============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 13 0.840 -2.170 -15.032 22.736 -99.200 -91.000 TYR 33 0.840 -3.165 -13.175 35.317 -99.200 -91.000 TYR 35 0.840 -5.742 -15.820 29.681 -99.200 -91.000 HIS 53 0.900 8.112 -43.587 22.117 -99.200 -91.000 TYR 56 0.840 -1.628 -44.995 14.793 -99.200 -91.000 TRP 78 1.040 -16.018 -41.965 28.618 -99.200 -91.000 TRP6 78 1.020 -17.634 -43.353 29.649 -99.200 -91.000 TYR 79 0.840 -15.444 -35.953 24.385 -99.200 -91.000 PHE 89 1.000 -17.125 -38.520 32.261 -99.200 -91.000 PHE 98 1.000 -5.553 -42.327 26.978 -99.200 -91.000 HIS 102 0.900 -0.005 -35.374 16.298 -99.200 -91.000 TRP 107 1.040 -11.485 -37.133 6.980 -99.200 -91.000 TRP6 107 1.020 -11.510 -35.521 5.247 -99.200 -91.000 TYR 126 0.840 -18.574 -13.061 39.399 -99.200 -91.000 TRP 133 1.040 -10.159 -9.925 41.099 -99.200 -91.000 TRP6 133 1.020 -11.373 -8.439 39.721 -99.200 -91.000 PHE 146 1.000 -12.959 -27.871 27.254 -99.200 -91.000 TYR 150 0.840 -5.779 -24.862 37.459 -99.200 -91.000 TYR 168 0.840 -3.711 -17.830 42.363 -99.200 -91.000 PHE 170 1.000 -6.272 -29.833 39.090 -99.200 -91.000 TYR 180 0.840 6.466 -34.254 36.716 -99.200 -91.000 PHE 186 1.000 5.238 -16.689 40.174 -99.200 -91.000 TYR 187 0.840 4.940 -17.615 33.268 -99.200 -91.000 PHE 193 1.000 -8.006 -14.264 37.518 -99.200 -91.000 HIS 196 0.900 -13.933 -26.086 47.535 -99.200 -91.000 HIS 197 0.900 -20.676 -24.755 45.620 -99.200 -91.000 PHE 208 1.000 -3.115 -38.440 29.277 -99.200 -91.000 HIS 211 0.900 1.338 -35.204 26.364 -99.200 -91.000 PHE 216 1.000 4.902 -34.298 32.351 -99.200 -91.000 PHE 221 1.000 -11.385 -27.096 36.135 -99.200 -91.000 PHE 222 1.000 -15.298 -32.442 29.702 -99.200 -91.000 PHE 235 1.000 -11.155 -26.236 40.647 -99.200 -91.000 TYR 237 0.840 -10.032 -24.062 44.985 -99.200 -91.000 PHE 241 1.000 -7.095 -24.144 48.477 -99.200 -91.000 TRP 242 1.040 -10.746 -26.465 50.809 -99.200 -91.000 TRP6 242 1.020 -11.358 -24.336 51.631 -99.200 -91.000 PHE 249 1.000 -8.617 -19.449 52.970 -99.200 -91.000 HIS 260 0.900 -13.096 -28.941 52.642 -99.200 -91.000