============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 8 0.840 5.939 36.625 16.750 -99.200 -91.000 HIS 10 0.900 9.116 44.175 23.866 -99.200 -91.000 PHE 11 1.000 6.398 43.336 17.012 -99.200 -91.000 TRP 18 1.040 31.846 44.394 7.136 -99.200 -91.000 TRP6 18 1.020 31.225 45.286 5.038 -99.200 -91.000 HIS 19 0.900 32.839 38.894 10.388 -99.200 -91.000 TYR 24 0.840 28.171 30.769 0.242 -99.200 -91.000 HIS 26 0.900 21.418 36.903 1.015 -99.200 -91.000 TYR 32 0.840 18.406 35.092 10.707 -99.200 -91.000 TYR 33 0.840 19.623 29.618 16.621 -99.200 -91.000 PHE 35 1.000 19.997 39.569 14.514 -99.200 -91.000 PHE 36 1.000 15.539 33.367 17.492 -99.200 -91.000 TYR 43 0.840 9.526 41.857 28.223 -99.200 -91.000 TYR 68 0.840 17.881 30.143 10.106 -99.200 -91.000 PHE 69 1.000 9.795 31.040 8.129 -99.200 -91.000 PHE 74 1.000 26.280 46.598 7.361 -99.200 -91.000 TYR 94 0.840 12.024 33.496 26.811 -99.200 -91.000 PHE 99 1.000 7.792 39.868 12.267 -99.200 -91.000 PHE 112 1.000 15.974 32.077 24.282 -99.200 -91.000 HIS 114 0.900 16.382 32.511 29.364 -99.200 -91.000 PHE 116 1.000 14.561 32.740 34.111 -99.200 -91.000