861 A 65 CYS H A 68 LYS HDy 1.0 . 4.99 1266 862 A 65 CYS H A 68 LYS HGx 1.0 . 4.36 1267 862 A 65 CYS H A 68 LYS HGy 1.0 . 4.36 1268 863 A 65 CYS HA A 68 LYS H 1.0 . 4.69 1269 864 A 65 CYS HBy A 66 LEU H 1.0 . 5.38 1270 865 A 66 LEU H A 65 CYS HBx 1.0 . 5.49 1271 866 C 236 CYS CB A 65 CYS SG 1.0 . 3.10 1272 867 C 236 CYS SG A 65 CYS SG 1.0 . 2.10 1273 868 A 66 LEU H C 262 LEU HD21 1.0 . 4.94 1274 869 A 66 LEU H A 66 LEU HBy 1.0 . 4.16 1275 870 A 66 LEU H A 66 LEU HBx 1.0 . 4.16 1276 871 A 66 LEU H A 66 LEU HG 1.0 . 4.18 1277 872 A 66 LEU H A 66 LEU HBx 1.0 . 3.65 1278 872 A 66 LEU H A 66 LEU HBy 1.0 . 3.65 1279 873 A 66 LEU H A 66 LEU HDx% 1.0 . 4.09 1280 874 A 66 LEU H A 66 LEU HDy% 1.0 . 4.09 1281 875 A 66 LEU H A 67 ASN H 1.0 . 4.24 1282 876 A 66 LEU HA C 259 GLN HE2x 1.0 . 4.74 1283 877 C 262 LEU HD11 A 66 LEU HA 1.0 . 4.82 1284 878 A 66 LEU HA A 66 LEU HDx% 1.0 . 3.96 1285 878 A 66 LEU HDy% A 66 LEU HA 1.0 . 3.96 1286 879 A 66 LEU HBy C 259 GLN HE2y 1.0 . 5.50 1287 880 A 66 LEU HBy A 67 ASN H 1.0 . 4.43 1288 881 C 259 GLN HE2y A 66 LEU HBx 1.0 . 5.50 1289 882 A 67 ASN H A 66 LEU HBx 1.0 . 4.43 1290 883 A 66 LEU HG C 259 GLN HE2y 1.0 . 5.50 1291 884 A 66 LEU HG C 263 GLU HGx 1.0 . 4.54 1292 885 A 66 LEU HG C 263 GLU HGy 1.0 . 4.40 1293 886 A 66 LEU HBx D 327 PRO HBy 1.0 . 5.18 1294 886 A 66 LEU HBy D 327 PRO HBy 1.0 . 5.18 1295 886 D 327 PRO HBx A 66 LEU HBx 1.0 . 5.18 1296 886 A 66 LEU HBy D 327 PRO HBx 1.0 . 5.18 1297 887 A 66 LEU HG A 66 LEU HBx 1.0 . 2.41 1298 887 A 66 LEU HG A 66 LEU HBy 1.0 . 2.41 1299 888 A 66 LEU HBx A 66 LEU HDx% 1.0 . 2.67 1300 888 A 66 LEU HBy A 66 LEU HDx% 1.0 . 2.67 1301 888 A 66 LEU HDy% A 66 LEU HBx 1.0 . 2.67 1302 888 A 66 LEU HDy% A 66 LEU HBy 1.0 . 2.67 1303 889 C 259 GLN HE2y A 66 LEU HDx% 1.0 . 5.50 1304 890 C 263 GLU H A 66 LEU HDx% 1.0 . 5.50 1305 891 A 66 LEU HDy% C 259 GLN HE2y 1.0 . 5.50 1306 892 A 66 LEU HDy% C 263 GLU H 1.0 . 5.50 1307 893 C 259 GLN HA A 66 LEU HDx% 1.0 . 3.77 1308 893 A 66 LEU HDy% C 259 GLN HA 1.0 . 3.77 1309 894 C 259 GLN HE2x A 66 LEU HDx% 1.0 . 4.59 1310 894 A 66 LEU HDy% C 259 GLN HE2x 1.0 . 4.59 1311 895 C 259 GLN HE2y A 66 LEU HDx% 1.0 . 4.22 1312 895 A 66 LEU HDy% C 259 GLN HE2y 1.0 . 4.22 1313 896 A 66 LEU HDx% C 259 GLN HBx 1.0 . 3.75 1314 896 A 66 LEU HDy% C 259 GLN HBx 1.0 . 3.75 1315 896 C 259 GLN HBy A 66 LEU HDx% 1.0 . 3.75 1316 896 A 66 LEU HDy% C 259 GLN HBy 1.0 . 3.75 1317 897 A 66 LEU HDx% C 259 GLN HGx 1.0 . 4.55 1318 897 A 66 LEU HDy% C 259 GLN HGx 1.0 . 4.55 1319 897 C 259 GLN HGy A 66 LEU HDx% 1.0 . 4.55 1320 897 A 66 LEU HDy% C 259 GLN HGy 1.0 . 4.55 1321 898 C 262 LEU H A 66 LEU HDx% 1.0 . 4.69 1322 898 A 66 LEU HDy% C 262 LEU H 1.0 . 4.69 1323 899 C 262 LEU HA A 66 LEU HDx% 1.0 . 4.64 1324 899 C 262 LEU HA A 66 LEU HDy% 1.0 . 4.64 1325 900 C 262 LEU HBx A 66 LEU HDx% 1.0 . 3.84 1326 900 A 66 LEU HDy% C 262 LEU HBx 1.0 . 3.84 1327 901 C 263 GLU H A 66 LEU HDx% 1.0 . 4.17 1328 901 A 66 LEU HDy% C 263 GLU H 1.0 . 4.17 1329 902 C 263 GLU HGx A 66 LEU HDx% 1.0 . 4.14 1330 902 A 66 LEU HDy% C 263 GLU HGx 1.0 . 4.14 1331 903 A 66 LEU HDx% D 327 PRO HBy 1.0 . 4.85 1332 903 A 66 LEU HDy% D 327 PRO HBy 1.0 . 4.85 1333 903 D 327 PRO HBx A 66 LEU HDx% 1.0 . 4.85 1334 903 A 66 LEU HDy% D 327 PRO HBx 1.0 . 4.85 1335 904 A 66 LEU HDx% D 327 PRO HDy 1.0 . 4.85 1336 904 A 66 LEU HDy% D 327 PRO HDy 1.0 . 4.85 1337 904 D 327 PRO HDx A 66 LEU HDx% 1.0 . 4.85 1338 904 A 66 LEU HDy% D 327 PRO HDx 1.0 . 4.85 1339 905 A 66 LEU HDx% D 327 PRO HGx 1.0 . 5.11 1340 905 A 66 LEU HDy% D 327 PRO HGx 1.0 . 5.11 1341 905 D 327 PRO HGy A 66 LEU HDx% 1.0 . 5.11 1342 905 A 66 LEU HDy% D 327 PRO HGy 1.0 . 5.11 1343 906 D 329 PHE HE% A 66 LEU HDx% 1.0 . 3.61 1344 906 A 66 LEU HDy% D 329 PHE HE% 1.0 . 3.61 1345 907 A 67 ASN H A 66 LEU HDx% 1.0 . 4.24 1346 907 A 66 LEU HDy% A 67 ASN H 1.0 . 4.24 1347 908 A 67 ASN H A 67 ASN HBy 1.0 . 4.14 1348 909 A 67 ASN H A 67 ASN HBx 1.0 . 4.14 1349 910 A 67 ASN H A 67 ASN HBx 1.0 . 3.61 1350 910 A 67 ASN H A 67 ASN HBy 1.0 . 3.61 1351 911 A 68 LYS H A 67 ASN H 1.0 . 4.33 1352 912 A 67 ASN HA A 67 ASN HD2y 1.0 . 4.29 1353 913 A 67 ASN HA A 67 ASN HD2x 1.0 . 4.29 1354 914 A 68 LYS H A 67 ASN HBy 1.0 . 5.21 1355 915 A 68 LYS H A 67 ASN HBx 1.0 . 5.21 1356 916 A 68 LYS H A 67 ASN HBx 1.0 . 4.35 1357 916 A 68 LYS H A 67 ASN HBy 1.0 . 4.35 1358 917 A 67 ASN HBx A 68 LYS HBx 1.0 . 4.92 1359 917 A 67 ASN HBy A 68 LYS HBx 1.0 . 4.92 1360 917 A 68 LYS HBy A 67 ASN HBx 1.0 . 4.92 1361 917 A 67 ASN HBy A 68 LYS HBy 1.0 . 4.92 1362 918 A 68 LYS H A 68 LYS HBx 1.0 . 3.49 1363 918 A 68 LYS H A 68 LYS HBy 1.0 . 3.49 1364 919 A 68 LYS H A 68 LYS HGx 1.0 . 4.08 1365 919 A 68 LYS HGy A 68 LYS H 1.0 . 4.08 1366 920 A 68 LYS HA A 68 LYS HDx 1.0 . 3.92 1367 920 A 68 LYS HDy A 68 LYS HA 1.0 . 3.92 1368 921 A 68 LYS HA A 68 LYS HEx 1.0 . 5.50 1369 921 A 68 LYS HA A 68 LYS HEy 1.0 . 5.50 1370 922 A 68 LYS HA A 68 LYS HGx 1.0 . 4.09 1371 922 A 68 LYS HGy A 68 LYS HA 1.0 . 4.09 1372 923 A 68 LYS HBy A 68 LYS HEy 1.0 . 5.10 1373 923 A 68 LYS HBy A 68 LYS HEx 1.0 . 5.10 1374 924 A 68 LYS HEy A 68 LYS HBx 1.0 . 5.10 1375 924 A 68 LYS HBx A 68 LYS HEx 1.0 . 5.10 1376 925 A 68 LYS HBy A 68 LYS HEx 1.0 . 4.34 1377 925 A 68 LYS HEy A 68 LYS HBx 1.0 . 4.34 1378 925 A 68 LYS HBy A 68 LYS HEy 1.0 . 4.34 1379 925 A 68 LYS HBx A 68 LYS HEx 1.0 . 4.34 1380 926 A 68 LYS HDx A 68 LYS HGx 1.0 . 2.75 1381 926 A 68 LYS HDy A 68 LYS HGx 1.0 . 2.75 1382 926 A 68 LYS HGy A 68 LYS HDx 1.0 . 2.75 1383 926 A 68 LYS HDy A 68 LYS HGy 1.0 . 2.75 1384 927 A 68 LYS HEx A 68 LYS HGx 1.0 . 3.80 1385 927 A 68 LYS HEy A 68 LYS HGx 1.0 . 3.80 1386 927 A 68 LYS HGy A 68 LYS HEx 1.0 . 3.80 1387 927 A 68 LYS HGy A 68 LYS HEy 1.0 . 3.80 1388 928 B 102 GLU H B 102 GLU HBy 1.0 . 3.52 1389 929 B 102 GLU H B 102 GLU HBx 1.0 . 3.52 1390 930 B 102 GLU H B 102 GLU HBy 1.0 . 3.05 1391 930 B 102 GLU H B 102 GLU HBx 1.0 . 3.05 1392 931 B 102 GLU H B 102 GLU HGx 1.0 . 3.68 1393 931 B 102 GLU H B 102 GLU HGy 1.0 . 3.68 1394 932 B 102 GLU HGy B 102 GLU HBy 1.0 . 2.92 1395 932 B 102 GLU HBy B 102 GLU HGx 1.0 . 2.92 1396 933 B 102 GLU HBx B 102 GLU HGy 1.0 . 2.92 1397 933 B 102 GLU HBx B 102 GLU HGx 1.0 . 2.92 1398 934 B 102 GLU HBx B 102 GLU HGx 1.0 . 2.34 1399 934 B 102 GLU HBy B 102 GLU HGx 1.0 . 2.34 1400 934 B 102 GLU HGy B 102 GLU HBy 1.0 . 2.34 1401 934 B 102 GLU HBx B 102 GLU HGy 1.0 . 2.34 1402 935 B 104 ILE H B 103 GLY HAx 1.0 . 3.16 1403 935 B 103 GLY HAy B 104 ILE H 1.0 . 3.16 1404 936 B 104 ILE H B 104 ILE HB 1.0 . 3.40 1405 937 B 104 ILE H B 104 ILE HG1y 1.0 . 3.92 1406 937 B 104 ILE H B 104 ILE HG1x 1.0 . 3.92 1407 938 B 104 ILE H B 104 ILE HG2% 1.0 . 3.94 1408 939 B 104 ILE HA B 104 ILE HD1% 1.0 . 4.84 1409 940 B 104 ILE HD1% B 105 SER H 1.0 . 5.15 1410 941 B 104 ILE HG2% B 104 ILE HD1% 1.0 . 2.40 1411 942 B 106 ILE H B 105 SER HBy 1.0 . 4.29 1412 942 B 105 SER HBx B 106 ILE H 1.0 . 4.29 1413 943 B 106 ILE H B 106 ILE HB 1.0 . 3.51 1414 944 B 106 ILE H B 106 ILE HG1x 1.0 . 4.22 1415 944 B 106 ILE H B 106 ILE HG1y 1.0 . 4.22 1416 945 B 106 ILE H B 106 ILE HG2% 1.0 . 4.08 1417 946 B 106 ILE HA B 106 ILE HD1% 1.0 . 4.38 1418 947 B 106 ILE HA B 107 TYR H 1.0 . 2.86 1419 948 B 106 ILE HB B 106 ILE HD1% 1.0 . 4.24 1420 949 B 106 ILE HB B 107 TYR H 1.0 . 5.50 1421 950 B 106 ILE HB B 107 TYR HD% 1.0 . 5.50 1422 951 B 106 ILE HD1% B 107 TYR HD% 1.0 . 5.50 1423 952 B 106 ILE HD1% B 107 TYR HE% 1.0 . 5.50 1424 953 B 107 TYR H B 106 ILE HG1x 1.0 . 4.54 1425 953 B 106 ILE HG1y B 107 TYR H 1.0 . 4.54 1426 954 B 106 ILE HG1y B 106 ILE HG2% 1.0 . 3.89 1427 955 B 106 ILE HG2% B 106 ILE HG1x 1.0 . 3.89 1428 956 B 106 ILE HG2% B 106 ILE HD1% 1.0 . 2.40 1429 957 B 106 ILE HG2% B 107 TYR H 1.0 . 3.77 1430 958 B 107 TYR H B 107 TYR HBx 1.0 . 3.32 1431 959 B 107 TYR H B 107 TYR HBy 1.0 . 3.47 1432 960 B 107 TYR H B 107 TYR HD% 1.0 . 4.03 1433 961 B 107 TYR HD% B 107 TYR HA 1.0 . 2.88 1434 962 B 107 TYR HBx C 223 VAL HG11 1.0 . 3.41 1435 962 B 107 TYR HBx C 223 VAL HG21 1.0 . 3.41 1436 963 B 107 TYR HBy C 223 VAL HG11 1.0 . 2.98 1437 964 B 107 TYR HBy C 223 VAL HG21 1.0 . 2.98 1438 965 B 107 TYR HD% B 108 THR H 1.0 . 4.86 1439 966 B 107 TYR HD% C 223 VAL HG11 1.0 . 2.88 1440 967 B 107 TYR HD% C 223 VAL HG21 1.0 . 2.88 1441 968 B 107 TYR HE% C 223 VAL HG11 1.0 . 3.17 1442 969 B 107 TYR HE% C 223 VAL HG21 1.0 . 3.17 1443 970 B 107 TYR HE% C 223 VAL HG11 1.0 . 2.70 1444 970 B 107 TYR HE% C 223 VAL HG21 1.0 . 2.70 1445 971 B 108 THR H B 108 THR HG2% 1.0 . 5.50 1446 972 B 108 THR HB B 109 SER H 1.0 . 5.01 1447 973 B 111 ASN H B 110 ASP HBy 1.0 . 4.24 1448 973 B 110 ASP HBx B 111 ASN H 1.0 . 4.24 1449 974 B 112 TYR HD% B 112 TYR H 1.0 . 4.57 1450 975 B 112 TYR H B 113 THR H 1.0 . 4.30 1451 976 B 112 TYR HD% B 112 TYR HA 1.0 . 2.94 1452 977 B 112 TYR HBy B 113 THR H 1.0 . 3.93 1453 978 B 113 THR H B 112 TYR HBx 1.0 . 5.50 1454 979 B 112 TYR HBx B 114 GLU H 1.0 . 4.94 1455 980 B 112 TYR HD% B 113 THR H 1.0 . 4.36 1456 981 B 113 THR H B 113 THR HB 1.0 . 3.89 1457 982 B 113 THR H B 113 THR HG2% 1.0 . 3.81 1458 983 B 113 THR H B 114 GLU H 1.0 . 4.17 1459 984 B 114 GLU H B 113 THR HG2% 1.0 . 4.22 1460 985 B 113 THR HG2% B 115 GLU H 1.0 . 4.84 1461 986 B 114 GLU H B 114 GLU HBy 1.0 . 3.51 1462 987 B 114 GLU H B 114 GLU HBx 1.0 . 3.31 1463 988 B 114 GLU H B 114 GLU HGx 1.0 . 3.66 1464 988 B 114 GLU H B 114 GLU HGy 1.0 . 3.66 1465 989 B 114 GLU HA B 114 GLU HGx 1.0 . 4.25 1466 989 B 114 GLU HGy B 114 GLU HA 1.0 . 4.25 1467 990 B 114 GLU HBy B 114 GLU HGx 1.0 . 2.55 1468 990 B 114 GLU HBy B 114 GLU HGy 1.0 . 2.55 1469 991 B 114 GLU HBx B 114 GLU HGx 1.0 . 2.65 1470 991 B 114 GLU HBx B 114 GLU HGy 1.0 . 2.65 1471 992 B 115 GLU HA B 115 GLU HGx 1.0 . 4.21 1472 992 B 115 GLU HA B 115 GLU HGy 1.0 . 4.21 1473 993 B 115 GLU HA B 116 MET H 1.0 . 3.11 1474 994 B 115 GLU HBy B 115 GLU HGx 1.0 . 2.65 1475 994 B 115 GLU HGy B 115 GLU HBy 1.0 . 2.65 1476 995 B 115 GLU HBx B 115 GLU HGx 1.0 . 2.65 1477 995 B 115 GLU HGy B 115 GLU HBx 1.0 . 2.65 1478 996 B 116 MET H B 116 MET HBy 1.0 . 3.29 1479 996 B 116 MET H B 116 MET HBx 1.0 . 3.29 1480 997 B 116 MET H B 116 MET HGy 1.0 . 4.27 1481 997 B 116 MET H B 116 MET HGx 1.0 . 4.27 1482 998 B 117 GLY H B 116 MET HGy 1.0 . 4.89 1483 998 B 116 MET HGx B 117 GLY H 1.0 . 4.89 1484 999 B 120 ASP H B 120 ASP HBy 1.0 . 4.15 1485 1000 B 120 ASP H B 120 ASP HBx 1.0 . 4.15 1486 1001 B 120 ASP HBy B 121 TYR H 1.0 . 5.50 1487 1002 B 120 ASP HBx B 121 TYR H 1.0 . 5.50 1488 1003 B 121 TYR H B 121 TYR HBx 1.0 . 3.41 1489 1004 B 121 TYR HBy B 121 TYR H 1.0 . 3.53 1490 1005 B 121 TYR HD% B 121 TYR H 1.0 . 3.99 1491 1006 B 121 TYR H B 122 ASP H 1.0 . 3.63 1492 1007 B 121 TYR HD% B 121 TYR HA 1.0 . 3.22 1493 1008 B 121 TYR HBx B 122 ASP H 1.0 . 4.40 1494 1009 B 121 TYR HBy B 122 ASP H 1.0 . 4.21 1495 1010 B 121 TYR HD% B 122 ASP HBy 1.0 . 5.50 1496 1011 B 121 TYR HD% B 122 ASP HBx 1.0 . 5.50 1497 1012 B 121 TYR HE% B 122 ASP HBy 1.0 . 5.50 1498 1013 B 121 TYR HE% B 122 ASP HBx 1.0 . 5.50 1499 1014 B 123 SER H B 123 SER HBy 1.0 . 3.61 1500 1014 B 123 SER H B 123 SER HBx 1.0 . 3.61 1501 1015 B 124 MET H B 125 LYS HGx 1.0 . 4.93 1502 1015 B 124 MET H B 125 LYS HGy 1.0 . 4.93 1503 1016 B 124 MET HA B 125 LYS H 1.0 . 3.29 1504 1017 B 125 LYS H B 125 LYS HBy 1.0 . 3.85 1505 1018 B 125 LYS H B 125 LYS HBx 1.0 . 3.85 1506 1019 B 125 LYS H B 125 LYS HBx 1.0 . 3.19 1507 1019 B 125 LYS H B 125 LYS HBy 1.0 . 3.19 1508 1020 B 125 LYS H B 125 LYS HGx 1.0 . 3.99 1509 1020 B 125 LYS HGy B 125 LYS H 1.0 . 3.99 1510 1021 B 125 LYS HA B 125 LYS HDx 1.0 . 5.06 1511 1021 B 125 LYS HA B 125 LYS HDy 1.0 . 5.06 1512 1022 B 125 LYS HA B 125 LYS HEx 1.0 . 5.50 1513 1022 B 125 LYS HA B 125 LYS HEy 1.0 . 5.50 1514 1023 B 125 LYS HA B 126 GLU H 1.0 . 2.75 1515 1024 B 125 LYS HBy B 125 LYS HDy 1.0 . 2.89 1516 1024 B 125 LYS HBy B 125 LYS HDx 1.0 . 2.89 1517 1025 B 125 LYS HBy B 126 GLU H 1.0 . 