============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TYR 36 0.840 17.315 4.181 1.150 -99.200 -91.000 TYR 41 0.840 9.569 -10.282 -15.906 -99.200 -91.000 TYR 43 0.840 4.340 -13.208 -18.620 -99.200 -91.000 PHE 49 1.000 4.674 0.769 -28.789 -99.200 -91.000 TYR 56 0.840 5.717 -2.365 -25.711 -99.200 -91.000 PHE 58 1.000 5.676 2.041 -20.279 -99.200 -91.000 HIS 86 0.900 20.225 -9.593 -19.214 -99.200 -91.000 TYR 95 0.840 7.110 4.701 -25.561 -99.200 -91.000 PHE 98 1.000 14.306 8.254 -18.899 -99.200 -91.000 PHE 106 1.000 1.768 15.237 1.176 -99.200 -91.000 PHE 108 1.000 4.173 10.079 5.380 -99.200 -91.000 PHE 113 1.000 4.865 6.050 10.214 -99.200 -91.000