============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 8 0.900 -15.984 -2.601 4.030 -99.200 -91.000 HIS 12 0.900 -20.476 2.948 -6.583 -99.200 -91.000 PHE 15 1.000 -14.978 14.306 -2.860 -99.200 -91.000 PHE 17 1.000 -13.153 16.980 3.125 -99.200 -91.000 TYR 20 0.840 -7.101 15.830 11.199 -99.200 -91.000 TRP 33 1.040 -14.445 20.714 6.261 -99.200 -91.000 TRP6 33 1.020 -14.703 18.651 7.399 -99.200 -91.000 TRP 46 1.040 -12.935 4.392 2.098 -99.200 -91.000 TRP6 46 1.020 -13.364 3.457 4.224 -99.200 -91.000 HIS 53 0.900 -12.659 9.684 7.357 -99.200 -91.000 TRP 54 1.040 -17.924 3.836 5.609 -99.200 -91.000 TRP6 54 1.020 -18.359 3.408 3.312 -99.200 -91.000 TYR 66 0.840 -23.181 13.130 15.094 -99.200 -91.000 TYR 69 0.840 -28.228 5.210 22.068 -99.200 -91.000 HIS 71 0.900 -27.580 -0.231 13.700 -99.200 -91.000 PHE 72 1.000 -24.334 4.929 12.054 -99.200 -91.000 PHE 78 1.000 -11.721 13.947 18.609 -99.200 -91.000 TYR 87 0.840 -12.622 12.032 22.637 -99.200 -91.000 PHE 89 1.000 -10.449 14.529 26.347 -99.200 -91.000 PHE 102 1.000 -19.755 9.300 34.024 -99.200 -91.000 PHE 141 1.000 -11.704 38.912 16.946 -99.200 -91.000 TYR 145 0.840 -13.031 39.765 22.162 -99.200 -91.000 PHE 149 1.000 -15.401 37.203 25.763 -99.200 -91.000 PHE 154 1.000 -12.217 25.660 31.010 -99.200 -91.000 HIS 167 0.900 2.025 22.415 28.827 -99.200 -91.000 TYR 170 0.840 2.061 22.518 20.968 -99.200 -91.000 PHE 184 1.000 -6.914 12.496 21.250 -99.200 -91.000 TYR 192 0.840 -6.491 12.379 30.513 -99.200 -91.000 TYR 194 0.840 -2.443 22.147 33.902 -99.200 -91.000 PHE 247 1.000 -19.503 31.068 15.741 -99.200 -91.000 PHE 250 1.000 -14.003 29.629 11.091 -99.200 -91.000 PHE 254 1.000 -21.059 37.691 7.369 -99.200 -91.000 HIS 261 0.900 -24.785 40.348 6.310 -99.200 -91.000 PHE 283 1.000 -19.192 32.612 8.629 -99.200 -91.000 TYR 296 0.840 -27.360 0.398 10.069 -99.200 -91.000 PHE 298 1.000 -26.904 5.741 7.789 -99.200 -91.000 HIS 299 0.900 -29.799 7.226 4.283 -99.200 -91.000 HIS 328 0.900 -27.840 35.968 1.839 -99.200 -91.000 PHE 331 1.000 -26.760 38.871 10.817 -99.200 -91.000 HIS 338 0.900 -27.454 25.310 14.666 -99.200 -91.000 PHE 341 1.000 -23.703 25.580 20.179 -99.200 -91.000 HIS 343 0.900 -29.786 15.552 15.649 -99.200 -91.000 HIS 346 0.900 -22.269 11.498 23.314 -99.200 -91.000 HIS 352 0.900 -27.700 26.402 27.477 -99.200 -91.000 TRP 365 1.040 -15.414 44.578 17.137 -99.200 -91.000 TRP6 365 1.020 -13.238 43.998 17.850 -99.200 -91.000 PHE 372 1.000 -15.211 45.057 12.491 -99.200 -91.000 HIS 382 0.900 -11.395 30.442 6.997 -99.200 -91.000 TRP 397 1.040 -10.331 50.252 15.054 -99.200 -91.000 TRP6 397 1.020 -9.554 48.081 15.564 -99.200 -91.000