============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 5 0.900 -112.822 41.666 -29.284 -99.200 -91.000 PHE 21 1.000 -107.393 52.244 -10.204 -99.200 -91.000 TYR 26 0.840 -97.533 52.080 -2.670 -99.200 -91.000 PHE 54 1.000 -93.285 56.171 -10.823 -99.200 -91.000 TYR 65 0.840 -104.563 61.002 -22.468 -99.200 -91.000 TYR 78 0.840 -108.536 56.602 -8.206 -99.200 -91.000 HIS 98 0.900 -98.415 64.068 -29.240 -99.200 -91.000 TYR 124 0.840 -103.147 46.495 -33.675 -99.200 -91.000 TYR 131 0.840 -103.673 33.996 -41.915 -99.200 -91.000 PHE 141 1.000 -90.874 46.144 -35.367 -99.200 -91.000 PHE 146 1.000 -89.573 52.561 -35.886 -99.200 -91.000 TYR 148 0.840 -91.191 51.998 -25.248 -99.200 -91.000 PHE 149 1.000 -84.428 53.536 -30.925 -99.200 -91.000 HIS 150 0.900 -88.763 59.107 -33.370 -99.200 -91.000 HIS 158 0.900 -85.833 69.393 -21.818 -99.200 -91.000 TYR 174 0.840 -86.360 38.912 -21.122 -99.200 -91.000 TYR 183 0.840 -96.794 42.939 -27.573 -99.200 -91.000 PHE 193 1.000 -84.422 52.757 -26.363 -99.200 -91.000 TRP 217 1.040 -108.659 42.295 -15.932 -99.200 -91.000 TRP6 217 1.020 -109.433 41.038 -17.772 -99.200 -91.000 PHE 225 1.000 -104.253 38.165 -26.532 -99.200 -91.000 PHE 233 1.000 -104.246 38.074 -19.664 -99.200 -91.000 TYR 245 0.840 -102.580 45.016 -6.321 -99.200 -91.000 TYR 251 0.840 -93.312 50.012 -14.351 -99.200 -91.000 TYR 253 0.840 -85.192 48.105 -6.885 -99.200 -91.000 TYR 261 0.840 -73.225 49.053 -7.770 -99.200 -91.000 HIS 267 0.900 -87.352 39.124 -16.621 -99.200 -91.000