============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 10 1.000 6.167 -36.599 3.461 -99.200 -91.000 TRP 15 1.040 5.080 -49.670 11.249 -99.200 -91.000 TRP6 15 1.020 4.495 -47.507 12.019 -99.200 -91.000 TYR 34 0.840 5.750 -27.994 -2.616 -99.200 -91.000 TYR 47 0.840 8.034 -39.026 17.253 -99.200 -91.000 PHE 58 1.000 5.995 -40.893 11.980 -99.200 -91.000 TRP 62 1.040 -0.444 -45.734 13.930 -99.200 -91.000 TRP6 62 1.020 -2.250 -47.257 13.843 -99.200 -91.000 TYR 73 0.840 11.953 -36.306 20.618 -99.200 -91.000 TYR 91 0.840 0.083 -51.095 17.558 -99.200 -91.000 PHE 107 1.000 -3.251 -56.893 26.299 -99.200 -91.000 HIS 113 0.900 -4.177 -70.560 27.424 -99.200 -91.000 TYR 122 0.840 6.570 -65.015 17.148 -99.200 -91.000 PHE 143 1.000 -2.395 -57.489 31.937 -99.200 -91.000 PHE 148 1.000 4.796 -65.301 27.628 -99.200 -91.000 PHE 174 1.000 -1.224 -61.748 15.379 -99.200 -91.000 TRP 177 1.040 -1.425 -52.540 11.972 -99.200 -91.000 TRP6 177 1.020 0.458 -53.895 12.455 -99.200 -91.000 HIS 180 0.900 -1.649 -55.251 7.649 -99.200 -91.000 PHE 186 1.000 -2.752 -64.020 8.307 -99.200 -91.000 TYR 190 0.840 -7.622 -56.591 16.482 -99.200 -91.000 PHE 198 1.000 -0.231 -52.731 23.009 -99.200 -91.000 TYR 202 0.840 -11.804 -55.636 22.063 -99.200 -91.000 HIS 208 0.900 -3.372 -37.472 16.566 -99.200 -91.000 TYR 215 0.840 7.601 -28.187 6.831 -99.200 -91.000 PHE 231 1.000 -3.651 -39.921 4.846 -99.200 -91.000 TRP 257 1.040 -7.968 -45.430 -3.232 -99.200 -91.000 TRP6 257 1.020 -8.549 -43.261 -2.481 -99.200 -91.000 TRP 268 1.040 -7.100 -35.217 1.231 -99.200 -91.000 TRP6 268 1.020 -6.401 -37.166 0.086 -99.200 -91.000