============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 35 1.040 -57.813 33.332 38.935 -99.200 -91.000 TRP6 35 1.020 -59.908 32.388 39.424 -99.200 -91.000 TYR 36 0.840 -58.354 41.206 41.291 -99.200 -91.000 TYR 49 0.840 -49.187 39.765 36.586 -99.200 -91.000 TYR 55 0.840 -48.997 42.290 42.685 -99.200 -91.000 PHE 62 1.000 -53.327 31.942 47.549 -99.200 -91.000 PHE 71 1.000 -59.388 32.289 31.329 -99.200 -91.000 PHE 83 1.000 -63.146 33.153 56.171 -99.200 -91.000 TYR 86 0.840 -59.436 32.699 47.651 -99.200 -91.000 TYR 87 0.840 -65.299 38.538 44.773 -99.200 -91.000 TYR 91 0.840 -56.887 41.564 32.872 -99.200 -91.000 TYR 93 0.840 -63.052 49.650 26.947 -99.200 -91.000 TYR 94 0.840 -67.497 42.423 22.939 -99.200 -91.000 PHE 96 1.000 -62.884 46.175 36.167 -99.200 -91.000 PHE 98 1.000 -63.538 42.137 39.786 -99.200 -91.000 PHE 116 1.000 -67.292 33.178 78.789 -99.200 -91.000 PHE 118 1.000 -71.003 38.987 78.932 -99.200 -91.000 PHE 139 1.000 -69.694 28.532 67.665 -99.200 -91.000 TYR 140 0.840 -65.465 23.647 61.823 -99.200 -91.000 TRP 148 1.040 -81.822 34.154 74.372 -99.200 -91.000 TRP6 148 1.020 -80.451 34.973 76.111 -99.200 -91.000 TYR 173 0.840 -67.373 29.494 61.653 -99.200 -91.000 TYR 186 0.840 -83.982 42.345 83.323 -99.200 -91.000 HIS 189 0.900 -91.258 37.080 83.105 -99.200 -91.000 TYR 192 0.840 -84.599 37.534 82.486 -99.200 -91.000 HIS 198 0.900 -70.895 23.389 68.520 -99.200 -91.000 PHE 209 1.000 -79.220 37.277 84.099 -99.200 -91.000