============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 11 1.000 40.316 10.189 -8.289 -99.200 -91.000 TYR 15 0.840 40.294 4.785 -10.513 -99.200 -91.000 HIS 19 0.900 40.310 -3.581 -4.927 -99.200 -91.000 PHE 28 1.000 22.618 -3.782 -4.186 -99.200 -91.000 TYR 65 0.840 31.499 -5.676 4.121 -99.200 -91.000 PHE 67 1.000 33.502 -0.250 1.327 -99.200 -91.000 HIS 68 0.900 28.568 9.033 3.619 -99.200 -91.000 TRP 79 1.040 39.612 28.042 2.884 -99.200 -91.000 TRP6 79 1.020 39.835 28.938 5.076 -99.200 -91.000 PHE 86 1.000 31.393 23.211 9.125 -99.200 -91.000 PHE 91 1.000 23.786 19.261 9.381 -99.200 -91.000 HIS 95 0.900 20.548 13.455 6.405 -99.200 -91.000 TYR 118 0.840 45.988 13.580 11.639 -99.200 -91.000 TYR 140 0.840 37.590 18.194 3.063 -99.200 -91.000 TYR 154 0.840 25.434 8.181 15.281 -99.200 -91.000 TYR 158 0.840 23.345 6.206 19.198 -99.200 -91.000 HIS 164 0.900 36.688 9.499 10.198 -99.200 -91.000 PHE 168 1.000 47.707 11.908 5.972 -99.200 -91.000 HIS 170 0.900 41.507 11.175 -2.850 -99.200 -91.000 PHE 179 1.000 39.710 17.947 -5.697 -99.200 -91.000 PHE 184 1.000 50.186 22.392 -10.536 -99.200 -91.000 PHE 211 1.000 50.478 14.917 -3.823 -99.200 -91.000 TYR 221 0.840 39.094 4.491 1.221 -99.200 -91.000 TRP 222 1.040 38.670 -6.059 -0.232 -99.200 -91.000 TRP6 222 1.020 36.461 -6.730 0.256 -99.200 -91.000 TYR 227 0.840 41.600 -8.997 6.292 -99.200 -91.000 TYR 234 0.840 42.394 1.094 11.171 -99.200 -91.000 TRP 289 1.040 47.101 -0.255 1.201 -99.200 -91.000 TRP6 289 1.020 48.211 1.780 1.673 -99.200 -91.000 PHE 300 1.000 53.522 8.058 -19.093 -99.200 -91.000 TYR 306 0.840 43.439 16.130 -18.019 -99.200 -91.000