============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 1 0.900 -27.671 8.267 -12.890 -99.200 -91.000 PHE 2 1.000 -27.801 6.089 -16.091 -99.200 -91.000 TYR 9 0.840 -32.997 -3.297 -22.966 -99.200 -91.000 TYR 16 0.840 -18.179 -14.893 -26.585 -99.200 -91.000 HIS 22 0.900 -17.094 -21.130 -21.074 -99.200 -91.000 PHE 23 1.000 -22.236 -18.449 -27.337 -99.200 -91.000 HIS 42 0.900 -31.922 -25.533 -21.676 -99.200 -91.000 PHE 45 1.000 -30.051 -16.009 -20.874 -99.200 -91.000 TYR 56 0.840 -37.130 -7.400 -13.625 -99.200 -91.000 TYR 65 0.840 -38.201 -13.068 -15.141 -99.200 -91.000 TYR 75 0.840 -31.682 -17.243 -7.201 -99.200 -91.000 PHE 86 1.000 -28.372 -9.417 -12.453 -99.200 -91.000 HIS 94 0.900 -16.504 -3.807 -27.644 -99.200 -91.000 TYR 95 0.840 -15.288 -6.440 -23.795 -99.200 -91.000 TYR 98 0.840 -25.822 -7.395 -18.435 -99.200 -91.000 HIS 103 0.900 -26.894 -8.386 -2.546 -99.200 -91.000 TRP 108 1.040 -21.080 -8.862 -3.931 -99.200 -91.000 TRP6 108 1.020 -22.626 -10.007 -2.551 -99.200 -91.000 PHE 109 1.000 -18.882 -5.650 -11.336 -99.200 -91.000 HIS 125 0.900 -11.442 -7.709 -8.891 -99.200 -91.000 TYR 126 0.840 -16.701 -1.303 -11.761 -99.200 -91.000 PHE 133 1.000 -21.297 -11.847 -19.037 -99.200 -91.000