============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 3 1.000 19.140 -1.880 -5.630 -99.200 -91.000 TYR 11 0.840 34.648 -1.740 -7.574 -99.200 -91.000 TYR 12 0.840 32.695 1.124 -1.077 -99.200 -91.000 PHE 23 1.000 15.348 -11.044 9.432 -99.200 -91.000 TYR 38 0.840 31.412 6.906 1.301 -99.200 -91.000 PHE 42 1.000 27.821 -5.586 4.318 -99.200 -91.000 HIS 72 0.900 17.830 19.210 6.172 -99.200 -91.000 HIS 79 0.900 29.581 7.292 -2.532 -99.200 -91.000 TYR 82 0.840 29.010 -1.748 -4.782 -99.200 -91.000 PHE 101 1.000 19.668 3.543 24.153 -99.200 -91.000 PHE 103 1.000 25.685 13.652 23.988 -99.200 -91.000 PHE 118 1.000 21.732 16.314 21.277 -99.200 -91.000 TYR 127 0.840 9.749 22.917 7.067 -99.200 -91.000 TYR 128 0.840 15.112 17.306 2.618 -99.200 -91.000 HIS 130 0.900 6.713 14.886 8.725 -99.200 -91.000 HIS 136 0.900 12.797 7.626 10.402 -99.200 -91.000 PHE 137 1.000 4.730 6.005 8.679 -99.200 -91.000 PHE 161 1.000 15.616 8.287 6.188 -99.200 -91.000 HIS 165 0.900 5.971 2.603 4.055 -99.200 -91.000 PHE 169 1.000 -2.817 7.997 -3.482 -99.200 -91.000 PHE 173 1.000 -5.163 -0.505 6.610 -99.200 -91.000 PHE 177 1.000 2.755 -1.912 16.185 -99.200 -91.000 PHE 182 1.000 11.311 5.810 21.418 -99.200 -91.000 TYR 190 0.840 -2.102 -3.690 14.295 -99.200 -91.000 TRP 200 1.040 2.883 9.211 20.082 -99.200 -91.000 TRP6 200 1.020 0.921 9.603 21.369 -99.200 -91.000 TYR 207 0.840 7.818 12.200 29.715 -99.200 -91.000 PHE 216 1.000 2.665 7.671 25.931 -99.200 -91.000 TYR 233 0.840 1.728 12.533 28.308 -99.200 -91.000 PHE 235 1.000 4.481 16.786 30.730 -99.200 -91.000 TYR 239 0.840 11.887 10.804 36.520 -99.200 -91.000 PHE 240 1.000 9.114 15.884 32.441 -99.200 -91.000 PHE 250 1.000 7.846 20.934 20.878 -99.200 -91.000 HIS 271 0.900 5.206 25.255 21.694 -99.200 -91.000 TRP 273 1.040 10.736 24.696 25.050 -99.200 -91.000 TRP6 273 1.020 11.261 22.499 24.432 -99.200 -91.000 PHE 279 1.000 2.342 -9.030 17.415 -99.200 -91.000