loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID 1 MET 2 GLN 3 ILE 4 PHE 5 VAL 6 LYS 7 THR 8 LEU 9 THR 10 GLY 11 LYS 12 THR 13 ILE 14 THR 15 LEU 16 GLU 17 VAL 18 GLU 19 PRO 20 SER 21 ASP 22 THR 23 ILE 24 GLU 25 ASN 26 VAL 27 LYS 28 ALA 29 LYS 30 ILE 31 GLN 32 ASP 33 LYS 34 GLU 35 GLY 36 ILE 37 PRO 38 PRO 39 ASP 40 GLN 41 GLN 42 ARG 43 LEU 44 ILE 45 PHE 46 ALA 47 GLY 48 LYS 49 GLN 50 LEU 51 GLU 52 ASP 53 GLY 54 ARG 55 THR 56 LEU 57 SER 58 ASP 59 TYR 60 ASN 61 ILE 62 GLN 63 LYS 64 GLU 65 SER 66 THR 67 LEU 68 HIS 69 LEU 70 VAL 71 LEU 72 ARG 73 LEU 74 ARG 75 GLY 76 GLY stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Ambiguity_code 1 1 1 MET CA C 13 54.492 0.00 0 2 1 1 MET CB C 13 33.000 0.00 0 3 1 1 MET CG C 13 30.854 0.00 0 4 1 1 MET HA H 1 4.189 0.00 0 5 1 1 MET HB2 H 1 2.050 0.00 0 6 1 1 MET HB3 H 1 2.050 0.00 0 7 1 1 MET HG2 H 1 2.518 0.00 0 8 1 1 MET HG3 H 1 2.516 0.00 0 9 2 2 GLN CA C 13 55.713 0.00 0 10 2 2 GLN CB C 13 29.500 0.00 0 11 2 2 GLN CG C 13 35.100 0.00 0 12 2 2 GLN H H 1 8.942 0.00 0 13 2 2 GLN HA H 1 4.610 0.00 0 14 2 2 GLN HB2 H 1 3.080 0.00 0 15 2 2 GLN HB3 H 1 3.020 0.00 0 16 2 2 GLN HG2 H 1 3.130 0.00 0 17 2 2 GLN HG3 H 1 2.462 0.00 0 18 2 2 GLN N N 15 123.059 0.00 0 19 3 3 ILE CA C 13 59.622 0.00 0 20 3 3 ILE CB C 13 42.162 0.00 0 21 3 3 ILE CD1 C 13 14.232 0.00 0 22 3 3 ILE CG1 C 13 25.044 0.09 0 23 3 3 ILE CG2 C 13 17.844 0.00 0 24 3 3 ILE H H 1 8.315 0.00 0 25 3 3 ILE HA H 1 4.130 0.00 0 26 3 3 ILE HB H 1 1.739 0.00 0 27 3 3 ILE HD1 H 1 0.561 0.00 0 28 3 3 ILE HG12 H 1 1.014 0.00 0 29 3 3 ILE HG13 H 1 0.793 0.00 0 30 3 3 ILE HG2 H 1 0.597 0.00 0 31 3 3 ILE N N 15 125.388 0.00 0 32 4 4 PHE CA C 13 55.132 0.00 0 33 4 4 PHE CB C 13 41.284 0.00 0 34 4 4 PHE H H 1 8.593 0.00 0 35 4 4 PHE HA H 1 5.614 0.00 0 36 4 4 PHE HB2 H 1 3.014 0.00 0 37 4 4 PHE HB3 H 1 2.848 0.00 0 38 4 4 PHE N N 15 118.521 0.00 0 39 5 5 VAL CA C 13 60.501 0.00 0 40 5 5 VAL CB C 13 34.408 0.00 0 41 5 5 VAL CG1 C 13 22.313 0.00 0 42 5 5 VAL CG2 C 13 20.805 0.00 0 43 5 5 VAL H H 1 9.301 0.00 0 44 5 5 VAL HA H 1 4.742 0.00 0 45 5 5 VAL HB H 1 1.865 0.00 0 46 5 5 VAL HG1 H 1 0.652 0.00 0 47 5 5 VAL HG2 H 1 0.701 0.00 0 48 5 5 VAL N N 15 121.322 0.00 0 49 6 6 LYS CA C 13 54.595 0.00 0 50 6 6 LYS CB C 13 34.517 0.00 0 51 6 6 LYS CD C 13 29.342 0.00 0 52 6 6 LYS CE C 13 41.984 0.02 0 53 6 6 LYS CG C 13 25.014 0.01 0 54 6 6 LYS H H 1 8.868 0.00 0 55 6 6 LYS HA H 1 5.284 0.00 0 56 6 6 LYS HB2 H 1 1.653 0.00 0 57 6 6 LYS HB3 H 1 1.342 0.00 0 58 6 6 LYS HD2 H 1 1.520 0.00 0 59 6 6 LYS HD3 H 1 1.572 0.00 0 60 6 6 LYS HE2 H 1 2.851 0.00 0 61 6 6 LYS HE3 H 1 2.850 0.00 0 62 6 6 LYS HG2 H 1 1.430 0.00 0 63 6 6 LYS HG3 H 1 1.244 0.00 0 64 6 6 LYS N N 15 127.821 0.00 0 65 7 7 THR CA C 13 60.526 0.00 0 66 7 7 THR CB C 13 70.500 0.00 0 67 7 7 THR CG2 C 13 21.497 0.00 0 68 7 7 THR H H 1 8.733 0.00 0 69 7 7 THR HA H 1 4.900 0.00 0 70 7 7 THR HB H 1 4.771 0.00 0 71 7 7 THR HG2 H 1 1.148 0.00 0 72 7 7 THR N N 15 115.587 0.00 0 73 8 8 LEU CA C 13 57.582 0.00 0 74 8 8 LEU CB C 13 41.916 0.01 0 75 8 8 LEU CD1 C 13 23.815 0.00 0 76 8 8 LEU CD2 C 13 25.388 0.00 0 77 8 8 LEU CG C 13 27.304 0.00 0 78 8 8 LEU H H 1 9.113 0.00 0 79 8 8 LEU HA H 1 4.269 0.00 0 80 8 8 LEU HB2 H 1 1.903 0.00 0 81 8 8 LEU HB3 H 1 1.725 0.00 0 82 8 8 LEU HD1 H 1 0.954 0.00 0 83 8 8 LEU HD2 H 1 1.019 0.00 0 84 8 8 LEU HG H 1 1.851 0.00 0 85 8 8 LEU N N 15 121.459 0.00 0 86 9 9 THR CA C 13 