============================================================================= 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. TYR 4 0.840 3.466 -24.339 10.658 -99.200 -91.000 PHE 19 1.000 13.913 -34.195 14.285 -99.200 -91.000 HIS 20 0.900 11.390 -31.280 10.810 -99.200 -91.000 HIS 43 0.900 18.830 -7.213 14.433 -99.200 -91.000 TYR 50 0.840 4.822 -20.934 -5.751 -99.200 -91.000 PHE 62 1.000 18.262 -19.313 3.717 -99.200 -91.000 TYR 64 0.840 21.830 -20.005 7.279 -99.200 -91.000 TYR 94 0.840 14.725 -16.554 14.362 -99.200 -91.000 TRP 95 1.040 10.125 -14.576 16.902 -99.200 -91.000 TRP6 95 1.020 11.902 -15.423 18.243 -99.200 -91.000 HIS 101 0.900 8.213 -29.490 8.179 -99.200 -91.000 TYR 102 0.840 4.360 -27.735 1.391 -99.200 -91.000 TRP 117 1.040 9.672 -6.834 -5.774 -99.200 -91.000 TRP6 117 1.020 11.736 -7.936 -6.209 -99.200 -91.000