============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 5 1.000 15.097 37.207 8.902 -99.200 -91.000 PHE 8 1.000 19.230 45.457 9.988 -99.200 -91.000 TYR 10 0.840 25.236 46.036 0.396 -99.200 -91.000 PHE 11 1.000 24.593 46.261 9.947 -99.200 -91.000 TYR 12 0.840 29.856 43.316 10.195 -99.200 -91.000 PHE 33 1.000 43.214 44.009 6.782 -99.200 -91.000 PHE 37 1.000 49.968 35.662 5.646 -99.200 -91.000 TYR 48 0.840 24.099 41.385 -2.882 -99.200 -91.000 PHE 53 1.000 33.393 40.829 -10.944 -99.200 -91.000 TYR 73 0.840 40.663 44.119 -1.078 -99.200 -91.000 TYR 81 0.840 31.094 47.528 10.373 -99.200 -91.000 TYR 95 0.840 7.139 50.075 11.538 -99.200 -91.000 TYR 108 0.840 13.485 35.274 12.737 -99.200 -91.000 TYR 118 0.840 0.561 35.432 4.918 -99.200 -91.000 TYR 122 0.840 4.473 43.129 -0.969 -99.200 -91.000 PHE 150 1.000 8.112 27.108 5.948 -99.200 -91.000 PHE 210 1.000 11.999 10.919 16.672 -99.200 -91.000 TYR 224 0.840 14.508 23.411 12.736 -99.200 -91.000 TYR 233 0.840 9.738 26.454 13.551 -99.200 -91.000 TYR 264 0.840 49.902 37.182 20.926 -99.200 -91.000 PHE 266 1.000 48.063 37.414 31.521 -99.200 -91.000 TYR 273 0.840 36.452 40.486 34.168 -99.200 -91.000 TYR 274 0.840 35.347 49.137 27.858 -99.200 -91.000 HIS 285 0.900 33.867 26.847 29.559 -99.200 -91.000 PHE 302 1.000 36.461 29.988 39.717 -99.200 -91.000 HIS 304 0.900 33.673 32.959 43.834 -99.200 -91.000 TYR 312 0.840 44.770 39.559 33.995 -99.200 -91.000 PHE 337 1.000 35.872 36.223 31.459 -99.200 -91.000 PHE 340 1.000 27.189 36.912 31.071 -99.200 -91.000