61.451 0.00 0 87 9 9 THR CB C 13 69.054 0.00 0 88 9 9 THR CG2 C 13 21.887 0.00 0 89 9 9 THR H H 1 7.635 0.00 0 90 9 9 THR HA H 1 4.391 0.00 0 91 9 9 THR HB H 1 4.555 0.00 0 92 9 9 THR HG2 H 1 1.233 0.00 0 93 9 9 THR N N 15 105.978 0.00 0 94 10 10 GLY CA C 13 45.364 0.00 0 95 10 10 GLY H H 1 7.807 0.00 0 96 10 10 GLY HA2 H 1 4.313 0.00 0 97 10 10 GLY HA3 H 1 3.570 0.00 0 98 10 10 GLY N N 15 109.276 0.00 0 99 11 11 LYS CA C 13 56.684 0.00 0 100 11 11 LYS CB C 13 33.418 0.00 0 101 11 11 LYS CD C 13 27.300 0.00 0 102 11 11 LYS CE C 13 41.987 0.01 0 103 11 11 LYS CG C 13 25.122 0.02 0 104 11 11 LYS H H 1 7.262 0.00 0 105 11 11 LYS HA H 1 4.351 0.00 0 106 11 11 LYS HB2 H 1 1.776 0.00 0 107 11 11 LYS HB3 H 1 1.676 0.00 0 108 11 11 LYS HD2 H 1 1.760 0.00 0 109 11 11 LYS HD3 H 1 1.760 0.00 0 110 11 11 LYS HE2 H 1 3.050 0.00 0 111 11 11 LYS HE3 H 1 2.875 0.00 0 112 11 11 LYS HG2 H 1 1.205 0.00 0 113 11 11 LYS HG3 H 1 1.381 0.00 0 114 11 11 LYS N N 15 121.989 0.00 0 115 12 12 THR CA C 13 62.408 0.00 0 116 12 12 THR CB C 13 69.801 0.00 0 117 12 12 THR CG2 C 13 22.028 0.00 0 118 12 12 THR H H 1 8.648 0.00 0 119 12 12 THR HA H 1 5.006 0.00 0 120 12 12 THR HB H 1 3.916 0.00 0 121 12 12 THR HG2 H 1 1.046 0.00 0 122 12 12 THR N N 15 120.707 0.00 0 123 13 13 ILE CA C 13 60.030 0.00 0 124 13 13 ILE CB C 13 40.786 0.00 0 125 13 13 ILE CD1 C 13 14.436 0.00 0 126 13 13 ILE CG1 C 13 26.900 0.00 0 127 13 13 ILE CG2 C 13 17.784 0.00 0 128 13 13 ILE H H 1 9.508 0.00 0 129 13 13 ILE HA H 1 4.487 0.00 0 130 13 13 ILE HB H 1 1.845 0.00 0 131 13 13 ILE HD1 H 1 0.694 0.00 0 132 13 13 ILE HG12 H 1 1.400 0.00 0 133 13 13 ILE HG13 H 1 1.060 0.00 0 134 13 13 ILE HG2 H 1 0.849 0.00 0 135 13 13 ILE N N 15 127.781 0.00 0 136 14 14 THR CA C 13 62.081 0.00 0 137 14 14 THR CB C 13 69.635 0.00 0 138 14 14 THR CG2 C 13 21.806 0.00 0 139 14 14 THR H H 1 8.743 0.00 0 140 14 14 THR HA H 1 4.940 0.00 0 141 14 14 THR HB H 1 4.011 0.00 0 142 14 14 THR HG2 H 1 1.104 0.00 0 143 14 14 THR N N 15 121.880 0.00 0 144 15 15 LEU CA C 13 52.775 0.00 0 145 15 15 LEU CB C 13 46.918 0.00 0 146 15 15 LEU CD1 C 13 19.600 0.00 0 147 15 15 LEU CD2 C 13 24.304 0.00 0 148 15 15 LEU CG C 13 27.074 0.00 0 149 15 15 LEU H H 1 8.717 0.00 0 150 15 15 LEU HA H 1 4.732 0.00 0 151 15 15 LEU HB2 H 1 1.179 0.00 0 152 15 15 LEU HB3 H 1 1.329 0.00 0 153 15 15 LEU HD1 H 1 0.680 0.00 0 154 15 15 LEU HD2 H 1 0.736 0.00 0 155 15 15 LEU HG H 1 0.675 0.00 0 156 15 15 LEU N N 15 125.157 0.00 0 157 16 16 GLU CA C 13 54.918 0.00 0 158 16 16 GLU CB C 13 29.884 0.00 0 159 16 16 GLU CG C 13 35.427 0.00 0 160 16 16 GLU H H 1 8.121 0.00 0 161 16 16 GLU HA H 1 4.860 0.00 0 162 16 16 GLU HB2 H 1 1.893 0.00 0 163 16 16 GLU HB3 H 1 1.810 0.00 0 164 16 16 GLU HG2 H 1 2.060 0.00 0 165 16 16 GLU HG3 H 1 2.217 0.00 0 166 16 16 GLU N N 15 122.532 0.00 0 167 17 17 VAL CA C 13 58.445 0.00 0 168 17 17 VAL CB C 13 36.395 0.00 0 169 17 17 VAL CG1 C 13 22.207 0.00 0 170 17 17 VAL CG2 C 13 19.569 0.00 0 171 17 17 VAL H H 1 8.924 0.00 0 172 17 17 VAL HA H 1 4.675 0.00 0 173 17 17 VAL HB H 1 2.295 0.00 0 174 17 17 VAL HG1 H 1 0.679 0.00 0 175 17 17 VAL HG2 H 1 0.395 0.00 0 176 17 17 VAL N N 15 117.594 0.00 0 177 18 18 GLU CA C 13 52.752 0.00 0 178 18 18 GLU CB C 13 30.835 0.06 0 179 18 18 GLU CG C 13 35.001 0.00 0 180 18 18 GLU H H 1 8.640 0.00 0 181 18 18 GLU HA H 1 5.045 0.00 0 182 18 18 GLU HB2 H 1 2.127 0.00 0 183 18 18 GLU HB3 H 1 1.567 0.00 0 