5.50 1518 1026 B 125 LYS HDy B 125 LYS HBx 1.0 . 2.89 1519 1026 B 125 LYS HBx B 125 LYS HDx 1.0 . 2.89 1520 1027 B 126 GLU H B 125 LYS HBx 1.0 . 5.50 1521 1028 B 125 LYS HBy B 125 LYS HDx 1.0 . 2.51 1522 1028 B 125 LYS HBx B 125 LYS HDx 1.0 . 2.51 1523 1028 B 125 LYS HDy B 125 LYS HBx 1.0 . 2.51 1524 1028 B 125 LYS HBy B 125 LYS HDy 1.0 . 2.51 1525 1029 B 125 LYS HBy B 125 LYS HEx 1.0 . 4.43 1526 1029 B 125 LYS HBx B 125 LYS HEx 1.0 . 4.43 1527 1029 B 125 LYS HEy B 125 LYS HBx 1.0 . 4.43 1528 1029 B 125 LYS HBy B 125 LYS HEy 1.0 . 4.43 1529 1030 B 126 GLU H B 125 LYS HGx 1.0 . 4.63 1530 1030 B 125 LYS HGy B 126 GLU H 1.0 . 4.63 1531 1031 B 126 GLU H B 127 PRO HDy 1.0 . 4.53 1532 1032 B 126 GLU H B 127 PRO HDx 1.0 . 4.53 1533 1033 B 126 GLU H B 127 PRO HDx 1.0 . 3.97 1534 1033 B 126 GLU H B 127 PRO HDy 1.0 . 3.97 1535 1034 B 127 PRO HA B 128 ALA H 1.0 . 2.80 1536 1035 B 128 ALA H B 127 PRO HBx 1.0 . 3.77 1537 1035 B 127 PRO HBy B 128 ALA H 1.0 . 3.77 1538 1036 B 129 PHE H B 127 PRO HBx 1.0 . 5.34 1539 1036 B 127 PRO HBy B 129 PHE H 1.0 . 5.34 1540 1037 B 127 PRO HBx C 266 LEU HBy 1.0 . 5.18 1541 1037 B 127 PRO HBy C 266 LEU HBy 1.0 . 5.18 1542 1037 C 266 LEU HBx B 127 PRO HBx 1.0 . 5.18 1543 1037 B 127 PRO HBy C 266 LEU HBx 1.0 . 5.18 1544 1038 B 127 PRO HBy C 266 LEU HD11 1.0 . 4.85 1545 1038 B 127 PRO HBx C 266 LEU HD11 1.0 . 4.85 1546 1038 C 266 LEU HD21 B 127 PRO HBx 1.0 . 4.85 1547 1038 C 266 LEU HD21 B 127 PRO HBy 1.0 . 4.85 1548 1039 B 127 PRO HDy C 266 LEU HD11 1.0 . 4.85 1549 1039 B 127 PRO HDx C 266 LEU HD11 1.0 . 4.85 1550 1039 C 266 LEU HD21 B 127 PRO HDx 1.0 . 4.85 1551 1039 C 266 LEU HD21 B 127 PRO HDy 1.0 . 4.85 1552 1040 B 128 ALA H B 127 PRO HGx 1.0 . 4.17 1553 1040 B 128 ALA H B 127 PRO HGy 1.0 . 4.17 1554 1041 B 127 PRO HGy C 266 LEU HD11 1.0 . 5.11 1555 1041 B 127 PRO HGx C 266 LEU HD11 1.0 . 5.11 1556 1041 C 266 LEU HD21 B 127 PRO HGx 1.0 . 5.11 1557 1041 C 266 LEU HD21 B 127 PRO HGy 1.0 . 5.11 1558 1042 B 128 ALA H B 128 ALA HB% 1.0 . 3.04 1559 1043 B 129 PHE H B 128 ALA HA 1.0 . 2.92 1560 1044 B 129 PHE H B 128 ALA HB% 1.0 . 3.62 1561 1045 B 129 PHE HA B 129 PHE HD% 1.0 . 3.44 1562 1046 B 129 PHE HBy B 130 ARG H 1.0 . 5.50 1563 1047 B 130 ARG H B 129 PHE HBx 1.0 . 5.50 1564 1048 B 129 PHE HD% B 130 ARG H 1.0 . 4.86 1565 1049 B 129 PHE HE% C 266 LEU HD11 1.0 . 3.61 1566 1049 C 266 LEU HD21 B 129 PHE HE% 1.0 . 3.61 1567 1050 B 130 ARG H B 130 ARG HBy 1.0 . 3.56 1568 1050 B 130 ARG H B 130 ARG HBx 1.0 . 3.56 1569 1051 B 130 ARG H B 130 ARG HGx 1.0 . 4.05 1570 1051 B 130 ARG H B 130 ARG HGy 1.0 . 4.05 1571 1052 B 130 ARG HA B 130 ARG HDx 1.0 . 5.50 1572 1052 B 130 ARG HA B 130 ARG HDy 1.0 . 5.50 1573 1053 B 130 ARG HA B 131 GLU H 1.0 . 3.18 1574 1054 B 131 GLU H B 130 ARG HBy 1.0 . 4.48 1575 1054 B 130 ARG HBx B 131 GLU H 1.0 . 4.48 1576 1055 B 131 GLU H B 130 ARG HDx 1.0 . 5.14 1577 1055 B 130 ARG HDy B 131 GLU H 1.0 . 5.14 1578 1056 B 131 GLU H B 130 ARG HGx 1.0 . 4.73 1579 1056 B 130 ARG HGy B 131 GLU H 1.0 . 4.73 1580 1057 B 131 GLU H B 131 GLU HBy 1.0 . 4.18 1581 1058 B 131 GLU H B 131 GLU HBx 1.0 . 4.18 1582 1059 B 131 GLU H B 131 GLU HBy 1.0 . 3.54 1583 1059 B 131 GLU H B 131 GLU HBx 1.0 . 3.54 1584 1060 B 131 GLU H B 131 GLU HGx 1.0 . 4.46 1585 1060 B 131 GLU H B 131 GLU HGy 1.0 . 4.46 1586 1061 B 131 GLU HA B 131 GLU HGx 1.0 . 4.18 1587 1061 B 131 GLU HGy B 131 GLU HA 1.0 . 4.18 1588 1062 B 131 GLU HA B 132 GLU H 1.0 . 3.08 1589 1063 B 131 GLU HGy B 131 GLU HBy 1.0 . 2.88 1590 1063 B 131 GLU HBy B 131 GLU HGx 1.0 . 2.88 1591 1064 B 132 GLU H B 131 GLU HBy 1.0 . 3.81 1592 1065 B 131 GLU HBx B 131 GLU HGy 1.0 . 2.88 1593 1065 B 131 GLU HBx B 131 GLU HGx 1.0 . 2.88 1594 1066 B 131 GLU HBx B 132 GLU H 1.0 . 3.81 1595 1067 B 131 GLU HBx B 131 GLU HGx 1.0 . 2.30 1596 1067 B 131 GLU HBy B 131 GLU HGx 1.0 . 2.30 1597 1067 B 131 GLU HGy B 131 GLU HBy 1.0 . 2.30 1598 1067 B 131 GLU HBx B 131 GLU HGy 1.0 . 2.30 1599 1068 B 132 GLU H B 131 GLU HBy 1.0 . 3.31 1600 1068 B 131 GLU HBx B 132 GLU H 1.0 . 3.31 1601 1069 B 132 GLU H B 131 GLU HGx 1.0 . 4.29 1602 1069 B 131 GLU HGy B 132 GLU H 1.0 . 4.29 1603 1070 B 132 GLU HA B 132 GLU HGx 1.0 . 4.11 1604 1070 B 132 GLU HA B 132 GLU HGy 1.0 . 4.11 1605 1071 B 132 GLU HGy B 132 GLU HBy 1.0 . 2.82 1606 1071 B 132 GLU HBy B 132 GLU HGx 1.0 . 2.82 1607 1072 B 132 GLU HGy B 132 GLU HBx 1.0 . 2.82 1608 1072 B 132 GLU HBx B 132 GLU HGx 1.0 . 2.82 1609 1073 B 132 GLU HBx B 132 GLU HGx 1.0 . 2.31 1610 1073 B 132 GLU HBy B 132 GLU HGx 1.0 . 2.31 1611 1073 B 132 GLU HGy B 132 GLU HBy 1.0 . 2.31 1612 1073 B 132 GLU HGy B 132 GLU HBx 1.0 . 2.31 1613 1074 B 136 PHE H B 136 PHE HD% 1.0 . 5.03 1614 1075 B 136 PHE HD% B 136 PHE HA 1.0 . 3.64 1615 1076 B 138 LYS HA B 138 LYS HDx 1.0 . 5.32 1616 1076 B 138 LYS HA B 138 LYS HDy 1.0 . 5.32 1617 1077 B 138 LYS HA B 138 LYS HEx 1.0 . 5.50 1618 1077 B 138 LYS HA B 138 LYS HEy 1.0 . 5.50 1619 1078 B 138 LYS HDy B 138 LYS HBy 1.0 . 2.57 1620 1078 B 138 LYS HBy B 138 LYS HDx 1.0 . 2.57 1621 1079 B 138 LYS HEy B 138 LYS HBy 1.0 . 5.50 1622 1079 B 138 LYS HBy B 138 LYS HEx 1.0 . 5.50 1623 1080 B 138 LYS HDy B 138 LYS HBx 1.0 . 2.57 1624 1080 B 138 LYS HBx B 138 LYS HDx 1.0 . 2.57 1625 1081 B 138 LYS HEy B 138 LYS HBx 1.0 . 5.50 1626 1081 B 138 LYS HBx B 138 LYS HEx 1.0 . 5.50 1627 1082 B 138 LYS HBy B 138 LYS HEx 1.0 . 4.70 1628 1082 B 138 LYS HBx B 138 LYS HEx 1.0 . 4.70 1629 1082 B 138 LYS HEy B 138 LYS HBx 1.0 . 4.70 1630 1082 B 138 LYS HEy B 138 LYS HBy 1.0 . 4.70 1631 1083 C 205 LEU HA C 205 LEU HD11 1.0 . 3.45 1632 1083 C 205 LEU HA C 205 LEU HD21 1.0 . 3.45 1633 1084 C 206 SER HA C 207 TYR HD% 1.0 . 4.18 1634 1085 C 207 TYR HD% C 206 SER HBx 1.0 . 4.22 1635 1085 C 207 TYR HD% C 206 SER HBy 1.0 . 4.22 1636 1086 C 207 TYR HD% C 207 TYR HA 1.0 . 3.50 1637 1087 C 208 ARG HA C 208 ARG HDx 1.0 . 4.09 1638 1087 C 208 ARG HA C 208 ARG HDy 1.0 . 4.09 1639 1088 C 208 ARG HA C 208 ARG HGx 1.0 . 3.72 1640 1088 C 208 ARG HA C 208 ARG HGy 1.0 . 3.72 1641 1089 C 208 ARG HBx C 208 ARG HDx 1.0 . 3.33 1642 1089 C 208 ARG HDy C 208 ARG HBx 1.0 . 3.33 1643 1090 C 208 ARG HBy C 208 ARG HDx 1.0 . 3.33 1644 1090 C 208 ARG HDy C 208 ARG HBy 1.0 . 3.33 1645 1091 C 209 CYS CB C 234 CYS CB 1.0 . 3.99 1646 1092 C 209 CYS CB C 234 CYS SG 1.0 . 3.10 1647 1093 C 209 CYS HA C 210 PRO HDx 1.0 . 3.73 1648 1093 C 209 CYS HA C 210 PRO HDy 1.0 . 3.73 1649 1094 C 210 PRO HDy C 209 CYS HBx 1.0 . 4.75 1650 1094 C 209 CYS HBx C 210 PRO HDx 1.0 . 4.75 1651 1095 C 210 PRO HDy C 209 CYS HBy 1.0 . 4.75 1652 1095 C 209 CYS HBy C 210 PRO HDx 1.0 . 4.75 1653 1096 C 209 CYS HBy C 210 PRO HDx 1.0 . 4.07 1654 1096 C 209 CYS HBx C 210 PRO HDx 1.0 . 4.07 1655 1096 C 210 PRO HDy C 209 CYS HBy 1.0 . 4.07 1656 1096 C 210 PRO HDy C 209 CYS HBx 1.0 . 4.07 1657 1097 C 234 CYS CB C 209 CYS SG 1.0 . 3.10 1658 1098 C 234 CYS SG C 209 CYS SG 1.0 . 2.10 1659 1099 C 210 PRO HA D 312 TYR HE% 1.0 . 3.70 1660 1100 C 210 PRO HBx C 229 LEU HD11 1.0 . 4.49 1661 1101 C 229 LEU HD21 C 210 PRO HBx 1.0 . 4.49 1662 1102 C 210 PRO HBx C 231 THR HG21 1.0 . 5.33 1663 1103 C 210 PRO HBx D 312 TYR HD% 1.0 . 3.27 1664 1104 D 312 TYR HE% C 210 PRO HBx 1.0 . 3.12 1665 1105 C 210 PRO HBy C 211 CYS H 1.0 . 4.45 1666 1106 C 210 PRO HBy C 229 LEU HD11 1.0 . 4.05 1667 1106 C 229 LEU HD21 C 210 PRO HBy 1.0 . 4.05 1668 1107 D 312 TYR HD% C 210 PRO HBy 1.0 . 3.23 1669 1108 D 312 TYR HE% C 210 PRO HBy 1.0 . 3.07 1670 1109 C 211 CYS H C 210 PRO HDx 1.0 . 4.58 1671 1109 C 210 PRO HDy C 211 CYS H 1.0 . 4.58 1672 1110 C 210 PRO HDx C 229 LEU HD11 1.0 . 4.23 1673 1110 C 210 PRO HDy C 229 LEU HD11 1.0 . 4.23 1674 1110 C 229 LEU HD21 C 210 PRO HDx 1.0 . 4.23 1675 1110 C 229 LEU HD21 C 210 PRO HDy 1.0 . 4.23 1676 1111 C 231 THR HG21 C 210 PRO HDx 1.0 . 4.21 1677 1111 C 210 PRO HDy C 231 THR HG21 1.0 . 4.21 1678 1112 D 312 TYR HE% C 210 PRO HDx 1.0 . 5.41 1679 1112 C 210 PRO HDy D 312 TYR HE% 1.0 . 5.41 1680 1113 C 210 PRO HGx C 229 LEU HD11 1.0 . 3.94 1681 1113 C 210 PRO HGy C 229 LEU HD11 1.0 . 3.94 1682 1113 C 229 LEU HD21 C 210 PRO HGx 1.0 . 3.94 1683 1113 C 229 LEU HD21 C 210 PRO HGy 1.0 . 3.94 1684 1114 C 231 THR HG21 C 210 PRO HGx 1.0 . 4.20 1685 1114 C 231 THR HG21 C 210 PRO HGy 1.0 . 4.20 1686 1115 D 312 TYR HD% C 210 PRO HGx 1.0 . 5.50 1687 1115 D 312 TYR HD% C 210 PRO HGy 1.0 . 5.50 1688 1116 D 312 TYR HE% C 210 PRO HGx 1.0 . 3.23 1689 1116 D 312 TYR HE% C 210 PRO HGy 1.0 . 3.23 1690 1117 C 211 CYS CB C 250 CYS CB 1.0 . 3.99 1691 1118 C 211 CYS CB C 250 CYS SG 1.0 . 3.10 1692 1119 C 250 CYS CB C 211 CYS SG 1.0 . 3.10 1693 1120 C 250 CYS SG C 211 CYS SG 1.0 . 2.10 1694 1121 C 212 ARG HA C 212 ARG HGx 1.0 . 3.97 1695 1122 C 212 ARG HA C 212 ARG HGy 1.0 . 3.97 1696 1123 C 212 ARG HA C 212 ARG HDx 1.0 . 4.43 1697 1123 C 212 ARG HA C 212 ARG HDy 1.0 . 4.43 1698 1124 C 212 ARG HBx C 212 ARG HDx 1.0 . 3.43 1699 1124 C 212 ARG HBy C 212 ARG HDx 1.0 . 3.43 1700 1124 C 212 ARG HDy C 212 ARG HBx 1.0 . 3.43 1701 1124 C 212 ARG HDy C 212 ARG HBy 1.0 . 3.43 1702 1125 C 213 PHE HD% C 212 ARG HBx 1.0 . 3.91 1703 1125 C 212 ARG HBy C 213 PHE HD% 1.0 . 3.91 1704 1126 C 213 PHE HE% C 212 ARG HBx 1.0 . 4.41 1705 1126 C 212 ARG HBy C 213 PHE HE% 1.0 . 4.41 1706 1127 C 213 PHE HE% C 212 ARG HDx 1.0 . 3.96 1707 1127 C 212 ARG HDy C 213 PHE HE% 1.0 . 3.96 1708 1128 C 213 PHE HD% C 212 ARG HGy 1.0 . 4.05 1709 1128 C 213 PHE HD% C 212 ARG HGx 1.0 . 4.05 1710 1129 C 213 PHE HD% C 213 PHE H 1.0 . 5.34 1711 1130 C 213 PHE HE% C 213 PHE H 1.0 . 5.50 1712 1131 C 213 PHE H C 214 PHE H 1.0 . 5.41 1713 1132 C 214 PHE H C 213 PHE HA 1.0 . 3.44 1714 1133 C 213 PHE HA C 214 PHE HD% 1.0 . 4.16 1715 1134 C 214 PHE H C 213 PHE HBx 1.0 . 4.02 1716 1134 C 214 PHE H C 213 PHE HBy 1.0 . 4.02 1717 1135 C 213 PHE HD% C 214 PHE H 1.0 . 4.25 1718 1136 C 214 PHE H C 214 PHE HBy 1.0 . 3.89 1719 1137 C 214 PHE H C 214 PHE HD% 1.0 . 4.22 1720 1138 C 214 PHE H D 319 GLY HAx 1.0 . 5.50 1721 1138 C 214 PHE H D 319 GLY HAy 1.0 . 5.50 1722 1139 C 214 PHE HD% C 214 PHE HA 1.0 . 3.83 1723 1140 C 214 PHE HBx C 215 GLU H 1.0 . 4.54 1724 1141 C 214 PHE HBx C 250 CYS HBx 1.0 . 5.50 1725 1142 C 214 PHE HBx C 252 ASP H 1.0 . 4.61 1726 1143 C 214 PHE HBx C 252 ASP HA 1.0 . 5.13 1727 1144 C 214 PHE HBy C 215 GLU H 1.0 . 4.63 1728 1145 C 214 PHE HBy C 252 ASP HA 1.0 . 5.31 1729 1146 C 214 PHE HD% C 215 GLU H 1.0 . 5.27 1730 1147 C 214 PHE HD% C 216 SER HBx 1.0 . 4.27 1731 1147 C 214 PHE HD% C 216 SER HBy 1.0 . 4.27 1732 1148 C 214 PHE HD% C 250 CYS HBy 1.0 . 5.50 1733 1149 C 214 PHE HD% C 251 ILE HA 1.0 . 4.49 1734 1150 C 214 PHE HD% C 252 ASP H 1.0 . 5.50 1735 1151 C 214 PHE HD% C 252 ASP HBy 1.0 . 4.08 1736 1151 C 214 PHE HD% C 252 ASP HBx 1.0 . 4.08 1737 1152 C 214 PHE HD% C 253 PRO HDx 1.0 . 4.57 1738 1152 C 214 PHE HD% C 253 PRO HDy 1.0 . 4.57 1739 1153 C 214 PHE HE% C 216 SER HA 1.0 . 4.42 1740 1154 C 215 GLU H C 215 GLU HBx 1.0 . 4.18 1741 1155 C 215 GLU H C 215 GLU HGx 1.0 . 4.75 1742 1156 C 215 GLU H C 215 GLU HGy 1.0 . 4.75 1743 1157 C 215 GLU H C 218 VAL HG11 1.0 . 4.61 1744 1157 C 215 GLU H C 218 VAL HG21 1.0 . 4.61 1745 1158 C 215 GLU H C 251 ILE HA 1.0 . 4.41 1746 1159 C 215 GLU H C 251 ILE HD11 1.0 . 5.07 1747 1160 C 215 GLU H C 252 ASP H 1.0 . 5.03 1748 1161 C 215 GLU HBx C 218 VAL HG11 1.0 . 3.99 1749 1161 C 215 GLU HBx C 218 VAL HG21 1.0 . 3.99 1750 1162 C 215 GLU HBy C 218 VAL HG11 1.0 . 3.29 1751 1162 C 218 VAL HG21 C 215 GLU HBy 1.0 . 3.29 1752 1163 C 215 GLU HBy C 251 ILE HG21 1.0 . 4.83 1753 1164 C 215 GLU HGx C 218 VAL HG11 1.0 . 3.71 1754 1164 C 215 GLU HGx C 218 VAL HG21 1.0 . 3.71 1755 1165 C 215 GLU HGy C 218 VAL HG11 1.0 . 3.71 1756 1165 C 215 GLU HGy C 218 VAL HG21 1.0 . 3.71 1757 1166 C 252 ASP H C 216 SER HA 1.0 . 5.21 1758 1167 C 252 ASP HBx C 216 SER HA 1.0 . 5.50 1759 1168 C 216 SER HA C 252 ASP HBy 1.0 . 5.50 1760 1169 C 216 SER HA C 252 ASP HBy 1.0 . 4.84 1761 1169 C 252 ASP HBx C 216 SER HA 1.0 . 