============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 5 0.840 34.106 51.137 26.369 -99.200 -91.000 PHE 8 1.000 36.156 51.728 21.071 -99.200 -91.000 TYR 13 0.840 33.166 49.279 17.594 -99.200 -91.000 TYR 18 0.840 29.853 48.491 12.464 -99.200 -91.000 TRP 34 1.040 17.810 41.460 11.658 -99.200 -91.000 TRP6 34 1.020 18.043 42.487 13.778 -99.200 -91.000 PHE 43 1.000 14.235 56.344 11.751 -99.200 -91.000 TYR 63 0.840 25.381 50.713 12.389 -99.200 -91.000 HIS 71 0.900 11.590 59.620 8.266 -99.200 -91.000 PHE 72 1.000 13.565 62.264 13.933 -99.200 -91.000 PHE 80 1.000 33.540 57.904 29.201 -99.200 -91.000 TRP 91 1.040 31.672 59.252 6.695 -99.200 -91.000 TRP6 91 1.020 29.424 59.979 6.808 -99.200 -91.000 PHE 99 1.000 34.811 52.088 8.273 -99.200 -91.000 TRP 101 1.040 30.959 54.861 8.212 -99.200 -91.000 TRP6 101 1.020 30.420 52.877 9.383 -99.200 -91.000 TYR 104 0.840 27.921 49.009 6.997 -99.200 -91.000 HIS 107 0.900 23.754 46.361 0.605 -99.200 -91.000 TRP 118 1.040 26.829 55.711 -3.399 -99.200 -91.000 TRP6 118 1.020 28.807 56.716 -2.584 -99.200 -91.000 HIS 138 0.900 27.776 53.985 33.337 -99.200 -91.000 PHE 160 1.000 25.500 46.485 18.210 -99.200 -91.000 PHE 172 1.000 20.490 47.389 29.256 -99.200 -91.000 HIS 178 0.900 21.755 57.387 34.949 -99.200 -91.000 HIS 188 0.900 7.923 57.017 18.371 -99.200 -91.000 TRP 199 1.040 34.444 37.685 25.354 -99.200 -91.000 TRP6 199 1.020 35.736 37.732 23.370 -99.200 -91.000 TYR 200 0.840 33.023 45.800 22.521 -99.200 -91.000 TYR 226 0.840 11.801 54.243 26.656 -99.200 -91.000 TYR 234 0.840 21.433 38.498 12.309 -99.200 -91.000 HIS 239 0.900 30.571 34.238 6.579 -99.200 -91.000 PHE 251 1.000 18.869 44.873 22.469 -99.200 -91.000 PHE 252 1.000 14.785 48.208 15.518 -99.200 -91.000 TRP 254 1.040 9.147 52.284 17.231 -99.200 -91.000 TRP6 254 1.020 7.482 51.764 15.635 -99.200 -91.000