============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 14 1.040 -45.990 -20.163 25.743 -99.200 -91.000 TRP6 14 1.020 -48.023 -19.895 24.616 -99.200 -91.000 PHE 19 1.000 -29.132 -26.470 26.465 -99.200 -91.000 TRP 37 1.040 -37.822 -7.636 29.884 -99.200 -91.000 TRP6 37 1.020 -36.367 -7.372 31.667 -99.200 -91.000 HIS 43 0.900 -36.605 -23.915 40.963 -99.200 -91.000 TYR 47 0.840 -31.917 -25.022 46.610 -99.200 -91.000 TRP 49 1.040 -29.078 -28.943 46.409 -99.200 -91.000 TRP6 49 1.020 -30.856 -29.849 45.237 -99.200 -91.000 PHE 53 1.000 -26.066 -21.919 36.846 -99.200 -91.000 HIS 65 0.900 -41.783 -30.366 18.466 -99.200 -91.000 TYR 70 0.840 -28.436 -24.401 15.756 -99.200 -91.000 TYR 84 0.840 -33.404 -7.170 36.231 -99.200 -91.000 HIS 86 0.900 -39.481 -10.595 45.185 -99.200 -91.000 TYR 89 0.840 -35.207 -17.865 45.620 -99.200 -91.000 TRP 91 1.040 -31.645 -18.678 49.616 -99.200 -91.000 TRP6 91 1.020 -30.115 -19.940 50.887 -99.200 -91.000 TYR 113 0.840 -42.328 -23.112 13.333 -99.200 -91.000 HIS 115 0.900 -47.113 -14.953 19.244 -99.200 -91.000 HIS 129 0.900 -62.568 -19.793 40.555 -99.200 -91.000 PHE 132 1.000 -62.757 -23.681 36.216 -99.200 -91.000 TRP 139 1.040 -37.848 -30.020 24.987 -99.200 -91.000 TRP6 139 1.020 -38.053 -27.686 24.771 -99.200 -91.000 TRP 146 1.040 -28.318 -40.441 42.956 -99.200 -91.000 TRP6 146 1.020 -28.938 -39.307 44.905 -99.200 -91.000 PHE 183 1.000 -50.650 -21.675 40.694 -99.200 -91.000 TYR 187 0.840 -55.439 -35.599 36.672 -99.200 -91.000 PHE 206 1.000 -51.089 -24.728 35.907 -99.200 -91.000 TYR 212 0.840 -64.541 -14.171 30.234 -99.200 -91.000 TRP 216 1.040 -53.017 -20.527 24.773 -99.200 -91.000 TRP6 216 1.020 -53.437 -22.571 25.846 -99.200 -91.000 TYR 217 0.840 -54.760 -13.673 29.893 -99.200 -91.000 TRP 224 1.040 -41.785 -25.786 46.329 -99.200 -91.000 TRP6 224 1.020 -42.851 -27.309 47.758 -99.200 -91.000 TYR 234 0.840 -52.197 -32.998 45.528 -99.200 -91.000 PHE 236 1.000 -46.882 -27.207 46.866 -99.200 -91.000 TYR 237 0.840 -47.394 -25.888 38.780 -99.200 -91.000 HIS 239 0.900 -51.589 -16.309 42.144 -99.200 -91.000 PHE 241 1.000 -53.183 -10.777 39.069 -99.200 -91.000 TRP 246 1.040 -39.515 -8.564 41.725 -99.200 -91.000 TRP6 246 1.020 -38.793 -10.040 40.060 -99.200 -91.000