============================================================================= 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 16 1.000 22.806 33.484 39.845 -99.200 -91.000 PHE 23 1.000 18.397 34.114 41.113 -99.200 -91.000 TYR 26 0.840 21.695 37.987 29.442 -99.200 -91.000 TRP 48 1.040 26.068 30.816 31.799 -99.200 -91.000 TRP6 48 1.020 26.289 31.658 33.986 -99.200 -91.000 PHE 52 1.000 32.137 34.312 26.081 -99.200 -91.000 PHE 54 1.000 36.143 39.593 25.274 -99.200 -91.000 TRP 68 1.040 22.674 42.075 32.127 -99.200 -91.000 TRP6 68 1.020 21.362 43.948 32.672 -99.200 -91.000 TRP 74 1.040 11.651 44.252 33.196 -99.200 -91.000 TRP6 74 1.020 9.315 44.458 33.016 -99.200 -91.000 TRP 82 1.040 36.004 47.825 35.947 -99.200 -91.000 TRP6 82 1.020 37.999 48.579 36.954 -99.200 -91.000 TRP 99 1.040 33.925 30.111 43.708 -99.200 -91.000 TRP6 99 1.020 31.782 29.809 42.758 -99.200 -91.000 PHE 111 1.000 26.534 39.759 50.877 -99.200 -91.000 HIS 112 0.900 22.248 36.921 44.086 -99.200 -91.000 HIS 119 0.900 44.214 32.162 30.340 -99.200 -91.000 PHE 120 1.000 45.431 40.911 29.289 -99.200 -91.000