============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 26 0.840 16.242 -14.915 33.289 -99.200 -91.000 PHE 28 1.000 10.966 -12.544 29.598 -99.200 -91.000 TRP 35 1.040 8.548 -3.553 35.051 -99.200 -91.000 TRP6 35 1.020 10.170 -2.600 33.613 -99.200 -91.000 TRP 46 1.040 6.667 -4.308 43.869 -99.200 -91.000 TRP6 46 1.020 4.502 -4.918 44.612 -99.200 -91.000 TRP 49 1.040 4.034 -10.220 40.673 -99.200 -91.000 TRP6 49 1.020 4.113 -10.450 43.035 -99.200 -91.000 TYR 59 0.840 -0.398 -3.419 36.764 -99.200 -91.000 PHE 63 1.000 4.336 3.382 41.524 -99.200 -91.000 PHE 67 1.000 3.595 4.648 36.770 -99.200 -91.000 PHE 69 1.000 4.070 -3.867 35.863 -99.200 -91.000 TYR 79 0.840 8.313 -4.136 25.345 -99.200 -91.000 HIS 81 0.900 3.621 -0.732 27.551 -99.200 -91.000 TYR 92 0.840 9.862 5.235 36.187 -99.200 -91.000 PHE 93 1.000 17.139 1.522 38.942 -99.200 -91.000 PHE 101 1.000 12.075 -5.797 44.556 -99.200 -91.000 TYR 103 0.840 20.432 -12.693 38.924 -99.200 -91.000 TRP 104 1.040 18.143 -4.914 41.561 -99.200 -91.000 TRP6 104 1.020 16.774 -3.070 42.145 -99.200 -91.000 TYR 123 0.840 22.783 34.665 35.564 -99.200 -91.000 TYR 138 0.840 21.257 22.841 32.300 -99.200 -91.000 PHE 139 1.000 13.681 19.840 29.759 -99.200 -91.000 TRP 147 1.040 36.021 26.202 35.052 -99.200 -91.000 TRP6 147 1.020 35.340 28.344 35.775 -99.200 -91.000 HIS 157 0.900 36.409 19.420 42.750 -99.200 -91.000 PHE 159 1.000 30.316 21.463 43.118 -99.200 -91.000 TYR 168 0.840 17.590 18.950 33.977 -99.200 -91.000 TRP 181 1.040 40.224 35.914 38.817 -99.200 -91.000 TRP6 181 1.020 39.077 36.882 40.646 -99.200 -91.000 HIS 192 0.900 21.035 23.156 26.591 -99.200 -91.000