4.84 1762 1170 C 216 SER HA C 255 LEU HD11 1.0 . 4.73 1763 1171 C 216 SER HA C 255 LEU HD21 1.0 . 4.53 1764 1172 C 217 HIS HD2 C 216 SER HBx 1.0 . 4.05 1765 1172 C 216 SER HBy C 217 HIS HD2 1.0 . 4.05 1766 1173 C 252 ASP H C 216 SER HBx 1.0 . 5.27 1767 1173 C 252 ASP H C 216 SER HBy 1.0 . 5.27 1768 1174 C 216 SER HBy C 252 ASP HBy 1.0 . 4.72 1769 1174 C 216 SER HBx C 252 ASP HBy 1.0 . 4.72 1770 1174 C 252 ASP HBx C 216 SER HBx 1.0 . 4.72 1771 1174 C 216 SER HBy C 252 ASP HBx 1.0 . 4.72 1772 1175 C 255 LEU HD21 C 216 SER HBx 1.0 . 4.14 1773 1175 C 216 SER HBy C 255 LEU HD21 1.0 . 4.14 1774 1176 C 217 HIS HD2 C 217 HIS HA 1.0 . 4.20 1775 1177 C 255 LEU HD21 C 217 HIS HD2 1.0 . 4.46 1776 1178 C 217 HIS HD2 C 217 HIS HBx 1.0 . 3.37 1777 1178 C 217 HIS HD2 C 217 HIS HBy 1.0 . 3.37 1778 1179 C 218 VAL H C 217 HIS HBx 1.0 . 4.74 1779 1179 C 217 HIS HBy C 218 VAL H 1.0 . 4.74 1780 1180 C 218 VAL H C 218 VAL HB 1.0 . 3.69 1781 1181 C 218 VAL H C 218 VAL HG11 1.0 . 3.61 1782 1181 C 218 VAL HG21 C 218 VAL H 1.0 . 3.61 1783 1182 C 218 VAL H D 321 TYR HBy 1.0 . 5.50 1784 1183 C 218 VAL HA C 218 VAL HG11 1.0 . 3.41 1785 1183 C 218 VAL HG21 C 218 VAL HA 1.0 . 3.41 1786 1184 C 218 VAL HA C 219 ALA HB1 1.0 . 5.11 1787 1185 C 251 ILE HG21 C 218 VAL HB 1.0 . 3.63 1788 1186 C 255 LEU HD11 C 218 VAL HB 1.0 . 4.39 1789 1187 C 218 VAL HB C 257 TRP HZ2 1.0 . 4.91 1790 1188 C 218 VAL HB D 321 TYR HBy 1.0 . 5.50 1791 1189 C 218 VAL HB D 321 TYR HD% 1.0 . 5.50 1792 1190 C 219 ALA H C 218 VAL HG11 1.0 . 4.18 1793 1190 C 218 VAL HG21 C 219 ALA H 1.0 . 4.18 1794 1191 C 222 ASN HBx C 218 VAL HG11 1.0 . 4.75 1795 1191 C 218 VAL HG21 C 222 ASN HBx 1.0 . 4.75 1796 1192 C 222 ASN HBy C 218 VAL HG11 1.0 . 4.16 1797 1192 C 218 VAL HG21 C 222 ASN HBy 1.0 . 4.16 1798 1193 C 218 VAL HG21 C 222 ASN HD2y 1.0 . 4.71 1799 1193 C 222 ASN HD2x C 218 VAL HG11 1.0 . 4.71 1800 1193 C 218 VAL HG21 C 222 ASN HD2x 1.0 . 4.71 1801 1193 C 218 VAL HG11 C 222 ASN HD2y 1.0 . 4.71 1802 1194 C 223 VAL H C 218 VAL HG11 1.0 . 5.50 1803 1194 C 218 VAL HG21 C 223 VAL H 1.0 . 5.50 1804 1195 C 252 ASP H C 218 VAL HG11 1.0 . 5.18 1805 1195 C 252 ASP H C 218 VAL HG21 1.0 . 5.18 1806 1196 C 257 TRP HE1 C 218 VAL HG11 1.0 . 4.88 1807 1196 C 218 VAL HG21 C 257 TRP HE1 1.0 . 4.88 1808 1197 C 257 TRP HH2 C 218 VAL HG11 1.0 . 3.79 1809 1197 C 218 VAL HG21 C 257 TRP HH2 1.0 . 3.79 1810 1198 C 257 TRP HZ2 C 218 VAL HG11 1.0 . 3.15 1811 1198 C 218 VAL HG21 C 257 TRP HZ2 1.0 . 3.15 1812 1199 D 321 TYR HBy C 218 VAL HG11 1.0 . 5.50 1813 1199 C 218 VAL HG21 D 321 TYR HBy 1.0 . 5.50 1814 1200 D 321 TYR HD% C 218 VAL HG11 1.0 . 3.10 1815 1200 C 218 VAL HG21 D 321 TYR HD% 1.0 . 3.10 1816 1201 D 321 TYR HE% C 218 VAL HG11 1.0 . 3.52 1817 1201 C 218 VAL HG21 D 321 TYR HE% 1.0 . 3.52 1818 1202 C 219 ALA HB1 C 219 ALA H 1.0 . 3.89 1819 1203 C 219 ALA H C 222 ASN HBx 1.0 . 5.05 1820 1204 C 219 ALA H C 222 ASN HBy 1.0 . 5.48 1821 1205 C 219 ALA H C 222 ASN HD2y 1.0 . 5.06 1822 1205 C 219 ALA H C 222 ASN HD2x 1.0 . 5.06 1823 1206 C 219 ALA H C 223 VAL HG11 1.0 . 5.44 1824 1206 C 223 VAL HG21 C 219 ALA H 1.0 . 5.44 1825 1207 C 219 ALA H C 249 VAL HG21 1.0 . 5.07 1826 1208 C 257 TRP HE1 C 219 ALA HA 1.0 . 4.84 1827 1209 C 219 ALA HB1 C 220 ARG H 1.0 . 4.26 1828 1210 C 219 ALA HB1 C 221 ALA H 1.0 . 4.31 1829 1211 C 219 ALA HB1 C 222 ASN HBx 1.0 . 4.40 1830 1212 C 219 ALA HB1 C 222 ASN HBy 1.0 . 4.24 1831 1213 C 219 ALA HB1 C 223 VAL HG11 1.0 . 4.61 1832 1213 C 223 VAL HG21 C 219 ALA HB1 1.0 . 4.61 1833 1214 C 220 ARG HA C 220 ARG HDx 1.0 . 5.04 1834 1214 C 220 ARG HA C 220 ARG HDy 1.0 . 5.04 1835 1215 C 223 VAL H C 220 ARG HA 1.0 . 5.02 1836 1216 C 220 ARG HA C 223 VAL HG11 1.0 . 5.35 1837 1217 C 223 VAL HG21 C 220 ARG HA 1.0 . 5.35 1838 1218 C 220 ARG HA C 223 VAL HG11 1.0 . 4.55 1839 1218 C 223 VAL HG21 C 220 ARG HA 1.0 . 4.55 1840 1219 C 257 TRP HH2 C 220 ARG HA 1.0 . 4.64 1841 1220 C 257 TRP HZ2 C 220 ARG HA 1.0 . 4.33 1842 1221 C 221 ALA H C 220 ARG HBx 1.0 . 5.50 1843 1222 C 221 ALA H C 220 ARG HBy 1.0 . 5.50 1844 1223 C 257 TRP HH2 C 220 ARG HBx 1.0 . 4.30 1845 1223 C 257 TRP HH2 C 220 ARG HBy 1.0 . 4.30 1846 1224 C 223 VAL H C 220 ARG HDx 1.0 . 5.50 1847 1224 C 223 VAL H C 220 ARG HDy 1.0 . 5.50 1848 1225 C 257 TRP HBx C 220 ARG HDx 1.0 . 5.13 1849 1225 C 220 ARG HDy C 257 TRP HBx 1.0 . 5.13 1850 1226 C 257 TRP HBy C 220 ARG HDx 1.0 . 5.14 1851 1226 C 220 ARG HDy C 257 TRP HBy 1.0 . 5.14 1852 1227 C 261 TYR HE% C 220 ARG HDx 1.0 . 5.50 1853 1227 C 261 TYR HE% C 220 ARG HDy 1.0 . 5.50 1854 1228 C 257 TRP HE3 C 220 ARG HGx 1.0 . 5.34 1855 1228 C 220 ARG HGy C 257 TRP HE3 1.0 . 5.34 1856 1229 C 261 TYR HE% C 220 ARG HGx 1.0 . 5.34 1857 1229 C 261 TYR HE% C 220 ARG HGy 1.0 . 5.34 1858 1230 C 221 ALA H C 221 ALA HB1 1.0 . 3.47 1859 1231 C 221 ALA H C 222 ASN H 1.0 . 4.30 1860 1232 C 223 VAL H C 221 ALA HA 1.0 . 4.95 1861 1233 C 221 ALA HB1 C 222 ASN H 1.0 . 3.77 1862 1234 C 221 ALA HB1 C 222 ASN HA 1.0 . 5.12 1863 1235 C 223 VAL H C 221 ALA HB1 1.0 . 5.44 1864 1236 C 222 ASN HBx C 222 ASN H 1.0 . 3.96 1865 1237 C 222 ASN HBy C 222 ASN H 1.0 . 3.85 1866 1238 C 223 VAL H C 222 ASN H 1.0 . 3.65 1867 1239 C 222 ASN HA C 243 LYS HDy 1.0 . 4.06 1868 1240 C 222 ASN HA C 243 LYS HGx 1.0 . 5.08 1869 1241 C 222 ASN HA C 243 LYS HGy 1.0 . 5.17 1870 1242 C 222 ASN HA C 243 LYS HBy 1.0 . 4.55 1871 1242 C 222 ASN HA C 243 LYS HBx 1.0 . 4.55 1872 1243 C 222 ASN HBx C 223 VAL H 1.0 . 5.06 1873 1244 C 222 ASN HBx C 223 VAL HG11 1.0 . 5.32 1874 1244 C 223 VAL HG21 C 222 ASN HBx 1.0 . 5.32 1875 1245 C 222 ASN HBx C 242 LEU HD11 1.0 . 4.65 1876 1245 C 222 ASN HBx C 242 LEU HD21 1.0 . 4.65 1877 1246 C 222 ASN HBx C 243 LYS HDy 1.0 . 5.33 1878 1247 C 222 ASN HBy C 223 VAL H 1.0 . 4.94 1879 1248 C 222 ASN HBy C 242 LEU HD11 1.0 . 4.73 1880 1248 C 222 ASN HBy C 242 LEU HD21 1.0 . 4.73 1881 1249 C 242 LEU HBx C 222 ASN HD2y 1.0 . 5.17 1882 1249 C 222 ASN HD2x C 242 LEU HBx 1.0 . 5.17 1883 1250 C 222 ASN HD2x C 242 LEU HD11 1.0 . 4.85 1884 1250 C 242 LEU HD21 C 222 ASN HD2y 1.0 . 4.85 1885 1250 C 222 ASN HD2x C 242 LEU HD21 1.0 . 4.85 1886 1250 C 222 ASN HD2y C 242 LEU HD11 1.0 . 4.85 1887 1251 C 223 VAL HA C 223 VAL HG11 1.0 . 3.85 1888 1252 C 223 VAL HG21 C 223 VAL HA 1.0 . 3.85 1889 1253 C 240 ALA HA C 223 VAL HG11 1.0 . 5.13 1890 1253 C 223 VAL HG21 C 240 ALA HA 1.0 . 5.13 1891 1254 C 241 ARG H C 223 VAL HG11 1.0 . 4.35 1892 1254 C 223 VAL HG21 C 241 ARG H 1.0 . 4.35 1893 1255 C 242 LEU H C 223 VAL HG11 1.0 . 4.83 1894 1255 C 223 VAL HG21 C 242 LEU H 1.0 . 4.83 1895 1256 C 257 TRP HH2 C 223 VAL HG11 1.0 . 3.41 1896 1256 C 223 VAL HG21 C 257 TRP HH2 1.0 . 3.41 1897 1257 C 224 LYS H C 224 LYS HGx 1.0 . 4.81 1898 1258 C 224 LYS H C 224 LYS HGy 1.0 . 4.81 1899 1259 C 224 LYS H C 224 LYS HDx 1.0 . 4.52 1900 1259 C 224 LYS H C 224 LYS HDy 1.0 . 4.52 1901 1260 C 224 LYS H C 224 LYS HGx 1.0 . 3.96 1902 1260 C 224 LYS H C 224 LYS HGy 1.0 . 3.96 1903 1261 C 224 LYS H C 225 HIS H 1.0 . 3.93 1904 1262 C 241 ARG H C 224 LYS H 1.0 . 5.42 1905 1263 C 224 LYS H C 241 ARG O 1.0 . 2.00 1906 1264 C 224 LYS H C 243 LYS HDx 1.0 . 5.50 1907 1265 C 243 LYS HGy C 224 LYS H 1.0 . 5.50 1908 1266 C 224 LYS HA C 224 LYS HDx 1.0 . 4.62 1909 1266 C 224 LYS HDy C 224 LYS HA 1.0 . 4.62 1910 1267 C 224 LYS HA C 224 LYS HGx 1.0 . 3.71 1911 1267 C 224 LYS HGy C 224 LYS HA 1.0 . 3.71 1912 1268 C 243 LYS HDx C 224 LYS HA 1.0 . 4.87 1913 1269 C 243 LYS HDy C 224 LYS HA 1.0 . 5.20 1914 1270 C 243 LYS HGx C 224 LYS HA 1.0 . 4.96 1915 1271 C 243 LYS HGy C 224 LYS HA 1.0 . 5.02 1916 1272 C 224 LYS HEy C 224 LYS HBx 1.0 . 3.52 1917 1272 C 224 LYS HBx C 224 LYS HEx 1.0 . 3.52 1918 1273 C 225 HIS H C 224 LYS HBx 1.0 . 4.15 1919 1274 C 224 LYS HEy C 224 LYS HBy 1.0 . 3.52 1920 1274 C 224 LYS HBy C 224 LYS HEx 1.0 . 3.52 1921 1275 C 225 HIS H C 224 LYS HBy 1.0 . 4.15 1922 1276 C 224 LYS HEy C 224 LYS HGx 1.0 . 4.14 1923 1276 C 224 LYS HEx C 224 LYS HGx 1.0 . 4.14 1924 1277 C 224 LYS HGy C 224 LYS HEy 1.0 . 4.14 1925 1277 C 224 LYS HGy C 224 LYS HEx 1.0 . 4.14 1926 1278 C 241 ARG O C 224 LYS N 1.0 . 3.00 1927 1279 C 224 LYS HBx C 224 LYS HDx 1.0 . 2.35 1928 1279 C 224 LYS HBy C 224 LYS HDx 1.0 . 2.35 1929 1279 C 224 LYS HDy C 224 LYS HBy 1.0 . 2.35 1930 1279 C 224 LYS HDy C 224 LYS HBx 1.0 . 2.35 1931 1280 C 224 LYS HBx C 224 LYS HEx 1.0 . 2.79 1932 1280 C 224 LYS HBy C 224 LYS HEx 1.0 . 2.79 1933 1280 C 224 LYS HEy C 224 LYS HBy 1.0 . 2.79 1934 1280 C 224 LYS HEy C 224 LYS HBx 1.0 . 2.79 1935 1281 C 225 HIS HD2 C 224 LYS HBy 1.0 . 4.29 1936 1281 C 225 HIS HD2 C 224 LYS HBx 1.0 . 4.29 1937 1282 C 225 HIS HE1 C 224 LYS HBy 1.0 . 3.86 1938 1282 C 225 HIS HE1 C 224 LYS HBx 1.0 . 3.86 1939 1283 C 241 ARG H C 224 LYS HBy 1.0 . 4.94 1940 1283 C 241 ARG H C 224 LYS HBx 1.0 . 4.94 1941 1284 C 243 LYS HA C 224 LYS HBy 1.0 . 5.34 1942 1284 C 224 LYS HBx C 243 LYS HA 1.0 . 5.34 1943 1285 C 241 ARG H C 224 LYS HEx 1.0 . 5.50 1944 1285 C 241 ARG H C 224 LYS HEy 1.0 . 5.50 1945 1286 C 243 LYS H C 224 LYS HEx 1.0 . 5.42 1946 1286 C 224 LYS HEy C 243 LYS H 1.0 . 5.42 1947 1287 C 243 LYS HA C 224 LYS HEx 1.0 . 4.67 1948 1287 C 224 LYS HEy C 243 LYS HA 1.0 . 4.67 1949 1288 C 224 LYS HEy C 224 LYS HGx 1.0 . 3.63 1950 1288 C 224 LYS HEx C 224 LYS HGx 1.0 . 3.63 1951 1288 C 224 LYS HGy C 224 LYS HEx 1.0 . 3.63 1952 1288 C 224 LYS HGy C 224 LYS HEy 1.0 . 3.63 1953 1289 C 225 HIS H C 224 LYS HGx 1.0 . 4.04 1954 1289 C 224 LYS HGy C 225 HIS H 1.0 . 4.04 1955 1290 C 243 LYS H C 224 LYS HGx 1.0 . 4.14 1956 1290 C 224 LYS HGy C 243 LYS H 1.0 . 4.14 1957 1291 C 243 LYS HA C 224 LYS HGx 1.0 . 3.56 1958 1291 C 224 LYS HGy C 243 LYS HA 1.0 . 3.56 1959 1292 C 240 ALA HA C 225 HIS H 1.0 . 5.06 1960 1293 C 225 HIS H C 240 ALA HB1 1.0 . 5.32 1961 1294 C 241 ARG H C 225 HIS H 1.0 . 4.50 1962 1295 C 225 HIS H C 241 ARG HBx 1.0 . 5.50 1963 1295 C 225 HIS H C 241 ARG HBy 1.0 . 5.50 1964 1296 C 226 LEU H C 225 HIS HBx 1.0 . 4.88 1965 1297 C 226 LEU H C 225 HIS HBy 1.0 . 4.42 1966 1298 C 225 HIS HE1 C 241 ARG HBx 1.0 . 3.72 1967 1298 C 225 HIS HE1 C 241 ARG HBy 1.0 . 3.72 1968 1299 C 225 HIS HE1 C 241 ARG HDx 1.0 . 3.94 1969 1299 C 225 HIS HE1 C 241 ARG HDy 1.0 . 3.94 1970 1300 C 225 HIS HE1 C 241 ARG HGx 1.0 . 4.03 1971 1300 C 225 HIS HE1 C 241 ARG HGy 1.0 . 4.03 1972 1301 C 226 LEU H C 226 LEU HG 1.0 . 4.68 1973 1302 C 226 LEU H C 226 LEU HD11 1.0 . 5.27 1974 1303 C 226 LEU H C 226 LEU HD21 1.0 . 5.27 1975 1304 C 226 LEU H C 226 LEU HD11 1.0 . 4.49 1976 1304 C 226 LEU H C 226 LEU HD21 1.0 . 4.49 1977 1305 C 226 LEU HA C 226 LEU HD11 1.0 . 4.82 1978 1306 C 226 LEU HD21 C 226 LEU HA 1.0 . 4.82 1979 1307 C 226 LEU HA C 226 LEU HD11 1.0 . 3.36 1980 1307 C 226 LEU HD21 C 226 LEU HA 1.0 . 3.36 1981 1308 C 241 ARG H C 226 LEU HA 1.0 . 5.50 1982 1309 C 226 LEU HBx C 226 LEU HD11 1.0 . 4.09 1983 1310 C 226 LEU HBx C 226 LEU HD21 1.0 . 4.09 1984 1311 C 226 LEU HBx C 261 TYR HE% 1.0 . 4.10 1985 1312 C 226 LEU HBy C 227 LYS H 1.0 . 5.45 1986 1313 C 226 LEU HBy C 239 VAL H 1.0 . 5.37 1987 1314 C 257 TRP HH2 C 226 LEU HD11 1.0 . 4.35 1988 1315 C 257 TRP HZ3 C 226 LEU HD11 1.0 . 4.51 1989 1316 C 226 LEU HD21 C 257 TRP HH2 1.0 . 4.35 1990 1317 C 226 LEU HD21 C 257 TRP HZ3 1.0 . 4.51 1991 1318 C 227 LYS H C 226 LEU HD11 1.0 . 4.24 1992 1318 C 226 LEU HD21 C 227 LYS H 1.0 . 4.24 1993 1319 C 240 ALA HA C 226 LEU HD11 1.0 . 3.99 1994 1319 C 226 LEU HD21 C 240 ALA HA 1.0 . 3.99 1995 1320 C 240 ALA HB1 C 226 LEU HD11 1.0 . 2.89 1996 1320 C 226 LEU HD21 C 240 ALA HB1 1.0 . 2.89 1997 1321 C 257 TRP HH2 C 226 LEU HD11 1.0 . 3.76 1998 1321 C 226 LEU HD21 C 257 TRP HH2 1.0 . 3.76 1999 1322 C 257 TRP HZ2 C 226 LEU HD11 1.0 . 5.04 2000 1322 C 226 LEU HD21 C 257 TRP HZ2 1.0 . 5.04 2001 1323 C 257 TRP HZ3 C 226 LEU HD11 1.0 . 3.92 2002 1323 C 226 LEU HD21 C 257 TRP HZ3 1.0 . 3.92 2003 1324 C 226 LEU HD21 C 258 ILE HG1y 1.0 . 3.36 2004 1324 C 226 LEU HD11 C 258 ILE HG1y 1.0 . 3.36 2005 1324 C 258 ILE HG1x C 226 LEU HD11 1.0 . 