============================================================================= 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 9 0.840 17.872 20.883 13.443 -99.200 -91.000 PHE 21 1.000 29.962 25.715 14.004 -99.200 -91.000 PHE 31 1.000 22.243 18.857 14.728 -99.200 -91.000 HIS 36 0.900 15.658 29.838 18.819 -99.200 -91.000 PHE 54 1.000 16.790 19.811 19.642 -99.200 -91.000 PHE 59 1.000 14.573 30.419 24.018 -99.200 -91.000 TRP 66 1.040 24.690 17.763 23.717 -99.200 -91.000 TRP6 66 1.020 25.226 15.606 23.018 -99.200 -91.000 PHE 84 1.000 30.641 20.893 0.831 -99.200 -91.000 TYR 108 0.840 29.284 31.360 3.823 -99.200 -91.000 TYR 122 0.840 15.819 36.201 21.519 -99.200 -91.000 TRP 146 1.040 26.147 33.602 13.198 -99.200 -91.000 TRP6 146 1.020 26.266 35.883 12.663 -99.200 -91.000 PHE 180 1.000 28.333 35.199 16.837 -99.200 -91.000 TYR 190 0.840 25.053 21.305 26.891 -99.200 -91.000