============================================================================= 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 13 1.000 0.554 2.728 -11.611 -99.200 -91.000 PHE 15 1.000 -2.986 -0.074 -1.189 -99.200 -91.000 HIS 23 0.900 -0.187 -10.161 -1.212 -99.200 -91.000 PHE 48 1.000 3.200 -21.745 -3.724 -99.200 -91.000 PHE 49 1.000 2.792 -20.085 -8.427 -99.200 -91.000 PHE 65 1.000 7.283 -15.359 -17.319 -99.200 -91.000 HIS 69 0.900 20.600 -19.400 -16.782 -99.200 -91.000 TRP 74 1.040 3.700 -23.528 -13.357 -99.200 -91.000 TRP6 74 1.020 2.885 -21.417 -12.690 -99.200 -91.000 PHE 81 1.000 -8.465 -13.773 -20.951 -99.200 -91.000 TYR 82 0.840 -4.229 -11.238 -19.930 -99.200 -91.000 TRP 102 1.040 6.366 -3.048 -9.593 -99.200 -91.000 TRP6 102 1.020 5.023 -4.862 -10.283 -99.200 -91.000 HIS 103 0.900 12.317 -3.858 -15.277 -99.200 -91.000 HIS 115 0.900 1.270 -0.197 -24.050 -99.200 -91.000 TYR 132 0.840 16.261 -14.470 -11.018 -99.200 -91.000 TYR 134 0.840 11.037 -13.298 -15.102 -99.200 -91.000 PHE 143 1.000 -14.760 -1.388 -14.850 -99.200 -91.000 TYR 177 0.840 -17.526 12.984 -19.611 -99.200 -91.000 TYR 181 0.840 -14.348 16.726 -24.285 -99.200 -91.000 HIS 184 0.900 -8.421 12.556 -29.720 -99.200 -91.000 PHE 191 1.000 -19.403 17.657 -18.864 -99.200 -91.000 PHE 197 1.000 1.792 12.122 -19.726 -99.200 -91.000 TYR 206 0.840 4.504 3.888 -22.544 -99.200 -91.000 TYR 210 0.840 -6.012 11.762 -21.140 -99.200 -91.000