============================================================================= 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. TRP 14 1.040 8.602 7.437 18.061 -99.200 -91.000 TRP6 14 1.020 7.361 9.322 18.781 -99.200 -91.000 PHE 19 1.000 12.741 -4.340 2.739 -99.200 -91.000 TRP 37 1.040 23.206 11.239 13.738 -99.200 -91.000 TRP6 37 1.020 25.031 9.731 13.739 -99.200 -91.000 HIS 43 0.900 19.386 -7.867 19.020 -99.200 -91.000 TYR 47 0.840 23.725 -13.069 18.404 -99.200 -91.000 TRP 49 1.040 21.670 -16.736 15.797 -99.200 -91.000 TRP6 49 1.020 19.682 -15.514 16.187 -99.200 -91.000 PHE 53 1.000 22.524 -7.841 8.046 -99.200 -91.000 HIS 65 0.900 -0.716 1.534 10.056 -99.200 -91.000 TYR 70 0.840 7.251 2.649 -2.311 -99.200 -91.000 TYR 84 0.840 29.253 6.100 13.332 -99.200 -91.000 HIS 86 0.900 28.926 0.903 24.186 -99.200 -91.000 TYR 89 0.840 26.445 -6.350 20.526 -99.200 -91.000 TRP 91 1.040 29.930 -9.999 19.830 -99.200 -91.000 TRP6 91 1.020 30.924 -12.125 19.503 -99.200 -91.000 PHE 110 1.000 12.376 15.628 11.287 -99.200 -91.000 TYR 113 0.840 1.297 10.300 7.196 -99.200 -91.000 HIS 115 0.900 8.061 15.417 14.944 -99.200 -91.000 TYR 132 0.840 6.115 5.790 37.335 -99.200 -91.000 TRP 139 1.040 5.730 -2.924 10.742 -99.200 -91.000 TRP6 139 1.020 7.261 -1.131 10.932 -99.200 -91.000 PHE 177 1.000 13.810 -0.591 30.351 -99.200 -91.000 TYR 181 0.840 0.357 -5.844 31.836 -99.200 -91.000 PHE 200 1.000 9.486 0.291 27.864 -99.200 -91.000 PHE 206 1.000 7.347 14.882 35.753 -99.200 -91.000 TRP 210 1.040 4.556 10.201 22.860 -99.200 -91.000 TRP6 210 1.020 3.821 8.206 23.903 -99.200 -91.000 TYR 211 0.840 11.638 12.904 27.188 -99.200 -91.000 TRP 218 1.040 18.384 -9.807 26.898 -99.200 -91.000 TRP6 218 1.020 17.783 -11.297 28.642 -99.200 -91.000 TYR 228 0.840 8.567 -10.563 34.205 -99.200 -91.000 PHE 230 1.000 15.428 -9.426 31.120 -99.200 -91.000 TYR 231 0.840 11.706 -3.884 26.402 -99.200 -91.000 HIS 233 0.900 18.700 2.753 31.976 -99.200 -91.000 PHE 235 1.000 20.660 9.152 31.951 -99.200 -91.000 TRP 240 1.040 28.937 4.565 21.893 -99.200 -91.000 TRP6 240 1.020 27.144 3.974 20.467 -99.200 -91.000