============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 3 1.000 7.142 23.430 22.652 -99.200 -91.000 TYR 20 0.840 20.045 21.746 35.877 -99.200 -91.000 TRP 28 1.040 19.085 19.967 28.406 -99.200 -91.000 TRP6 28 1.020 18.359 18.278 29.888 -99.200 -91.000 TRP 34 1.040 17.013 11.388 17.681 -99.200 -91.000 TRP6 34 1.020 16.362 10.139 15.786 -99.200 -91.000 TYR 38 0.840 12.006 18.619 18.253 -99.200 -91.000 TYR 45 0.840 1.493 -0.570 29.843 -99.200 -91.000 TYR 54 0.840 2.789 9.232 32.080 -99.200 -91.000 PHE 57 1.000 12.669 17.340 28.067 -99.200 -91.000 TYR 63 0.840 13.465 3.911 38.678 -99.200 -91.000 TRP 64 1.040 12.834 9.522 36.571 -99.200 -91.000 TRP6 64 1.020 14.464 10.380 38.065 -99.200 -91.000 HIS 78 0.900 8.899 17.680 44.278 -99.200 -91.000 TRP 109 1.040 15.315 10.703 29.277 -99.200 -91.000 TRP6 109 1.020 16.237 12.476 30.548 -99.200 -91.000 TRP 112 1.040 22.059 12.453 25.266 -99.200 -91.000 TRP6 112 1.020 24.156 11.713 26.092 -99.200 -91.000 TYR 124 0.840 19.290 17.194 16.875 -99.200 -91.000