============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 20 0.900 13.199 18.421 27.797 -99.200 -91.000 PHE 22 1.000 14.223 13.930 37.136 -99.200 -91.000 PHE 33 1.000 23.612 4.085 65.943 -99.200 -91.000 PHE 51 1.000 18.174 13.057 33.973 -99.200 -91.000 TYR 53 0.840 19.093 6.746 38.298 -99.200 -91.000 PHE 60 1.000 17.477 9.283 43.633 -99.200 -91.000 PHE 64 1.000 20.772 5.736 56.501 -99.200 -91.000 TYR 67 0.840 29.584 12.260 61.903 -99.200 -91.000 TYR 74 0.840 23.754 20.203 62.060 -99.200 -91.000 PHE 75 1.000 24.884 15.561 59.019 -99.200 -91.000 PHE 79 1.000 16.750 12.356 61.591 -99.200 -91.000 TYR 83 0.840 19.875 15.902 57.815 -99.200 -91.000 TRP 85 1.040 20.495 16.911 51.984 -99.200 -91.000 TRP6 85 1.020 20.680 17.105 49.618 -99.200 -91.000 TYR 91 0.840 27.662 17.741 37.251 -99.200 -91.000 TYR 110 0.840 16.549 7.964 59.182 -99.200 -91.000 TYR 112 0.840 16.033 10.155 52.453 -99.200 -91.000 PHE 116 1.000 19.221 16.594 40.068 -99.200 -91.000 PHE 121 1.000 23.973 18.795 33.572 -99.200 -91.000 TRP 135 1.040 28.744 10.509 41.374 -99.200 -91.000 TRP6 135 1.020 29.329 12.700 40.695 -99.200 -91.000 TYR 143 0.840 32.924 24.797 55.695 -99.200 -91.000 HIS 164 0.900 38.685 10.148 36.740 -99.200 -91.000 TYR 165 0.840 31.017 16.292 33.406 -99.200 -91.000 PHE 169 1.000 28.422 16.728 44.520 -99.200 -91.000 TYR 173 0.840 25.067 18.507 54.959 -99.200 -91.000 TYR 184 0.840 37.495 22.105 57.971 -99.200 -91.000 HIS 185 0.900 32.757 16.560 60.893 -99.200 -91.000 PHE 186 1.000 39.149 16.641 56.923 -99.200 -91.000 HIS 189 0.900 30.146 11.248 51.499 -99.200 -91.000 HIS 190 0.900 34.947 4.415 49.405 -99.200 -91.000 HIS 196 0.900 22.536 -0.066 34.666 -99.200 -91.000 TYR 200 0.840 21.587 3.625 34.059 -99.200 -91.000 HIS 206 0.900 24.104 -1.737 47.870 -99.200 -91.000 HIS 208 0.900 31.940 2.219 51.914 -99.200 -91.000 HIS 212 0.900 38.648 11.088 57.477 -99.200 -91.000