============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 21 0.900 8.667 -19.987 -26.550 -99.200 -91.000 PHE 23 1.000 3.824 -22.615 -23.920 -99.200 -91.000 TRP 31 1.040 -0.324 -24.216 -19.343 -99.200 -91.000 TRP6 31 1.020 -2.089 -22.905 -20.237 -99.200 -91.000 PHE 34 1.000 -2.398 -21.892 -31.378 -99.200 -91.000 HIS 46 0.900 1.847 -7.872 -37.125 -99.200 -91.000 PHE 54 1.000 -6.698 -17.481 -31.406 -99.200 -91.000 TYR 59 0.840 -5.639 -20.351 -27.730 -99.200 -91.000 TYR 68 0.840 13.623 -6.057 -24.112 -99.200 -91.000 TRP 69 1.040 13.505 -6.379 -18.539 -99.200 -91.000 TRP6 69 1.020 13.422 -4.141 -19.272 -99.200 -91.000 PHE 77 1.000 10.135 -9.678 -8.774 -99.200 -91.000 HIS 78 0.900 7.935 -9.478 -13.149 -99.200 -91.000 HIS 80 0.900 7.391 -17.274 -17.366 -99.200 -91.000 PHE 85 1.000 -5.646 -14.999 -24.974 -99.200 -91.000 TYR 95 0.840 -9.320 -12.983 -29.338 -99.200 -91.000 TYR 104 0.840 13.122 -5.406 -9.342 -99.200 -91.000 TYR 106 0.840 4.028 -9.012 -16.301 -99.200 -91.000