============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 9 1.000 -3.998 35.476 -26.850 -99.200 -91.000 PHE 17 1.000 8.462 32.050 -18.249 -99.200 -91.000 PHE 20 1.000 6.687 32.389 -22.685 -99.200 -91.000 HIS 23 0.900 -5.793 31.623 -24.601 -99.200 -91.000 TYR 24 0.840 -5.754 35.900 -18.906 -99.200 -91.000 HIS 37 0.900 -2.249 23.310 -19.521 -99.200 -91.000 TRP 46 1.040 -13.034 26.075 -23.341 -99.200 -91.000 TRP6 46 1.020 -14.376 27.616 -22.148 -99.200 -91.000 TYR 49 0.840 -8.667 22.920 -14.883 -99.200 -91.000 TYR 50 0.840 -15.379 20.933 -21.836 -99.200 -91.000 PHE 56 1.000 -14.438 25.579 -9.057 -99.200 -91.000 TYR 61 0.840 -14.919 30.829 -5.250 -99.200 -91.000 PHE 71 1.000 1.702 21.700 -22.263 -99.200 -91.000 HIS 104 0.900 -8.932 30.591 -2.789 -99.200 -91.000 PHE 118 1.000 1.801 30.992 -7.021 -99.200 -91.000 TYR 122 0.840 6.702 32.532 -6.829 -99.200 -91.000 PHE 142 1.000 1.838 -0.207 -2.664 -99.200 -91.000 PHE 154 1.000 7.660 11.418 -22.313 -99.200 -91.000 TYR 157 0.840 3.914 15.963 -25.514 -99.200 -91.000 TYR 162 0.840 -9.314 11.299 -34.647 -99.200 -91.000 PHE 172 1.000 -6.390 12.376 -19.503 -99.200 -91.000 TYR 174 0.840 -13.699 2.666 -14.717 -99.200 -91.000 TRP 188 1.040 -6.129 15.320 -35.375 -99.200 -91.000 TRP6 188 1.020 -3.969 14.458 -34.945 -99.200 -91.000 HIS 197 0.900 3.065 25.237 -27.879 -99.200 -91.000 PHE 201 1.000 6.020 17.601 -22.158 -99.200 -91.000 TRP 213 1.040 9.017 17.509 -14.029 -99.200 -91.000 TRP6 213 1.020 6.798 17.621 -14.842 -99.200 -91.000 PHE 227 1.000 -11.077 18.183 -1.794 -99.200 -91.000 TRP 230 1.040 -4.250 9.790 -7.629 -99.200 -91.000 TRP6 230 1.020 -2.573 11.266 -6.834 -99.200 -91.000 PHE 236 1.000 -2.544 8.854 -18.738 -99.200 -91.000 HIS 241 0.900 3.763 9.424 -6.487 -99.200 -91.000 TRP 247 1.040 0.519 8.975 5.394 -99.200 -91.000 TRP6 247 1.020 0.077 8.720 7.721 -99.200 -91.000 HIS 255 0.900 -14.082 12.890 -2.292 -99.200 -91.000 PHE 257 1.000 -13.992 12.598 -7.438 -99.200 -91.000 HIS 262 0.900 -3.440 11.960 -15.114 -99.200 -91.000 TRP 263 1.040 -9.851 16.083 -17.788 -99.200 -91.000 TRP6 263 1.020 -10.831 15.992 -19.943 -99.200 -91.000 TRP 266 1.040 -14.371 16.479 -19.364 -99.200 -91.000 TRP6 266 1.020 -14.807 14.352 -20.284 -99.200 -91.000 HIS 268 0.900 -16.361 10.214 -10.889 -99.200 -91.000 PHE 272 1.000 -12.405 19.260 -9.176 -99.200 -91.000 PHE 279 1.000 -9.939 22.970 0.513 -99.200 -91.000 HIS 282 0.900 -19.054 26.486 3.439 -99.200 -91.000