3.36 2006 1324 C 226 LEU HD21 C 258 ILE HG1x 1.0 . 3.36 2007 1325 C 261 TYR HBx C 226 LEU HD11 1.0 . 4.55 2008 1325 C 226 LEU HD21 C 261 TYR HBx 1.0 . 4.55 2009 1326 C 261 TYR HBy C 226 LEU HD11 1.0 . 5.13 2010 1326 C 226 LEU HD21 C 261 TYR HBy 1.0 . 5.13 2011 1327 C 261 TYR HD% C 226 LEU HD11 1.0 . 3.49 2012 1327 C 226 LEU HD21 C 261 TYR HD% 1.0 . 3.49 2013 1328 C 261 TYR HE% C 226 LEU HD11 1.0 . 3.82 2014 1328 C 226 LEU HD21 C 261 TYR HE% 1.0 . 3.82 2015 1329 C 262 LEU H C 226 LEU HD11 1.0 . 5.07 2016 1329 C 226 LEU HD21 C 262 LEU H 1.0 . 5.07 2017 1330 C 227 LYS HGx C 227 LYS H 1.0 . 5.25 2018 1331 C 227 LYS HGy C 227 LYS H 1.0 . 4.91 2019 1332 C 228 ILE H C 227 LYS H 1.0 . 5.48 2020 1333 C 227 LYS H C 238 ILE HD11 1.0 . 5.50 2021 1334 C 227 LYS H C 238 ILE HG21 1.0 . 4.56 2022 1335 C 227 LYS H C 239 VAL H 1.0 . 4.58 2023 1336 C 227 LYS H C 239 VAL O 1.0 . 2.00 2024 1337 C 227 LYS H C 239 VAL HG11 1.0 . 5.28 2025 1338 C 227 LYS H C 239 VAL HG21 1.0 . 5.28 2026 1339 C 227 LYS H C 239 VAL HG11 1.0 . 4.62 2027 1339 C 227 LYS H C 239 VAL HG21 1.0 . 4.62 2028 1340 C 240 ALA HA C 227 LYS H 1.0 . 4.48 2029 1341 C 227 LYS HDx C 227 LYS HA 1.0 . 4.88 2030 1342 C 227 LYS HDy C 227 LYS HA 1.0 . 4.66 2031 1343 C 227 LYS HEx C 227 LYS HA 1.0 . 5.50 2032 1344 C 227 LYS HA C 227 LYS HEy 1.0 . 5.50 2033 1345 C 227 LYS HDx C 227 LYS HGx 1.0 . 2.58 2034 1346 C 227 LYS HGx C 227 LYS HEx 1.0 . 4.18 2035 1347 C 227 LYS HGx C 227 LYS HEy 1.0 . 4.18 2036 1348 C 227 LYS HGx C 227 LYS HEy 1.0 . 3.67 2037 1348 C 227 LYS HGx C 227 LYS HEx 1.0 . 3.67 2038 1349 C 227 LYS HGx D 312 TYR HE% 1.0 . 4.96 2039 1350 C 227 LYS HGy D 312 TYR HE% 1.0 . 5.50 2040 1351 C 239 VAL O C 227 LYS N 1.0 . 3.00 2041 1352 C 239 VAL H C 227 LYS O 1.0 . 2.00 2042 1353 C 227 LYS O C 239 VAL N 1.0 . 3.00 2043 1354 C 227 LYS HDx C 227 LYS HBx 1.0 . 4.03 2044 1354 C 227 LYS HDx C 227 LYS HBy 1.0 . 4.03 2045 1355 C 227 LYS HDy C 227 LYS HBx 1.0 . 3.99 2046 1355 C 227 LYS HDy C 227 LYS HBy 1.0 . 3.99 2047 1356 C 227 LYS HBy C 227 LYS HEx 1.0 . 4.47 2048 1356 C 227 LYS HEx C 227 LYS HBx 1.0 . 4.47 2049 1357 C 227 LYS HBx C 227 LYS HEy 1.0 . 4.47 2050 1357 C 227 LYS HBy C 227 LYS HEy 1.0 . 4.47 2051 1358 C 228 ILE H C 227 LYS HBx 1.0 . 4.49 2052 1358 C 227 LYS HBy C 228 ILE H 1.0 . 4.49 2053 1359 C 239 VAL H C 227 LYS HBx 1.0 . 4.86 2054 1359 C 227 LYS HBy C 239 VAL H 1.0 . 4.86 2055 1360 C 227 LYS HEx C 229 LEU HD11 1.0 . 3.99 2056 1360 C 227 LYS HEy C 229 LEU HD11 1.0 . 3.99 2057 1360 C 229 LEU HD21 C 227 LYS HEy 1.0 . 3.99 2058 1360 C 229 LEU HD21 C 227 LYS HEx 1.0 . 3.99 2059 1361 C 228 ILE H C 228 ILE HD11 1.0 . 4.10 2060 1362 C 228 ILE H C 228 ILE HG1x 1.0 . 4.38 2061 1362 C 228 ILE H C 228 ILE HG1y 1.0 . 4.38 2062 1363 C 228 ILE H C 228 ILE HG21 1.0 . 4.36 2063 1364 C 228 ILE HD11 C 228 ILE HA 1.0 . 4.25 2064 1365 C 228 ILE HA C 228 ILE HG1x 1.0 . 3.98 2065 1365 C 228 ILE HG1y C 228 ILE HA 1.0 . 3.98 2066 1366 C 228 ILE HG21 C 228 ILE HA 1.0 . 3.78 2067 1367 C 238 ILE HD11 C 228 ILE HA 1.0 . 4.93 2068 1368 C 238 ILE HG21 C 228 ILE HA 1.0 . 4.48 2069 1369 C 228 ILE HB C 228 ILE HD11 1.0 . 3.49 2070 1370 C 228 ILE HB C 229 LEU H 1.0 . 4.31 2071 1371 C 228 ILE HD11 C 229 LEU H 1.0 . 5.25 2072 1372 C 229 LEU H C 228 ILE HG1x 1.0 . 5.09 2073 1372 C 228 ILE HG1y C 229 LEU H 1.0 . 5.09 2074 1373 C 228 ILE HD11 C 228 ILE HG21 1.0 . 2.90 2075 1374 C 228 ILE HG21 C 228 ILE HG1x 1.0 . 3.64 2076 1374 C 228 ILE HG1y C 228 ILE HG21 1.0 . 3.64 2077 1375 C 228 ILE HG21 C 229 LEU H 1.0 . 4.30 2078 1376 C 228 ILE HG21 C 236 CYS HA 1.0 . 5.12 2079 1377 C 228 ILE HG21 C 238 ILE HD11 1.0 . 3.13 2080 1378 C 228 ILE HG21 C 238 ILE HG1x 1.0 . 3.50 2081 1378 C 228 ILE HG21 C 238 ILE HG1y 1.0 . 3.50 2082 1379 C 229 LEU H C 229 LEU HD11 1.0 . 4.80 2083 1380 C 229 LEU HD21 C 229 LEU H 1.0 . 4.80 2084 1381 C 229 LEU H C 229 LEU HD11 1.0 . 4.06 2085 1381 C 229 LEU HD21 C 229 LEU H 1.0 . 4.06 2086 1382 C 229 LEU H C 237 GLN H 1.0 . 4.41 2087 1383 C 229 LEU H C 237 GLN HBx 1.0 . 5.50 2088 1383 C 229 LEU H C 237 GLN HBy 1.0 . 5.50 2089 1384 C 229 LEU H C 237 GLN HGx 1.0 . 5.50 2090 1384 C 229 LEU H C 237 GLN HGy 1.0 . 5.50 2091 1385 C 229 LEU HA C 237 GLN HBx 1.0 . 5.50 2092 1385 C 229 LEU HA C 237 GLN HBy 1.0 . 5.50 2093 1386 D 312 TYR HD% C 229 LEU HBx 1.0 . 3.81 2094 1386 D 312 TYR HD% C 229 LEU HBy 1.0 . 3.81 2095 1387 D 312 TYR HE% C 229 LEU HBx 1.0 . 3.44 2096 1387 D 312 TYR HE% C 229 LEU HBy 1.0 . 3.44 2097 1388 D 312 TYR HD% C 229 LEU HD11 1.0 . 3.15 2098 1389 D 312 TYR HE% C 229 LEU HD11 1.0 . 3.20 2099 1390 C 229 LEU HD21 D 312 TYR HD% 1.0 . 3.15 2100 1391 C 229 LEU HD21 D 312 TYR HE% 1.0 . 3.20 2101 1392 C 230 ASN H C 229 LEU HD11 1.0 . 5.40 2102 1392 C 229 LEU HD21 C 230 ASN H 1.0 . 5.40 2103 1393 D 312 TYR HBx C 229 LEU HD11 1.0 . 5.40 2104 1393 C 229 LEU HD21 D 312 TYR HBx 1.0 . 5.40 2105 1394 D 312 TYR HE% C 229 LEU HD11 1.0 . 2.76 2106 1394 C 229 LEU HD21 D 312 TYR HE% 1.0 . 2.76 2107 1395 C 231 THR HG21 C 231 THR H 1.0 . 4.97 2108 1396 C 231 THR HG21 C 231 THR HA 1.0 . 3.79 2109 1397 C 231 THR HA C 232 PRO HDx 1.0 . 3.67 2110 1397 C 231 THR HA C 232 PRO HDy 1.0 . 3.67 2111 1398 C 231 THR HB C 232 PRO HDx 1.0 . 4.22 2112 1398 C 232 PRO HDy C 231 THR HB 1.0 . 4.22 2113 1399 C 231 THR HG21 C 232 PRO HDx 1.0 . 4.08 2114 1399 C 231 THR HG21 C 232 PRO HDy 1.0 . 4.08 2115 1400 C 231 THR HG21 C 234 CYS HBx 1.0 . 5.10 2116 1401 C 231 THR HG21 C 234 CYS HBy 1.0 . 4.91 2117 1402 C 231 THR HG21 C 237 GLN HE2x 1.0 . 5.34 2118 1402 C 231 THR HG21 C 237 GLN HE2y 1.0 . 5.34 2119 1403 C 231 THR HG21 D 312 TYR HD% 1.0 . 3.12 2120 1404 C 234 CYS HBx C 237 GLN HE2x 1.0 . 4.82 2121 1405 C 234 CYS HBx C 237 GLN HE2y 1.0 . 4.82 2122 1406 C 235 ALA HB1 C 236 CYS H 1.0 . 4.22 2123 1407 C 237 GLN HE2x C 235 ALA HB1 1.0 . 5.50 2124 1408 C 237 GLN HE2y C 235 ALA HB1 1.0 . 5.50 2125 1409 C 235 ALA HB1 C 254 LYS HDx 1.0 . 4.03 2126 1409 C 235 ALA HB1 C 254 LYS HDy 1.0 . 4.03 2127 1410 C 253 PRO HBx C 236 CYS HBx 1.0 . 5.50 2128 1411 C 253 PRO HBx C 236 CYS HBy 1.0 . 5.50 2129 1412 C 253 PRO HBx C 236 CYS HBy 1.0 . 4.78 2130 1412 C 253 PRO HBx C 236 CYS HBx 1.0 . 4.78 2131 1413 C 237 GLN H C 237 GLN HE2x 1.0 . 5.34 2132 1413 C 237 GLN H C 237 GLN HE2y 1.0 . 5.34 2133 1414 C 237 GLN H C 237 GLN HGx 1.0 . 4.69 2134 1414 C 237 GLN H C 237 GLN HGy 1.0 . 4.69 2135 1415 C 237 GLN H C 253 PRO HGy 1.0 . 4.60 2136 1416 C 237 GLN HE2x C 237 GLN HBx 1.0 . 4.90 2137 1416 C 237 GLN HBy C 237 GLN HE2x 1.0 . 4.90 2138 1417 C 237 GLN HE2y C 237 GLN HBx 1.0 . 4.90 2139 1417 C 237 GLN HBy C 237 GLN HE2y 1.0 . 4.90 2140 1418 C 237 GLN HBy C 237 GLN HE2y 1.0 . 4.26 2141 1418 C 237 GLN HE2y C 237 GLN HBx 1.0 . 4.26 2142 1418 C 237 GLN HE2x C 237 GLN HBx 1.0 . 4.26 2143 1418 C 237 GLN HBy C 237 GLN HE2x 1.0 . 4.26 2144 1419 C 237 GLN HE2x C 253 PRO HGy 1.0 . 5.01 2145 1419 C 237 GLN HE2y C 253 PRO HGy 1.0 . 5.01 2146 1420 C 238 ILE H C 238 ILE HB 1.0 . 3.96 2147 1421 C 238 ILE HD11 C 238 ILE H 1.0 . 4.91 2148 1422 C 238 ILE H C 238 ILE HG1x 1.0 . 5.16 2149 1422 C 238 ILE HG1y C 238 ILE H 1.0 . 5.16 2150 1423 C 238 ILE HG21 C 238 ILE H 1.0 . 4.48 2151 1424 C 238 ILE H C 251 ILE H 1.0 . 5.29 2152 1425 C 253 PRO HGy C 238 ILE H 1.0 . 5.26 2153 1426 C 238 ILE HD11 C 238 ILE HA 1.0 . 4.53 2154 1427 C 238 ILE HG21 C 238 ILE HA 1.0 . 3.74 2155 1428 C 238 ILE HD11 C 238 ILE HB 1.0 . 3.18 2156 1429 C 239 VAL H C 238 ILE HB 1.0 . 4.36 2157 1430 C 238 ILE HB C 251 ILE H 1.0 . 4.87 2158 1431 C 238 ILE HB C 251 ILE HB 1.0 . 4.76 2159 1432 C 251 ILE HG21 C 238 ILE HB 1.0 . 3.85 2160 1433 C 238 ILE HB C 258 ILE HG1y 1.0 . 5.34 2161 1433 C 258 ILE HG1x C 238 ILE HB 1.0 . 5.34 2162 1434 C 251 ILE H C 238 ILE O 1.0 . 2.00 2163 1435 C 238 ILE O C 251 ILE N 1.0 . 3.00 2164 1436 C 238 ILE HD11 C 251 ILE HB 1.0 . 4.39 2165 1437 C 238 ILE HD11 C 258 ILE HB 1.0 . 4.17 2166 1438 C 238 ILE HD11 C 258 ILE HD11 1.0 . 3.13 2167 1439 C 238 ILE HD11 C 258 ILE HG1y 1.0 . 3.63 2168 1439 C 258 ILE HG1x C 238 ILE HD11 1.0 . 3.63 2169 1440 C 238 ILE HD11 C 258 ILE HG21 1.0 . 3.14 2170 1441 C 238 ILE HG1y C 258 ILE HG1y 1.0 . 5.34 2171 1441 C 238 ILE HG1x C 258 ILE HG1y 1.0 . 5.34 2172 1441 C 258 ILE HG1x C 238 ILE HG1x 1.0 . 5.34 2173 1441 C 258 ILE HG1x C 238 ILE HG1y 1.0 . 5.34 2174 1442 C 238 ILE HG21 C 238 ILE HG1x 1.0 . 3.53 2175 1442 C 238 ILE HG21 C 238 ILE HG1y 1.0 . 3.53 2176 1443 C 239 VAL H C 238 ILE HG21 1.0 . 3.69 2177 1444 C 238 ILE HG21 C 251 ILE H 1.0 . 5.30 2178 1445 C 238 ILE HG21 C 251 ILE HB 1.0 . 4.29 2179 1446 C 238 ILE HG21 C 251 ILE HG1y 1.0 . 4.24 2180 1446 C 238 ILE HG21 C 251 ILE HG1x 1.0 . 4.24 2181 1447 C 238 ILE HG21 C 253 PRO HDx 1.0 . 5.50 2182 1447 C 253 PRO HDy C 238 ILE HG21 1.0 . 5.50 2183 1448 C 239 VAL H C 239 VAL HG11 1.0 . 5.50 2184 1449 C 239 VAL H C 239 VAL HG21 1.0 . 5.50 2185 1450 C 239 VAL H C 239 VAL HG11 1.0 . 4.29 2186 1450 C 239 VAL H C 239 VAL HG21 1.0 . 4.29 2187 1451 C 239 VAL H C 251 ILE HG1y 1.0 . 4.98 2188 1451 C 239 VAL H C 251 ILE HG1x 1.0 . 4.98 2189 1452 C 239 VAL HA C 250 CYS HA 1.0 . 4.17 2190 1453 C 251 ILE H C 239 VAL HA 1.0 . 4.33 2191 1454 C 240 ALA H C 239 VAL HG11 1.0 . 4.64 2192 1454 C 239 VAL HG21 C 240 ALA H 1.0 . 4.64 2193 1455 C 240 ALA HB1 C 240 ALA H 1.0 . 4.04 2194 1456 C 240 ALA H C 249 VAL H 1.0 . 4.80 2195 1457 C 240 ALA H C 249 VAL O 1.0 . 2.00 2196 1458 C 251 ILE H C 240 ALA H 1.0 . 5.50 2197 1459 C 249 VAL O C 240 ALA N 1.0 . 3.00 2198 1460 C 249 VAL H C 240 ALA O 1.0 . 2.00 2199 1461 C 240 ALA O C 249 VAL N 1.0 . 3.00 2200 1462 C 241 ARG H C 240 ALA HB1 1.0 . 4.01 2201 1463 C 240 ALA HB1 C 249 VAL H 1.0 . 4.86 2202 1464 C 240 ALA HB1 C 249 VAL HB 1.0 . 5.15 2203 1465 C 249 VAL HG21 C 240 ALA HB1 1.0 . 2.92 2204 1466 C 240 ALA HB1 C 251 ILE H 1.0 . 4.78 2205 1467 C 257 TRP HH2 C 240 ALA HB1 1.0 . 4.59 2206 1468 C 257 TRP HZ2 C 240 ALA HB1 1.0 . 4.54 2207 1469 C 241 ARG H C 241 ARG HDx 1.0 . 5.50 2208 1469 C 241 ARG H C 241 ARG HDy 1.0 . 5.50 2209 1470 C 241 ARG H C 249 VAL H 1.0 . 5.50 2210 1471 C 249 VAL HG21 C 241 ARG H 1.0 . 5.50 2211 1472 C 241 ARG HA C 241 ARG HDx 1.0 . 4.20 2212 1472 C 241 ARG HDy C 241 ARG HA 1.0 . 4.20 2213 1473 C 241 ARG HA C 248 GLN HA 1.0 . 4.61 2214 1474 C 241 ARG HA C 248 GLN HGx 1.0 . 5.48 2215 1474 C 241 ARG HA C 248 GLN HGy 1.0 . 5.48 2216 1475 C 249 VAL H C 241 ARG HA 1.0 . 4.75 2217 1476 C 249 VAL HG21 C 241 ARG HA 1.0 . 4.59 2218 1477 C 241 ARG HBy C 241 ARG HDx 1.0 . 3.84 2219 1477 C 241 ARG HBx C 241 ARG HDx 1.0 . 3.84 2220 1477 C 241 ARG HDy C 241 ARG HBx 1.0 . 3.84 2221 1477 C 241 ARG HBy C 241 ARG HDy 1.0 . 3.84 2222 1478 C 242 LEU H C 241 ARG HBx 1.0 . 4.89 2223 1478 C 242 LEU H C 241 ARG HBy 1.0 . 4.89 2224 1479 C 241 ARG HBy C 248 GLN HGx 1.0 . 5.31 2225 1479 C 241 ARG HBx C 248 GLN HGx 1.0 . 5.31 2226 1479 C 248 GLN HGy C 241 ARG HBx 1.0 . 5.31 2227 1479 C 241 ARG HBy C 248 GLN HGy 1.0 . 5.31 2228 1480 C 242 LEU H C 241 ARG HDx 1.0 . 5.01 2229 1480 C 242 LEU H C 241 ARG HDy 1.0 . 5.01 2230 1481 C 241 ARG HDy C 248 GLN HBx 1.0 . 5.37 2231 1481 C 248 GLN HBx C 241 ARG HDx 1.0 . 5.37 2232 1482 C 241 ARG HDx C 248 GLN HBy 1.0 . 5.37 2233 1482 C 241 ARG HDy C 248 GLN HBy 1.0 . 5.37 2234 1483 C 241 ARG HDx C 248 GLN HBy 1.0 . 4.67 2235 1483 C 241 ARG HDy C 248 GLN HBy 1.0 . 4.67 2236 1483 C 248 GLN HBx C 241 ARG HDx 1.0 . 4.67 2237 1483 C 241 ARG HDy C 248 GLN HBx 1.0 . 4.67 2238 1484 C 241 ARG HDy C 248 GLN HGx 1.0 . 5.48 2239 1484 C 241 ARG HDx C 248 GLN HGx 1.0 . 5.48 2240 1484 C 248 GLN HGy C 241 ARG HDx 1.0 . 5.48 2241 1484 C 241 ARG HDy C 248 GLN HGy 1.0 . 5.48 2242 1485 C 242 LEU HBx C 242 LEU H 1.0 . 4.10 2243 1486 C 242 LEU H C 242 LEU HG 1.0 . 4.31 2244 1487 C 242 LEU H C 242 LEU HD11 1.0 . 4.49 2245 1488 C 242 LEU HD21 C 242 LEU H 1.0 . 4.49 2246 1489 C 242 LEU H C 242 LEU HD11 1.0 . 3.90 2247 1489 C 242 LEU HD21 C 242 LEU H 1.0 . 3.90 2248 1490 C 242 LEU H C 248 GLN HA 1.0 . 