============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TRP 13 1.040 99.422 54.784 94.959 -99.200 -91.000 TRP6 13 1.020 98.526 56.322 93.408 -99.200 -91.000 HIS 14 0.900 101.056 52.595 99.808 -99.200 -91.000 TRP 22 1.040 103.043 65.244 92.648 -99.200 -91.000 TRP6 22 1.020 101.618 63.475 93.270 -99.200 -91.000 PHE 35 1.000 92.156 61.018 88.035 -99.200 -91.000 PHE 41 1.000 79.660 58.162 85.285 -99.200 -91.000 TYR 44 0.840 89.373 64.165 83.588 -99.200 -91.000 HIS 45 0.900 89.343 57.009 78.687 -99.200 -91.000 PHE 57 1.000 97.353 62.545 96.737 -99.200 -91.000 PHE 63 1.000 96.283 60.482 100.962 -99.200 -91.000 TYR 65 0.840 97.193 55.719 100.626 -99.200 -91.000 HIS 68 0.900 96.368 47.193 103.522 -99.200 -91.000 PHE 69 1.000 89.235 46.974 102.571 -99.200 -91.000 TYR 75 0.840 97.285 46.069 95.668 -99.200 -91.000 PHE 79 1.000 91.802 59.294 100.247 -99.200 -91.000 PHE 95 1.000 99.365 48.755 90.581 -99.200 -91.000