184 18 18 GLU HG2 H 1 2.203 0.00 0 185 18 18 GLU HG3 H 1 2.324 0.00 0 186 18 18 GLU N N 15 119.328 0.00 0 187 19 19 PRO CA C 13 65.322 0.00 0 188 19 19 PRO CB C 13 31.941 0.08 0 189 19 19 PRO CD C 13 50.458 0.02 0 190 19 19 PRO CG C 13 27.861 0.14 0 191 19 19 PRO HA H 1 4.097 0.00 0 192 19 19 PRO HB2 H 1 2.406 0.00 0 193 19 19 PRO HB3 H 1 1.969 0.00 0 194 19 19 PRO HD2 H 1 3.972 0.00 0 195 19 19 PRO HD3 H 1 3.774 0.00 0 196 19 19 PRO HG2 H 1 2.183 0.00 0 197 19 19 PRO HG3 H 1 1.587 0.00 0 198 20 20 SER CA C 13 57.410 0.00 0 199 20 20 SER CB C 13 63.440 0.00 0 200 20 20 SER H H 1 7.022 0.00 0 201 20 20 SER HA H 1 4.327 0.00 0 202 20 20 SER HB2 H 1 3.755 0.00 0 203 20 20 SER HB3 H 1 4.127 0.00 0 204 20 20 SER N N 15 103.498 0.00 0 205 21 21 ASP CA C 13 55.834 0.00 0 206 21 21 ASP CB C 13 40.850 0.04 0 207 21 21 ASP H H 1 8.041 0.00 0 208 21 21 ASP HA H 1 4.656 0.00 0 209 21 21 ASP HB2 H 1 2.916 0.00 0 210 21 21 ASP HB3 H 1 2.484 0.00 0 211 21 21 ASP N N 15 123.940 0.00 0 212 22 22 THR CA C 13 59.683 0.00 0 213 22 22 THR CB C 13 71.276 0.00 0 214 22 22 THR CG2 C 13 22.245 0.00 0 215 22 22 THR H H 1 7.875 0.00 0 216 22 22 THR HA H 1 4.875 0.00 0 217 22 22 THR HB H 1 4.774 0.00 0 218 22 22 THR HG2 H 1 1.234 0.00 0 219 22 22 THR N N 15 109.077 0.00 0 220 23 23 ILE CA C 13 62.358 0.00 0 221 23 23 ILE CB C 13 34.595 0.00 0 222 23 23 ILE CD1 C 13 9.307 0.00 0 223 23 23 ILE CG1 C 13 18.146 0.03 0 224 23 23 ILE CG2 C 13 11.016 0.00 0 225 23 23 ILE H H 1 8.526 0.00 0 226 23 23 ILE HA H 1 3.605 0.00 0 227 23 23 ILE HB H 1 1.833 0.00 0 228 23 23 ILE HD1 H 1 0.540 0.00 0 229 23 23 ILE HG12 H 1 0.754 0.00 0 230 23 23 ILE HG13 H 1 0.601 0.00 0 231 23 23 ILE HG2 H 1 1.255 0.00 0 232 23 23 ILE N N 15 121.362 0.00 0 233 24 24 GLU CA C 13 60.674 0.00 0 234 24 24 GLU CB C 13 28.675 0.00 0 235 24 24 GLU CG C 13 36.011 0.01 0 236 24 24 GLU H H 1 7.171 0.00 0 237 24 24 GLU HA H 1 3.859 0.00 0 238 24 24 GLU HB2 H 1 2.015 0.00 0 239 24 24 GLU HB3 H 1 1.984 0.00 0 240 24 24 GLU HG2 H 1 2.288 0.00 0 241 24 24 GLU HG3 H 1 2.370 0.00 0 242 24 24 GLU N N 15 120.518 0.00 0 243 25 25 ASN CA C 13 56.082 0.00 0 244 25 25 ASN CB C 13 38.415 0.00 0 245 25 25 ASN H H 1 7.918 0.00 0 246 25 25 ASN HA H 1 4.511 0.00 0 247 25 25 ASN HB2 H 1 3.187 0.00 0 248 25 25 ASN HB3 H 1 2.840 0.00 0 249 25 25 ASN N N 15 121.370 0.00 0 250 26 26 VAL CA C 13 67.673 0.00 0 251 26 26 VAL CB C 13 30.769 0.00 0 252 26 26 VAL CG1 C 13 23.593 0.00 0 253 26 26 VAL CG2 C 13 21.457 0.00 0 254 26 26 VAL H H 1 8.092 0.00 0 255 26 26 VAL HA H 1 3.354 0.00 0 256 26 26 VAL HB H 1 2.312 0.00 0 257 26 26 VAL HG1 H 1 0.952 0.00 0 258 26 26 VAL HG2 H 1 0.661 0.00 0 259 26 26 VAL N N 15 122.209 0.00 0 260 27 27 LYS CA C 13 59.212 0.00 0 261 27 27 LYS CB C 13 33.677 0.00 0 262 27 27 LYS CD C 13 30.500 0.00 0 263 27 27 LYS CE C 13 42.409 0.01 0 264 27 27 LYS CG C 13 26.351 0.00 0 265 27 27 LYS H H 1 8.543 0.00 0 266 27 27 LYS HA H 1 4.558 0.00 0 267 27 27 LYS HB2 H 1 1.404 0.00 0 268 27 27 LYS HB3 H 1 1.415 0.00 0 269 27 27 LYS HD2 H 1 0.697 0.00 0 270 27 27 LYS HD3 H 1 1.630 0.00 0 271 27 27 LYS HE2 H 1 2.611 0.00 0 272 27 27 LYS HE3 H 1 2.590 0.00 0 273 27 27 LYS HG2 H 1 1.558 0.00 0 274 27 27 LYS HG3 H 1 1.406 0.00 0 275 27 27 LYS N N 15 119.050 0.00 0 276 28 28 ALA CA C 13 55.419 0.00 0 277 28 28 ALA CB C 13 17.709 0.00 0 278 28 28 ALA H H 1 7.985 0.00 0 279 28 28 ALA HA H 1 4.121 0.00 0 280 28 28 ALA HB H 1 1.595 