============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 4 0.840 77.998 18.999 11.060 -99.200 -91.000 PHE 8 1.000 74.525 9.192 1.495 -99.200 -91.000 TYR 14 0.840 68.478 11.703 -8.304 -99.200 -91.000 TRP 15 1.040 71.980 6.177 -3.898 -99.200 -91.000 TRP6 15 1.020 70.667 5.282 -2.170 -99.200 -91.000 PHE 19 1.000 75.574 16.427 5.196 -99.200 -91.000 PHE 28 1.000 72.598 15.987 -7.963 -99.200 -91.000 PHE 48 1.000 85.112 30.342 3.081 -99.200 -91.000 TYR 60 0.840 67.120 10.946 20.486 -99.200 -91.000 TRP 61 1.040 67.317 12.991 12.540 -99.200 -91.000 TRP6 61 1.020 69.188 12.905 11.112 -99.200 -91.000 PHE 68 1.000 72.112 4.327 3.201 -99.200 -91.000 TRP 71 1.040 77.166 9.378 12.080 -99.200 -91.000 TRP6 71 1.020 76.980 11.440 13.195 -99.200 -91.000 PHE 78 1.000 95.445 22.791 -2.263 -99.200 -91.000