============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 4 0.840 -2.325 15.441 25.932 -99.200 -91.000 HIS 32 0.900 -8.530 6.043 20.148 -99.200 -91.000 PHE 39 1.000 -6.058 6.073 38.581 -99.200 -91.000 TYR 40 0.840 0.946 11.204 39.388 -99.200 -91.000 TYR 53 0.840 -9.873 17.307 45.823 -99.200 -91.000 HIS 72 0.900 -20.385 13.565 24.379 -99.200 -91.000 TRP 89 1.040 -19.130 28.730 46.595 -99.200 -91.000 TRP6 89 1.020 -20.926 29.011 48.103 -99.200 -91.000 PHE 101 1.000 -10.255 19.620 20.768 -99.200 -91.000 HIS 115 0.900 -7.566 24.939 34.052 -99.200 -91.000 TYR 116 0.840 -8.339 29.835 35.340 -99.200 -91.000 PHE 123 1.000 -4.371 20.595 40.843 -99.200 -91.000 TRP 126 1.040 5.061 17.354 39.010 -99.200 -91.000 TRP6 126 1.020 7.136 16.786 38.045 -99.200 -91.000 PHE 129 1.000 7.998 15.278 32.422 -99.200 -91.000 PHE 137 1.000 1.457 24.029 28.274 -99.200 -91.000 HIS 148 0.900 15.261 21.670 34.814 -99.200 -91.000 PHE 152 1.000 4.616 23.806 39.242 -99.200 -91.000 TRP 158 1.040 -5.542 6.496 45.323 -99.200 -91.000 TRP6 158 1.020 -6.501 8.347 46.459 -99.200 -91.000