============================================================================= 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. TYR 8 0.840 3.543 100.033 56.191 -99.200 -91.000 PHE 11 1.000 11.420 90.087 56.066 -99.200 -91.000 PHE 12 1.000 15.363 93.946 51.824 -99.200 -91.000 PHE 29 1.000 20.821 99.140 55.604 -99.200 -91.000 PHE 38 1.000 16.081 95.918 43.791 -99.200 -91.000 TRP 39 1.040 24.423 95.725 42.178 -99.200 -91.000 TRP6 39 1.020 26.562 94.882 41.631 -99.200 -91.000 TRP 42 1.040 24.266 89.229 34.991 -99.200 -91.000 TRP6 42 1.020 22.471 90.317 33.918 -99.200 -91.000 TYR 59 0.840 29.485 104.628 50.930 -99.200 -91.000 TYR 62 0.840 23.363 112.958 51.429 -99.200 -91.000 TYR 67 0.840 17.971 112.569 60.620 -99.200 -91.000 TRP 81 1.040 27.548 90.602 44.674 -99.200 -91.000 TRP6 81 1.020 27.798 89.741 46.853 -99.200 -91.000 TRP 92 1.040 25.800 100.976 48.012 -99.200 -91.000 TRP6 92 1.020 27.186 102.117 46.444 -99.200 -91.000 PHE 98 1.000 25.809 84.678 45.706 -99.200 -91.000 TYR 109 0.840 11.437 95.434 47.018 -99.200 -91.000 TYR 112 0.840 10.696 99.026 34.713 -99.200 -91.000