============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 2 0.900 73.251 -18.664 39.076 -99.200 -91.000 TRP 17 1.040 98.024 18.118 20.463 -99.200 -91.000 TRP6 17 1.020 95.719 17.632 20.708 -99.200 -91.000 TYR 26 0.840 106.016 4.346 30.880 -99.200 -91.000 HIS 27 0.900 108.049 9.925 25.453 -99.200 -91.000 TYR 33 0.840 92.344 8.398 27.345 -99.200 -91.000 PHE 38 1.000 85.583 -2.809 17.362 -99.200 -91.000 TYR 39 0.840 80.207 -2.373 23.512 -99.200 -91.000 TYR 43 0.840 81.336 -15.730 26.818 -99.200 -91.000 TYR 65 0.840 98.055 -14.881 35.204 -99.200 -91.000 PHE 71 1.000 91.177 -7.515 43.714 -99.200 -91.000 TYR 81 0.840 85.181 -14.705 40.566 -99.200 -91.000 PHE 84 1.000 87.390 -17.856 25.432 -99.200 -91.000 PHE 135 1.000 87.901 6.832 28.390 -99.200 -91.000 PHE 136 1.000 89.187 1.680 27.753 -99.200 -91.000 TYR 177 0.840 104.076 7.170 23.612 -99.200 -91.000 HIS 184 0.900 108.219 13.742 16.253 -99.200 -91.000 PHE 185 1.000 108.914 15.823 23.347 -99.200 -91.000 TYR 190 0.840 99.272 23.499 19.267 -99.200 -91.000 TYR 218 0.840 104.189 -0.176 12.750 -99.200 -91.000 TYR 225 0.840 96.343 10.721 6.907 -99.200 -91.000 PHE 227 1.000 90.317 3.589 -0.717 -99.200 -91.000 TYR 230 0.840 90.239 7.541 -4.617 -99.200 -91.000 PHE 233 1.000 84.002 10.549 3.888 -99.200 -91.000 PHE 236 1.000 90.248 13.824 11.953 -99.200 -91.000 TYR 245 0.840 89.452 8.997 14.731 -99.200 -91.000 PHE 246 1.000 85.472 7.582 6.912 -99.200 -91.000 PHE 247 1.000 84.796 12.761 13.766 -99.200 -91.000 TRP 263 1.040 93.209 -1.983 4.562 -99.200 -91.000 TRP6 263 1.020 92.854 -0.232 3.012 -99.200 -91.000