4.55 2249 1491 C 242 LEU H C 249 VAL H 1.0 . 5.50 2250 1492 C 242 LEU HA C 242 LEU HD11 1.0 . 4.51 2251 1493 C 242 LEU HD21 C 242 LEU HA 1.0 . 4.51 2252 1494 C 242 LEU HA C 242 LEU HD11 1.0 . 3.22 2253 1494 C 242 LEU HD21 C 242 LEU HA 1.0 . 3.22 2254 1495 C 242 LEU HBx C 242 LEU HD11 1.0 . 3.12 2255 1495 C 242 LEU HD21 C 242 LEU HBx 1.0 . 3.12 2256 1496 C 242 LEU HBx C 243 LYS H 1.0 . 5.06 2257 1497 C 242 LEU HBx C 247 ARG H 1.0 . 3.46 2258 1498 C 242 LEU HBy C 242 LEU HD11 1.0 . 3.83 2259 1499 C 242 LEU HD21 C 242 LEU HBy 1.0 . 3.83 2260 1500 C 243 LYS H C 242 LEU HBy 1.0 . 4.72 2261 1501 C 247 ARG H C 242 LEU HBy 1.0 . 4.48 2262 1502 C 243 LYS H C 242 LEU HG 1.0 . 5.50 2263 1503 C 242 LEU HG C 247 ARG H 1.0 . 5.14 2264 1504 C 242 LEU HG C 249 VAL HG11 1.0 . 3.92 2265 1505 C 249 VAL HG21 C 242 LEU HG 1.0 . 3.95 2266 1506 C 243 LYS H C 242 LEU HD11 1.0 . 5.14 2267 1507 C 242 LEU HD21 C 243 LYS H 1.0 . 5.14 2268 1508 C 243 LYS H C 242 LEU HD11 1.0 . 3.88 2269 1508 C 242 LEU HD21 C 243 LYS H 1.0 . 3.88 2270 1509 C 242 LEU HD21 C 246 ASN HBy 1.0 . 4.71 2271 1509 C 242 LEU HD11 C 246 ASN HBy 1.0 . 4.71 2272 1509 C 246 ASN HBx C 242 LEU HD11 1.0 . 4.71 2273 1509 C 242 LEU HD21 C 246 ASN HBx 1.0 . 4.71 2274 1510 C 247 ARG H C 242 LEU HD11 1.0 . 4.53 2275 1510 C 242 LEU HD21 C 247 ARG H 1.0 . 4.53 2276 1511 C 247 ARG HA C 242 LEU HD11 1.0 . 5.11 2277 1511 C 242 LEU HD21 C 247 ARG HA 1.0 . 5.11 2278 1512 C 242 LEU HD11 C 247 ARG HBx 1.0 . 3.96 2279 1512 C 242 LEU HD21 C 247 ARG HBx 1.0 . 3.96 2280 1512 C 247 ARG HBy C 242 LEU HD11 1.0 . 3.96 2281 1512 C 242 LEU HD21 C 247 ARG HBy 1.0 . 3.96 2282 1513 C 242 LEU HD11 C 247 ARG HDy 1.0 . 3.74 2283 1513 C 242 LEU HD21 C 247 ARG HDy 1.0 . 3.74 2284 1513 C 247 ARG HDx C 242 LEU HD11 1.0 . 3.74 2285 1513 C 242 LEU HD21 C 247 ARG HDx 1.0 . 3.74 2286 1514 C 248 GLN H C 242 LEU HD11 1.0 . 5.44 2287 1514 C 242 LEU HD21 C 248 GLN H 1.0 . 5.44 2288 1515 C 248 GLN HA C 242 LEU HD11 1.0 . 4.50 2289 1515 C 242 LEU HD21 C 248 GLN HA 1.0 . 4.50 2290 1516 C 249 VAL H C 242 LEU HD11 1.0 . 5.44 2291 1516 C 242 LEU HD21 C 249 VAL H 1.0 . 5.44 2292 1517 C 249 VAL HB C 242 LEU HD11 1.0 . 4.26 2293 1517 C 242 LEU HD21 C 249 VAL HB 1.0 . 4.26 2294 1518 C 243 LYS HDy C 243 LYS H 1.0 . 3.86 2295 1519 C 243 LYS HGx C 243 LYS H 1.0 . 4.62 2296 1520 C 243 LYS HGy C 243 LYS H 1.0 . 4.24 2297 1521 C 243 LYS H C 243 LYS HEx 1.0 . 5.50 2298 1521 C 243 LYS H C 243 LYS HEy 1.0 . 5.50 2299 1522 C 243 LYS HDx C 243 LYS HA 1.0 . 5.02 2300 1523 C 243 LYS HDy C 243 LYS HA 1.0 . 5.01 2301 1524 C 243 LYS HGy C 243 LYS HA 1.0 . 4.12 2302 1525 C 243 LYS HA C 243 LYS HEx 1.0 . 4.47 2303 1525 C 243 LYS HA C 243 LYS HEy 1.0 . 4.47 2304 1526 C 243 LYS HBx C 243 LYS HEy 1.0 . 5.16 2305 1526 C 243 LYS HBx C 243 LYS HEx 1.0 . 5.16 2306 1527 C 243 LYS HEy C 243 LYS HBy 1.0 . 5.16 2307 1527 C 243 LYS HBy C 243 LYS HEx 1.0 . 5.16 2308 1528 C 243 LYS HDy C 243 LYS HBy 1.0 . 3.17 2309 1528 C 243 LYS HDy C 243 LYS HBx 1.0 . 3.17 2310 1529 C 243 LYS HBx C 243 LYS HEx 1.0 . 4.48 2311 1529 C 243 LYS HBy C 243 LYS HEx 1.0 . 4.48 2312 1529 C 243 LYS HEy C 243 LYS HBy 1.0 . 4.48 2313 1529 C 243 LYS HBx C 243 LYS HEy 1.0 . 4.48 2314 1530 C 247 ARG H C 246 ASN HBx 1.0 . 4.87 2315 1531 C 247 ARG H C 246 ASN HBy 1.0 . 4.87 2316 1532 C 247 ARG H C 246 ASN HBy 1.0 . 4.24 2317 1532 C 247 ARG H C 246 ASN HBx 1.0 . 4.24 2318 1533 C 247 ARG H C 247 ARG HDx 1.0 . 5.50 2319 1534 C 247 ARG H C 247 ARG HDy 1.0 . 5.50 2320 1535 C 247 ARG H C 247 ARG HGx 1.0 . 4.55 2321 1536 C 247 ARG H C 247 ARG HGy 1.0 . 4.55 2322 1537 C 247 ARG H C 247 ARG HBx 1.0 . 3.74 2323 1537 C 247 ARG H C 247 ARG HBy 1.0 . 3.74 2324 1538 C 247 ARG H C 247 ARG HDy 1.0 . 4.71 2325 1538 C 247 ARG H C 247 ARG HDx 1.0 . 4.71 2326 1539 C 247 ARG H C 247 ARG HGy 1.0 . 3.69 2327 1539 C 247 ARG H C 247 ARG HGx 1.0 . 3.69 2328 1540 C 247 ARG HA C 247 ARG HDx 1.0 . 4.74 2329 1541 C 247 ARG HA C 247 ARG HDy 1.0 . 4.74 2330 1542 C 247 ARG HA C 247 ARG HDy 1.0 . 3.86 2331 1542 C 247 ARG HA C 247 ARG HDx 1.0 . 3.86 2332 1543 C 247 ARG HA C 247 ARG HGy 1.0 . 3.70 2333 1543 C 247 ARG HA C 247 ARG HGx 1.0 . 3.70 2334 1544 C 247 ARG HA C 248 GLN H 1.0 . 3.46 2335 1545 C 247 ARG HBx C 247 ARG HDy 1.0 . 3.25 2336 1545 C 247 ARG HBy C 247 ARG HDy 1.0 . 3.25 2337 1545 C 247 ARG HDx C 247 ARG HBx 1.0 . 3.25 2338 1545 C 247 ARG HBy C 247 ARG HDx 1.0 . 3.25 2339 1546 C 248 GLN H C 247 ARG HBx 1.0 . 3.96 2340 1546 C 247 ARG HBy C 248 GLN H 1.0 . 3.96 2341 1547 C 247 ARG HDx C 247 ARG HGy 1.0 . 2.36 2342 1547 C 247 ARG HDy C 247 ARG HGy 1.0 . 2.36 2343 1547 C 247 ARG HGx C 247 ARG HDy 1.0 . 2.36 2344 1547 C 247 ARG HDx C 247 ARG HGx 1.0 . 2.36 2345 1548 C 248 GLN H C 247 ARG HGy 1.0 . 4.27 2346 1548 C 248 GLN H C 247 ARG HGx 1.0 . 4.27 2347 1549 C 248 GLN H C 248 GLN HGx 1.0 . 4.59 2348 1549 C 248 GLN HGy C 248 GLN H 1.0 . 4.59 2349 1550 C 248 GLN HA C 249 VAL HG11 1.0 . 4.98 2350 1551 C 249 VAL H C 248 GLN HBx 1.0 . 4.71 2351 1552 C 249 VAL H C 248 GLN HBy 1.0 . 4.71 2352 1553 C 249 VAL H C 248 GLN HBy 1.0 . 4.12 2353 1553 C 249 VAL H C 248 GLN HBx 1.0 . 4.12 2354 1554 C 249 VAL H C 248 GLN HGx 1.0 . 5.50 2355 1554 C 249 VAL H C 248 GLN HGy 1.0 . 5.50 2356 1555 C 249 VAL H C 249 VAL HG11 1.0 . 3.80 2357 1556 C 249 VAL HG21 C 249 VAL H 1.0 . 3.51 2358 1557 C 249 VAL HG11 C 249 VAL HA 1.0 . 3.51 2359 1558 C 249 VAL HB C 250 CYS H 1.0 . 4.17 2360 1559 D 321 TYR HE% C 249 VAL HB 1.0 . 5.50 2361 1560 C 249 VAL HG11 C 250 CYS H 1.0 . 4.29 2362 1561 D 321 TYR HD% C 249 VAL HG11 1.0 . 4.24 2363 1562 D 321 TYR HE% C 249 VAL HG11 1.0 . 3.29 2364 1563 C 249 VAL HG21 C 250 CYS H 1.0 . 4.56 2365 1564 D 321 TYR HE% C 249 VAL HG21 1.0 . 3.51 2366 1565 C 250 CYS HBx C 251 ILE H 1.0 . 5.10 2367 1566 C 250 CYS HBy C 251 ILE H 1.0 . 4.74 2368 1567 C 251 ILE H C 251 ILE HG1x 1.0 . 5.09 2369 1568 C 251 ILE H C 251 ILE HG1y 1.0 . 5.09 2370 1569 C 251 ILE HD11 C 251 ILE H 1.0 . 3.75 2371 1570 C 251 ILE H C 251 ILE HG1y 1.0 . 4.34 2372 1570 C 251 ILE H C 251 ILE HG1x 1.0 . 4.34 2373 1571 C 251 ILE HA C 251 ILE HD11 1.0 . 4.03 2374 1572 C 251 ILE HA C 251 ILE HG21 1.0 . 3.91 2375 1573 C 251 ILE HA C 255 LEU HD11 1.0 . 5.50 2376 1574 C 251 ILE HD11 C 251 ILE HB 1.0 . 3.28 2377 1575 C 252 ASP H C 251 ILE HB 1.0 . 4.54 2378 1576 C 251 ILE HB C 258 ILE HG1y 1.0 . 4.69 2379 1576 C 258 ILE HG1x C 251 ILE HB 1.0 . 4.69 2380 1577 C 252 ASP H C 251 ILE HG1x 1.0 . 5.16 2381 1578 C 252 ASP H C 251 ILE HG1y 1.0 . 5.16 2382 1579 C 252 ASP H C 251 ILE HD11 1.0 . 4.86 2383 1580 C 251 ILE HD11 C 257 TRP HH2 1.0 . 4.37 2384 1581 C 251 ILE HD11 C 257 TRP HZ2 1.0 . 3.99 2385 1582 C 251 ILE HD11 C 258 ILE HG1y 1.0 . 4.78 2386 1582 C 251 ILE HD11 C 258 ILE HG1x 1.0 . 4.78 2387 1583 C 251 ILE HG1x C 258 ILE HG1y 1.0 . 4.22 2388 1583 C 251 ILE HG1y C 258 ILE HG1y 1.0 . 4.22 2389 1583 C 258 ILE HG1x C 251 ILE HG1y 1.0 . 4.22 2390 1583 C 258 ILE HG1x C 251 ILE HG1x 1.0 . 4.22 2391 1584 C 251 ILE HG21 C 251 ILE HG1x 1.0 . 3.27 2392 1585 C 251 ILE HG21 C 251 ILE HG1y 1.0 . 3.27 2393 1586 C 251 ILE HD11 C 251 ILE HG21 1.0 . 2.40 2394 1587 C 251 ILE HG21 C 251 ILE HG1y 1.0 . 2.81 2395 1587 C 251 ILE HG21 C 251 ILE HG1x 1.0 . 2.81 2396 1588 C 252 ASP H C 251 ILE HG21 1.0 . 4.23 2397 1589 C 251 ILE HG21 C 253 PRO HA 1.0 . 5.21 2398 1590 C 251 ILE HG21 C 257 TRP HZ2 1.0 . 5.50 2399 1591 C 251 ILE HG21 C 258 ILE HG1y 1.0 . 3.27 2400 1591 C 251 ILE HG21 C 258 ILE HG1x 1.0 . 3.27 2401 1592 C 252 ASP H C 252 ASP HBx 1.0 . 3.98 2402 1593 C 252 ASP H C 252 ASP HBy 1.0 . 3.98 2403 1594 C 252 ASP H C 255 LEU H 1.0 . 5.43 2404 1595 C 252 ASP H C 255 LEU HG 1.0 . 4.96 2405 1596 C 252 ASP H C 255 LEU HD11 1.0 . 4.42 2406 1597 C 252 ASP HA C 253 PRO HDx 1.0 . 3.90 2407 1597 C 252 ASP HA C 253 PRO HDy 1.0 . 3.90 2408 1598 C 252 ASP HA C 254 LYS H 1.0 . 5.14 2409 1599 C 252 ASP HBx C 255 LEU H 1.0 . 5.22 2410 1600 C 252 ASP HBx C 255 LEU HD11 1.0 . 4.78 2411 1601 C 252 ASP HBx C 255 LEU HD21 1.0 . 4.93 2412 1602 C 255 LEU H C 252 ASP HBy 1.0 . 5.22 2413 1603 C 255 LEU HD11 C 252 ASP HBy 1.0 . 4.78 2414 1604 C 255 LEU HD21 C 252 ASP HBy 1.0 . 4.93 2415 1605 C 255 LEU H C 252 ASP HBy 1.0 . 4.56 2416 1605 C 252 ASP HBx C 255 LEU H 1.0 . 4.56 2417 1606 C 255 LEU HG C 252 ASP HBy 1.0 . 3.75 2418 1606 C 252 ASP HBx C 255 LEU HG 1.0 . 3.75 2419 1607 C 255 LEU HD11 C 252 ASP HBy 1.0 . 4.18 2420 1607 C 252 ASP HBx C 255 LEU HD11 1.0 . 4.18 2421 1608 C 255 LEU HD21 C 252 ASP HBy 1.0 . 4.31 2422 1608 C 252 ASP HBx C 255 LEU HD21 1.0 . 4.31 2423 1609 C 253 PRO HA C 255 LEU H 1.0 . 5.42 2424 1610 C 258 ILE HB C 253 PRO HA 1.0 . 5.41 2425 1611 C 258 ILE HD11 C 253 PRO HA 1.0 . 3.74 2426 1612 C 253 PRO HA C 258 ILE HG1y 1.0 . 4.25 2427 1612 C 258 ILE HG1x C 253 PRO HA 1.0 . 4.25 2428 1613 C 258 ILE HG21 C 253 PRO HA 1.0 . 3.75 2429 1614 C 253 PRO HBx C 258 ILE HG21 1.0 . 5.12 2430 1615 C 258 ILE HG21 C 253 PRO HBy 1.0 . 4.96 2431 1616 C 254 LYS H C 253 PRO HGx 1.0 . 3.94 2432 1617 C 254 LYS H C 253 PRO HDx 1.0 . 4.53 2433 1617 C 253 PRO HDy C 254 LYS H 1.0 . 4.53 2434 1618 C 254 LYS H C 254 LYS HBx 1.0 . 3.74 2435 1619 C 254 LYS H C 254 LYS HBy 1.0 . 3.74 2436 1620 C 254 LYS H C 254 LYS HGx 1.0 . 4.25 2437 1621 C 254 LYS H C 254 LYS HGy 1.0 . 4.25 2438 1622 C 254 LYS H C 254 LYS HBy 1.0 . 3.24 2439 1622 C 254 LYS H C 254 LYS HBx 1.0 . 3.24 2440 1623 C 254 LYS H C 254 LYS HDx 1.0 . 4.66 2441 1623 C 254 LYS HDy C 254 LYS H 1.0 . 4.66 2442 1624 C 254 LYS H C 254 LYS HEx 1.0 . 4.66 2443 1624 C 254 LYS H C 254 LYS HEy 1.0 . 4.66 2444 1625 C 254 LYS H C 254 LYS HGx 1.0 . 3.68 2445 1625 C 254 LYS H C 254 LYS HGy 1.0 . 3.68 2446 1626 C 255 LEU H C 254 LYS H 1.0 . 3.84 2447 1627 C 258 ILE HB C 254 LYS H 1.0 . 5.50 2448 1628 C 258 ILE HG21 C 254 LYS H 1.0 . 4.46 2449 1629 C 254 LYS HA C 254 LYS HGx 1.0 . 3.99 2450 1630 C 254 LYS HGy C 254 LYS HA 1.0 . 3.99 2451 1631 C 254 LYS HA C 254 LYS HEx 1.0 . 5.50 2452 1631 C 254 LYS HEy C 254 LYS HA 1.0 . 5.50 2453 1632 C 254 LYS HA C 254 LYS HGx 1.0 . 3.46 2454 1632 C 254 LYS HGy C 254 LYS HA 1.0 . 3.46 2455 1633 C 259 GLN HE2x C 254 LYS HA 1.0 . 5.21 2456 1634 C 259 GLN HE2y C 254 LYS HA 1.0 . 4.38 2457 1635 C 254 LYS HA C 259 GLN HGx 1.0 . 4.26 2458 1635 C 259 GLN HGy C 254 LYS HA 1.0 . 4.26 2459 1636 C 254 LYS HDy C 254 LYS HBx 1.0 . 2.94 2460 1636 C 254 LYS HBx C 254 LYS HDx 1.0 . 2.94 2461 1637 C 254 LYS HBx C 254 LYS HEy 1.0 . 3.12 2462 1637 C 254 LYS HBx C 254 LYS HEx 1.0 . 3.12 2463 1638 C 254 LYS HDy C 254 LYS HBy 1.0 . 2.94 2464 1638 C 254 LYS HBy C 254 LYS HDx 1.0 . 2.94 2465 1639 C 254 LYS HEy C 254 LYS HBy 1.0 . 3.12 2466 1639 C 254 LYS HBy C 254 LYS HEx 1.0 . 3.12 2467 1640 C 254 LYS HEy C 254 LYS HGx 1.0 . 3.84 2468 1640 C 254 LYS HEx C 254 LYS HGx 1.0 . 3.84 2469 1641 C 254 LYS HEy C 254 LYS HGy 1.0 . 3.84 2470 1641 C 254 LYS HGy C 254 LYS HEx 1.0 . 3.84 2471 1642 C 254 LYS HBy C 254 LYS HDx 1.0 . 2.51 2472 1642 C 254 LYS HBx C 254 LYS HDx 1.0 . 2.51 2473 1642 C 254 LYS HDy C 254 LYS HBy 1.0 . 2.51 2474 1642 C 254 LYS HDy C 254 LYS HBx 1.0 . 2.51 2475 1643 C 254 LYS HBy C 254 LYS HEx 1.0 . 2.60 2476 1643 C 254 LYS HEy C 254 LYS HBy 1.0 . 2.60 2477 1643 C 254 LYS HBx C 254 LYS HEy 1.0 . 2.60 2478 1643 C 254 LYS HBx C 254 LYS HEx 1.0 . 2.60 2479 1644 C 254 LYS HBy C 254 LYS HGx 1.0 . 2.34 2480 1644 C 254 LYS HBx C 254 LYS HGx 1.0 . 2.34 2481 1644 C 254 LYS HGy C 254 LYS HBy 1.0 . 2.34 2482 1644 C 254 LYS HBx C 254 LYS HGy 1.0 . 2.34 2483 1645 C 254 LYS HDx C 254 LYS HEx 1.0 . 2.79 2484 1645 C 254 LYS HDy C 254 LYS HEx 1.0 . 2.79 2485 1645 C 254 LYS HEy C 254 LYS HDx 1.0 . 2.79 2486 1645 C 254 LYS HDy C 254 LYS HEy 1.0 . 2.79 2487 1646 C 254 LYS HEx C 254 LYS HGx 1.0 . 3.29 2488 1646 C 254 LYS HEy C 254 LYS HGx 1.0 . 3.29 2489 1646 C 254 LYS HGy C 254 LYS HEx 1.0 . 3.29 2490 1646 C 254 LYS HEy C 254 LYS HGy 1.0 . 3.29 2491 1647 C 255 LEU H C 255 LEU HBx 1.0 . 3.97 2492 1648 C 255 LEU H C 255 LEU HBy 1.0 . 