============================================================================= 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. HIS 6 0.900 25.125 -37.820 75.505 -99.200 -91.000 TYR 14 0.840 26.700 -29.778 86.533 -99.200 -91.000 PHE 30 1.000 31.885 -33.641 85.800 -99.200 -91.000 PHE 54 1.000 33.753 -28.137 92.455 -99.200 -91.000 TYR 55 0.840 30.375 -31.277 90.891 -99.200 -91.000 PHE 80 1.000 25.749 -25.722 82.110 -99.200 -91.000 PHE 82 1.000 25.088 -22.687 86.316 -99.200 -91.000 PHE 86 1.000 25.451 -20.315 98.120 -99.200 -91.000 TYR 88 0.840 25.700 -22.444 107.166 -99.200 -91.000 HIS 100 0.900 33.611 -25.105 77.118 -99.200 -91.000 PHE 101 1.000 28.878 -29.620 81.796 -99.200 -91.000 PHE 103 1.000 29.045 -33.028 76.869 -99.200 -91.000 PHE 116 1.000 32.026 -18.434 90.091 -99.200 -91.000 HIS 122 0.900 23.989 -10.939 91.076 -99.200 -91.000