============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 3 1.000 13.443 -14.822 -8.736 -99.200 -91.000 TYR 11 0.840 32.097 -7.564 -16.202 -99.200 -91.000 TRP 14 1.040 29.999 -18.533 -18.156 -99.200 -91.000 TRP6 14 1.020 31.726 -16.994 -18.660 -99.200 -91.000 TRP 37 1.040 18.642 -18.562 -17.918 -99.200 -91.000 TRP6 37 1.020 19.868 -19.141 -15.984 -99.200 -91.000 TRP 51 1.040 26.865 -17.214 -7.659 -99.200 -91.000 TRP6 51 1.020 25.329 -18.910 -7.040 -99.200 -91.000 TYR 57 0.840 38.873 -19.503 -19.576 -99.200 -91.000 PHE 58 1.000 31.645 -23.304 -16.568 -99.200 -91.000 PHE 80 1.000 23.424 -21.185 -1.414 -99.200 -91.000 PHE 90 1.000 15.778 -16.049 -5.079 -99.200 -91.000 TYR 95 0.840 4.491 -18.882 8.253 -99.200 -91.000 TYR 99 0.840 9.470 -11.844 4.202 -99.200 -91.000 PHE 108 1.000 30.451 -5.406 -5.793 -99.200 -91.000 PHE 114 1.000 16.306 -10.122 -5.864 -99.200 -91.000 PHE 152 1.000 42.024 -10.527 7.775 -99.200 -91.000 TYR 157 0.840 37.423 -9.528 10.711 -99.200 -91.000 TYR 169 0.840 39.294 -5.589 7.005 -99.200 -91.000 PHE 172 1.000 35.132 -1.307 0.790 -99.200 -91.000 PHE 173 1.000 32.683 -5.817 1.540 -99.200 -91.000 PHE 181 1.000 20.858 -8.521 5.443 -99.200 -91.000 TYR 183 0.840 27.494 -6.554 11.205 -99.200 -91.000 TYR 199 0.840 10.901 -11.005 -6.645 -99.200 -91.000 PHE 203 1.000 24.191 -10.939 -12.735 -99.200 -91.000