============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 27 1.000 31.588 17.952 -18.948 -99.200 -91.000 PHE 29 1.000 35.518 12.196 -20.877 -99.200 -91.000 TYR 32 0.840 27.344 15.107 -18.672 -99.200 -91.000 TRP 33 1.040 25.138 8.923 -24.991 -99.200 -91.000 TRP6 33 1.020 26.124 7.050 -26.070 -99.200 -91.000 HIS 35 0.900 26.020 13.682 -29.340 -99.200 -91.000 TRP 36 1.040 34.249 13.848 -31.706 -99.200 -91.000 TRP6 36 1.020 35.868 15.569 -31.844 -99.200 -91.000 TRP 47 1.040 25.447 12.706 -34.378 -99.200 -91.000 TRP6 47 1.020 25.230 10.355 -34.364 -99.200 -91.000 TYR 60 0.840 32.024 5.245 -35.111 -99.200 -91.000 PHE 64 1.000 30.928 11.687 -41.762 -99.200 -91.000 TYR 80 0.840 42.463 12.404 -27.548 -99.200 -91.000 TYR 93 0.840 35.919 17.518 -39.395 -99.200 -91.000 TYR 94 0.840 31.305 23.740 -34.290 -99.200 -91.000 TYR 102 0.840 29.643 24.381 -22.960 -99.200 -91.000 TRP 103 1.040 26.897 21.591 -29.674 -99.200 -91.000 TRP6 103 1.020 26.897 21.351 -32.032 -99.200 -91.000 TYR 122 0.840 50.148 42.687 -56.561 -99.200 -91.000 TYR 145 0.840 46.284 34.890 -47.752 -99.200 -91.000 PHE 146 1.000 48.084 26.420 -47.489 -99.200 -91.000 TRP 154 1.040 42.441 49.749 -45.120 -99.200 -91.000 TRP6 154 1.020 43.485 50.304 -47.158 -99.200 -91.000 HIS 164 0.900 32.388 47.782 -46.601 -99.200 -91.000 PHE 166 1.000 34.856 43.206 -49.944 -99.200 -91.000 TYR 175 0.840 43.241 29.964 -48.264 -99.200 -91.000 TRP 188 1.040 44.634 58.954 -50.994 -99.200 -91.000 TRP6 188 1.020 44.208 58.772 -53.303 -99.200 -91.000 HIS 199 0.900 50.952 34.148 -44.681 -99.200 -91.000