============================================================================= 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 -19.347 -1.871 5.527 -99.200 -91.000 TYR 11 0.840 -34.758 -1.744 7.557 -99.200 -91.000 TYR 12 0.840 -32.955 1.105 1.066 -99.200 -91.000 PHE 23 1.000 -14.896 -10.250 -9.344 -99.200 -91.000 TYR 38 0.840 -31.675 6.857 -1.264 -99.200 -91.000 PHE 42 1.000 -28.154 -5.621 -4.264 -99.200 -91.000 HIS 72 0.900 -17.954 19.181 -6.210 -99.200 -91.000 HIS 79 0.900 -29.755 7.266 2.565 -99.200 -91.000 TYR 82 0.840 -29.154 -1.781 4.767 -99.200 -91.000 PHE 101 1.000 -19.811 3.484 -24.232 -99.200 -91.000 PHE 103 1.000 -25.821 13.447 -24.028 -99.200 -91.000 PHE 118 1.000 -21.812 16.297 -21.372 -99.200 -91.000 TYR 127 0.840 -9.875 22.941 -7.032 -99.200 -91.000 TYR 128 0.840 -15.185 17.407 -2.672 -99.200 -91.000 HIS 130 0.900 -6.758 14.944 -8.839 -99.200 -91.000 HIS 136 0.900 -12.853 7.557 -10.474 -99.200 -91.000 PHE 137 1.000 -4.788 5.982 -8.723 -99.200 -91.000 PHE 161 1.000 -15.569 8.368 -6.281 -99.200 -91.000 HIS 165 0.900 -5.921 2.658 -4.037 -99.200 -91.000 PHE 169 1.000 2.867 8.128 3.582 -99.200 -91.000 PHE 173 1.000 5.256 -0.544 -6.689 -99.200 -91.000 PHE 177 1.000 -2.846 -1.996 -16.219 -99.200 -91.000 PHE 182 1.000 -11.349 5.793 -21.460 -99.200 -91.000 TYR 190 0.840 2.120 -3.719 -14.377 -99.200 -91.000 TRP 200 1.040 -2.999 9.160 -20.124 -99.200 -91.000 TRP6 200 1.020 -1.021 9.546 -21.422 -99.200 -91.000 TYR 207 0.840 -7.924 12.150 -29.712 -99.200 -91.000 PHE 216 1.000 -2.797 7.560 -26.009 -99.200 -91.000 TYR 233 0.840 -1.822 12.425 -28.442 -99.200 -91.000 PHE 235 1.000 -4.474 16.705 -30.801 -99.200 -91.000 TYR 239 0.840 -12.029 10.670 -36.853 -99.200 -91.000 PHE 240 1.000 -9.164 15.763 -32.519 -99.200 -91.000 PHE 250 1.000 -7.901 20.919 -21.018 -99.200 -91.000 HIS 271 0.900 -5.221 25.241 -21.873 -99.200 -91.000 TRP 273 1.040 -10.758 24.705 -25.190 -99.200 -91.000 TRP6 273 1.020 -11.247 22.491 -24.572 -99.200 -91.000 PHE 278 1.000 -2.124 -9.128 -17.487 -99.200 -91.000