============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TYR 4 0.840 17.452 7.942 -8.891 -99.200 -91.000 PHE 7 1.000 18.480 15.329 -15.796 -99.200 -91.000 TRP 15 1.040 13.037 14.114 -10.351 -99.200 -91.000 TRP6 15 1.020 14.235 14.376 -12.373 -99.200 -91.000 TRP 18 1.040 5.561 24.259 -9.648 -99.200 -91.000 TRP6 18 1.020 5.427 26.066 -11.178 -99.200 -91.000 TRP 20 1.040 16.180 21.959 -10.064 -99.200 -91.000 TRP6 20 1.020 16.217 20.085 -11.518 -99.200 -91.000 TYR 35 0.840 21.479 16.525 -19.574 -99.200 -91.000 TYR 59 0.840 8.343 13.177 -15.364 -99.200 -91.000 TYR 60 0.840 7.637 14.225 -22.467 -99.200 -91.000 HIS 96 0.900 -10.274 30.167 -40.513 -99.200 -91.000 HIS 108 0.900 -18.911 33.041 -28.304 -99.200 -91.000 TYR 110 0.840 -17.002 24.360 -30.878 -99.200 -91.000 TYR 123 0.840 7.405 25.889 -25.428 -99.200 -91.000 HIS 126 0.900 2.299 16.529 -30.450 -99.200 -91.000 PHE 132 1.000 -0.682 32.034 -27.628 -99.200 -91.000 TYR 149 0.840 -17.253 37.937 -26.211 -99.200 -91.000 TYR 176 0.840 -7.202 38.981 -10.770 -99.200 -91.000 HIS 186 0.900 -22.937 35.140 -18.217 -99.200 -91.000 TYR 214 0.840 -12.082 29.755 -6.683 -99.200 -91.000 HIS 215 0.900 -14.488 20.914 -7.890 -99.200 -91.000 TRP 218 1.040 -16.217 19.258 -15.378 -99.200 -91.000 TRP6 218 1.020 -16.895 17.195 -16.255 -99.200 -91.000 HIS 222 0.900 -1.050 16.893 -25.979 -99.200 -91.000 PHE 223 1.000 -1.283 11.114 -19.052 -99.200 -91.000 HIS 225 0.900 4.125 5.017 -26.285 -99.200 -91.000 HIS 262 0.900 -2.605 -4.464 -31.985 -99.200 -91.000 TYR 278 0.840 -13.442 15.924 -24.134 -99.200 -91.000 TYR 279 0.840 -13.082 15.897 -28.188 -99.200 -91.000 TYR 281 0.840 -8.386 17.243 -30.364 -99.200 -91.000 HIS 291 0.900 7.355 15.864 -39.073 -99.200 -91.000 PHE 292 1.000 5.317 14.910 -35.224 -99.200 -91.000 HIS 309 0.900 -12.800 -4.989 -30.837 -99.200 -91.000 TYR 313 0.840 -14.862 2.801 -17.986 -99.200 -91.000 PHE 318 1.000 -10.268 10.059 -36.175 -99.200 -91.000 TYR 334 0.840 -19.928 0.616 -34.923 -99.200 -91.000 HIS 340 0.900 -42.785 -0.230 -42.328 -99.200 -91.000 PHE 348 1.000 -17.572 -6.433 -29.868 -99.200 -91.000 TYR 355 0.840 -34.830 -0.629 -31.219 -99.200 -91.000 TYR 361 0.840 -41.780 8.901 -31.339 -99.200 -91.000 HIS 377 0.900 -31.101 30.278 -33.926 -99.200 -91.000