============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 10 1.000 7.468 25.354 63.422 -99.200 -91.000 PHE 12 1.000 -3.360 24.225 63.401 -99.200 -91.000 PHE 15 1.000 -3.625 31.479 63.625 -99.200 -91.000 HIS 21 0.900 3.525 39.975 69.711 -99.200 -91.000 HIS 22 0.900 1.917 40.217 62.912 -99.200 -91.000 PHE 28 1.000 0.250 32.857 52.387 -99.200 -91.000 TYR 29 0.840 2.150 30.538 59.759 -99.200 -91.000 TYR 42 0.840 18.061 19.361 65.333 -99.200 -91.000 PHE 59 1.000 13.672 19.934 62.820 -99.200 -91.000 PHE 65 1.000 14.910 16.088 60.644 -99.200 -91.000 HIS 67 0.900 17.997 16.973 58.519 -99.200 -91.000 TYR 84 0.840 2.995 21.649 42.520 -99.200 -91.000 PHE 86 1.000 4.769 24.822 46.762 -99.200 -91.000 TYR 93 0.840 23.119 35.654 51.774 -99.200 -91.000 TYR 98 0.840 31.492 34.637 62.209 -99.200 -91.000 TYR 104 0.840 26.323 23.777 58.364 -99.200 -91.000 TYR 112 0.840 18.034 20.910 54.430 -99.200 -91.000 PHE 121 1.000 26.337 39.812 57.075 -99.200 -91.000 TRP 135 1.040 20.218 34.130 46.197 -99.200 -91.000 TRP6 135 1.020 18.997 33.134 47.946 -99.200 -91.000 PHE 167 1.000 0.834 27.091 45.698 -99.200 -91.000 TRP 171 1.040 -8.556 27.444 41.973 -99.200 -91.000 TRP6 171 1.020 -8.191 26.993 44.256 -99.200 -91.000 PHE 175 1.000 -13.228 29.650 41.822 -99.200 -91.000 PHE 185 1.000 -13.818 39.237 53.126 -99.200 -91.000 TYR 199 0.840 -21.552 31.462 40.892 -99.200 -91.000 PHE 204 1.000 -15.554 22.637 44.202 -99.200 -91.000 PHE 221 1.000 -4.163 24.759 45.123 -99.200 -91.000 PHE 248 1.000 -2.093 16.468 64.059 -99.200 -91.000 TRP 254 1.040 -13.426 20.666 63.656 -99.200 -91.000 TRP6 254 1.020 -12.335 22.715 64.091 -99.200 -91.000 TYR 267 0.840 -21.485 33.395 45.418 -99.200 -91.000 TYR 277 0.840 4.320 36.825 59.480 -99.200 -91.000 PHE 292 1.000 16.775 33.526 67.103 -99.200 -91.000 HIS 314 0.900 8.085 32.162 56.138 -99.200 -91.000 HIS 317 0.900 3.116 37.305 45.975 -99.200 -91.000 PHE 342 1.000 -17.036 27.621 52.285 -99.200 -91.000 HIS 346 0.900 -18.420 35.260 57.181 -99.200 -91.000 PHE 348 1.000 -11.378 33.265 53.524 -99.200 -91.000 PHE 350 1.000 -5.451 31.395 53.246 -99.200 -91.000 HIS 354 0.900 2.694 16.262 49.799 -99.200 -91.000 PHE 362 1.000 2.455 28.300 50.823 -99.200 -91.000 PHE 363 1.000 -3.701 28.122 59.769 -99.200 -91.000