============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 3 1.000 4.363 -9.833 4.853 -99.200 -91.000 TRP 4 1.040 -2.123 -7.800 7.466 -99.200 -91.000 TRP6 4 1.020 -0.168 -6.890 8.440 -99.200 -91.000 PHE 11 1.000 -2.341 -12.012 17.159 -99.200 -91.000 PHE 17 1.000 2.970 -23.707 21.104 -99.200 -91.000 TRP 28 1.040 -6.520 -26.681 37.024 -99.200 -91.000 TRP6 28 1.020 -8.216 -25.060 37.281 -99.200 -91.000 PHE 46 1.000 3.926 -26.434 26.138 -99.200 -91.000 PHE 57 1.000 -3.605 -20.997 11.631 -99.200 -91.000 HIS 59 0.900 -3.402 -24.406 4.498 -99.200 -91.000 HIS 64 0.900 8.492 -19.950 9.357 -99.200 -91.000 PHE 86 1.000 6.224 -6.380 8.706 -99.200 -91.000 TYR 87 0.840 6.025 -15.560 8.688 -99.200 -91.000 TYR 103 0.840 -3.015 -12.781 35.433 -99.200 -91.000 HIS 120 0.900 16.039 -28.677 39.414 -99.200 -91.000 HIS 127 0.900 26.173 -27.851 32.924 -99.200 -91.000 PHE 137 1.000 21.258 -30.250 15.429 -99.200 -91.000 PHE 141 1.000 19.181 -32.835 10.612 -99.200 -91.000 PHE 144 1.000 15.708 -25.906 7.749 -99.200 -91.000 PHE 164 1.000 3.481 -37.994 17.839 -99.200 -91.000 HIS 170 0.900 7.540 -29.333 25.639 -99.200 -91.000 PHE 172 1.000 17.061 -33.849 27.882 -99.200 -91.000 TYR 176 0.840 17.548 -32.439 32.597 -99.200 -91.000 PHE 187 1.000 8.823 -10.898 24.588 -99.200 -91.000 TRP 196 1.040 10.993 -9.893 32.266 -99.200 -91.000 TRP6 196 1.020 10.569 -10.328 29.982 -99.200 -91.000 HIS 199 0.900 12.573 -14.287 28.236 -99.200 -91.000 TRP 200 1.040 20.895 -15.032 29.505 -99.200 -91.000 TRP6 200 1.020 22.519 -16.399 28.482 -99.200 -91.000 TYR 202 0.840 14.238 -20.471 29.005 -99.200 -91.000 TRP 203 1.040 14.246 -14.382 23.495 -99.200 -91.000 TRP6 203 1.020 13.177 -13.666 21.517 -99.200 -91.000 TYR 217 0.840 17.753 -31.620 5.683 -99.200 -91.000 TYR 219 0.840 23.522 -23.664 3.474 -99.200 -91.000 PHE 221 1.000 24.224 -34.608 8.296 -99.200 -91.000