============================================================================= 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. TYR 6 0.840 -13.054 5.346 17.398 -99.200 -91.000 TYR 11 0.840 2.302 6.839 13.904 -99.200 -91.000 PHE 30 1.000 -13.524 -3.891 29.006 -99.200 -91.000 HIS 43 0.900 0.535 -21.142 1.744 -99.200 -91.000 TRP 56 1.040 1.015 7.254 8.297 -99.200 -91.000 TRP6 56 1.020 -1.305 7.679 8.025 -99.200 -91.000 HIS 63 0.900 -7.761 2.642 2.005 -99.200 -91.000 PHE 76 1.000 -19.109 -7.543 17.951 -99.200 -91.000 PHE 92 1.000 -21.018 -10.159 13.568 -99.200 -91.000 TYR 130 0.840 -3.436 -14.765 34.873 -99.200 -91.000 HIS 132 0.900 -12.560 -15.195 28.787 -99.200 -91.000 TYR 144 0.840 -3.445 -20.281 36.070 -99.200 -91.000 PHE 150 1.000 13.411 -20.747 23.857 -99.200 -91.000 HIS 159 0.900 16.818 -9.505 11.005 -99.200 -91.000 PHE 169 1.000 23.315 -16.984 15.971 -99.200 -91.000 PHE 179 1.000 9.215 -14.238 33.108 -99.200 -91.000 TYR 190 0.840 20.522 -6.929 25.429 -99.200 -91.000 HIS 191 0.900 22.023 -5.139 30.981 -99.200 -91.000 TYR 201 0.840 32.245 -8.355 16.834 -99.200 -91.000 HIS 237 0.900 23.904 -15.773 35.482 -99.200 -91.000 PHE 252 1.000 20.182 -20.095 4.841 -99.200 -91.000 PHE 253 1.000 15.267 -24.265 -1.015 -99.200 -91.000 TYR 258 0.840 18.246 -25.394 2.299 -99.200 -91.000 PHE 262 1.000 21.459 -14.753 2.997 -99.200 -91.000 TRP 272 1.040 25.373 -21.873 -3.580 -99.200 -91.000 TRP6 272 1.020 23.597 -21.308 -5.036 -99.200 -91.000 TYR 282 0.840 20.845 -26.453 10.370 -99.200 -91.000 HIS 283 0.900 22.197 -34.188 14.314 -99.200 -91.000 TYR 289 0.840 29.157 -23.429 19.793 -99.200 -91.000 PHE 298 1.000 16.948 -28.918 7.106 -99.200 -91.000 TRP 303 1.040 6.157 -29.731 2.525 -99.200 -91.000 TRP6 303 1.020 5.218 -29.093 4.608 -99.200 -91.000 TRP 306 1.040 11.321 -28.116 7.031 -99.200 -91.000 TRP6 306 1.020 11.080 -26.825 9.076 -99.200 -91.000 HIS 308 0.900 18.183 -36.260 6.213 -99.200 -91.000 PHE 309 1.000 18.111 -31.135 11.814 -99.200 -91.000 PHE 310 1.000 10.794 -34.409 14.496 -99.200 -91.000 PHE 363 1.000 -0.360 -26.793 23.625 -99.200 -91.000 TRP 367 1.040 4.104 -31.021 16.263 -99.200 -91.000 TRP6 367 1.020 4.264 -29.319 14.649 -99.200 -91.000 HIS 373 0.900 9.287 -10.987 18.899 -99.200 -91.000 PHE 382 1.000 -4.759 -11.436 23.812 -99.200 -91.000 PHE 425 1.000 11.504 -20.609 34.429 -99.200 -91.000 PHE 430 1.000 12.585 -25.659 26.147 -99.200 -91.000 HIS 431 0.900 8.919 -30.057 22.629 -99.200 -91.000 HIS 432 0.900 6.351 -32.258 24.983 -99.200 -91.000