0.00 0 281 28 28 ALA N N 15 123.609 0.00 0 282 29 29 LYS CA C 13 59.786 0.00 0 283 29 29 LYS CB C 13 33.319 0.00 0 284 29 29 LYS CD C 13 30.161 0.00 0 285 29 29 LYS CE C 13 42.388 0.09 0 286 29 29 LYS CG C 13 26.651 0.00 0 287 29 29 LYS H H 1 7.851 0.00 0 288 29 29 LYS HA H 1 4.172 0.00 0 289 29 29 LYS HB2 H 1 1.911 0.00 0 290 29 29 LYS HB3 H 1 2.109 0.00 0 291 29 29 LYS HD2 H 1 1.430 0.00 0 292 29 29 LYS HD3 H 1 1.763 0.00 0 293 29 29 LYS HE2 H 1 2.955 0.00 0 294 29 29 LYS HE3 H 1 3.143 0.00 0 295 29 29 LYS HG2 H 1 1.581 0.00 0 296 29 29 LYS HG3 H 1 1.766 0.00 0 297 29 29 LYS N N 15 120.305 0.00 0 298 30 30 ILE CA C 13 66.130 0.00 0 299 30 30 ILE CB C 13 36.769 0.00 0 300 30 30 ILE CD1 C 13 15.219 0.00 0 301 30 30 ILE CG1 C 13 31.117 0.02 0 302 30 30 ILE CG2 C 13 17.034 0.00 0 303 30 30 ILE H H 1 8.270 0.00 0 304 30 30 ILE HA H 1 3.473 0.00 0 305 30 30 ILE HB H 1 2.331 0.00 0 306 30 30 ILE HD1 H 1 0.858 0.00 0 307 30 30 ILE HG12 H 1 1.970 0.00 0 308 30 30 ILE HG13 H 1 0.649 0.00 0 309 30 30 ILE HG2 H 1 0.666 0.00 0 310 30 30 ILE N N 15 121.418 0.00 0 311 31 31 GLN CA C 13 60.053 0.00 0 312 31 31 GLN CB C 13 27.734 0.00 0 313 31 31 GLN CG C 13 33.835 0.00 0 314 31 31 GLN H H 1 8.541 0.00 0 315 31 31 GLN HA H 1 3.787 0.00 0 316 31 31 GLN HB2 H 1 1.940 0.00 0 317 31 31 GLN HB3 H 1 2.464 0.00 0 318 31 31 GLN HG2 H 1 2.251 0.00 0 319 31 31 GLN HG3 H 1 1.896 0.00 0 320 31 31 GLN N N 15 123.671 0.00 0 321 32 32 ASP CA C 13 57.469 0.00 0 322 32 32 ASP CB C 13 41.008 0.01 0 323 32 32 ASP H H 1 8.016 0.00 0 324 32 32 ASP HA H 1 4.302 0.00 0 325 32 32 ASP HB2 H 1 2.728 0.00 0 326 32 32 ASP HB3 H 1 2.817 0.00 0 327 32 32 ASP N N 15 119.843 0.00 0 328 33 33 LYS CA C 13 58.189 0.00 0 329 33 33 LYS CB C 13 34.033 0.00 0 330 33 33 LYS CD C 13 28.995 0.00 0 331 33 33 LYS CE C 13 42.200 0.00 0 332 33 33 LYS CG C 13 25.232 0.03 0 333 33 33 LYS H H 1 7.415 0.00 0 334 33 33 LYS HA H 1 4.289 0.00 0 335 33 33 LYS HB2 H 1 1.814 0.00 0 336 33 33 LYS HB3 H 1 1.987 0.00 0 337 33 33 LYS HD2 H 1 1.670 0.00 0 338 33 33 LYS HD3 H 1 1.693 0.00 0 339 33 33 LYS HE2 H 1 3.100 0.00 0 340 33 33 LYS HE3 H 1 3.485 0.00 0 341 33 33 LYS HG2 H 1 1.572 0.00 0 342 33 33 LYS HG3 H 1 1.550 0.00 0 343 33 33 LYS N N 15 115.568 0.00 0 344 34 34 GLU CA C 13 55.300 0.00 0 345 34 34 GLU CB C 13 33.473 0.00 0 346 34 34 GLU CG C 13 36.294 0.01 0 347 34 34 GLU H H 1 8.715 0.00 0 348 34 34 GLU HA H 1 4.300 0.00 0 349 34 34 GLU HB2 H 1 2.210 0.00 0 350 34 34 GLU HB3 H 1 1.666 0.00 0 351 34 34 GLU HG2 H 1 2.134 0.00 0 352 34 34 GLU HG3 H 1 2.055 0.00 0 353 34 34 GLU N N 15 114.292 0.00 0 354 35 35 GLY CA C 13 46.052 0.01 0 355 35 35 GLY H H 1 8.499 0.00 0 356 35 35 GLY HA2 H 1 4.110 0.00 0 357 35 35 GLY HA3 H 1 3.885 0.00 0 358 35 35 GLY N N 15 108.951 0.00 0 359 36 36 ILE CA C 13 58.358 0.00 0 360 36 36 ILE CB C 13 40.494 0.00 0 361 36 36 ILE CD1 C 13 17.400 0.00 0 362 36 36 ILE CG1 C 13 17.000 0.00 0 363 36 36 ILE CG2 C 13 13.600 0.00 0 364 36 36 ILE H H 1 6.120 0.00 0 365 36 36 ILE HA H 1 4.363 0.00 0 366 36 36 ILE HB H 1 1.384 0.00 0 367 36 36 ILE HD1 H 1 0.410 0.00 0 368 36 36 ILE HG12 H 1 1.350 0.00 0 369 36 36 ILE HG13 H 1 1.060 0.00 0 370 36 36 ILE HG2 H 1 0.762 0.00 0 371 36 36 ILE N N 15 120.328 0.00 0 372 37 37 PRO CA C 13 60.940 0.00 0 373 37 37 PRO CB C 13 31.945 0.10 0 374 37 37 PRO CD C 13 51.058 0.00 0 375 37 37 PRO HA H 1 4.602 0.00 0 376 37 37 PRO HB2 H 1 1.920 0.00 0 377 37 37 