============================================================================= 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. HIS 2 0.900 -8.381 -40.961 28.318 -99.200 -91.000 HIS 4 0.900 -8.183 -40.005 21.305 -99.200 -91.000 HIS 20 0.900 12.593 -23.834 14.839 -99.200 -91.000 PHE 57 1.000 7.662 -4.461 -14.718 -99.200 -91.000 TYR 58 0.840 4.699 -3.368 -6.461 -99.200 -91.000 PHE 79 1.000 -5.339 -12.390 -3.735 -99.200 -91.000 HIS 80 0.900 -5.666 -19.121 -6.023 -99.200 -91.000 TYR 84 0.840 -1.771 -21.505 -8.462 -99.200 -91.000 PHE 93 1.000 5.930 -13.725 -10.133 -99.200 -91.000 TYR 137 0.840 -3.667 -22.096 -1.924 -99.200 -91.000 PHE 144 1.000 5.101 -18.284 4.913 -99.200 -91.000 TRP 147 1.040 -7.826 -16.616 9.583 -99.200 -91.000 TRP6 147 1.020 -9.327 -18.076 8.482 -99.200 -91.000 HIS 156 0.900 -19.365 0.551 25.187 -99.200 -91.000 TYR 173 0.840 -4.719 -19.853 9.669 -99.200 -91.000 HIS 196 0.900 -5.577 2.700 21.581 -99.200 -91.000 TYR 203 0.840 -6.434 -4.862 30.839 -99.200 -91.000 TYR 213 0.840 0.029 -18.154 21.772 -99.200 -91.000 HIS 219 0.900 -10.105 -25.183 18.231 -99.200 -91.000 HIS 220 0.900 -6.657 -31.358 21.229 -99.200 -91.000 TYR 222 0.840 4.869 -29.245 16.811 -99.200 -91.000 HIS 237 0.900 -2.555 7.971 13.167 -99.200 -91.000 TYR 243 0.840 3.231 6.477 25.518 -99.200 -91.000 HIS 245 0.900 11.594 5.127 18.090 -99.200 -91.000 PHE 269 1.000 6.872 -7.776 17.173 -99.200 -91.000 TRP 295 1.040 8.498 -16.286 22.393 -99.200 -91.000 TRP6 295 1.020 8.624 -14.152 23.410 -99.200 -91.000 PHE 299 1.000 11.922 -8.240 8.088 -99.200 -91.000 TYR 301 0.840 7.994 -4.535 9.349 -99.200 -91.000 TRP 313 1.040 7.395 0.358 -11.378 -99.200 -91.000 TRP6 313 1.020 5.275 -0.609 -10.973 -99.200 -91.000 TYR 327 0.840 12.255 -5.974 -1.421 -99.200 -91.000 TYR 342 0.840 17.898 0.671 10.748 -99.200 -91.000 PHE 357 1.000 -4.203 5.187 11.202 -99.200 -91.000 HIS 361 0.900 -11.198 4.420 5.208 -99.200 -91.000