3.71 2493 1649 C 255 LEU H C 255 LEU HG 1.0 . 3.68 2494 1650 C 255 LEU HD11 C 255 LEU H 1.0 . 4.77 2495 1651 C 258 ILE HB C 255 LEU H 1.0 . 4.16 2496 1652 C 258 ILE HD11 C 255 LEU H 1.0 . 5.14 2497 1653 C 255 LEU H C 258 ILE HG1y 1.0 . 4.31 2498 1653 C 258 ILE HG1x C 255 LEU H 1.0 . 4.31 2499 1654 C 258 ILE HG21 C 255 LEU H 1.0 . 4.90 2500 1655 C 255 LEU HD11 C 255 LEU HA 1.0 . 4.73 2501 1656 C 255 LEU HD21 C 255 LEU HA 1.0 . 3.45 2502 1657 C 255 LEU HA C 258 ILE H 1.0 . 5.50 2503 1658 C 255 LEU HA C 258 ILE HG1y 1.0 . 5.17 2504 1658 C 258 ILE HG1x C 255 LEU HA 1.0 . 5.17 2505 1659 C 255 LEU HD11 C 255 LEU HBx 1.0 . 3.29 2506 1660 C 255 LEU HD21 C 255 LEU HBx 1.0 . 3.28 2507 1661 C 255 LEU HBx C 258 ILE H 1.0 . 4.97 2508 1662 C 258 ILE HB C 255 LEU HBx 1.0 . 5.03 2509 1663 C 255 LEU HBx C 258 ILE HG1y 1.0 . 4.15 2510 1663 C 258 ILE HG1x C 255 LEU HBx 1.0 . 4.15 2511 1664 C 255 LEU HBx C 259 GLN H 1.0 . 5.23 2512 1665 C 255 LEU HBy C 256 LYS H 1.0 . 5.14 2513 1666 C 255 LEU HBy C 258 ILE H 1.0 . 4.73 2514 1667 C 258 ILE HB C 255 LEU HBy 1.0 . 5.06 2515 1668 C 258 ILE HG1x C 255 LEU HBy 1.0 . 4.79 2516 1669 C 255 LEU HBy C 258 ILE HG1y 1.0 . 4.79 2517 1670 C 258 ILE HD11 C 255 LEU HBy 1.0 . 5.03 2518 1671 C 255 LEU HBy C 258 ILE HG1y 1.0 . 4.13 2519 1671 C 258 ILE HG1x C 255 LEU HBy 1.0 . 4.13 2520 1672 C 255 LEU HBy C 259 GLN H 1.0 . 5.50 2521 1673 C 258 ILE HB C 255 LEU HG 1.0 . 5.12 2522 1674 C 255 LEU HG C 258 ILE HG1y 1.0 . 5.21 2523 1674 C 258 ILE HG1x C 255 LEU HG 1.0 . 5.21 2524 1675 C 255 LEU HD11 C 257 TRP HD1 1.0 . 4.64 2525 1676 C 255 LEU HD11 C 257 TRP HE1 1.0 . 4.01 2526 1677 C 255 LEU HD11 C 257 TRP HZ2 1.0 . 3.88 2527 1678 C 255 LEU HD11 C 258 ILE H 1.0 . 5.50 2528 1679 C 255 LEU HD11 C 258 ILE HG1y 1.0 . 3.64 2529 1679 C 255 LEU HD11 C 258 ILE HG1x 1.0 . 3.64 2530 1680 C 255 LEU HD21 C 256 LYS H 1.0 . 5.32 2531 1681 C 255 LEU HD21 C 257 TRP HD1 1.0 . 3.35 2532 1682 C 255 LEU HD21 C 257 TRP HE1 1.0 . 4.01 2533 1683 C 255 LEU HD21 C 257 TRP HZ2 1.0 . 5.24 2534 1684 C 255 LEU HD21 C 258 ILE H 1.0 . 5.50 2535 1685 C 255 LEU HD21 C 258 ILE HG1y 1.0 . 4.06 2536 1685 C 255 LEU HD21 C 258 ILE HG1x 1.0 . 4.06 2537 1686 C 256 LYS H C 256 LYS HDy 1.0 . 5.34 2538 1686 C 256 LYS H C 256 LYS HDx 1.0 . 5.34 2539 1687 C 256 LYS HDx C 256 LYS HA 1.0 . 4.43 2540 1688 C 256 LYS HA C 256 LYS HDy 1.0 . 4.43 2541 1689 C 256 LYS HA C 256 LYS HGx 1.0 . 4.15 2542 1690 C 256 LYS HA C 256 LYS HGy 1.0 . 4.15 2543 1691 C 256 LYS HA C 256 LYS HDy 1.0 . 3.84 2544 1691 C 256 LYS HDx C 256 LYS HA 1.0 . 3.84 2545 1692 C 256 LYS HA C 256 LYS HEx 1.0 . 4.77 2546 1692 C 256 LYS HA C 256 LYS HEy 1.0 . 4.77 2547 1693 C 256 LYS HA C 256 LYS HGx 1.0 . 3.62 2548 1693 C 256 LYS HA C 256 LYS HGy 1.0 . 3.62 2549 1694 C 259 GLN H C 256 LYS HA 1.0 . 4.77 2550 1695 C 256 LYS HA C 259 GLN HGx 1.0 . 4.26 2551 1695 C 259 GLN HGy C 256 LYS HA 1.0 . 4.26 2552 1696 C 256 LYS HA C 260 GLU H 1.0 . 5.02 2553 1697 C 256 LYS HEy C 256 LYS HGx 1.0 . 4.10 2554 1697 C 256 LYS HEx C 256 LYS HGx 1.0 . 4.10 2555 1698 C 256 LYS HGy C 256 LYS HEx 1.0 . 4.10 2556 1698 C 256 LYS HEy C 256 LYS HGy 1.0 . 4.10 2557 1699 C 256 LYS HDx C 256 LYS HBy 1.0 . 3.62 2558 1699 C 256 LYS HDx C 256 LYS HBx 1.0 . 3.62 2559 1700 C 256 LYS HBx C 256 LYS HDy 1.0 . 3.62 2560 1700 C 256 LYS HBy C 256 LYS HDy 1.0 . 3.62 2561 1701 C 256 LYS HBx C 256 LYS HDy 1.0 . 3.14 2562 1701 C 256 LYS HBy C 256 LYS HDy 1.0 . 3.14 2563 1701 C 256 LYS HDx C 256 LYS HBx 1.0 . 3.14 2564 1701 C 256 LYS HDx C 256 LYS HBy 1.0 . 3.14 2565 1702 C 256 LYS HBy C 256 LYS HEx 1.0 . 4.26 2566 1702 C 256 LYS HBx C 256 LYS HEx 1.0 . 4.26 2567 1702 C 256 LYS HEy C 256 LYS HBx 1.0 . 4.26 2568 1702 C 256 LYS HEy C 256 LYS HBy 1.0 . 4.26 2569 1703 C 257 TRP H C 256 LYS HBx 1.0 . 4.07 2570 1703 C 256 LYS HBy C 257 TRP H 1.0 . 4.07 2571 1704 C 257 TRP H C 256 LYS HDy 1.0 . 5.13 2572 1704 C 256 LYS HDx C 257 TRP H 1.0 . 5.13 2573 1705 C 260 GLU HGx C 256 LYS HDy 1.0 . 4.86 2574 1705 C 256 LYS HDx C 260 GLU HGx 1.0 . 4.86 2575 1706 C 256 LYS HDx C 256 LYS HGx 1.0 . 2.35 2576 1706 C 256 LYS HDy C 256 LYS HGx 1.0 . 2.35 2577 1706 C 256 LYS HGy C 256 LYS HDy 1.0 . 2.35 2578 1706 C 256 LYS HDx C 256 LYS HGy 1.0 . 2.35 2579 1707 C 257 TRP H C 256 LYS HGx 1.0 . 5.34 2580 1707 C 256 LYS HGy C 257 TRP H 1.0 . 5.34 2581 1708 C 260 GLU HGx C 256 LYS HGx 1.0 . 4.56 2582 1708 C 256 LYS HGy C 260 GLU HGx 1.0 . 4.56 2583 1709 C 260 GLU HGy C 256 LYS HGx 1.0 . 4.21 2584 1709 C 256 LYS HGy C 260 GLU HGy 1.0 . 4.21 2585 1710 C 257 TRP HBy C 257 TRP H 1.0 . 4.19 2586 1711 C 257 TRP HE1 C 257 TRP H 1.0 . 5.39 2587 1712 C 258 ILE H C 257 TRP H 1.0 . 4.41 2588 1713 C 260 GLU H C 257 TRP HA 1.0 . 4.95 2589 1714 C 257 TRP HA C 260 GLU HBx 1.0 . 4.74 2590 1715 C 257 TRP HA C 260 GLU HBy 1.0 . 4.76 2591 1716 C 260 GLU HGx C 257 TRP HA 1.0 . 5.22 2592 1717 C 260 GLU HGy C 257 TRP HA 1.0 . 5.10 2593 1718 C 257 TRP HA C 261 TYR H 1.0 . 5.49 2594 1719 C 257 TRP HBy C 257 TRP HD1 1.0 . 3.45 2595 1720 C 257 TRP HE3 C 258 ILE HD11 1.0 . 4.83 2596 1721 C 257 TRP HZ2 C 258 ILE HG1y 1.0 . 4.30 2597 1721 C 257 TRP HZ2 C 258 ILE HG1x 1.0 . 4.30 2598 1722 C 258 ILE HB C 258 ILE H 1.0 . 4.01 2599 1723 C 258 ILE HG1x C 258 ILE H 1.0 . 4.54 2600 1724 C 258 ILE H C 258 ILE HG1y 1.0 . 4.54 2601 1725 C 258 ILE HD11 C 258 ILE H 1.0 . 4.46 2602 1726 C 258 ILE H C 258 ILE HG1y 1.0 . 3.80 2603 1726 C 258 ILE HG1x C 258 ILE H 1.0 . 3.80 2604 1727 C 258 ILE HG21 C 258 ILE H 1.0 . 4.40 2605 1728 C 258 ILE H C 259 GLN H 1.0 . 4.07 2606 1729 C 258 ILE H C 260 GLU H 1.0 . 5.35 2607 1730 C 258 ILE HD11 C 258 ILE HA 1.0 . 3.75 2608 1731 C 258 ILE HA C 258 ILE HG1y 1.0 . 3.73 2609 1731 C 258 ILE HG1x C 258 ILE HA 1.0 . 3.73 2610 1732 C 258 ILE HG21 C 258 ILE HA 1.0 . 3.77 2611 1733 C 261 TYR HD% C 258 ILE HA 1.0 . 5.02 2612 1734 C 258 ILE HB C 258 ILE HD11 1.0 . 3.46 2613 1735 C 258 ILE HB C 259 GLN H 1.0 . 4.13 2614 1736 C 262 LEU HD11 C 258 ILE HB 1.0 . 4.39 2615 1737 C 262 LEU H C 258 ILE HD11 1.0 . 5.08 2616 1738 C 259 GLN H C 258 ILE HG1y 1.0 . 5.34 2617 1738 C 258 ILE HG1x C 259 GLN H 1.0 . 5.34 2618 1739 C 258 ILE HG1x C 258 ILE HG21 1.0 . 4.08 2619 1740 C 258 ILE HG21 C 258 ILE HG1y 1.0 . 4.08 2620 1741 C 258 ILE HG21 C 259 GLN H 1.0 . 4.51 2621 1742 C 258 ILE HG21 C 259 GLN HGx 1.0 . 5.49 2622 1742 C 259 GLN HGy C 258 ILE HG21 1.0 . 5.49 2623 1743 C 258 ILE HG21 C 261 TYR H 1.0 . 5.28 2624 1744 C 262 LEU H C 258 ILE HG21 1.0 . 4.88 2625 1745 C 259 GLN HE2x C 259 GLN H 1.0 . 5.36 2626 1746 C 259 GLN HE2y C 259 GLN H 1.0 . 4.86 2627 1747 C 259 GLN H C 259 GLN HBx 1.0 . 3.62 2628 1747 C 259 GLN HBy C 259 GLN H 1.0 . 3.62 2629 1748 C 259 GLN H C 259 GLN HGx 1.0 . 3.74 2630 1748 C 259 GLN HGy C 259 GLN H 1.0 . 3.74 2631 1749 C 259 GLN H C 260 GLU H 1.0 . 4.18 2632 1750 C 259 GLN HE2y C 259 GLN HA 1.0 . 5.03 2633 1751 C 259 GLN HA C 259 GLN HGx 1.0 . 3.99 2634 1751 C 259 GLN HA C 259 GLN HGy 1.0 . 3.99 2635 1752 C 259 GLN HA C 262 LEU H 1.0 . 4.98 2636 1753 C 262 LEU HD11 C 259 GLN HA 1.0 . 4.13 2637 1754 C 263 GLU H C 259 GLN HA 1.0 . 5.30 2638 1755 C 262 LEU HD11 C 259 GLN HE2x 1.0 . 4.76 2639 1756 C 259 GLN HE2x C 259 GLN HBx 1.0 . 5.00 2640 1756 C 259 GLN HE2x C 259 GLN HBy 1.0 . 5.00 2641 1757 C 259 GLN HE2y C 259 GLN HGx 1.0 . 4.05 2642 1757 C 259 GLN HE2y C 259 GLN HGy 1.0 . 4.05 2643 1758 D 327 PRO HBx C 259 GLN HGy 1.0 . 5.50 2644 1758 D 327 PRO HBx C 259 GLN HGx 1.0 . 5.50 2645 1759 C 259 GLN HGy D 327 PRO HBy 1.0 . 5.50 2646 1759 C 259 GLN HGx D 327 PRO HBy 1.0 . 5.50 2647 1760 C 259 GLN HGy D 327 PRO HBy 1.0 . 4.78 2648 1760 D 327 PRO HBx C 259 GLN HGx 1.0 . 4.78 2649 1760 D 327 PRO HBx C 259 GLN HGy 1.0 . 4.78 2650 1760 C 259 GLN HGx D 327 PRO HBy 1.0 . 4.78 2651 1761 C 260 GLU H C 260 GLU HGx 1.0 . 4.06 2652 1762 C 260 GLU H C 260 GLU HGy 1.0 . 4.27 2653 1763 C 260 GLU H C 261 TYR H 1.0 . 4.18 2654 1764 C 260 GLU HGx C 260 GLU HA 1.0 . 4.20 2655 1765 C 260 GLU HGy C 260 GLU HA 1.0 . 3.90 2656 1766 C 263 GLU H C 260 GLU HA 1.0 . 4.63 2657 1767 C 260 GLU HA C 263 GLU HBx 1.0 . 4.05 2658 1768 C 260 GLU HA C 263 GLU HBy 1.0 . 4.04 2659 1769 C 260 GLU HA C 264 LYS H 1.0 . 5.28 2660 1770 C 260 GLU HBx C 261 TYR H 1.0 . 4.84 2661 1771 C 260 GLU HGy C 260 GLU HBy 1.0 . 2.42 2662 1772 C 261 TYR HBx C 261 TYR H 1.0 . 3.77 2663 1773 C 261 TYR HBy C 261 TYR H 1.0 . 3.91 2664 1774 C 261 TYR HD% C 261 TYR H 1.0 . 4.77 2665 1775 C 262 LEU H C 261 TYR H 1.0 . 4.25 2666 1776 C 261 TYR H C 264 LYS HGx 1.0 . 5.45 2667 1777 C 261 TYR HD% C 261 TYR HA 1.0 . 3.50 2668 1778 C 262 LEU H C 261 TYR HBx 1.0 . 4.27 2669 1779 C 262 LEU H C 261 TYR HBy 1.0 . 4.55 2670 1780 C 261 TYR HD% C 262 LEU HG 1.0 . 3.98 2671 1781 C 261 TYR HE% C 265 CYS HBx 1.0 . 4.60 2672 1782 C 262 LEU H C 262 LEU HG 1.0 . 3.66 2673 1783 C 262 LEU HD11 C 262 LEU H 1.0 . 4.39 2674 1784 C 262 LEU HD21 C 262 LEU H 1.0 . 4.19 2675 1785 C 263 GLU H C 262 LEU H 1.0 . 4.15 2676 1786 C 262 LEU HA C 262 LEU HG 1.0 . 4.22 2677 1787 C 262 LEU HA C 262 LEU HD11 1.0 . 4.40 2678 1788 C 262 LEU HA C 262 LEU HD21 1.0 . 3.30 2679 1789 C 262 LEU HA C 265 CYS H 1.0 . 4.29 2680 1790 C 262 LEU HA C 266 LEU H 1.0 . 5.30 2681 1791 C 262 LEU HD11 C 262 LEU HBx 1.0 . 3.92 2682 1792 C 262 LEU HD21 C 262 LEU HBx 1.0 . 3.28 2683 1793 C 263 GLU H C 262 LEU HBx 1.0 . 5.19 2684 1794 C 262 LEU HD11 C 262 LEU HBy 1.0 . 3.82 2685 1795 C 262 LEU HD21 C 262 LEU HBy 1.0 . 3.84 2686 1796 C 263 GLU H C 262 LEU HBy 1.0 . 5.27 2687 1797 C 262 LEU HD11 C 263 GLU H 1.0 . 4.79 2688 1798 C 263 GLU H C 263 GLU HBx 1.0 . 3.68 2689 1799 C 263 GLU H C 263 GLU HBy 1.0 . 3.93 2690 1800 C 263 GLU HGx C 263 GLU H 1.0 . 4.16 2691 1801 C 263 GLU HGy C 263 GLU H 1.0 . 4.12 2692 1802 C 263 GLU H C 264 LYS H 1.0 . 4.06 2693 1803 C 263 GLU HGy C 263 GLU HA 1.0 . 4.00 2694 1804 C 266 LEU H C 263 GLU HA 1.0 . 4.61 2695 1805 C 263 GLU HA C 266 LEU HD11 1.0 . 3.81 2696 1805 C 266 LEU HD21 C 263 GLU HA 1.0 . 3.81 2697 1806 C 263 GLU HBx C 264 LYS H 1.0 . 4.34 2698 1807 C 263 GLU HBy C 264 LYS H 1.0 . 4.54 2699 1808 C 263 GLU HGx C 264 LYS H 1.0 . 5.10 2700 1809 C 263 GLU HGy C 264 LYS H 1.0 . 4.83 2701 1810 C 264 LYS H C 264 LYS HBx 1.0 . 3.85 2702 1811 C 264 LYS H C 264 LYS HBy 1.0 . 3.74 2703 1812 C 264 LYS H C 264 LYS HGx 1.0 . 4.10 2704 1813 C 264 LYS H C 264 LYS HGy 1.0 . 4.13 2705 1814 C 264 LYS H C 264 LYS HDx 1.0 . 4.45 2706 1814 C 264 LYS H C 264 LYS HDy 1.0 . 4.45 2707 1815 C 264 LYS H C 264 LYS HEx 1.0 . 5.21 2708 1815 C 264 LYS H C 264 LYS HEy 1.0 . 5.21 2709 1816 C 265 CYS H C 264 LYS H 1.0 . 3.43 2710 1817 C 264 LYS HGy C 264 LYS HA 1.0 . 3.98 2711 1818 C 264 LYS HA C 264 LYS HDx 1.0 . 3.61 2712 1818 C 264 LYS HDy C 264 LYS HA 1.0 . 3.61 2713 1819 C 264 LYS HBx C 264 LYS HDx 1.0 . 3.40 2714 1819 C 264 LYS HBx C 264 LYS HDy 1.0 . 3.40 2715 1820 C 264 LYS HBx C 264 LYS HEx 1.0 . 5.31 2716 1820 C 264 LYS HBx C 264 LYS HEy 1.0 . 5.31 2717 1821 C 265 CYS H C 264 LYS HBx 1.0 . 4.60 2718 1822 C 264 LYS HBy C 264 LYS HDx 1.0 . 3.52 2719 1822 C 264 LYS HBy C 264 LYS HDy 1.0 . 3.52 2720 1823 C 264 LYS HBy C 264 LYS HEx 1.0 . 3.98 2721 1823 C 264 LYS HBy C 264 LYS HEy 1.0 . 3.98 2722 1824 C 264 LYS HGx C 264 LYS HDx 1.0 . 2.40 2723 1824 C 264 LYS HGx C 264 LYS HDy 1.0 . 2.40 2724 1825 C 264 LYS HGx C 264 LYS HEx 1.0 . 3.30 2725 1825 C 264 LYS HGx C 264 LYS HEy 1.0 . 3.30 2726 1826 C 264 LYS HGy C 264 LYS HDx 1.0 . 2.40 2727 1826 C 264 LYS HGy C 264 LYS HDy 1.0 . 2.40 2728 1827 C 264 LYS HGy C 264 LYS HEx 1.0 . 3.30 2729 1827 C 264 LYS HGy C 264 LYS HEy 1.0 . 3.30 2730 1828 C 265 CYS H C 264 LYS HGy 1.0 . 5.49 2731 1829 C 264 LYS HDx C 264 LYS HEx 1.0 . 2.92 2732 1829 C 264 LYS HDy C 264 LYS HEx 1.0 . 2.92 2733 1829 C 264 LYS HEy C 264 LYS HDx 1.0 . 2.92 2734 1829 C 264 LYS HDy C 264 LYS HEy 1.0 . 2.92 2735 1830 C 265 CYS H C 265 CYS HBx 1.0 . 3.90 2736 1831 C 265 CYS H C 265 CYS HBy 1.0 . 3.97 2737 1832 C 265 CYS H C 266 LEU H 1.0 . 