PRO HB3 H 1 2.380 0.00 0 378 37 37 PRO HD2 H 1 4.165 0.00 0 379 37 37 PRO HD3 H 1 3.522 0.00 0 380 38 38 PRO CA C 13 66.153 0.00 0 381 38 38 PRO CB C 13 32.800 0.00 0 382 38 38 PRO CD C 13 51.153 0.01 0 383 38 38 PRO CG C 13 27.681 0.00 0 384 38 38 PRO HA H 1 4.083 0.00 0 385 38 38 PRO HB2 H 1 1.990 0.00 0 386 38 38 PRO HB3 H 1 2.205 0.00 0 387 38 38 PRO HD2 H 1 3.733 0.00 0 388 38 38 PRO HD3 H 1 3.709 0.00 0 389 38 38 PRO HG2 H 1 1.590 0.00 0 390 38 38 PRO HG3 H 1 2.161 0.00 0 391 39 39 ASP CA C 13 55.799 0.00 0 392 39 39 ASP CB C 13 39.807 0.00 0 393 39 39 ASP H H 1 8.529 0.00 0 394 39 39 ASP HA H 1 4.382 0.00 0 395 39 39 ASP HB2 H 1 2.750 0.00 0 396 39 39 ASP HB3 H 1 2.643 0.00 0 397 39 39 ASP N N 15 113.736 0.00 0 398 40 40 GLN CA C 13 55.599 0.00 0 399 40 40 GLN CB C 13 30.171 0.02 0 400 40 40 GLN CG C 13 34.504 0.00 0 401 40 40 GLN H H 1 7.815 0.00 0 402 40 40 GLN HA H 1 4.429 0.00 0 403 40 40 GLN HB2 H 1 2.429 0.00 0 404 40 40 GLN HB3 H 1 1.801 0.00 0 405 40 40 GLN HG2 H 1 2.360 0.00 0 406 40 40 GLN HG3 H 1 2.381 0.00 0 407 40 40 GLN N N 15 116.999 0.00 0 408 41 41 GLN CA C 13 56.669 0.00 0 409 41 41 GLN CB C 13 31.400 0.00 0 410 41 41 GLN CG C 13 33.509 0.00 0 411 41 41 GLN H H 1 7.478 0.00 0 412 41 41 GLN HA H 1 4.190 0.00 0 413 41 41 GLN HB2 H 1 1.880 0.00 0 414 41 41 GLN HB3 H 1 1.880 0.00 0 415 41 41 GLN HG2 H 1 1.615 0.00 0 416 41 41 GLN HG3 H 1 2.490 0.00 0 417 41 41 GLN N N 15 118.121 0.00 0 418 42 42 ARG CA C 13 55.120 0.00 0 419 42 42 ARG CB C 13 31.700 0.00 0 420 42 42 ARG CD C 13 43.706 0.01 0 421 42 42 ARG CG C 13 26.900 0.00 0 422 42 42 ARG H H 1 8.508 0.00 0 423 42 42 ARG HA H 1 4.453 0.00 0 424 42 42 ARG HB2 H 1 1.610 0.00 0 425 42 42 ARG HB3 H 1 1.610 0.00 0 426 42 42 ARG HD2 H 1 3.104 0.00 0 427 42 42 ARG HD3 H 1 3.022 0.00 0 428 42 42 ARG HG2 H 1 1.340 0.00 0 429 42 42 ARG HG3 H 1 1.450 0.00 0 430 42 42 ARG N N 15 123.081 0.00 0 431 43 43 LEU CA C 13 53.018 0.00 0 432 43 43 LEU CB C 13 45.751 0.01 0 433 43 43 LEU CD1 C 13 24.178 0.00 0 434 43 43 LEU CD2 C 13 24.100 0.00 0 435 43 43 LEU CG C 13 27.100 0.00 0 436 43 43 LEU H H 1 8.823 0.00 0 437 43 43 LEU HA H 1 5.327 0.00 0 438 43 43 LEU HB2 H 1 1.115 0.00 0 439 43 43 LEU HB3 H 1 1.532 0.00 0 440 43 43 LEU HD1 H 1 0.771 0.00 0 441 43 43 LEU HD2 H 1 0.740 0.00 0 442 43 43 LEU HG H 1 1.410 0.00 0 443 43 43 LEU N N 15 124.499 0.00 0 444 44 44 ILE CA C 13 58.954 0.00 0 445 44 44 ILE CB C 13 41.199 0.00 0 446 44 44 ILE CD1 C 13 12.668 0.00 0 447 44 44 ILE CG1 C 13 27.809 0.01 0 448 44 44 ILE CG2 C 13 17.485 0.00 0 449 44 44 ILE H H 1 9.052 0.00 0 450 44 44 ILE HA H 1 4.924 0.00 0 451 44 44 ILE HB H 1 1.686 0.00 0 452 44 44 ILE HD1 H 1 0.644 0.00 0 453 44 44 ILE HG12 H 1 1.318 0.00 0 454 44 44 ILE HG13 H 1 1.028 0.00 0 455 44 44 ILE HG2 H 1 0.651 0.00 0 456 44 44 ILE N N 15 122.279 0.00 0 457 45 45 PHE CA C 13 56.688 0.00 0 458 45 45 PHE CB C 13 43.687 0.02 0 459 45 45 PHE H H 1 8.833 0.00 0 460 45 45 PHE HA H 1 5.093 0.00 0 461 45 45 PHE HB2 H 1 2.997 0.00 0 462 45 45 PHE HB3 H 1 2.783 0.00 0 463 45 45 PHE N N 15 125.412 0.00 0 464 46 46 ALA CA C 13 52.569 0.00 0 465 46 46 ALA CB C 13 16.499 0.00 0 466 46 46 ALA H H 1 8.915 0.00 0 467 46 46 ALA HA H 1 3.669 0.00 0 468 46 46 ALA HB H 1 0.851 0.00 0 469 46 46 ALA N N 15 132.894 0.00 0 470 47 47 GLY CA C 13 45.353 0.02 0 471 47 47 GLY H H 1 8.149 0.00 0 472 47 47 GLY HA2 H 1 3.416 0.00 0 473 47 47 GLY HA3 H 1 4.070 0.00 0 474 