============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 1 0.840 -5.187 38.483 65.851 -99.200 -91.000 PHE 2 1.000 -6.291 40.971 56.385 -99.200 -91.000 PHE 3 1.000 -9.091 33.665 59.054 -99.200 -91.000 TYR 15 0.840 -1.929 52.591 36.523 -99.200 -91.000 TRP 21 1.040 -8.107 38.252 49.003 -99.200 -91.000 TRP6 21 1.020 -6.436 39.394 50.218 -99.200 -91.000 PHE 50 1.000 -1.035 47.708 37.678 -99.200 -91.000 HIS 54 0.900 6.566 40.201 42.795 -99.200 -91.000 TRP 58 1.040 11.112 37.136 55.539 -99.200 -91.000 TRP6 58 1.020 12.823 36.033 54.349 -99.200 -91.000 TRP 64 1.040 3.546 46.305 40.981 -99.200 -91.000 TRP6 64 1.020 2.001 46.893 42.691 -99.200 -91.000 PHE 65 1.000 10.056 48.590 40.869 -99.200 -91.000 PHE 69 1.000 -0.021 49.605 47.048 -99.200 -91.000 TYR 75 0.840 -10.296 40.856 52.903 -99.200 -91.000 TRP 77 1.040 -6.686 50.323 50.374 -99.200 -91.000 TRP6 77 1.020 -4.553 50.043 49.398 -99.200 -91.000 HIS 87 0.900 -9.097 44.925 57.899 -99.200 -91.000 PHE 89 1.000 -15.874 46.259 64.418 -99.200 -91.000 TRP 92 1.040 -17.836 52.305 66.042 -99.200 -91.000 TRP6 92 1.020 -17.790 50.360 67.378 -99.200 -91.000 HIS 93 0.900 -6.858 55.013 67.337 -99.200 -91.000 TYR 114 0.840 -13.976 35.032 64.946 -99.200 -91.000 TYR 115 0.840 -18.550 41.258 62.955 -99.200 -91.000 HIS 119 0.900 -11.562 33.853 61.727 -99.200 -91.000 TRP 127 1.040 -20.402 51.219 58.938 -99.200 -91.000 TRP6 127 1.020 -18.584 51.595 60.398 -99.200 -91.000 TRP 133 1.040 -22.178 52.719 71.524 -99.200 -91.000 TRP6 133 1.020 -20.106 53.846 71.640 -99.200 -91.000