============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 8 1.040 -22.844 10.439 40.584 -99.200 -91.000 TRP6 8 1.020 -21.505 12.318 40.121 -99.200 -91.000 PHE 12 1.000 -23.956 12.634 48.527 -99.200 -91.000 PHE 21 1.000 -17.406 13.883 44.284 -99.200 -91.000 TYR 43 0.840 -23.269 24.120 52.822 -99.200 -91.000 PHE 49 1.000 -9.202 31.226 54.998 -99.200 -91.000 HIS 67 0.900 12.956 23.367 53.033 -99.200 -91.000 PHE 70 1.000 4.656 27.364 60.501 -99.200 -91.000 TRP 72 1.040 3.424 23.158 72.103 -99.200 -91.000 TRP6 72 1.020 3.916 21.558 73.760 -99.200 -91.000 TRP 82 1.040 -3.474 20.102 66.015 -99.200 -91.000 TRP6 82 1.020 -5.448 21.223 66.632 -99.200 -91.000 PHE 100 1.000 -2.199 26.952 58.485 -99.200 -91.000 TYR 115 0.840 -2.506 38.524 49.269 -99.200 -91.000 PHE 119 1.000 -5.644 33.990 46.981 -99.200 -91.000 TYR 121 0.840 -11.713 30.616 50.123 -99.200 -91.000 PHE 133 1.000 -10.995 34.717 58.270 -99.200 -91.000 TRP 134 1.040 -10.079 29.123 59.596 -99.200 -91.000 TRP6 134 1.020 -8.739 30.871 60.434 -99.200 -91.000 PHE 149 1.000 -8.272 28.806 46.482 -99.200 -91.000 TYR 154 0.840 -3.498 20.775 37.674 -99.200 -91.000 TYR 180 0.840 -5.282 7.816 41.587 -99.200 -91.000 HIS 183 0.900 -1.116 18.023 44.559 -99.200 -91.000 PHE 188 1.000 -15.940 17.392 62.466 -99.200 -91.000 TRP 201 1.040 -16.150 22.302 53.496 -99.200 -91.000 TRP6 201 1.020 -16.885 22.958 51.348 -99.200 -91.000 TRP 202 1.040 -10.823 14.567 50.879 -99.200 -91.000 TRP6 202 1.020 -10.882 12.625 49.552 -99.200 -91.000 TRP 205 1.040 -4.800 18.807 41.931 -99.200 -91.000 TRP6 205 1.020 -4.637 20.792 43.159 -99.200 -91.000 TYR 213 0.840 -10.805 12.457 36.116 -99.200 -91.000 PHE 214 1.000 -8.882 20.780 38.423 -99.200 -91.000 PHE 215 1.000 -11.397 15.417 45.549 -99.200 -91.000 PHE 217 1.000 -18.916 14.475 50.601 -99.200 -91.000