============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 10 0.840 7.610 -7.598 54.584 -99.200 -91.000 TRP 12 1.040 12.923 -13.596 53.675 -99.200 -91.000 TRP6 12 1.020 14.558 -14.931 52.628 -99.200 -91.000 TYR 34 0.840 12.035 -11.149 50.463 -99.200 -91.000 TRP 44 1.040 8.662 -4.986 47.195 -99.200 -91.000 TRP6 44 1.020 8.215 -6.247 49.165 -99.200 -91.000 PHE 53 1.000 30.292 -19.447 49.466 -99.200 -91.000 TRP 58 1.040 18.799 -13.654 58.669 -99.200 -91.000 TRP6 58 1.020 17.681 -15.260 59.972 -99.200 -91.000 TRP 68 1.040 20.401 2.917 53.975 -99.200 -91.000 TRP6 68 1.020 18.349 2.790 52.802 -99.200 -91.000 TRP 72 1.040 15.002 5.979 51.673 -99.200 -91.000 TRP6 72 1.020 12.716 5.452 51.725 -99.200 -91.000 PHE 87 1.000 21.773 -7.426 44.797 -99.200 -91.000 TYR 106 0.840 12.370 -12.407 34.815 -99.200 -91.000 TYR 139 0.840 32.417 -38.189 40.266 -99.200 -91.000 HIS 159 0.900 29.823 -22.717 22.750 -99.200 -91.000 TRP 168 1.040 41.290 -30.089 39.456 -99.200 -91.000 TRP6 168 1.020 40.443 -29.391 37.341 -99.200 -91.000 PHE 176 1.000 39.287 -30.638 32.899 -99.200 -91.000 TYR 179 0.840 42.819 -38.740 30.337 -99.200 -91.000 TYR 184 0.840 35.998 -32.478 20.558 -99.200 -91.000 PHE 190 1.000 32.481 -19.035 32.588 -99.200 -91.000 PHE 204 1.000 43.568 -25.417 33.498 -99.200 -91.000 TRP 214 1.040 40.530 -14.080 37.647 -99.200 -91.000 TRP6 214 1.020 42.003 -15.809 38.307 -99.200 -91.000 PHE 223 1.000 39.531 -9.472 40.789 -99.200 -91.000 PHE 225 1.000 36.732 -6.450 38.093 -99.200 -91.000 HIS 255 0.900 30.422 -6.147 29.485 -99.200 -91.000 TRP 282 1.040 20.469 -1.914 32.474 -99.200 -91.000 TRP6 282 1.020 20.888 -1.126 34.646 -99.200 -91.000 TRP 305 1.040 12.913 -18.276 37.183 -99.200 -91.000 TRP6 305 1.020 14.832 -16.915 37.151 -99.200 -91.000