47 47 GLY N N 15 102.597 0.00 0 475 48 48 LYS CA C 13 54.603 0.00 0 476 48 48 LYS CB C 13 34.560 0.06 0 477 48 48 LYS CD C 13 29.100 0.00 0 478 48 48 LYS CE C 13 42.300 0.00 0 479 48 48 LYS CG C 13 24.679 0.00 0 480 48 48 LYS H H 1 7.976 0.00 0 481 48 48 LYS HA H 1 4.578 0.00 0 482 48 48 LYS HB2 H 1 1.494 0.00 0 483 48 48 LYS HB3 H 1 1.883 0.00 0 484 48 48 LYS HD2 H 1 3.120 0.00 0 485 48 48 LYS HD3 H 1 3.120 0.00 0 486 48 48 LYS HE2 H 1 3.120 0.00 0 487 48 48 LYS HE3 H 1 3.120 0.00 0 488 48 48 LYS HG2 H 1 1.470 0.00 0 489 48 48 LYS HG3 H 1 1.496 0.00 0 490 48 48 LYS N N 15 122.020 0.00 0 491 49 49 GLN CA C 13 55.890 0.00 0 492 49 49 GLN CB C 13 29.096 0.03 0 493 49 49 GLN CG C 13 34.574 0.02 0 494 49 49 GLN H H 1 8.634 0.00 0 495 49 49 GLN HA H 1 4.513 0.00 0 496 49 49 GLN HB2 H 1 2.204 0.00 0 497 49 49 GLN HB3 H 1 1.953 0.00 0 498 49 49 GLN HG2 H 1 2.212 0.00 0 499 49 49 GLN HG3 H 1 2.217 0.00 0 500 49 49 GLN N N 15 122.917 0.00 0 501 50 50 LEU CA C 13 54.248 0.00 0 502 50 50 LEU CB C 13 41.385 0.00 0 503 50 50 LEU CD1 C 13 19.608 0.00 0 504 50 50 LEU CD2 C 13 25.956 0.00 0 505 50 50 LEU CG C 13 26.008 0.00 0 506 50 50 LEU H H 1 8.540 0.00 0 507 50 50 LEU HA H 1 4.048 0.00 0 508 50 50 LEU HB2 H 1 0.981 0.00 0 509 50 50 LEU HB3 H 1 1.460 0.00 0 510 50 50 LEU HD1 H 1 -0.186 0.00 0 511 50 50 LEU HD2 H 1 0.489 0.00 0 512 50 50 LEU HG H 1 1.452 0.00 0 513 50 50 LEU N N 15 125.745 0.00 0 514 51 51 GLU CA C 13 55.956 0.00 0 515 51 51 GLU CB C 13 31.838 0.00 0 516 51 51 GLU CG C 13 36.383 0.02 0 517 51 51 GLU H H 1 8.397 0.00 0 518 51 51 GLU HA H 1 4.465 0.00 0 519 51 51 GLU HB2 H 1 1.920 0.00 0 520 51 51 GLU HB3 H 1 2.192 0.00 0 521 51 51 GLU HG2 H 1 2.313 0.00 0 522 51 51 GLU HG3 H 1 2.410 0.00 0 523 51 51 GLU N N 15 123.280 0.00 0 524 52 52 ASP CA C 13 55.100 0.00 0 525 52 52 ASP CB C 13 30.700 0.00 0 526 52 52 ASP H H 1 8.156 0.00 0 527 52 52 ASP HA H 1 4.220 0.00 0 528 52 52 ASP HB2 H 1 1.580 0.00 0 529 52 52 ASP HB3 H 1 1.580 0.00 0 530 52 52 ASP N N 15 120.437 0.00 0 531 53 53 GLY CA C 13 45.191 0.00 0 532 53 53 GLY H H 1 6.869 0.00 0 533 53 53 GLY HA3 H 1 4.045 0.00 0 534 53 53 GLY N N 15 109.986 0.00 0 535 54 54 ARG CA C 13 54.316 0.00 0 536 54 54 ARG CB C 13 32.600 0.00 0 537 54 54 ARG CD C 13 39.417 0.00 0 538 54 54 ARG CG C 13 27.400 0.00 0 539 54 54 ARG H H 1 7.452 0.00 0 540 54 54 ARG HA H 1 4.688 0.00 0 541 54 54 ARG HB2 H 1 2.200 0.00 0 542 54 54 ARG HB3 H 1 2.040 0.00 0 543 54 54 ARG HD2 H 1 1.610 0.00 0 544 54 54 ARG HD3 H 1 3.070 0.00 0 545 54 54 ARG HG2 H 1 1.570 0.00 0 546 54 54 ARG HG3 H 1 1.803 0.00 0 547 54 54 ARG N N 15 119.432 0.00 0 548 55 55 THR CA C 13 59.715 0.00 0 549 55 55 THR CB C 13 72.342 0.00 0 550 55 55 THR CG2 C 13 22.256 0.00 0 551 55 55 THR H H 1 8.805 0.00 0 552 55 55 THR HA H 1 5.207 0.00 0 553 55 55 THR HB H 1 4.506 0.00 0 554 55 55 THR HG2 H 1 1.094 0.00 0 555 55 55 THR N N 15 108.868 0.00 0 556 56 56 LEU CA C 13 58.675 0.00 0 557 56 56 LEU CB C 13 40.433 0.13 0 558 56 56 LEU CD1 C 13 23.082 0.00 0 559 56 56 LEU CD2 C 13 20.600 0.00 0 560 56 56 LEU CG C 13 26.798 0.00 0 561 56 56 LEU H H 1 8.132 0.00 0 562 56 56 LEU HA H 1 4.031 0.00 0 563 56 56 LEU HB2 H 1 1.169 0.00 0 564 56 56 LEU HB3 H 1 2.090 0.00 0 565 56 56 LEU HD1 H 1 0.589 0.00 0 566 56 56 LEU HD2 H 1 0.490 0.00 0 567 56 56 LEU HG H 1 0.722 0.00 0 568 56 56 LEU N N 15 118.117 0.00 0 569 57 57 SER CA C 13 61.124 0.00 0 570 57 57 SER CB C 13 62.567 