============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TRP 4 1.040 9.357 9.696 31.395 -99.200 -91.000 TRP6 4 1.020 8.546 11.635 32.472 -99.200 -91.000 PHE 101 1.000 6.362 31.814 11.279 -99.200 -91.000 PHE 115 1.000 4.720 24.919 1.277 -99.200 -91.000 PHE 147 1.000 -0.111 25.016 1.282 -99.200 -91.000 PHE 170 1.000 -3.835 31.455 9.440 -99.200 -91.000 PHE 181 1.000 5.416 39.183 0.474 -99.200 -91.000 HIS 189 0.900 -7.479 40.527 13.792 -99.200 -91.000 HIS 199 0.900 3.367 33.086 19.972 -99.200 -91.000 TRP 222 1.040 0.991 44.029 12.825 -99.200 -91.000 TRP6 222 1.020 -1.145 43.032 12.904 -99.200 -91.000 TRP 234 1.040 19.478 35.978 12.761 -99.200 -91.000 TRP6 234 1.020 17.807 37.615 13.070 -99.200 -91.000 PHE 246 1.000 12.822 21.583 32.654 -99.200 -91.000 TRP 262 1.040 14.247 35.008 32.733 -99.200 -91.000 TRP6 262 1.020 12.636 33.295 32.568 -99.200 -91.000 HIS 272 0.900 1.836 39.086 28.889 -99.200 -91.000 HIS 286 0.900 15.184 39.150 37.695 -99.200 -91.000 TYR 299 0.840 -0.322 26.291 44.010 -99.200 -91.000 PHE 302 1.000 -3.861 29.433 39.247 -99.200 -91.000 HIS 336 0.900 -6.758 32.485 22.121 -99.200 -91.000 HIS 340 0.900 -4.870 27.321 18.006 -99.200 -91.000 TRP 378 1.040 -1.076 14.277 30.886 -99.200 -91.000 TRP6 378 1.020 -2.639 15.408 32.266 -99.200 -91.000 TYR 381 0.840 -5.056 14.149 23.964 -99.200 -91.000 HIS 384 0.900 5.179 21.390 22.215 -99.200 -91.000 PHE 415 1.000 10.060 17.207 30.290 -99.200 -91.000 TRP 419 1.040 10.214 16.091 35.149 -99.200 -91.000 TRP6 419 1.020 9.325 18.282 35.151 -99.200 -91.000