============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 12 1.000 33.930 30.610 64.642 -99.200 -91.000 PHE 35 1.000 27.882 30.785 64.144 -99.200 -91.000 TYR 50 0.840 50.716 12.804 68.934 -99.200 -91.000 TYR 55 0.840 47.571 16.003 64.826 -99.200 -91.000 TYR 65 0.840 26.645 23.664 73.793 -99.200 -91.000 PHE 67 1.000 20.983 22.576 79.486 -99.200 -91.000 PHE 74 1.000 42.177 14.518 67.580 -99.200 -91.000 TRP 79 1.040 50.438 4.858 66.867 -99.200 -91.000 TRP6 79 1.020 49.243 3.151 65.764 -99.200 -91.000 HIS 80 0.900 46.825 10.488 72.644 -99.200 -91.000 TRP 99 1.040 28.985 19.279 78.904 -99.200 -91.000 TRP6 99 1.020 30.327 20.770 77.655 -99.200 -91.000 TYR 133 0.840 51.958 6.145 76.201 -99.200 -91.000 PHE 140 1.000 52.360 6.045 71.248 -99.200 -91.000 TRP 147 1.040 49.837 6.290 61.623 -99.200 -91.000 TRP6 147 1.020 47.524 5.944 61.896 -99.200 -91.000 HIS 149 0.900 56.217 13.227 56.188 -99.200 -91.000 TYR 151 0.840 47.187 8.918 57.957 -99.200 -91.000