============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 6 1.000 -11.156 -27.203 4.932 -99.200 -91.000 PHE 9 1.000 -5.479 -24.160 13.340 -99.200 -91.000 HIS 20 0.900 -3.564 -22.862 37.279 -99.200 -91.000 PHE 22 1.000 -2.013 -22.161 30.520 -99.200 -91.000 TYR 33 0.840 -3.887 -19.852 -1.274 -99.200 -91.000 HIS 36 0.900 -13.209 -14.958 6.268 -99.200 -91.000 PHE 51 1.000 -4.715 -18.011 32.508 -99.200 -91.000 TRP 53 1.040 -9.907 -18.477 25.616 -99.200 -91.000 TRP6 53 1.020 -9.069 -20.649 25.948 -99.200 -91.000 PHE 60 1.000 -4.846 -21.498 21.858 -99.200 -91.000 TYR 64 0.840 -5.414 -21.377 8.044 -99.200 -91.000 HIS 67 0.900 0.093 -11.822 3.337 -99.200 -91.000 TYR 74 0.840 9.343 -14.671 6.311 -99.200 -91.000 PHE 79 1.000 3.753 -23.761 6.591 -99.200 -91.000 PHE 83 1.000 4.746 -19.336 10.312 -99.200 -91.000 TRP 85 1.040 3.544 -17.978 15.821 -99.200 -91.000 TRP6 85 1.020 2.777 -17.094 17.869 -99.200 -91.000 PHE 91 1.000 -1.394 -8.640 28.681 -99.200 -91.000 PHE 110 1.000 -1.080 -24.920 7.146 -99.200 -91.000 TYR 112 0.840 -0.799 -23.602 13.462 -99.200 -91.000 PHE 116 1.000 0.396 -17.177 27.192 -99.200 -91.000 PHE 121 1.000 -0.845 -11.184 32.974 -99.200 -91.000 TRP 135 1.040 -7.994 -10.277 22.183 -99.200 -91.000 TRP6 135 1.020 -6.254 -9.062 23.212 -99.200 -91.000 TYR 143 0.840 9.471 -3.758 11.680 -99.200 -91.000 HIS 154 0.900 0.413 0.979 19.919 -99.200 -91.000 HIS 164 0.900 -11.843 0.063 24.638 -99.200 -91.000 TYR 165 0.840 -5.518 -5.397 30.836 -99.200 -91.000 PHE 169 1.000 -1.129 -9.168 21.010 -99.200 -91.000 TYR 173 0.840 4.566 -12.775 12.362 -99.200 -91.000 TYR 184 0.840 6.200 0.666 7.782 -99.200 -91.000 TYR 185 0.840 2.519 -7.091 5.038 -99.200 -91.000 TYR 186 0.840 0.292 -0.171 8.389 -99.200 -91.000 HIS 196 0.900 -17.968 -18.442 27.021 -99.200 -91.000 TYR 200 0.840 -14.383 -17.996 28.717 -99.200 -91.000 TYR 206 0.840 -14.471 -16.083 11.408 -99.200 -91.000 HIS 213 0.900 1.140 -2.373 -0.767 -99.200 -91.000 HIS 214 0.900 -1.275 4.603 5.405 -99.200 -91.000 PHE 216 1.000 -4.166 8.651 4.054 -99.200 -91.000