============================================================================= 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 27 0.840 -34.387 50.678 -6.417 -99.200 -91.000 PHE 29 1.000 -36.388 44.763 -6.196 -99.200 -91.000 TYR 32 0.840 -30.978 51.784 -10.537 -99.200 -91.000 TRP 36 1.040 -27.589 40.834 -0.419 -99.200 -91.000 TRP6 36 1.020 -28.769 41.220 1.583 -99.200 -91.000 TRP 47 1.040 -20.037 42.796 -4.494 -99.200 -91.000 TRP6 47 1.020 -19.990 40.945 -5.950 -99.200 -91.000 TRP 50 1.040 -26.083 42.047 -9.375 -99.200 -91.000 TRP6 50 1.020 -25.484 41.277 -11.503 -99.200 -91.000 TYR 54 0.840 -33.704 43.988 -15.948 -99.200 -91.000 TYR 60 0.840 -25.114 32.487 -4.289 -99.200 -91.000 PHE 64 1.000 -18.998 35.396 1.694 -99.200 -91.000 PHE 68 1.000 -22.663 33.469 3.701 -99.200 -91.000 PHE 70 1.000 -26.402 37.090 -2.486 -99.200 -91.000 TYR 80 0.840 -36.784 38.157 1.547 -99.200 -91.000 TYR 93 0.840 -23.835 39.689 7.102 -99.200 -91.000 PHE 94 1.000 -22.934 48.170 5.618 -99.200 -91.000 TYR 100 0.840 -28.464 46.338 -14.282 -99.200 -91.000 TRP 103 1.040 -20.654 48.488 -14.905 -99.200 -91.000 TRP6 103 1.020 -18.794 47.761 -16.166 -99.200 -91.000 TYR 104 0.840 -22.643 55.103 -9.708 -99.200 -91.000 PHE 105 1.000 -21.403 47.715 -5.128 -99.200 -91.000 TRP 108 1.040 -23.460 52.392 -0.236 -99.200 -91.000 TRP6 108 1.020 -22.024 50.588 0.199 -99.200 -91.000 TYR 127 0.840 -15.607 42.432 40.275 -99.200 -91.000 TYR 150 0.840 -21.058 43.758 29.176 -99.200 -91.000 PHE 151 1.000 -24.191 36.809 24.812 -99.200 -91.000 TRP 159 1.040 -18.382 57.403 35.696 -99.200 -91.000 TRP6 159 1.020 -17.233 56.107 37.260 -99.200 -91.000 HIS 169 0.900 -11.397 59.721 28.392 -99.200 -91.000 PHE 171 1.000 -11.080 53.451 28.546 -99.200 -91.000 TYR 180 0.840 -19.857 41.044 24.197 -99.200 -91.000 HIS 204 0.900 -26.639 42.882 30.696 -99.200 -91.000