============================================================================= 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. PHE 25 1.000 113.388 -30.990 94.731 -99.200 -91.000 HIS 28 0.900 109.356 -34.586 87.011 -99.200 -91.000 PHE 35 1.000 110.689 -35.368 72.600 -99.200 -91.000 TYR 40 0.840 113.253 -42.425 55.981 -99.200 -91.000 TYR 58 0.840 106.804 -24.739 63.593 -99.200 -91.000 TYR 66 0.840 108.821 -29.167 53.064 -99.200 -91.000 TYR 92 0.840 118.484 -8.514 69.929 -99.200 -91.000 TYR 95 0.840 111.053 -20.688 70.604 -99.200 -91.000 HIS 109 0.900 122.972 -34.323 55.531 -99.200 -91.000 PHE 111 1.000 122.467 -29.694 59.051 -99.200 -91.000 TYR 124 0.840 132.722 -36.155 66.946 -99.200 -91.000 PHE 133 1.000 131.997 -33.904 82.268 -99.200 -91.000 TYR 135 0.840 131.528 -31.927 71.478 -99.200 -91.000 TYR 142 0.840 132.951 -40.482 64.585 -99.200 -91.000 TYR 184 0.840 113.585 -41.792 65.897 -99.200 -91.000