============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 84 rings ring int. center anis. iso. HIS 11 0.900 47.558 15.255 68.968 -99.200 -91.000 TRP 12 1.040 47.154 20.541 60.435 -99.200 -91.000 TRP6 12 1.020 48.386 22.515 60.035 -99.200 -91.000 PHE 54 1.000 36.248 42.845 52.845 -99.200 -91.000 HIS 60 0.900 35.062 29.750 49.489 -99.200 -91.000 PHE 61 1.000 31.895 34.303 57.028 -99.200 -91.000 HIS 72 0.900 17.999 9.864 58.779 -99.200 -91.000 PHE 79 1.000 35.293 8.516 55.371 -99.200 -91.000 TYR 81 0.840 38.710 -3.620 57.268 -99.200 -91.000 PHE 82 1.000 31.226 -6.754 53.528 -99.200 -91.000 HIS 86 0.900 30.702 -16.811 58.008 -99.200 -91.000 TYR 91 0.840 21.695 -17.909 49.972 -99.200 -91.000 PHE 97 1.000 27.527 -9.458 49.363 -99.200 -91.000 HIS 99 0.900 37.289 -15.454 45.285 -99.200 -91.000 PHE 110 1.000 27.764 5.212 62.777 -99.200 -91.000 PHE 129 1.000 25.638 1.325 61.113 -99.200 -91.000 PHE 133 1.000 28.789 -2.185 51.769 -99.200 -91.000 TYR 134 0.840 33.944 4.694 48.665 -99.200 -91.000 TRP 140 1.040 25.085 -2.391 48.130 -99.200 -91.000 TRP6 140 1.020 25.789 -4.079 49.630 -99.200 -91.000 PHE 150 1.000 10.696 5.384 58.497 -99.200 -91.000 PHE 151 1.000 8.722 6.174 63.194 -99.200 -91.000 PHE 158 1.000 10.445 9.906 54.624 -99.200 -91.000 PHE 161 1.000 7.386 9.757 60.549 -99.200 -91.000 HIS 163 0.900 5.960 18.633 55.315 -99.200 -91.000 HIS 172 0.900 11.499 27.211 62.683 -99.200 -91.000 TRP 180 1.040 2.113 11.708 70.496 -99.200 -91.000 TRP6 180 1.020 2.351 9.357 70.410 -99.200 -91.000 PHE 182 1.000 1.780 10.657 59.633 -99.200 -91.000 TRP 183 1.040 3.900 8.488 64.982 -99.200 -91.000 TRP6 183 1.020 5.391 9.093 66.710 -99.200 -91.000 HIS 191 0.900 6.935 -4.196 64.626 -99.200 -91.000 PHE 195 1.000 11.155 -2.647 67.030 -99.200 -91.000 PHE 197 1.000 7.736 7.623 72.139 -99.200 -91.000 HIS 206 0.900 26.313 8.221 66.095 -99.200 -91.000 HIS 208 0.900 28.723 0.735 73.141 -99.200 -91.000 TYR 212 0.840 18.313 -4.021 62.825 -99.200 -91.000 HIS 215 0.900 13.222 -0.060 52.352 -99.200 -91.000 PHE 217 1.000 17.574 -3.519 50.275 -99.200 -91.000 TYR 228 0.840 11.582 -11.157 46.792 -99.200 -91.000 PHE 231 1.000 21.548 -6.568 52.139 -99.200 -91.000 HIS 232 0.900 18.636 -8.713 60.145 -99.200 -91.000 TYR 233 0.840 24.169 -2.441 58.782 -99.200 -91.000 TYR 257 0.840 27.771 10.613 74.668 -99.200 -91.000 PHE 263 1.000 38.651 12.884 65.577 -99.200 -91.000 TYR 271 0.840 41.376 1.278 64.676 -99.200 -91.000 TRP 274 1.040 27.865 -2.058 63.893 -99.200 -91.000 TRP6 274 1.020 29.475 -0.338 64.005 -99.200 -91.000 PHE 276 1.000 26.216 -6.676 55.711 -99.200 -91.000 TYR 277 0.840 24.926 -12.042 61.868 -99.200 -91.000 PHE 283 1.000 11.614 -14.257 43.660 -99.200 -91.000 PHE 289 1.000 6.699 -13.204 56.355 -99.200 -91.000 PHE 291 1.000 2.358 -10.894 59.941 -99.200 -91.000 PHE 294 1.000 7.910 -8.465 48.407 -99.200 -91.000 TRP 300 1.040