0.00 0 571 57 57 SER H H 1 8.470 0.00 0 572 57 57 SER HA H 1 4.222 0.00 0 573 57 57 SER HB2 H 1 3.723 0.00 0 574 57 57 SER HB3 H 1 3.820 0.00 0 575 57 57 SER N N 15 113.594 0.00 0 576 58 58 ASP CA C 13 57.443 0.00 0 577 58 58 ASP CB C 13 40.325 0.01 0 578 58 58 ASP H H 1 7.928 0.00 0 579 58 58 ASP HA H 1 4.254 0.00 0 580 58 58 ASP HB2 H 1 2.977 0.00 0 581 58 58 ASP HB3 H 1 2.247 0.00 0 582 58 58 ASP N N 15 124.601 0.00 0 583 59 59 TYR CA C 13 58.271 0.00 0 584 59 59 TYR CB C 13 40.002 0.00 0 585 59 59 TYR H H 1 7.242 0.00 0 586 59 59 TYR HA H 1 4.623 0.00 0 587 59 59 TYR HB2 H 1 2.502 0.00 0 588 59 59 TYR HB3 H 1 3.433 0.00 0 589 59 59 TYR N N 15 115.842 0.00 0 590 60 60 ASN CA C 13 54.163 0.00 0 591 60 60 ASN CB C 13 37.346 0.05 0 592 60 60 ASN H H 1 8.142 0.00 0 593 60 60 ASN HA H 1 4.317 0.00 0 594 60 60 ASN HB2 H 1 3.260 0.00 0 595 60 60 ASN HB3 H 1 2.766 0.00 0 596 60 60 ASN N N 15 116.089 0.00 0 597 61 61 ILE CA C 13 62.437 0.00 0 598 61 61 ILE CB C 13 36.635 0.00 0 599 61 61 ILE CD1 C 13 14.408 0.00 0 600 61 61 ILE CG1 C 13 28.361 0.13 0 601 61 61 ILE CG2 C 13 17.231 0.00 0 602 61 61 ILE H H 1 7.239 0.00 0 603 61 61 ILE HA H 1 3.351 0.00 0 604 61 61 ILE HB H 1 1.366 0.00 0 605 61 61 ILE HD1 H 1 0.383 0.00 0 606 61 61 ILE HG12 H 1 -0.379 0.00 0 607 61 61 ILE HG13 H 1 1.079 0.00 0 608 61 61 ILE HG2 H 1 0.443 0.00 0 609 61 61 ILE N N 15 118.964 0.00 0 610 62 62 GLN CA C 13 53.625 0.00 0 611 62 62 GLN CB C 13 31.500 0.00 0 612 62 62 GLN CG C 13 33.400 0.00 0 613 62 62 GLN H H 1 7.621 0.00 0 614 62 62 GLN HA H 1 4.450 0.00 0 615 62 62 GLN HB2 H 1 1.840 0.00 0 616 62 62 GLN HB3 H 1 1.840 0.00 0 617 62 62 GLN HG2 H 1 2.290 0.00 0 618 62 62 GLN HG3 H 1 2.243 0.00 0 619 62 62 GLN N N 15 125.034 0.00 0 620 63 63 LYS CA C 13 57.869 0.00 0 621 63 63 LYS CB C 13 32.500 0.00 0 622 63 63 LYS CD C 13 29.750 0.00 0 623 63 63 LYS CE C 13 42.056 0.06 0 624 63 63 LYS CG C 13 23.952 0.00 0 625 63 63 LYS H H 1 8.490 0.00 0 626 63 63 LYS HA H 1 3.947 0.00 0 627 63 63 LYS HB2 H 1 2.010 0.00 0 628 63 63 LYS HB3 H 1 1.840 0.00 0 629 63 63 LYS HD2 H 1 1.712 0.00 0 630 63 63 LYS HD3 H 1 1.690 0.00 0 631 63 63 LYS HE2 H 1 3.006 0.00 0 632 63 63 LYS HE3 H 1 2.990 0.00 0 633 63 63 LYS HG2 H 1 1.466 0.00 0 634 63 63 LYS HG3 H 1 1.440 0.00 0 635 63 63 LYS N N 15 120.648 0.00 0 636 64 64 GLU CA C 13 58.326 0.00 0 637 64 64 GLU CB C 13 25.983 0.00 0 638 64 64 GLU CG C 13 37.133 0.00 0 639 64 64 GLU H H 1 9.301 0.00 0 640 64 64 GLU HA H 1 3.317 0.00 0 641 64 64 GLU HB2 H 1 2.388 0.00 0 642 64 64 GLU HB3 H 1 2.519 0.00 0 643 64 64 GLU HG2 H 1 2.221 0.00 0 644 64 64 GLU HG3 H 1 2.221 0.00 0 645 64 64 GLU N N 15 114.573 0.00 0 646 65 65 SER CA C 13 61.531 0.00 0 647 65 65 SER CB C 13 64.975 0.00 0 648 65 65 SER H H 1 7.657 0.00 0 649 65 65 SER HA H 1 4.604 0.00 0 650 65 65 SER HB2 H 1 3.869 0.00 0 651 65 65 SER HB3 H 1 3.604 0.00 0 652 65 65 SER N N 15 115.034 0.00 0 653 66 66 THR CA C 13 62.476 0.00 0 654 66 66 THR CB C 13 70.183 0.00 0 655 66 66 THR CG2 C 13 21.499 0.00 0 656 66 66 THR H H 1 8.739 0.00 0 657 66 66 THR HA H 1 5.249 0.00 0 658 66 66 THR HB H 1 4.051 0.00 0 659 66 66 THR HG2 H 1 0.913 0.00 0 660 66 66 THR N N 15 117.468 0.00 0 661 67 67 LEU CA C 13 53.824 0.00 0 662 67 67 LEU CB C 13 44.439 0.01 0 663 67 67 LEU CD1 C 13 24.883 0.00 0 664 67 67 LEU CD2 C 13 25.205 0.00 0 665 67 67 LEU CG C 13 29.627 0.00 0 666 67 67 LEU H H 1 9.409 0.00 0 667 67 67 LEU