============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 33 1.000 35.932 4.210 5.637 -99.200 -91.000 PHE 38 1.000 39.412 -1.150 0.335 -99.200 -91.000 TYR 46 0.840 38.681 -11.259 -0.852 -99.200 -91.000 PHE 52 1.000 39.755 -7.940 17.823 -99.200 -91.000 TYR 64 0.840 33.901 -9.292 9.318 -99.200 -91.000 HIS 67 0.900 24.304 -9.231 6.565 -99.200 -91.000 TYR 69 0.840 23.060 -5.519 1.457 -99.200 -91.000 TYR 80 0.840 34.102 -14.887 7.401 -99.200 -91.000 TYR 85 0.840 40.425 -12.501 19.775 -99.200 -91.000 TYR 92 0.840 43.801 -9.593 21.410 -99.200 -91.000 PHE 94 1.000 38.426 -13.310 12.172 -99.200 -91.000 TYR 111 0.840 29.973 -8.182 -6.444 -99.200 -91.000 PHE 117 1.000 35.268 -7.835 15.603 -99.200 -91.000 HIS 125 0.900 31.827 -5.951 20.776 -99.200 -91.000 TRP 128 1.040 33.410 -1.728 8.500 -99.200 -91.000 TRP6 128 1.020 33.638 -3.265 10.279 -99.200 -91.000 TRP 130 1.040 33.638 -3.147 3.850 -99.200 -91.000 TRP6 130 1.020 34.948 -4.524 2.426 -99.200 -91.000 TRP 138 1.040 45.472 -7.127 -9.675 -99.200 -91.000 TRP6 138 1.020 44.304 -6.913 -7.615 -99.200 -91.000