============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. TYR 1 0.840 7.489 18.574 38.907 -99.200 -91.000 TYR 13 0.840 8.045 0.980 33.927 -99.200 -91.000 PHE 14 1.000 12.468 5.398 42.720 -99.200 -91.000 TYR 23 0.840 3.193 -10.381 44.532 -99.200 -91.000 TYR 37 0.840 14.875 -6.145 40.628 -99.200 -91.000 TYR 39 0.840 24.761 -5.748 34.733 -99.200 -91.000 TYR 40 0.840 14.168 -2.709 36.765 -99.200 -91.000 TYR 44 0.840 22.547 5.345 26.897 -99.200 -91.000 TYR 57 0.840 25.158 14.610 28.326 -99.200 -91.000 PHE 68 1.000 19.213 -7.185 24.775 -99.200 -91.000 TRP 79 1.040 13.463 11.534 15.947 -99.200 -91.000 TRP6 79 1.020 12.745 12.054 18.120 -99.200 -91.000 PHE 83 1.000 17.610 -1.057 26.722 -99.200 -91.000 PHE 89 1.000 24.960 -8.160 26.337 -99.200 -91.000