============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TRP 7 1.040 17.543 29.612 42.216 -99.200 -91.000 TRP6 7 1.020 17.775 27.558 43.365 -99.200 -91.000 PHE 10 1.000 20.396 33.815 43.541 -99.200 -91.000 PHE 11 1.000 25.110 28.694 39.340 -99.200 -91.000 PHE 14 1.000 28.743 35.913 43.834 -99.200 -91.000 PHE 35 1.000 21.583 27.757 36.433 -99.200 -91.000 TYR 44 0.840 31.474 18.094 36.239 -99.200 -91.000 PHE 50 1.000 36.552 9.354 48.098 -99.200 -91.000 HIS 53 0.900 40.165 8.551 51.516 -99.200 -91.000 PHE 56 1.000 35.230 4.810 51.540 -99.200 -91.000 PHE 67 1.000 39.995 14.003 71.593 -99.200 -91.000 PHE 70 1.000 46.347 10.657 61.291 -99.200 -91.000 TRP 72 1.040 54.493 19.316 57.261 -99.200 -91.000 TRP6 72 1.020 55.846 21.148 57.903 -99.200 -91.000 HIS 79 0.900 47.027 21.087 52.674 -99.200 -91.000 TRP 95 1.040 50.021 16.344 54.679 -99.200 -91.000 TRP6 95 1.020 50.299 15.165 56.715 -99.200 -91.000 TYR 97 0.840 41.097 12.709 54.648 -99.200 -91.000 PHE 100 1.000 43.239 9.069 57.371 -99.200 -91.000 TYR 112 0.840 35.732 0.594 53.512 -99.200 -91.000 TYR 118 0.840 31.399 9.398 46.547 -99.200 -91.000 TYR 127 0.840 40.408 6.395 45.656 -99.200 -91.000 TRP 128 1.040 40.862 12.140 47.073 -99.200 -91.000 TRP6 128 1.020 42.422 10.536 47.840 -99.200 -91.000 PHE 143 1.000 28.366 10.206 50.991 -99.200 -91.000 TYR 148 0.840 19.442 15.392 58.364 -99.200 -91.000 PHE 154 1.000 31.249 3.385 55.777 -99.200 -91.000 HIS 158 0.900 33.795 4.960 63.138 -99.200 -91.000 TRP 174 1.040 21.955 29.638 61.883 -99.200 -91.000 TRP6 174 1.020 23.962 29.680 60.636 -99.200 -91.000 TRP 182 1.040 40.241 24.159 42.062 -99.200 -91.000 TRP6 182 1.020 42.492 24.874 42.232 -99.200 -91.000 TRP 188 1.040 32.795 18.679 43.230 -99.200 -91.000 TRP6 188 1.020 30.689 17.761 42.694 -99.200 -91.000 TRP 189 1.040 30.859 24.778 50.490 -99.200 -91.000 TRP6 189 1.020 29.381 26.415 51.355 -99.200 -91.000 TRP 192 1.040 23.121 18.688 56.671 -99.200 -91.000 TRP6 192 1.020 24.470 16.768 56.348 -99.200 -91.000 TRP 195 1.040 17.710 26.597 58.652 -99.200 -91.000 TRP6 195 1.020 17.926 28.652 59.797 -99.200 -91.000 PHE 201 1.000 20.141 16.957 53.344 -99.200 -91.000 PHE 202 1.000 25.468 23.525 50.653 -99.200 -91.000 PHE 216 1.000 35.160 35.170 44.471 -99.200 -91.000