============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 9 1.000 14.821 48.163 77.422 -99.200 -91.000 TYR 10 0.840 8.574 53.576 80.135 -99.200 -91.000 TYR 14 0.840 9.741 63.880 75.281 -99.200 -91.000 TYR 15 0.840 16.794 60.139 70.837 -99.200 -91.000 PHE 32 1.000 30.196 64.483 75.893 -99.200 -91.000 HIS 92 0.900 0.547 44.529 96.314 -99.200 -91.000 PHE 100 1.000 -4.100 37.586 102.237 -99.200 -91.000 PHE 104 1.000 11.742 43.369 100.788 -99.200 -91.000 TYR 111 0.840 25.244 44.275 95.886 -99.200 -91.000 TYR 123 0.840 9.235 34.256 99.414 -99.200 -91.000 TYR 142 0.840 26.417 61.362 87.795 -99.200 -91.000 HIS 163 0.900 10.590 26.840 92.388 -99.200 -91.000 TYR 177 0.840 36.585 43.068 98.182 -99.200 -91.000 TYR 182 0.840 32.649 57.879 102.596 -99.200 -91.000 PHE 184 1.000 27.159 57.829 92.778 -99.200 -91.000 TRP 185 1.040 29.554 60.776 99.985 -99.200 -91.000 TRP6 185 1.020 31.511 61.374 98.788 -99.200 -91.000 HIS 190 0.900 24.943 67.047 99.527 -99.200 -91.000 TYR 192 0.840 21.746 68.027 90.740 -99.200 -91.000 TYR 204 0.840 33.293 49.097 87.142 -99.200 -91.000 PHE 208 1.000 35.506 41.986 86.610 -99.200 -91.000 TRP 212 1.040 38.064 36.423 87.813 -99.200 -91.000 TRP6 212 1.020 36.635 34.711 87.017 -99.200 -91.000 TYR 215 0.840 32.315 32.326 90.132 -99.200 -91.000 PHE 226 1.000 32.060 32.420 84.018 -99.200 -91.000 PHE 231 1.000 32.240 42.719 82.748 -99.200 -91.000 HIS 232 0.900 26.717 49.643 87.347 -99.200 -91.000 PHE 235 1.000 32.283 55.780 81.978 -99.200 -91.000 TYR 262 0.840 31.755 45.690 77.665 -99.200 -91.000 TYR 268 0.840 18.605 46.288 73.502 -99.200 -91.000 TYR 271 0.840 21.998 53.106 70.401 -99.200 -91.000 TYR 276 0.840 22.490 56.293 89.591 -99.200 -91.000 TYR 281 0.840 20.317 42.516 87.253 -99.200 -91.000 PHE 302 1.000 31.824 43.458 89.693 -99.200 -91.000 TYR 304 0.840 31.419 49.332 92.190 -99.200 -91.000 PHE 312 1.000 32.025 36.544 88.021 -99.200 -91.000 TYR 313 0.840 24.512 37.178 89.645 -99.200 -91.000 TYR 321 0.840 18.354 32.270 75.000 -99.200 -91.000 HIS 324 0.900 9.578 31.270 76.662 -99.200 -91.000 HIS 330 0.900 12.959 44.083 75.466 -99.200 -91.000 TYR 345 0.840 19.918 67.536 79.128 -99.200 -91.000 PHE 348 1.000 11.232 67.696 78.268 -99.200 -91.000 PHE 349 1.000 19.288 67.758 85.235 -99.200 -91.000 PHE 352 1.000 12.690 63.857 87.370 -99.200 -91.000 PHE 357 1.000 2.975 67.021 88.332 -99.200 -91.000 HIS 365 0.900 -4.654 63.155 73.665 -99.200 -91.000 HIS 369 0.900 -2.824 52.631 74.339 -99.200 -91.000 PHE 371 1.000 0.395 51.496 85.425 -99.200 -91.000 TYR 372 0.840 0.028 60.510 82.421 -99.200 -91.000 TYR 383 0.840 2.251 57.415 90.645 -99.200 -91.000 HIS 384 0.900 -3.058 57.731 82.136 -99.200 -91.000