============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 2 1.000 61.217 35.433 15.609 -99.200 -91.000 TRP 9 1.040 56.630 38.157 24.209 -99.200 -91.000 TRP6 9 1.020 56.034 39.984 25.580 -99.200 -91.000 PHE 25 1.000 57.126 42.854 30.466 -99.200 -91.000 PHE 39 1.000 65.644 46.646 13.188 -99.200 -91.000 PHE 43 1.000 68.677 50.077 13.842 -99.200 -91.000 TYR 58 0.840 64.800 39.376 35.695 -99.200 -91.000 HIS 65 0.900 61.537 40.079 47.902 -99.200 -91.000 TRP 89 1.040 63.508 55.596 29.259 -99.200 -91.000 TRP6 89 1.020 63.601 56.879 27.257 -99.200 -91.000 PHE 94 1.000 59.773 44.746 24.997 -99.200 -91.000 PHE 96 1.000 61.975 50.977 16.996 -99.200 -91.000 PHE 100 1.000 60.950 46.857 11.684 -99.200 -91.000 TYR 119 0.840 63.782 57.181 16.424 -99.200 -91.000 HIS 127 0.900 65.570 57.938 21.545 -99.200 -91.000 PHE 135 1.000 65.986 54.468 15.374 -99.200 -91.000 TRP 136 1.040 66.887 60.042 12.373 -99.200 -91.000 TRP6 136 1.020 64.939 58.818 11.763 -99.200 -91.000 PHE 148 1.000 63.594 42.268 10.903 -99.200 -91.000 TYR 149 0.840 59.683 39.232 6.720 -99.200 -91.000 HIS 153 0.900 62.366 29.065 10.036 -99.200 -91.000 PHE 166 1.000 56.986 39.670 19.430 -99.200 -91.000 HIS 171 0.900 46.558 44.303 21.088 -99.200 -91.000 PHE 180 1.000 50.522 50.510 36.197 -99.200 -91.000 PHE 181 1.000 54.832 52.748 32.792 -99.200 -91.000 PHE 182 1.000 49.061 57.102 27.624 -99.200 -91.000 TRP 191 1.040 49.849 59.764 23.492 -99.200 -91.000 TRP6 191 1.020 51.235 61.491 24.339 -99.200 -91.000 TYR 196 0.840 50.580 45.911 18.335 -99.200 -91.000 TRP 204 1.040 47.992 43.437 14.502 -99.200 -91.000 TRP6 204 1.020 49.418 42.407 12.940 -99.200 -91.000