============================================================================= 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 15.295 37.780 9.342 -99.200 -91.000 PHE 8 1.000 19.984 45.945 10.081 -99.200 -91.000 TYR 10 0.840 25.974 46.440 0.452 -99.200 -91.000 PHE 11 1.000 25.011 46.667 9.673 -99.200 -91.000 TYR 12 0.840 30.333 43.629 10.147 -99.200 -91.000 PHE 33 1.000 43.665 43.772 6.340 -99.200 -91.000 PHE 37 1.000 50.509 35.437 5.933 -99.200 -91.000 TYR 48 0.840 24.528 41.705 -2.504 -99.200 -91.000 PHE 53 1.000 34.033 40.738 -10.882 -99.200 -91.000 TYR 73 0.840 41.205 43.981 -0.965 -99.200 -91.000 TYR 81 0.840 31.613 47.808 10.441 -99.200 -91.000 TYR 95 0.840 8.088 50.903 11.912 -99.200 -91.000 TYR 108 0.840 13.875 36.144 13.399 -99.200 -91.000 TYR 118 0.840 0.803 36.431 5.614 -99.200 -91.000 TYR 122 0.840 4.611 44.028 -0.127 -99.200 -91.000 PHE 150 1.000 8.509 27.647 6.172 -99.200 -91.000 PHE 210 1.000 11.817 11.851 17.398 -99.200 -91.000 TYR 224 0.840 14.497 23.898 13.048 -99.200 -91.000 TYR 233 0.840 9.860 27.394 14.381 -99.200 -91.000 TYR 264 0.840 50.584 37.125 21.159 -99.200 -91.000 PHE 266 1.000 48.737 36.945 31.752 -99.200 -91.000 TYR 273 0.840 37.387 40.519 33.987 -99.200 -91.000 TYR 274 0.840 36.104 49.095 27.283 -99.200 -91.000 HIS 285 0.900 34.390 27.145 29.430 -99.200 -91.000 PHE 302 1.000 36.695 30.032 39.660 -99.200 -91.000 HIS 304 0.900 34.167 33.023 43.950 -99.200 -91.000 TYR 312 0.840 45.618 39.457 34.042 -99.200 -91.000 PHE 337 1.000 36.572 36.224 31.457 -99.200 -91.000 PHE 340 1.000 27.887 37.200 31.188 -99.200 -91.000