============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 5 1.000 -34.800 22.026 4.374 -99.200 -91.000 TYR 9 0.840 -30.814 24.025 2.338 -99.200 -91.000 PHE 20 1.000 -41.894 4.123 8.218 -99.200 -91.000 PHE 35 1.000 -27.070 22.325 -1.592 -99.200 -91.000 PHE 45 1.000 -37.012 4.850 10.443 -99.200 -91.000 HIS 64 0.900 -20.332 13.794 9.941 -99.200 -91.000 HIS 68 0.900 -15.449 6.865 -3.614 -99.200 -91.000 HIS 70 0.900 -17.503 7.478 -9.057 -99.200 -91.000 TYR 78 0.840 -30.772 22.598 8.191 -99.200 -91.000 TYR 85 0.840 -37.014 19.463 7.971 -99.200 -91.000 PHE 88 1.000 -28.655 12.194 1.877 -99.200 -91.000 PHE 90 1.000 -31.326 17.955 -8.234 -99.200 -91.000 PHE 98 1.000 -36.786 4.298 -14.166 -99.200 -91.000 PHE 108 1.000 -25.593 11.121 -27.337 -99.200 -91.000 TYR 110 0.840 -26.206 0.068 -22.136 -99.200 -91.000 HIS 117 0.900 -16.659 5.531 -17.048 -99.200 -91.000 TYR 118 0.840 -23.404 4.477 -16.761 -99.200 -91.000 TYR 128 0.840 -14.890 6.130 1.320 -99.200 -91.000 HIS 130 0.900 -17.560 -4.001 0.488 -99.200 -91.000 HIS 136 0.900 -26.291 0.548 -0.314 -99.200 -91.000 PHE 160 1.000 -24.242 4.382 1.458 -99.200 -91.000 HIS 181 0.900 -37.099 -9.064 -8.070 -99.200 -91.000 PHE 182 1.000 -31.732 -5.693 -7.449 -99.200 -91.000 TYR 193 0.840 -26.129 -10.328 6.036 -99.200 -91.000 TRP 200 1.040 -26.643 -12.152 -5.136 -99.200 -91.000 TRP6 200 1.020 -26.257 -14.344 -5.931 -99.200 -91.000 PHE 207 1.000 -28.642 -12.244 -15.843 -99.200 -91.000 PHE 216 1.000 -30.427 -15.391 -9.215 -99.200 -91.000 TYR 217 0.840 -37.521 -14.487 -14.068 -99.200 -91.000 PHE 224 1.000 -36.830 -14.683 -0.666 -99.200 -91.000 TYR 232 0.840 -26.759 -16.947 -13.716 -99.200 -91.000 TRP 239 1.040 -27.786 -12.777 -21.018 -99.200 -91.000 TRP6 239 1.020 -26.051 -11.798 -19.746 -99.200 -91.000 HIS 241 0.900 -26.968 -9.640 -30.237 -99.200 -91.000 TYR 265 0.840 -10.908 -4.316 -1.592 -99.200 -91.000 HIS 270 0.900 -13.428 -10.085 -15.351 -99.200 -91.000 TRP 272 1.040 -16.857 -6.483 -19.683 -99.200 -91.000 TRP6 272 1.020 -18.418 -5.365 -18.295 -99.200 -91.000 TYR 279 0.840 -9.075 -8.472 -21.831 -99.200 -91.000 TYR 281 0.840 -17.318 -8.454 -27.719 -99.200 -91.000 HIS 284 0.900 -27.619 0.907 -29.509 -99.200 -91.000 PHE 295 1.000 -35.319 -3.673 -14.703 -99.200 -91.000