3.92 2738 1833 C 265 CYS H C 268 LYS HDx 1.0 . 4.99 2739 1833 C 265 CYS H C 268 LYS HDy 1.0 . 4.99 2740 1834 C 265 CYS H C 268 LYS HGx 1.0 . 4.36 2741 1834 C 265 CYS H C 268 LYS HGy 1.0 . 4.36 2742 1835 C 265 CYS HA C 268 LYS H 1.0 . 4.69 2743 1836 C 266 LEU H C 265 CYS HBx 1.0 . 5.38 2744 1837 C 266 LEU H C 265 CYS HBy 1.0 . 5.49 2745 1838 C 266 LEU H C 266 LEU HBx 1.0 . 4.16 2746 1839 C 266 LEU H C 266 LEU HBy 1.0 . 4.16 2747 1840 C 266 LEU HG C 266 LEU H 1.0 . 4.18 2748 1841 C 266 LEU H C 266 LEU HBy 1.0 . 3.65 2749 1841 C 266 LEU H C 266 LEU HBx 1.0 . 3.65 2750 1842 C 266 LEU H C 266 LEU HD11 1.0 . 4.09 2751 1843 C 266 LEU HD21 C 266 LEU H 1.0 . 4.09 2752 1844 C 266 LEU H C 267 ASN H 1.0 . 4.24 2753 1845 C 266 LEU HA C 266 LEU HD11 1.0 . 3.96 2754 1845 C 266 LEU HD21 C 266 LEU HA 1.0 . 3.96 2755 1846 C 266 LEU HBx C 267 ASN H 1.0 . 4.43 2756 1847 C 267 ASN H C 266 LEU HBy 1.0 . 4.43 2757 1848 C 266 LEU HG C 266 LEU HBy 1.0 . 2.41 2758 1848 C 266 LEU HG C 266 LEU HBx 1.0 . 2.41 2759 1849 C 266 LEU HBx C 266 LEU HD11 1.0 . 2.67 2760 1849 C 266 LEU HBy C 266 LEU HD11 1.0 . 2.67 2761 1849 C 266 LEU HD21 C 266 LEU HBy 1.0 . 2.67 2762 1849 C 266 LEU HD21 C 266 LEU HBx 1.0 . 2.67 2763 1850 C 267 ASN H C 266 LEU HD11 1.0 . 4.24 2764 1850 C 266 LEU HD21 C 267 ASN H 1.0 . 4.24 2765 1851 C 267 ASN H C 267 ASN HBx 1.0 . 4.14 2766 1852 C 267 ASN H C 267 ASN HBy 1.0 . 4.14 2767 1853 C 267 ASN H C 267 ASN HBy 1.0 . 3.61 2768 1853 C 267 ASN H C 267 ASN HBx 1.0 . 3.61 2769 1854 C 268 LYS H C 267 ASN H 1.0 . 4.33 2770 1855 C 267 ASN HA C 267 ASN HD2x 1.0 . 4.29 2771 1856 C 267 ASN HA C 267 ASN HD2y 1.0 . 4.29 2772 1857 C 268 LYS H C 267 ASN HBx 1.0 . 5.21 2773 1858 C 268 LYS H C 267 ASN HBy 1.0 . 5.21 2774 1859 C 268 LYS H C 267 ASN HBy 1.0 . 4.35 2775 1859 C 268 LYS H C 267 ASN HBx 1.0 . 4.35 2776 1860 C 267 ASN HBy C 268 LYS HBy 1.0 . 4.92 2777 1860 C 267 ASN HBx C 268 LYS HBy 1.0 . 4.92 2778 1860 C 268 LYS HBx C 267 ASN HBy 1.0 . 4.92 2779 1860 C 267 ASN HBx C 268 LYS HBx 1.0 . 4.92 2780 1861 C 268 LYS H C 268 LYS HBy 1.0 . 3.49 2781 1861 C 268 LYS H C 268 LYS HBx 1.0 . 3.49 2782 1862 C 268 LYS H C 268 LYS HGx 1.0 . 4.08 2783 1862 C 268 LYS HGy C 268 LYS H 1.0 . 4.08 2784 1863 C 268 LYS HA C 268 LYS HDx 1.0 . 3.92 2785 1863 C 268 LYS HDy C 268 LYS HA 1.0 . 3.92 2786 1864 C 268 LYS HA C 268 LYS HEx 1.0 . 5.50 2787 1864 C 268 LYS HA C 268 LYS HEy 1.0 . 5.50 2788 1865 C 268 LYS HA C 268 LYS HGx 1.0 . 4.09 2789 1865 C 268 LYS HGy C 268 LYS HA 1.0 . 4.09 2790 1866 C 268 LYS HBx C 268 LYS HEy 1.0 . 5.10 2791 1866 C 268 LYS HBx C 268 LYS HEx 1.0 . 5.10 2792 1867 C 268 LYS HEy C 268 LYS HBy 1.0 . 5.10 2793 1867 C 268 LYS HBy C 268 LYS HEx 1.0 . 5.10 2794 1868 C 268 LYS HBy C 268 LYS HEx 1.0 . 4.34 2795 1868 C 268 LYS HBx C 268 LYS HEx 1.0 . 4.34 2796 1868 C 268 LYS HEy C 268 LYS HBy 1.0 . 4.34 2797 1868 C 268 LYS HBx C 268 LYS HEy 1.0 . 4.34 2798 1869 C 268 LYS HDy C 268 LYS HGx 1.0 . 2.75 2799 1869 C 268 LYS HDx C 268 LYS HGx 1.0 . 2.75 2800 1869 C 268 LYS HGy C 268 LYS HDx 1.0 . 2.75 2801 1869 C 268 LYS HDy C 268 LYS HGy 1.0 . 2.75 2802 1870 C 268 LYS HEx C 268 LYS HGx 1.0 . 3.80 2803 1870 C 268 LYS HEy C 268 LYS HGx 1.0 . 3.80 2804 1870 C 268 LYS HGy C 268 LYS HEx 1.0 . 3.80 2805 1870 C 268 LYS HGy C 268 LYS HEy 1.0 . 3.80 2806 1871 D 302 GLU H D 302 GLU HBx 1.0 . 3.52 2807 1872 D 302 GLU H D 302 GLU HBy 1.0 . 3.52 2808 1873 D 302 GLU H D 302 GLU HBx 1.0 . 3.05 2809 1873 D 302 GLU H D 302 GLU HBy 1.0 . 3.05 2810 1874 D 302 GLU H D 302 GLU HGx 1.0 . 3.68 2811 1874 D 302 GLU H D 302 GLU HGy 1.0 . 3.68 2812 1875 D 302 GLU HGy D 302 GLU HBx 1.0 . 2.92 2813 1875 D 302 GLU HBx D 302 GLU HGx 1.0 . 2.92 2814 1876 D 302 GLU HBy D 302 GLU HGy 1.0 . 2.92 2815 1876 D 302 GLU HBy D 302 GLU HGx 1.0 . 2.92 2816 1877 D 302 GLU HBy D 302 GLU HGx 1.0 . 2.34 2817 1877 D 302 GLU HBx D 302 GLU HGx 1.0 . 2.34 2818 1877 D 302 GLU HGy D 302 GLU HBx 1.0 . 2.34 2819 1877 D 302 GLU HBy D 302 GLU HGy 1.0 . 2.34 2820 1878 D 304 ILE H D 303 GLY HAx 1.0 . 3.16 2821 1878 D 303 GLY HAy D 304 ILE H 1.0 . 3.16 2822 1879 D 304 ILE H D 304 ILE HB 1.0 . 3.40 2823 1880 D 304 ILE H D 304 ILE HG1x 1.0 . 3.92 2824 1880 D 304 ILE H D 304 ILE HG1y 1.0 . 3.92 2825 1881 D 304 ILE H D 304 ILE HG21 1.0 . 3.94 2826 1882 D 304 ILE HA D 304 ILE HD11 1.0 . 4.84 2827 1883 D 304 ILE HD11 D 305 SER H 1.0 . 5.15 2828 1884 D 304 ILE HG21 D 304 ILE HD11 1.0 . 2.40 2829 1885 D 306 ILE H D 305 SER HBx 1.0 . 4.29 2830 1885 D 305 SER HBy D 306 ILE H 1.0 . 4.29 2831 1886 D 306 ILE H D 306 ILE HB 1.0 . 3.51 2832 1887 D 306 ILE H D 306 ILE HG1y 1.0 . 4.22 2833 1887 D 306 ILE H D 306 ILE HG1x 1.0 . 4.22 2834 1888 D 306 ILE H D 306 ILE HG21 1.0 . 4.08 2835 1889 D 306 ILE HA D 306 ILE HD11 1.0 . 4.38 2836 1890 D 306 ILE HA D 307 TYR H 1.0 . 2.86 2837 1891 D 306 ILE HB D 306 ILE HD11 1.0 . 4.24 2838 1892 D 306 ILE HB D 307 TYR H 1.0 . 5.50 2839 1893 D 307 TYR HD% D 306 ILE HB 1.0 . 5.50 2840 1894 D 307 TYR HD% D 306 ILE HD11 1.0 . 5.50 2841 1895 D 307 TYR HE% D 306 ILE HD11 1.0 . 5.50 2842 1896 D 307 TYR H D 306 ILE HG1y 1.0 . 4.54 2843 1896 D 306 ILE HG1x D 307 TYR H 1.0 . 4.54 2844 1897 D 306 ILE HG1x D 306 ILE HG21 1.0 . 3.89 2845 1898 D 306 ILE HG21 D 306 ILE HG1y 1.0 . 3.89 2846 1899 D 306 ILE HG21 D 306 ILE HD11 1.0 . 2.40 2847 1900 D 306 ILE HG21 D 307 TYR H 1.0 . 3.77 2848 1901 D 307 TYR HBx D 307 TYR H 1.0 . 3.32 2849 1902 D 307 TYR HBy D 307 TYR H 1.0 . 3.47 2850 1903 D 307 TYR HD% D 307 TYR H 1.0 . 4.03 2851 1904 D 307 TYR HD% D 307 TYR HA 1.0 . 2.88 2852 1905 D 307 TYR HD% D 308 THR H 1.0 . 4.86 2853 1906 D 308 THR H D 308 THR HG21 1.0 . 5.50 2854 1907 D 308 THR HB D 309 SER H 1.0 . 5.01 2855 1908 D 311 ASN H D 310 ASP HBx 1.0 . 4.24 2856 1908 D 310 ASP HBy D 311 ASN H 1.0 . 4.24 2857 1909 D 312 TYR HD% D 312 TYR H 1.0 . 4.57 2858 1910 D 312 TYR H D 313 THR H 1.0 . 4.30 2859 1911 D 312 TYR HD% D 312 TYR HA 1.0 . 2.94 2860 1912 D 312 TYR HBx D 313 THR H 1.0 . 3.93 2861 1913 D 313 THR H D 312 TYR HBy 1.0 . 5.50 2862 1914 D 312 TYR HBy D 314 GLU H 1.0 . 4.94 2863 1915 D 312 TYR HD% D 313 THR H 1.0 . 4.36 2864 1916 D 313 THR H D 313 THR HB 1.0 . 3.89 2865 1917 D 313 THR H D 313 THR HG21 1.0 . 3.81 2866 1918 D 313 THR H D 314 GLU H 1.0 . 4.17 2867 1919 D 314 GLU H D 313 THR HG21 1.0 . 4.22 2868 1920 D 313 THR HG21 D 315 GLU H 1.0 . 4.84 2869 1921 D 314 GLU H D 314 GLU HBx 1.0 . 3.51 2870 1922 D 314 GLU H D 314 GLU HBy 1.0 . 3.31 2871 1923 D 314 GLU H D 314 GLU HGx 1.0 . 3.66 2872 1923 D 314 GLU H D 314 GLU HGy 1.0 . 3.66 2873 1924 D 314 GLU HA D 314 GLU HGx 1.0 . 4.25 2874 1924 D 314 GLU HGy D 314 GLU HA 1.0 . 4.25 2875 1925 D 314 GLU HBx D 314 GLU HGx 1.0 . 2.55 2876 1925 D 314 GLU HBx D 314 GLU HGy 1.0 . 2.55 2877 1926 D 314 GLU HBy D 314 GLU HGx 1.0 . 2.65 2878 1926 D 314 GLU HBy D 314 GLU HGy 1.0 . 2.65 2879 1927 D 315 GLU HA D 315 GLU HGx 1.0 . 4.21 2880 1927 D 315 GLU HA D 315 GLU HGy 1.0 . 4.21 2881 1928 D 315 GLU HA D 316 MET H 1.0 . 3.11 2882 1929 D 315 GLU HBx D 315 GLU HGx 1.0 . 2.65 2883 1929 D 315 GLU HGy D 315 GLU HBx 1.0 . 2.65 2884 1930 D 315 GLU HBy D 315 GLU HGx 1.0 . 2.65 2885 1930 D 315 GLU HGy D 315 GLU HBy 1.0 . 2.65 2886 1931 D 316 MET H D 316 MET HBx 1.0 . 3.29 2887 1931 D 316 MET H D 316 MET HBy 1.0 . 3.29 2888 1932 D 316 MET H D 316 MET HGx 1.0 . 4.27 2889 1932 D 316 MET H D 316 MET HGy 1.0 . 4.27 2890 1933 D 317 GLY H D 316 MET HGx 1.0 . 4.89 2891 1933 D 316 MET HGy D 317 GLY H 1.0 . 4.89 2892 1934 D 320 ASP H D 320 ASP HBx 1.0 . 4.15 2893 1935 D 320 ASP H D 320 ASP HBy 1.0 . 4.15 2894 1936 D 320 ASP HBx D 321 TYR H 1.0 . 5.50 2895 1937 D 320 ASP HBy D 321 TYR H 1.0 . 5.50 2896 1938 D 321 TYR H D 321 TYR HBx 1.0 . 3.41 2897 1939 D 321 TYR HBy D 321 TYR H 1.0 . 3.53 2898 1940 D 321 TYR HD% D 321 TYR H 1.0 . 3.99 2899 1941 D 321 TYR H D 322 ASP H 1.0 . 3.63 2900 1942 D 321 TYR HD% D 321 TYR HA 1.0 . 3.22 2901 1943 D 321 TYR HBx D 322 ASP H 1.0 . 4.40 2902 1944 D 321 TYR HBy D 322 ASP H 1.0 . 4.21 2903 1945 D 321 TYR HD% D 322 ASP HBx 1.0 . 5.50 2904 1946 D 321 TYR HD% D 322 ASP HBy 1.0 . 5.50 2905 1947 D 321 TYR HE% D 322 ASP HBx 1.0 . 5.50 2906 1948 D 321 TYR HE% D 322 ASP HBy 1.0 . 5.50 2907 1949 D 323 SER H D 323 SER HBx 1.0 . 3.61 2908 1949 D 323 SER H D 323 SER HBy 1.0 . 3.61 2909 1950 D 324 MET H D 325 LYS HGx 1.0 . 4.93 2910 1950 D 324 MET H D 325 LYS HGy 1.0 . 4.93 2911 1951 D 324 MET HA D 325 LYS H 1.0 . 3.29 2912 1952 D 325 LYS H D 325 LYS HBx 1.0 . 3.85 2913 1953 D 325 LYS H D 325 LYS HBy 1.0 . 3.85 2914 1954 D 325 LYS H D 325 LYS HBy 1.0 . 3.19 2915 1954 D 325 LYS H D 325 LYS HBx 1.0 . 3.19 2916 1955 D 325 LYS H D 325 LYS HGx 1.0 . 3.99 2917 1955 D 325 LYS HGy D 325 LYS H 1.0 . 3.99 2918 1956 D 325 LYS HA D 325 LYS HDx 1.0 . 5.06 2919 1956 D 325 LYS HA D 325 LYS HDy 1.0 . 5.06 2920 1957 D 325 LYS HA D 325 LYS HEx 1.0 . 5.50 2921 1957 D 325 LYS HA D 325 LYS HEy 1.0 . 5.50 2922 1958 D 325 LYS HA D 326 GLU H 1.0 . 2.75 2923 1959 D 325 LYS HBx D 325 LYS HDy 1.0 . 2.89 2924 1959 D 325 LYS HBx D 325 LYS HDx 1.0 . 2.89 2925 1960 D 325 LYS HBx D 326 GLU H 1.0 . 5.50 2926 1961 D 325 LYS HDy D 325 LYS HBy 1.0 . 2.89 2927 1961 D 325 LYS HBy D 325 LYS HDx 1.0 . 2.89 2928 1962 D 326 GLU H D 325 LYS HBy 1.0 . 5.50 2929 1963 D 325 LYS HBy D 325 LYS HDx 1.0 . 2.51 2930 1963 D 325 LYS HBx D 325 LYS HDx 1.0 . 2.51 2931 1963 D 325 LYS HDy D 325 LYS HBy 1.0 . 2.51 2932 1963 D 325 LYS HBx D 325 LYS HDy 1.0 . 2.51 2933 1964 D 325 LYS HBx D 325 LYS HEx 1.0 . 4.43 2934 1964 D 325 LYS HBy D 325 LYS HEx 1.0 . 4.43 2935 1964 D 325 LYS HEy D 325 LYS HBy 1.0 . 4.43 2936 1964 D 325 LYS HBx D 325 LYS HEy 1.0 . 4.43 2937 1965 D 326 GLU H D 325 LYS HGx 1.0 . 4.63 2938 1965 D 325 LYS HGy D 326 GLU H 1.0 . 4.63 2939 1966 D 327 PRO HDx D 326 GLU H 1.0 . 4.53 2940 1967 D 326 GLU H D 327 PRO HDy 1.0 . 4.53 2941 1968 D 326 GLU H D 327 PRO HDy 1.0 . 3.97 2942 1968 D 327 PRO HDx D 326 GLU H 1.0 . 3.97 2943 1969 D 327 PRO HA D 328 ALA H 1.0 . 2.80 2944 1970 D 328 ALA H D 327 PRO HBy 1.0 . 3.77 2945 1970 D 327 PRO HBx D 328 ALA H 1.0 . 3.77 2946 1971 D 329 PHE H D 327 PRO HBy 1.0 . 5.34 2947 1971 D 327 PRO HBx D 329 PHE H 1.0 . 5.34 2948 1972 D 328 ALA H D 327 PRO HGx 1.0 . 4.17 2949 1972 D 327 PRO HGy D 328 ALA H 1.0 . 4.17 2950 1973 D 328 ALA H D 328 ALA HB1 1.0 . 3.04 2951 1974 D 329 PHE H D 328 ALA HA 1.0 . 2.92 2952 1975 D 329 PHE H D 328 ALA HB1 1.0 . 3.62 2953 1976 D 329 PHE HA D 329 PHE HD% 1.0 . 3.44 2954 1977 D 329 PHE HBx D 330 ARG H 1.0 . 5.50 2955 1978 D 330 ARG H D 329 PHE HBy 1.0 . 5.50 2956 1979 D 329 PHE HD% D 330 ARG H 1.0 . 4.86 2957 1980 D 330 ARG H D 330 ARG HBx 1.0 . 3.56 2958 1980 D 330 ARG H D 330 ARG HBy 1.0 . 3.56 2959 1981 D 330 ARG H D 330 ARG HGx 1.0 . 4.05 2960 1981 D 330 ARG H D 330 ARG HGy 1.0 . 4.05 2961 1982 D 330 ARG HA D 330 ARG HDx 1.0 . 5.50 2962 1982 D 330 ARG HA D 330 ARG HDy 1.0 . 5.50 2963 1983 D 330 ARG HA D 331 GLU H 1.0 . 3.18 2964 1984 D 331 GLU H D 330 ARG HBx 1.0 . 4.48 2965 1984 D 330 ARG HBy D 331 GLU H 1.0 . 4.48 2966 1985 D 331 GLU H D 330 ARG HDx 1.0 . 5.14 2967 1985 D 330 ARG HDy D 331 GLU H 1.0 . 5.14 2968 1986 D 331 GLU H D 330 ARG HGx 1.0 . 4.73 2969 1986 D 330 ARG HGy D 331 GLU H 1.0 . 4.73 2970 1987 D 331 GLU H D 331 GLU HBx 1.0 . 4.18 2971 1988 D 331 GLU H D 331 GLU HBy 1.0 . 4.18 2972 1989 D 331 GLU H D 331 GLU HBx 1.0 . 3.54 2973 1989 D 331 GLU H D 331 GLU HBy 1.0 . 3.54 2974 1990 D 331 GLU H D 331 GLU HGx 1.0 . 4.46 2975 1990 D 331 GLU H D 331 GLU HGy 1.0 . 4.46 2976 1991 D 331 GLU HA D 331 GLU HGx 1.0 . 4.18 2977 1991 D 331 GLU HGy D 331 GLU HA 1.0 . 4.18 2978 1992 D 331 GLU HA D 332 GLU H 1.0 . 3.08 2979 1993 D 331 GLU HGy D 331 GLU HBx 1.0 . 2.88 2980 1993 D 331 GLU HBx D 331 GLU HGx 1.0 . 2.88 2981 1994 D 332 GLU H D 331 GLU HBx 1.0 . 3.81 2982 1995 D 331 GLU HBy D 331 GLU HGy 1.0 . 2.88 2983 1995 D 331 GLU HBy D 331 GLU HGx 1.0 . 2.88 2984 1996 D 331 GLU HBy D 332 GLU H 1.0 . 3.81 2985 1997 D 331 GLU HBx D 331 GLU HGx 1.0 . 