============================================================================= 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 9.275 31.516 14.482 -99.200 -91.000 PHE 23 1.000 13.697 30.882 15.793 -99.200 -91.000 TYR 26 0.840 10.444 26.947 4.065 -99.200 -91.000 TRP 48 1.040 6.050 34.199 6.438 -99.200 -91.000 TRP6 48 1.020 5.800 33.359 8.622 -99.200 -91.000 PHE 52 1.000 0.036 30.669 0.704 -99.200 -91.000 PHE 54 1.000 -3.925 25.311 -0.114 -99.200 -91.000 TRP 68 1.040 9.481 22.915 6.699 -99.200 -91.000 TRP6 68 1.020 10.803 21.028 7.248 -99.200 -91.000 TRP 74 1.040 20.502 20.822 7.815 -99.200 -91.000 TRP6 74 1.020 22.839 20.543 7.632 -99.200 -91.000 TRP 82 1.040 -3.775 17.071 10.579 -99.200 -91.000 TRP6 82 1.020 -5.754 16.310 11.568 -99.200 -91.000 TRP 99 1.040 -1.782 34.925 18.346 -99.200 -91.000 TRP6 99 1.020 0.339 35.182 17.370 -99.200 -91.000 PHE 111 1.000 5.443 25.251 25.552 -99.200 -91.000 HIS 112 0.900 9.833 28.075 18.732 -99.200 -91.000 HIS 119 0.900 -12.041 32.814 4.961 -99.200 -91.000 PHE 120 1.000 -13.188 24.119 3.947 -99.200 -91.000