============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 7 0.900 31.267 -17.129 13.196 -99.200 -91.000 TYR 28 0.840 13.615 -19.771 11.219 -99.200 -91.000 TYR 33 0.840 16.769 -22.139 16.467 -99.200 -91.000 TYR 34 0.840 18.674 -19.582 24.212 -99.200 -91.000 PHE 35 1.000 23.389 -18.448 17.395 -99.200 -91.000 TRP 37 1.040 30.327 -14.346 19.736 -99.200 -91.000 TRP6 37 1.020 27.977 -14.276 19.469 -99.200 -91.000 TYR 39 0.840 37.047 -14.381 29.207 -99.200 -91.000 PHE 54 1.000 24.800 -10.463 29.355 -99.200 -91.000 PHE 63 1.000 11.051 -7.245 31.197 -99.200 -91.000 TYR 86 0.840 -4.312 6.723 38.865 -99.200 -91.000 TRP 87 1.040 2.652 11.788 44.414 -99.200 -91.000 TRP6 87 1.020 4.600 12.322 43.184 -99.200 -91.000 TRP 95 1.040 2.773 18.126 37.976 -99.200 -91.000 TRP6 95 1.020 3.653 16.281 36.789 -99.200 -91.000 HIS 102 0.900 -0.913 13.877 28.045 -99.200 -91.000 TYR 106 0.840 9.180 7.673 26.468 -99.200 -91.000 PHE 128 1.000 12.405 16.411 38.651 -99.200 -91.000 TYR 129 0.840 8.356 13.613 38.884 -99.200 -91.000 TRP 132 1.040 8.965 19.368 34.370 -99.200 -91.000 TRP6 132 1.020 6.784 18.881 33.595 -99.200 -91.000 TRP 136 1.040 8.012 22.115 23.776 -99.200 -91.000 TRP6 136 1.020 9.606 20.472 24.366 -99.200 -91.000 TYR 144 0.840 14.052 7.027 25.884 -99.200 -91.000 PHE 152 1.000 2.313 3.978 32.834 -99.200 -91.000 PHE 164 1.000 8.126 -0.809 38.568 -99.200 -91.000 PHE 173 1.000 10.615 -9.266 36.412 -99.200 -91.000 HIS 180 0.900 17.316 -18.610 36.815 -99.200 -91.000 TRP 182 1.040 16.259 -12.153 40.621 -99.200 -91.000 TRP6 182 1.020 14.840 -12.200 42.511 -99.200 -91.000 TYR 193 0.840 24.516 -7.413 38.380 -99.200 -91.000 TRP 195 1.040 31.996 -7.643 37.956 -99.200 -91.000 TRP6 195 1.020 31.462 -5.893 39.456 -99.200 -91.000 TYR 197 0.840 34.317 -5.620 32.145 -99.200 -91.000 HIS 204 0.900 27.624 -5.259 38.974 -99.200 -91.000 TYR 215 0.840 18.134 3.872 35.460 -99.200 -91.000 TRP 227 1.040 10.309 -8.805 27.509 -99.200 -91.000 TRP6 227 1.020 8.257 -8.610 28.665 -99.200 -91.000 TYR 253 0.840 -1.232 3.649 23.580 -99.200 -91.000 TRP 254 1.040 1.323 9.766 22.011 -99.200 -91.000 TRP6 254 1.020 0.038 11.751 22.004 -99.200 -91.000 TYR 260 0.840 2.805 4.195 13.304 -99.200 -91.000 TRP 265 1.040 7.220 -3.911 23.745 -99.200 -91.000 TRP6 265 1.020 9.360 -4.854 23.398 -99.200 -91.000 TRP 270 1.040 8.157 -7.085 7.798 -99.200 -91.000 TRP6 270 1.020 10.499 -6.942 8.068 -99.200 -91.000 TRP 306 1.040 12.286 -3.253 13.780 -99.200 -91.000 TRP6 306 1.020 13.693 -4.917 12.860 -99.200 -91.000 HIS 308 0.900 13.225 -0.353 17.195 -99.200 -91.000 PHE 316 1.000 26.025 -5.058 32.096 -99.200 -91.000 TYR 319 0.840 17.527 -3.359 18.495 -99.200 -91.000 PHE 322 1.000 8.221 -8.072 19.666 -99.200 -91.000 TYR 338 0.840 26.999 -2.764 20.934 -99.200 -91.000 TRP 348 1.040 18.178 -4.468 7.723 -99.200 -91.000 TRP6 348 1.020 15.889 -4.641 7.170 -99.200 -91.000