============================================================================= 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. PHE 10 1.000 -57.283 60.964 16.083 -99.200 -91.000 TYR 24 0.840 -56.096 51.894 14.497 -99.200 -91.000 TYR 30 0.840 -60.035 36.018 9.431 -99.200 -91.000 TYR 31 0.840 -51.971 35.527 12.417 -99.200 -91.000 TYR 33 0.840 -53.098 28.423 2.566 -99.200 -91.000 TYR 51 0.840 -59.567 35.684 -3.498 -99.200 -91.000 TYR 52 0.840 -66.102 40.584 -1.984 -99.200 -91.000 TYR 54 0.840 -68.467 39.540 4.012 -99.200 -91.000 TRP 56 1.040 -71.710 43.465 14.507 -99.200 -91.000 TRP6 56 1.020 -73.325 44.683 13.279 -99.200 -91.000 PHE 86 1.000 -52.142 30.575 9.627 -99.200 -91.000 HIS 97 0.900 -48.158 31.934 -2.930 -99.200 -91.000 TRP 98 1.040 -50.869 39.930 -1.831 -99.200 -91.000 TRP6 98 1.020 -51.835 38.187 -0.575 -99.200 -91.000 PHE 99 1.000 -44.546 44.442 -3.972 -99.200 -91.000 TRP 102 1.040 -57.625 48.286 -5.429 -99.200 -91.000 TRP6 102 1.020 -57.456 48.543 -7.765 -99.200 -91.000 TYR 132 0.840 -65.341 53.146 -2.515 -99.200 -91.000 HIS 137 0.900 -50.483 50.985 -5.950 -99.200 -91.000 TYR 140 0.840 -42.302 48.660 0.575 -99.200 -91.000 PHE 155 1.000 -57.610 59.218 21.946 -99.200 -91.000 TYR 172 0.840 -67.979 49.943 8.621 -99.200 -91.000 PHE 176 1.000 -57.952 39.591 1.087 -99.200 -91.000 TYR 179 0.840 -51.986 46.910 -8.232 -99.200 -91.000 PHE 188 1.000 -55.698 36.348 4.519 -99.200 -91.000 PHE 196 1.000 -64.493 51.150 20.402 -99.200 -91.000 HIS 208 0.900 -65.897 33.197 9.852 -99.200 -91.000