============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 14 1.000 -59.191 -57.792 11.721 -99.200 -91.000 TYR 19 0.840 -64.138 -58.736 13.810 -99.200 -91.000 TYR 39 0.840 -56.200 -56.375 28.441 -99.200 -91.000 TYR 40 0.840 -49.986 -50.494 27.079 -99.200 -91.000 HIS 41 0.900 -49.943 -50.746 22.223 -99.200 -91.000 PHE 42 1.000 -54.360 -52.088 19.170 -99.200 -91.000 PHE 49 1.000 -62.899 -54.270 11.460 -99.200 -91.000 TRP 60 1.040 -62.902 -40.518 3.012 -99.200 -91.000 TRP6 60 1.020 -63.328 -41.058 0.765 -99.200 -91.000 TRP 64 1.040 -62.839 -34.397 0.805 -99.200 -91.000 TRP6 64 1.020 -63.648 -34.140 -1.392 -99.200 -91.000 PHE 78 1.000 -73.969 -33.187 -2.330 -99.200 -91.000 TYR 79 0.840 -73.081 -32.704 -9.346 -99.200 -91.000 TYR 81 0.840 -67.036 -36.865 0.893 -99.200 -91.000 TYR 90 0.840 -67.872 -52.307 -8.569 -99.200 -91.000 TYR 91 0.840 -60.906 -48.908 -6.518 -99.200 -91.000 TYR 92 0.840 -61.822 -49.749 2.263 -99.200 -91.000 PHE 101 1.000 -66.416 -54.112 14.283 -99.200 -91.000 TYR 102 0.840 -73.384 -51.173 10.174 -99.200 -91.000 TYR 105 0.840 -68.605 -57.226 17.769 -99.200 -91.000 TYR 106 0.840 -77.836 -53.731 13.563 -99.200 -91.000 TYR 122 0.840 -68.787 -40.509 4.645 -99.200 -91.000 TYR 126 0.840 -71.598 -35.766 2.307 -99.200 -91.000 HIS 127 0.900 -70.841 -28.516 9.739 -99.200 -91.000 PHE 130 1.000 -74.632 -30.007 2.068 -99.200 -91.000 TRP 139 1.040 -75.006 -24.414 -0.186 -99.200 -91.000 TRP6 139 1.020 -73.929 -25.941 -1.622 -99.200 -91.000 PHE 161 1.000 -79.114 -50.674 1.516 -99.200 -91.000 PHE 175 1.000 -78.489 -37.943 -3.371 -99.200 -91.000 PHE 179 1.000 -79.300 -33.681 -0.389 -99.200 -91.000