============================================================================= 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 26 1.000 26.855 3.666 20.969 -99.200 -91.000 TYR 49 0.840 14.306 3.323 16.301 -99.200 -91.000 PHE 68 1.000 31.461 6.556 7.016 -99.200 -91.000 PHE 79 1.000 30.571 -0.948 19.343 -99.200 -91.000 PHE 84 1.000 31.236 -16.348 9.174 -99.200 -91.000 HIS 86 0.900 35.119 -21.658 10.002 -99.200 -91.000 HIS 87 0.900 30.934 -25.682 14.539 -99.200 -91.000 TRP 98 1.040 43.966 -18.038 8.657 -99.200 -91.000 TRP6 98 1.020 43.901 -18.893 10.869 -99.200 -91.000 PHE 100 1.000 33.763 -14.080 4.980 -99.200 -91.000 TYR 110 0.840 45.780 -1.574 8.298 -99.200 -91.000 PHE 116 1.000 35.980 7.093 9.788 -99.200 -91.000 TYR 147 0.840 34.380 -15.266 17.215 -99.200 -91.000 PHE 165 1.000 48.275 6.611 17.607 -99.200 -91.000 PHE 202 1.000 26.110 -22.018 20.616 -99.200 -91.000 PHE 211 1.000 22.081 -18.632 24.586 -99.200 -91.000 TYR 223 0.840 31.739 2.759 32.361 -99.200 -91.000 TYR 231 0.840 42.731 7.942 35.350 -99.200 -91.000 TRP 243 1.040 32.161 -19.735 28.540 -99.200 -91.000 TRP6 243 1.020 32.217 -18.898 26.304 -99.200 -91.000