============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 10 1.000 -24.627 -10.920 -3.948 -99.200 -91.000 PHE 20 1.000 -17.086 -4.505 3.632 -99.200 -91.000 PHE 27 1.000 -22.853 0.736 -11.468 -99.200 -91.000 TYR 43 0.840 -8.620 -25.471 2.322 -99.200 -91.000 HIS 50 0.900 -20.698 -8.191 -3.619 -99.200 -91.000 PHE 52 1.000 -19.752 -1.286 -2.389 -99.200 -91.000 HIS 55 0.900 -13.862 3.030 -1.730 -99.200 -91.000 PHE 58 1.000 -11.999 -7.742 -5.644 -99.200 -91.000 PHE 60 1.000 -12.050 -13.379 -1.919 -99.200 -91.000 TYR 84 0.840 -8.454 -2.069 -9.289 -99.200 -91.000 TYR 89 0.840 -6.447 -8.398 3.245 -99.200 -91.000 TYR 97 0.840 -16.830 -32.694 6.868 -99.200 -91.000 TYR 104 0.840 -17.990 -9.916 2.997 -99.200 -91.000 PHE 121 1.000 -7.353 -7.249 -7.581 -99.200 -91.000 PHE 127 1.000 -5.451 -21.921 5.804 -99.200 -91.000 TYR 144 0.840 -0.241 -25.728 11.068 -99.200 -91.000 TYR 148 0.840 -5.131 -24.665 -1.166 -99.200 -91.000 HIS 160 0.900 -14.380 -0.700 -12.793 -99.200 -91.000 PHE 169 1.000 -26.796 3.791 -29.521 -99.200 -91.000 TRP 173 1.040 -25.109 9.344 -30.682 -99.200 -91.000 TRP6 173 1.020 -23.275 7.953 -30.148 -99.200 -91.000 PHE 180 1.000 -17.450 15.994 -20.862 -99.200 -91.000 PHE 186 1.000 -9.764 1.056 -30.226 -99.200 -91.000 PHE 204 1.000 -12.298 -5.650 -23.227 -99.200 -91.000 HIS 208 0.900 -29.378 -4.914 -24.571 -99.200 -91.000 HIS 223 0.900 -23.623 -5.085 -37.860 -99.200 -91.000 PHE 231 1.000 -17.450 3.589 -16.239 -99.200 -91.000 HIS 235 0.900 -22.306 10.450 -13.917 -99.200 -91.000