2.30 2986 1997 D 331 GLU HBy D 331 GLU HGx 1.0 . 2.30 2987 1997 D 331 GLU HGy D 331 GLU HBx 1.0 . 2.30 2988 1997 D 331 GLU HBy D 331 GLU HGy 1.0 . 2.30 2989 1998 D 332 GLU H D 331 GLU HBx 1.0 . 3.31 2990 1998 D 331 GLU HBy D 332 GLU H 1.0 . 3.31 2991 1999 D 332 GLU H D 331 GLU HGx 1.0 . 4.29 2992 1999 D 331 GLU HGy D 332 GLU H 1.0 . 4.29 2993 2000 D 332 GLU HA D 332 GLU HGx 1.0 . 4.11 2994 2000 D 332 GLU HA D 332 GLU HGy 1.0 . 4.11 2995 2001 D 332 GLU HGy D 332 GLU HBx 1.0 . 2.82 2996 2001 D 332 GLU HBx D 332 GLU HGx 1.0 . 2.82 2997 2002 D 332 GLU HGy D 332 GLU HBy 1.0 . 2.82 2998 2002 D 332 GLU HBy D 332 GLU HGx 1.0 . 2.82 2999 2003 D 332 GLU HBx D 332 GLU HGx 1.0 . 2.31 3000 2003 D 332 GLU HGy D 332 GLU HBx 1.0 . 2.31 3001 2003 D 332 GLU HGy D 332 GLU HBy 1.0 . 2.31 3002 2003 D 332 GLU HBy D 332 GLU HGx 1.0 . 2.31 3003 2004 D 336 PHE H D 336 PHE HD% 1.0 . 5.03 3004 2005 D 336 PHE HD% D 336 PHE HA 1.0 . 3.64 3005 2006 D 338 LYS HA D 338 LYS HDx 1.0 . 5.32 3006 2006 D 338 LYS HA D 338 LYS HDy 1.0 . 5.32 3007 2007 D 338 LYS HA D 338 LYS HEx 1.0 . 5.50 3008 2007 D 338 LYS HA D 338 LYS HEy 1.0 . 5.50 3009 2008 D 338 LYS HDy D 338 LYS HBx 1.0 . 2.57 3010 2008 D 338 LYS HBx D 338 LYS HDx 1.0 . 2.57 3011 2009 D 338 LYS HEy D 338 LYS HBx 1.0 . 5.50 3012 2009 D 338 LYS HBx D 338 LYS HEx 1.0 . 5.50 3013 2010 D 338 LYS HDy D 338 LYS HBy 1.0 . 2.57 3014 2010 D 338 LYS HBy D 338 LYS HDx 1.0 . 2.57 3015 2011 D 338 LYS HEy D 338 LYS HBy 1.0 . 5.50 3016 2011 D 338 LYS HBy D 338 LYS HEx 1.0 . 5.50 3017 2012 D 338 LYS HBy D 338 LYS HEx 1.0 . 4.70 3018 2012 D 338 LYS HBx D 338 LYS HEx 1.0 . 4.70 3019 2012 D 338 LYS HEy D 338 LYS HBy 1.0 . 4.70 3020 2012 D 338 LYS HEy D 338 LYS HBx 1.0 . 4.70 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 7 TYR C A 8 ARG N A 8 ARG CA A 8 ARG C 1.0 -136.9 -60.7 PHI 2 2 A 8 ARG N A 8 ARG CA A 8 ARG C A 9 CYS N 1.0 113.3 160.8 PSI 3 3 A 8 ARG C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -140.0 -98.0 PHI 4 4 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 PRO N 1.0 134.0 176.0 PSI 5 5 A 10 PRO C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -97.8 -71.3 PHI 6 6 A 11 CYS C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -112.0 -78.0 PHI 7 7 A 12 ARG C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -135.7 -98.5 PHI 8 8 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 PHE N 1.0 130.6 160.2 PSI 9 9 A 13 PHE C A 14 PHE N A 14 PHE CA A 14 PHE C 1.0 -133.9 -89.0 PHI 10 10 A 14 PHE N A 14 PHE CA A 14 PHE C A 15 GLU N 1.0 128.1 149.7 PSI 11 11 A 14 PHE C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -112.8 -64.2 PHI 12 12 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 SER N 1.0 109.9 152.8 PSI 13 13 A 18 VAL C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -103.0 -65.0 PHI 14 14 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 ARG N 1.0 93.0 135.0 PSI 15 15 A 19 ALA C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -68.5 -48.5 PHI 16 16 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 ALA N 1.0 -45.8 -17.1 PSI 17 17 A 20 ARG C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -81.7 -52.8 PHI 18 18 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 ASN N 1.0 -44.4 -11.7 PSI 19 19 A 22 ASN C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -137.3 -95.4 PHI 20 20 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 LYS N 1.0 123.7 154.2 PSI 21 21 A 25 HIS C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -146.5 -117.7 PHI 22 22 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 LYS N 1.0 130.2 162.2 PSI 23 23 A 26 LEU C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -145.2 -114.2 PHI 24 24 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 ILE N 1.0 119.2 141.2 PSI 25 25 A 27 LYS C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -134.4 -104.1 PHI 26 26 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 LEU N 1.0 115.4 136.0 PSI 27 27 A 29 LEU C A 30 ASN N A 30 ASN CA A 30 ASN C 1.0 -122.5 -84.0 PHI 28 28 A 30 ASN N A 30 ASN CA A 30 ASN C A 31 THR N 1.0 105.0 143.3 PSI 29 29 A 30 ASN C A 31 THR N A 31 THR CA A 31 THR C 1.0 -114.4 -70.4 PHI 30 30 A 31 THR N A 31 THR CA A 31 THR C A 32 PRO N 1.0 129.8 161.7 PSI 31 31 A 33 ASN C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -146.0 -126.0 PHI 32 32 A 34 CYS N A 34 CYS CA A 34 CYS C A 35 ALA N 1.0 138.0 160.0 PSI 33 33 A 37 GLN C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -124.7 -104.7 PHI 34 34 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 VAL N 1.0 117.5 137.5 PSI 35 35 A 38 ILE C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -131.4 -110.8 PHI 36 36 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 ALA N 1.0 127.5 147.5 PSI 37 37 A 39 VAL C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -137.9 -110.4 PHI 38 38 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 ARG N 1.0 125.3 145.3 PSI 39 39 A 40 ALA C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -117.9 -97.9 PHI 40 40 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 LEU N 1.0 110.1 130.1 PSI 41 41 A 47 ARG C A 48 GLN N A 48 GLN CA A 48 GLN C 1.0 -136.0 -99.4 PHI 42 42 A 48 GLN N A 48 GLN CA A 48 GLN C A 49 VAL N 1.0 132.4 161.7 PSI 43 43 A 48 GLN C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -146.1 -111.4 PHI 44 44 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 CYS N 1.0 133.8 155.5 PSI 45 45 A 49 VAL C A 50 CYS N A 50 CYS CA A 50 CYS C 1.0 -140.0 -104.9 PHI 46 46 A 50 CYS N A 50 CYS CA A 50 CYS C A 51 ILE N 1.0 128.1 151.7 PSI 47 47 A 50 CYS C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -154.2 -107.1 PHI 48 48 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 ASP N 1.0 136.2 162.5 PSI 49 49 A 56 LYS C A 57 TRP N A 57 TRP CA A 57 TRP C 1.0 -74.8 -54.8 PHI 50 50 A 57 TRP N A 57 TRP CA A 57 TRP C A 58 ILE N 1.0 -47.9 -27.9 PSI 51 51 A 57 TRP C A 58 ILE N A 58 ILE CA A 58 ILE C 1.0 -74.5 -54.5 PHI 52 52 A 58 ILE N A 58 ILE CA A 58 ILE C A 59 GLN N 1.0 -50.7 -30.7 PSI 53 53 A 58 ILE C A 59 GLN N A 59 GLN CA A 59 GLN C 1.0 -69.6 -49.6 PHI 54 54 A 59 GLN N A 59 GLN CA A 59 GLN C A 60 GLU N 1.0 -50.3 -30.3 PSI 55 55 A 59 GLN C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -75.0 -55.0 PHI 56 56 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 TYR N 1.0 -51.1 -31.1 PSI 57 57 A 60 GLU C A 61 TYR N A 61 TYR CA A 61 TYR C 1.0 -74.4 -54.4 PHI 58 58 A 61 TYR N A 61 TYR CA A 61 TYR C A 62 LEU N 1.0 -53.6 -33.6 PSI 59 59 A 61 TYR C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -72.5 -52.5 PHI 60 60 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 GLU N 1.0 -50.4 -30.4 PSI 61 61 A 62 LEU C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -73.8 -53.8 PHI 62 62 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 LYS N 1.0 -49.7 -29.7 PSI 63 63 A 63 GLU C A 64 LYS N A 64 LYS CA A 64 LYS C 1.0 -90.9 -63.1 PHI 64 64 A 64 LYS N A 64 LYS CA A 64 LYS C A 65 CYS N 1.0 -43.0 -4.5 PSI 65 65 C 207 TYR C C 208 ARG N C 208 ARG CA C 208 ARG C 1.0 -136.9 -60.7 PHI 66 66 C 208 ARG N C 208 ARG CA C 208 ARG C C 209 CYS N 1.0 113.3 160.8 PSI 67 67 C 208 ARG C C 209 CYS N C 209 CYS CA C 209 CYS C 1.0 -140.0 -98.0 PHI 68 68 C 209 CYS N C 209 CYS CA C 209 CYS C C 210 PRO N 1.0 134.0 176.0 PSI 69 69 C 210 PRO C C 211 CYS N C 211 CYS CA C 211 CYS C 1.0 -97.8 -71.3 PHI 70 70 C 211 CYS C C 212 ARG N C 212 ARG CA C 212 ARG C 1.0 -112.0 -78.0 PHI 71 71 C 212 ARG C C 213 PHE N C 213 PHE CA C 213 PHE C 1.0 -135.7 -98.5 PHI 72 72 C 213 PHE N C 213 PHE CA C 213 PHE C C 214 PHE N 1.0 130.6 160.2 PSI 73 73 C 213 PHE C C 214 PHE N C 214 PHE CA C 214 PHE C 1.0 -133.9 -89.0 PHI 74 74 C 214 PHE N C 214 PHE CA C 214 PHE C C 215 GLU N 1.0 128.1 149.7 PSI 75 75 C 214 PHE C C 215 GLU N C 215 GLU CA C 215 GLU C 1.0 -112.8 -64.2 PHI 76 76 C 215 GLU N C 215 GLU CA C 215 GLU C C 216 SER N 1.0 109.9 152.8 PSI 77 77 C 218 VAL C C 219 ALA N C 219 ALA CA C 219 ALA C 1.0 -103.0 -65.0 PHI 78 78 C 219 ALA N C 219 ALA CA C 219 ALA C C 220 ARG N 1.0 93.0 135.0 PSI 79 79 C 219 ALA C C 220 ARG N C 220 ARG CA C 220 ARG C 1.0 -68.5 -48.5 PHI 80 80 C 220 ARG N C 220 ARG CA C 220 ARG C C 221 ALA N 1.0 -45.8 -17.1 PSI 81 81 C 220 ARG C C 221 ALA N C 221 ALA CA C 221 ALA C 1.0 -81.7 -52.8 PHI 82 82 C 221 ALA N C 221 ALA CA C 221 ALA C C 222 ASN N 1.0 -44.4 -11.7 PSI 83 83 C 222 ASN C C 223 VAL N C 223 VAL CA C 223 VAL C 1.0 -137.3 -95.4 PHI 84 84 C 223 VAL N C 223 VAL CA C 223 VAL C C 224 LYS N 1.0 123.7 154.2 PSI 85 85 C 225 HIS C C 226 LEU N C 226 LEU CA C 226 LEU C 1.0 -146.5 -117.7 PHI 86 86 C 226 LEU N C 226 LEU CA C 226 LEU C C 227 LYS N 1.0 130.2 162.2 PSI 87 87 C 226 LEU C C 227 LYS N C 227 LYS CA C 227 LYS C 1.0 -145.2 -114.2 PHI 88 88 C 227 LYS N C 227 LYS CA C 227 LYS C C 228 ILE N 1.0 119.2 141.2 PSI 89 89 C 227 LYS C C 228 ILE N C 228 ILE CA C 228 ILE C 1.0 -134.4 -104.1 PHI 90 90 C 228 ILE N C 228 ILE CA C 228 ILE C C 229 LEU N 1.0 115.4 136.0 PSI 91 91 C 229 LEU C C 230 ASN N C 230 ASN CA C 230 ASN C 1.0 -122.5 -84.0 PHI 92 92 C 230 ASN N C 230 ASN CA C 230 ASN C C 231 THR N 1.0 105.0 143.3 PSI 93 93 C 230 ASN C C 231 THR N C 231 THR CA C 231 THR C 1.0 -114.4 -70.4 PHI 94 94 C 231 THR N C 231 THR CA C 231 THR C C 232 PRO N 1.0 129.8 161.7 PSI 95 95 C 233 ASN C C 234 CYS N C 234 CYS CA C 234 CYS C 1.0 -146.0 -126.0 PHI 96 96 C 234 CYS N C 234 CYS CA C 234 CYS C C 235 ALA N 1.0 138.0 160.0 PSI 97 97 C 237 GLN C C 238 ILE N C 238 ILE CA C 238 ILE C 1.0 -124.7 -104.7 PHI 98 98 C 238 ILE N C 238 ILE CA C 238 ILE C C 239 VAL N 1.0 117.5 137.5 PSI 99 99 C 238 ILE C C 239 VAL N C 239 VAL CA C 239 VAL C 1.0 -131.4 -110.8 PHI 100 100 C 239 VAL N C 239 VAL CA C 239 VAL C C 240 ALA N 1.0 127.5 147.5 PSI 101 101 C 239 VAL C C 240 ALA N C 240 ALA CA C 240 ALA C 1.0 -137.9 -110.4 PHI 102 102 C 240 ALA N C 240 ALA CA C 240 ALA C C 241 ARG N 1.0 125.3 145.3 PSI 103 103 C 240 ALA C C 241 ARG N C 241 ARG CA C 241 ARG C 1.0 -117.9 -97.9 PHI 104 104 C 241 ARG N C 241 ARG CA C 241 ARG C C 242 LEU N 1.0 110.1 130.1 PSI 105 105 C 247 ARG C C 248 GLN N C 248 GLN CA C 248 GLN C 1.0 -136.0 -99.4 PHI 106 106 C 248 GLN N C 248 GLN CA C 248 GLN C C 249 VAL N 1.0 132.4 161.7 PSI 107 107 C 248 GLN C C 249 VAL N C 249 VAL CA C 249 VAL C 1.0 -146.1 -111.4 PHI 108 108 C 249 VAL N C 249 VAL CA C 249 VAL C C 250 CYS N 1.0 133.8 155.5 PSI 109 109 C 249 VAL C C 250 CYS N C 250 CYS CA C 250 CYS C 1.0 -140.0 -104.9 PHI 110 110 C 250 CYS N C 250 CYS CA C 250 CYS C C 251 ILE N 1.0 128.1 151.7 PSI 111 111 C 250 CYS C C 251 ILE N C 251 ILE CA C 251 ILE C 1.0 -154.2 -107.1 PHI 112 112 C 251 ILE N C 251 ILE CA C 251 ILE C C 252 ASP N 1.0 136.2 162.5 PSI 113 113 C 256 LYS C C 257 TRP N C 257 TRP CA C 257 TRP C 1.0 -74.8 -54.8 PHI 114 114 C 257 TRP N C 257 TRP CA C 257 TRP C C 258 ILE N 1.0 -47.9 -27.9 PSI 115 115 C 257 TRP C C 258 ILE N C 258 ILE CA C 258 ILE C 1.0 -74.5 -54.5 PHI 116 116 C 258 ILE N C 258 ILE CA C 258 ILE C C 259 GLN N 1.0 -50.7 -30.7 PSI 117 117 C 258 ILE C C 259 GLN N C 259 GLN CA C 259 GLN C 1.0 -69.6 -49.6 PHI 118 118 C 259 GLN N C 259 GLN CA C 259 GLN C C 260 GLU N 1.0 -50.3 -30.3 PSI 119 119 C 259 GLN C C 260 GLU N C 260 GLU CA C 260 GLU C 1.0 -75.0 -55.0 PHI 120 120 C 260 GLU N C 260 GLU CA C 260 GLU C C 261 TYR N 1.0 -51.1 -31.1 PSI 121 121 C 260 GLU C C 261 TYR N C 261 TYR CA C 261 TYR C 1.0 -74.4 -54.4 PHI 122 122 C 261 TYR N C 261 TYR CA C 261 TYR C C 262 LEU N 1.0 -53.6 -33.6 PSI 123 123 C 261 TYR C C 262 LEU N C 262 LEU CA C 262 LEU C 1.0 -72.5 -52.5 PHI 124 124 C 262 LEU N C 262 LEU CA C 262 LEU C C 263 GLU N 1.0 -50.4 -30.4 PSI 125 125 C 262 LEU C C 263 GLU N C 263 GLU CA C 263 GLU C 1.0 -73.8 -53.8 PHI 126 126 C 263 GLU N C 263 GLU CA C 263 GLU C C 264 LYS N 1.0 -49.7 -29.7 PSI 127 127 C 263 GLU C C 264 LYS N C 264 LYS CA C 264 LYS C 1.0 -90.9 -63.1 PHI 128 128 C 264 LYS N C 264 LYS CA C 264 LYS C C 265 CYS N 1.0 -43.0 -4.5 PSI stop_ save_