HA H 1 5.054 0.00 0 668 67 67 LEU HB2 H 1 1.579 0.00 0 669 67 67 LEU HB3 H 1 1.616 0.00 0 670 67 67 LEU HD1 H 1 0.667 0.00 0 671 67 67 LEU HD2 H 1 0.636 0.00 0 672 67 67 LEU HG H 1 1.751 0.00 0 673 67 67 LEU N N 15 127.609 0.00 0 674 68 68 HIS CA C 13 55.645 0.00 0 675 68 68 HIS CB C 13 31.495 0.00 0 676 68 68 HIS H H 1 9.233 0.00 0 677 68 68 HIS HA H 1 5.128 0.00 0 678 68 68 HIS HB2 H 1 2.911 0.00 0 679 68 68 HIS HB3 H 1 3.113 0.00 0 680 68 68 HIS N N 15 118.932 0.00 0 681 69 69 LEU CA C 13 53.854 0.00 0 682 69 69 LEU CB C 13 44.298 0.02 0 683 69 69 LEU CD1 C 13 26.119 0.00 0 684 69 69 LEU CD2 C 13 23.895 0.00 0 685 69 69 LEU CG C 13 27.581 0.00 0 686 69 69 LEU H H 1 8.303 0.00 0 687 69 69 LEU HA H 1 5.152 0.00 0 688 69 69 LEU HB2 H 1 1.590 0.00 0 689 69 69 LEU HB3 H 1 1.074 0.00 0 690 69 69 LEU HD1 H 1 0.716 0.00 0 691 69 69 LEU HD2 H 1 0.843 0.00 0 692 69 69 LEU HG H 1 1.295 0.00 0 693 69 69 LEU N N 15 124.283 0.00 0 694 70 70 VAL CA C 13 60.693 0.00 0 695 70 70 VAL CB C 13 34.825 0.00 0 696 70 70 VAL CG1 C 13 21.371 0.00 0 697 70 70 VAL CG2 C 13 20.680 0.00 0 698 70 70 VAL H H 1 9.194 0.00 0 699 70 70 VAL HA H 1 4.333 0.00 0 700 70 70 VAL HB H 1 1.989 0.00 0 701 70 70 VAL HG1 H 1 0.910 0.00 0 702 70 70 VAL HG2 H 1 0.811 0.00 0 703 70 70 VAL N N 15 127.188 0.00 0 704 71 71 LEU CA C 13 53.997 0.00 0 705 71 71 LEU CB C 13 42.823 0.00 0 706 71 71 LEU CD1 C 13 24.037 0.00 0 707 71 71 LEU CD2 C 13 23.963 0.00 0 708 71 71 LEU CG C 13 27.400 0.00 0 709 71 71 LEU H H 1 8.140 0.00 0 710 71 71 LEU HA H 1 5.000 0.00 0 711 71 71 LEU HB2 H 1 1.497 0.00 0 712 71 71 LEU HB3 H 1 1.648 0.00 0 713 71 71 LEU HD1 H 1 0.835 0.00 0 714 71 71 LEU HD2 H 1 0.811 0.00 0 715 71 71 LEU HG H 1 1.628 0.00 0 716 71 71 LEU N N 15 123.306 0.00 0 717 72 72 ARG CA C 13 55.536 0.00 0 718 72 72 ARG CB C 13 31.291 0.01 0 719 72 72 ARG CD C 13 43.501 0.00 0 720 72 72 ARG CG C 13 27.200 0.00 0 721 72 72 ARG H H 1 8.623 0.00 0 722 72 72 ARG HA H 1 4.254 0.00 0 723 72 72 ARG HB2 H 1 1.516 0.00 0 724 72 72 ARG HB3 H 1 1.490 0.00 0 725 72 72 ARG HD2 H 1 3.109 0.00 0 726 72 72 ARG HD3 H 1 3.090 0.00 0 727 72 72 ARG HG2 H 1 1.360 0.00 0 728 72 72 ARG HG3 H 1 1.360 0.00 0 729 72 72 ARG N N 15 123.910 0.00 0 730 73 73 LEU CA C 13 54.962 0.00 0 731 73 73 LEU CB C 13 42.364 0.00 0 732 73 73 LEU CD1 C 13 23.355 0.00 0 733 73 73 LEU CD2 C 13 24.965 0.00 0 734 73 73 LEU CG C 13 27.000 0.00 0 735 73 73 LEU H H 1 8.368 0.00 0 736 73 73 LEU HA H 1 4.351 0.00 0 737 73 73 LEU HB2 H 1 1.603 0.00 0 738 73 73 LEU HB3 H 1 1.506 0.00 0 739 73 73 LEU HD1 H 1 0.828 0.00 0 740 73 73 LEU HD2 H 1 0.877 0.00 0 741 73 73 LEU HG H 1 1.587 0.00 0 742 73 73 LEU N N 15 124.491 0.00 0 743 74 74 ARG CA C 13 56.162 0.00 0 744 74 74 ARG CB C 13 30.985 0.00 0 745 74 74 ARG CD C 13 43.478 0.00 0 746 74 74 ARG CG C 13 27.000 0.00 0 747 74 74 ARG H H 1 8.449 0.00 0 748 74 74 ARG HA H 1 4.309 0.00 0 749 74 74 ARG HB2 H 1 1.835 0.00 0 750 74 74 ARG HB3 H 1 1.741 0.00 0 751 74 74 ARG HD2 H 1 3.139 0.00 0 752 74 74 ARG HD3 H 1 3.149 0.00 0 753 74 74 ARG HG2 H 1 1.580 0.00 0 754 74 74 ARG HG3 H 1 1.580 0.00 0 755 74 74 ARG N N 15 122.059 0.00 0 756 75 75 GLY CA C 13 45.221 0.00 0 757 75 75 GLY H H 1 8.518 0.00 0 758 75 75 GLY HA3 H 1 3.962 0.00 0 759 75 75 GLY N N 15 110.479 0.00 0 760 76 76 GLY CA C 13 47.900 0.00 0 761 76 76 GLY H H 1 8.345 0.00 0 762 76 76 GLY HA3 H 1 3.973 0.00 0 763 76 76 GLY N N 15 108.792 0.00 0 stop_