============================================================================= 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 8.997 10.016 30.581 -99.200 -91.000 TRP6 4 1.020 8.147 11.860 31.741 -99.200 -91.000 PHE 101 1.000 5.394 32.195 10.968 -99.200 -91.000 PHE 115 1.000 3.231 25.455 1.175 -99.200 -91.000 PHE 147 1.000 -1.882 25.315 1.686 -99.200 -91.000 PHE 170 1.000 -4.965 32.067 9.883 -99.200 -91.000 PHE 181 1.000 4.017 39.989 0.206 -99.200 -91.000 HIS 189 0.900 -8.301 40.515 13.690 -99.200 -91.000 HIS 199 0.900 4.276 33.973 20.321 -99.200 -91.000 TRP 222 1.040 0.392 44.537 12.549 -99.200 -91.000 TRP6 222 1.020 -1.752 43.536 12.698 -99.200 -91.000 TRP 234 1.040 18.743 36.315 11.970 -99.200 -91.000 TRP6 234 1.020 17.086 37.955 12.398 -99.200 -91.000 PHE 246 1.000 12.545 21.740 31.735 -99.200 -91.000 TRP 262 1.040 14.222 35.039 31.830 -99.200 -91.000 TRP6 262 1.020 12.607 33.373 31.793 -99.200 -91.000 HIS 272 0.900 1.571 39.454 28.652 -99.200 -91.000 HIS 286 0.900 14.866 39.077 35.799 -99.200 -91.000 TYR 299 0.840 -0.193 26.437 43.397 -99.200 -91.000 PHE 302 1.000 -3.772 29.581 38.792 -99.200 -91.000 HIS 336 0.900 -5.886 31.698 21.125 -99.200 -91.000 HIS 340 0.900 -2.945 26.967 20.318 -99.200 -91.000 TRP 378 1.040 -1.390 14.392 30.604 -99.200 -91.000 TRP6 378 1.020 -2.851 15.664 31.933 -99.200 -91.000 TYR 381 0.840 -5.828 14.244 23.850 -99.200 -91.000 HIS 384 0.900 4.865 21.711 21.679 -99.200 -91.000 PHE 415 1.000 9.634 17.332 29.510 -99.200 -91.000 TRP 419 1.040 10.102 16.192 34.350 -99.200 -91.000 TRP6 419 1.020 9.220 18.376 34.436 -99.200 -91.000