============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 35 0.840 29.347 45.527 20.255 -99.200 -91.000 PHE 41 1.000 28.436 50.965 12.921 -99.200 -91.000 TYR 80 0.840 33.567 73.555 10.571 -99.200 -91.000 HIS 87 0.900 43.898 80.437 2.353 -99.200 -91.000 TYR 104 0.840 42.500 73.625 11.813 -99.200 -91.000 PHE 126 1.000 43.935 55.356 -2.095 -99.200 -91.000 PHE 135 1.000 35.754 55.032 1.296 -99.200 -91.000 HIS 172 0.900 55.763 49.927 4.061 -99.200 -91.000 TRP 185 1.040 48.825 66.585 6.255 -99.200 -91.000 TRP6 185 1.020 48.550 65.708 4.092 -99.200 -91.000 TRP 204 1.040 49.316 54.330 25.372 -99.200 -91.000 TRP6 204 1.020 47.614 52.804 24.886 -99.200 -91.000 TYR 215 0.840 18.653 59.411 11.188 -99.200 -91.000 TRP 225 1.040 53.048 54.823 16.474 -99.200 -91.000 TRP6 225 1.020 51.708 56.378 15.297 -99.200 -91.000 TYR 237 0.840 33.314 54.236 11.443 -99.200 -91.000 PHE 238 1.000 26.553 55.992 19.750 -99.200 -91.000