============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 27 1.000 -4.254 7.371 9.050 -99.200 -91.000 PHE 29 1.000 -1.509 2.836 12.692 -99.200 -91.000 TYR 32 0.840 -2.655 5.581 4.390 -99.200 -91.000 TYR 33 0.840 5.345 1.190 3.102 -99.200 -91.000 TRP 36 1.040 8.154 7.433 14.595 -99.200 -91.000 TRP6 36 1.020 7.099 8.991 16.023 -99.200 -91.000 TRP 47 1.040 12.434 8.400 6.704 -99.200 -91.000 TRP6 47 1.020 13.667 6.393 6.606 -99.200 -91.000 PHE 50 1.000 9.870 2.426 5.317 -99.200 -91.000 TYR 58 0.840 1.270 -4.649 10.364 -99.200 -91.000 TYR 62 0.840 14.550 0.962 12.622 -99.200 -91.000 PHE 70 1.000 16.713 7.645 17.957 -99.200 -91.000 TYR 82 0.840 3.263 2.706 20.914 -99.200 -91.000 TYR 96 0.840 13.125 12.994 18.053 -99.200 -91.000 TYR 97 0.840 7.955 17.885 12.895 -99.200 -91.000 TYR 106 0.840 -8.539 -0.759 -0.147 -99.200 -91.000 TYR 109 0.840 2.424 4.130 -4.484 -99.200 -91.000 PHE 112 1.000 7.173 10.898 4.590 -99.200 -91.000 TYR 114 0.840 -3.802 13.959 5.726 -99.200 -91.000 TRP 115 1.040 4.327 15.962 7.273 -99.200 -91.000 TRP6 115 1.020 6.647 15.626 7.530 -99.200 -91.000 TYR 134 0.840 8.685 38.036 36.192 -99.200 -91.000 TYR 152 0.840 10.993 29.132 28.491 -99.200 -91.000 PHE 153 1.000 16.902 23.282 29.993 -99.200 -91.000 TRP 161 1.040 -0.807 37.798 23.577 -99.200 -91.000 TRP6 161 1.020 -0.374 39.275 25.369 -99.200 -91.000 TYR 163 0.840 -8.175 32.051 28.550 -99.200 -91.000 PHE 181 1.000 17.358 28.429 34.950 -99.200 -91.000 TYR 182 0.840 16.173 27.554 26.008 -99.200 -91.000 TRP 195 1.040 -5.059 46.854 28.833 -99.200 -91.000 TRP6 195 1.020 -3.377 48.394 29.437 -99.200 -91.000 HIS 206 0.900 8.172 24.590 30.653 -99.200 -91.000