============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 21 1.000 -56.427 28.278 119.954 -99.200 -91.000 HIS 32 0.900 -66.068 38.504 121.701 -99.200 -91.000 PHE 56 1.000 -51.091 23.216 134.117 -99.200 -91.000 TYR 66 0.840 -54.234 32.179 110.727 -99.200 -91.000 TYR 84 0.840 -51.053 16.701 104.537 -99.200 -91.000 TYR 89 0.840 -69.320 21.624 105.218 -99.200 -91.000 TRP 104 1.040 -48.083 23.516 104.901 -99.200 -91.000 TRP6 104 1.020 -46.406 23.336 106.546 -99.200 -91.000 PHE 119 1.000 -57.123 15.228 105.173 -99.200 -91.000 TYR 122 0.840 -66.712 17.994 107.563 -99.200 -91.000 TYR 123 0.840 -66.807 7.618 104.444 -99.200 -91.000 TYR 138 0.840 -57.008 13.993 99.271 -99.200 -91.000 PHE 153 1.000 -53.892 9.488 108.317 -99.200 -91.000 TYR 154 0.840 -52.914 10.916 116.912 -99.200 -91.000 TYR 160 0.840 -71.619 14.612 104.817 -99.200 -91.000 PHE 172 1.000 -76.082 13.157 112.149 -99.200 -91.000 HIS 178 0.900 -75.750 2.654 109.231 -99.200 -91.000 PHE 186 1.000 -62.269 6.380 105.852 -99.200 -91.000 PHE 191 1.000 -59.133 3.126 103.908 -99.200 -91.000 PHE 205 1.000 -82.076 15.247 120.613 -99.200 -91.000 PHE 209 1.000 -76.364 11.390 130.853 -99.200 -91.000 PHE 216 1.000 -81.290 7.060 120.591 -99.200 -91.000 PHE 225 1.000 -70.979 6.155 124.833 -99.200 -91.000 TYR 236 0.840 -62.487 4.140 120.726 -99.200 -91.000 TYR 238 0.840 -65.412 8.693 123.021 -99.200 -91.000 PHE 248 1.000 -65.822 15.611 125.839 -99.200 -91.000 PHE 254 1.000 -74.388 6.314 129.622 -99.200 -91.000 PHE 262 1.000 -62.849 7.501 127.099 -99.200 -91.000 TRP 272 1.040 -59.030 26.520 123.045 -99.200 -91.000 TRP6 272 1.020 -60.196 27.720 121.373 -99.200 -91.000 TYR 279 0.840 -55.597 38.544 121.917 -99.200 -91.000 TRP 290 1.040 -60.829 33.511 131.226 -99.200 -91.000 TRP6 290 1.020 -60.816 31.430 130.088 -99.200 -91.000 PHE 296 1.000 -54.594 24.284 137.177 -99.200 -91.000 TRP 313 1.040 -51.468 5.118 123.367 -99.200 -91.000 TRP6 313 1.020 -49.449 4.041 122.744 -99.200 -91.000