============================================================================= 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 10 1.000 25.709 12.668 10.990 -99.200 -91.000 TYR 13 0.840 30.975 12.591 17.293 -99.200 -91.000 PHE 14 1.000 29.209 9.180 11.221 -99.200 -91.000 PHE 25 1.000 27.013 3.448 11.377 -99.200 -91.000 PHE 35 1.000 12.547 -7.079 11.014 -99.200 -91.000 HIS 36 0.900 14.059 -4.870 15.219 -99.200 -91.000 PHE 38 1.000 7.100 2.263 10.143 -99.200 -91.000 TYR 46 0.840 -9.005 0.911 5.604 -99.200 -91.000 TYR 65 0.840 19.654 9.837 -4.556 -99.200 -91.000 TYR 78 0.840 -5.956 -6.792 12.627 -99.200 -91.000 HIS 99 0.900 21.436 1.298 -6.122 -99.200 -91.000 TYR 104 0.840 10.724 -15.878 3.909 -99.200 -91.000 TYR 110 0.840 17.708 -13.571 9.425 -99.200 -91.000 TYR 113 0.840 20.510 -8.974 -0.475 -99.200 -91.000 PHE 117 1.000 29.279 -0.559 -1.814 -99.200 -91.000