============================================================================= 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 -23.659 -48.817 22.960 -99.200 -91.000 PHE 29 1.000 -19.336 -53.650 22.751 -99.200 -91.000 TYR 32 0.840 -26.020 -49.950 18.181 -99.200 -91.000 TYR 33 0.840 -21.433 -53.665 11.217 -99.200 -91.000 TRP 36 1.040 -10.957 -48.501 17.867 -99.200 -91.000 TRP6 36 1.020 -10.538 -47.197 19.790 -99.200 -91.000 TRP 47 1.040 -13.555 -46.406 9.442 -99.200 -91.000 TRP6 47 1.020 -12.923 -48.201 8.048 -99.200 -91.000 PHE 50 1.000 -16.545 -52.196 9.492 -99.200 -91.000 TYR 58 0.840 -19.327 -60.361 18.057 -99.200 -91.000 TYR 62 0.840 -8.118 -54.333 10.949 -99.200 -91.000 PHE 70 1.000 -2.404 -48.455 14.158 -99.200 -91.000 TYR 82 0.840 -10.100 -54.400 25.069 -99.200 -91.000 TYR 96 0.840 -4.983 -43.018 17.264 -99.200 -91.000 TYR 97 0.840 -12.183 -37.759 18.725 -99.200 -91.000 TYR 106 0.840 -33.367 -56.385 18.617 -99.200 -91.000 TYR 109 0.840 -28.717 -50.373 8.500 -99.200 -91.000 PHE 112 1.000 -18.861 -44.069 11.983 -99.200 -91.000 TYR 114 0.840 -25.386 -41.761 21.143 -99.200 -91.000 TRP 115 1.040 -18.630 -39.553 16.768 -99.200 -91.000 TRP6 115 1.020 -16.837 -39.622 15.232 -99.200 -91.000 TYR 134 0.840 7.796 -19.766 35.407 -99.200 -91.000 TYR 151 0.840 2.344 -28.253 28.154 -99.200 -91.000 PHE 152 1.000 6.987 -33.946 24.051 -99.200 -91.000 TRP 160 1.040 -8.498 -19.438 34.993 -99.200 -91.000 TRP6 160 1.020 -6.803 -18.284 36.159 -99.200 -91.000 TYR 162 0.840 -10.318 -25.522 43.593 -99.200 -91.000 PHE 180 1.000 11.469 -29.257 27.343 -99.200 -91.000 TYR 181 0.840 3.564 -29.332 22.351 -99.200 -91.000 TRP 194 1.040 -6.451 -11.056 42.484 -99.200 -91.000 TRP6 194 1.020 -4.763 -9.655 41.613 -99.200 -91.000 HIS 205 0.900 1.968 -32.900 31.233 -99.200 -91.000