============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 20 1.000 8.903 -9.467 37.531 -99.200 -91.000 TRP 33 1.040 14.652 -3.982 46.718 -99.200 -91.000 TRP6 33 1.020 14.992 -6.250 47.235 -99.200 -91.000 PHE 45 1.000 7.901 -18.505 36.523 -99.200 -91.000 HIS 50 0.900 9.723 -27.060 41.366 -99.200 -91.000 TYR 61 0.840 26.748 -2.297 33.555 -99.200 -91.000 HIS 79 0.900 21.503 -7.980 52.853 -99.200 -91.000 TYR 80 0.840 16.808 -12.067 46.754 -99.200 -91.000 TYR 103 0.840 34.514 -8.923 32.939 -99.200 -91.000 TYR 166 0.840 16.670 -25.877 41.435 -99.200 -91.000 HIS 176 0.900 45.337 -21.808 37.684 -99.200 -91.000 TYR 177 0.840 40.979 -15.972 41.567 -99.200 -91.000 TRP 203 1.040 33.084 -14.015 44.689 -99.200 -91.000 TRP6 203 1.020 31.736 -12.301 45.590 -99.200 -91.000 TYR 214 0.840 29.829 -0.970 49.725 -99.200 -91.000 TYR 218 0.840 27.403 -8.793 52.314 -99.200 -91.000 HIS 225 0.900 41.792 -12.279 62.203 -99.200 -91.000 HIS 243 0.900 49.825 -10.345 40.058 -99.200 -91.000 TYR 249 0.840 41.127 -9.378 29.362 -99.200 -91.000