============================================================================= 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 -52.293 3.388 72.807 -99.200 -91.000 HIS 32 0.900 -57.575 9.599 60.821 -99.200 -91.000 PHE 56 1.000 -42.322 -8.441 68.627 -99.200 -91.000 TYR 66 0.840 -60.477 6.114 78.407 -99.200 -91.000 TYR 84 0.840 -51.195 8.547 91.821 -99.200 -91.000 TYR 89 0.840 -51.917 21.957 78.753 -99.200 -91.000 TRP 104 1.040 -57.242 4.687 89.488 -99.200 -91.000 TRP6 104 1.020 -56.630 2.398 89.478 -99.200 -91.000 PHE 119 1.000 -48.724 13.348 88.955 -99.200 -91.000 TYR 122 0.840 -48.455 19.318 80.901 -99.200 -91.000 TYR 123 0.840 -41.233 22.917 87.992 -99.200 -91.000 TYR 138 0.840 -50.678 16.637 93.574 -99.200 -91.000 PHE 153 1.000 -42.711 10.003 91.641 -99.200 -91.000 TYR 154 0.840 -39.994 4.313 85.535 -99.200 -91.000 TYR 160 0.840 -46.117 25.313 81.733 -99.200 -91.000 PHE 172 1.000 -40.566 25.143 75.081 -99.200 -91.000 HIS 178 0.900 -33.270 28.297 82.077 -99.200 -91.000 PHE 186 1.000 -39.887 18.751 90.195 -99.200 -91.000 PHE 191 1.000 -38.965 17.842 94.959 -99.200 -91.000 PHE 205 1.000 -37.179 25.348 64.978 -99.200 -91.000 PHE 209 1.000 -30.265 15.759 63.063 -99.200 -91.000 PHE 216 1.000 -30.791 25.747 69.240 -99.200 -91.000 PHE 225 1.000 -29.420 15.341 72.954 -99.200 -91.000 TYR 236 0.840 -30.681 11.068 81.261 -99.200 -91.000 TYR 238 0.840 -33.105 11.116 75.857 -99.200 -91.000 PHE 248 1.000 -37.458 8.549 70.790 -99.200 -91.000 PHE 254 1.000 -26.587 15.578 67.750 -99.200 -91.000 PHE 262 1.000 -30.189 7.227 75.114 -99.200 -91.000 TRP 272 1.040 -48.645 3.792 70.342 -99.200 -91.000 TRP6 272 1.020 -50.169 5.603 70.220 -99.200 -91.000 TYR 279 0.840 -59.943 0.487 66.517 -99.200 -91.000 TRP 290 1.040 -50.065 0.349 60.368 -99.200 -91.000 TRP6 290 1.020 -48.907 0.880 62.367 -99.200 -91.000 PHE 296 1.000 -41.115 -7.471 64.081 -99.200 -91.000 TRP 313 1.040 -32.165 0.156 85.056 -99.200 -91.000 TRP6 313 1.020 -31.887 -1.096 87.047 -99.200 -91.000