============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. HIS 36 0.900 22.340 -12.233 40.730 -99.200 -91.000 TRP 44 1.040 6.090 -8.188 24.020 -99.200 -91.000 TRP6 44 1.020 4.063 -9.365 24.304 -99.200 -91.000 HIS 78 0.900 33.963 6.453 48.147 -99.200 -91.000 TRP 79 1.040 27.137 8.513 44.606 -99.200 -91.000 TRP6 79 1.020 25.337 10.013 44.794 -99.200 -91.000 TRP 88 1.040 25.147 19.674 44.085 -99.200 -91.000 TRP6 88 1.020 23.999 18.522 42.393 -99.200 -91.000 TRP 89 1.040 30.071 15.197 46.982 -99.200 -91.000 TRP6 89 1.020 32.405 14.843 46.962 -99.200 -91.000 PHE 99 1.000 16.864 -0.526 53.373 -99.200 -91.000 HIS 102 0.900 7.858 -3.630 54.911 -99.200 -91.000 PHE 115 1.000 11.447 -12.109 44.732 -99.200 -91.000 TYR 118 0.840 4.508 -11.472 43.006 -99.200 -91.000 HIS 126 0.900 24.125 -2.917 54.257 -99.200 -91.000 PHE 131 1.000 21.914 -10.269 48.994 -99.200 -91.000 TRP 134 1.040 7.427 -16.119 47.581 -99.200 -91.000 TRP6 134 1.020 7.419 -18.213 46.432 -99.200 -91.000 HIS 137 0.900 15.507 -23.350 53.630 -99.200 -91.000 TYR 160 0.840 29.998 -21.758 51.024 -99.200 -91.000 TYR 165 0.840 21.365 -25.887 42.306 -99.200 -91.000 TYR 173 0.840 30.139 -16.388 35.317 -99.200 -91.000 TRP 206 1.040 26.180 9.784 56.402 -99.200 -91.000 TRP6 206 1.020 25.269 9.163 54.302 -99.200 -91.000 PHE 209 1.000 27.705 1.018 56.173 -99.200 -91.000 TYR 213 0.840 31.679 -6.221 48.892 -99.200 -91.000 PHE 218 1.000 32.501 -9.935 41.585 -99.200 -91.000 PHE 225 1.000 32.319 -22.198 38.276 -99.200 -91.000 PHE 250 1.000 37.654 -21.174 39.375 -99.200 -91.000 TRP 254 1.040 40.852 -16.299 39.342 -99.200 -91.000 TRP6 254 1.020 40.909 -13.950 39.541 -99.200 -91.000 PHE 255 1.000 39.047 -12.462 44.088 -99.200 -91.000