============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TRP 7 1.040 102.444 -3.797 -8.326 -99.200 -91.000 TRP6 7 1.020 102.864 -5.894 -9.340 -99.200 -91.000 TRP 26 1.040 103.263 17.915 -17.042 -99.200 -91.000 TRP6 26 1.020 104.010 17.201 -19.174 -99.200 -91.000 PHE 28 1.000 109.777 14.356 -12.479 -99.200 -91.000 TRP 38 1.040 111.186 -1.664 -20.655 -99.200 -91.000 TRP6 38 1.020 110.564 -2.112 -22.893 -99.200 -91.000 PHE 39 1.000 110.422 -5.764 -12.887 -99.200 -91.000 HIS 43 0.900 110.670 -5.753 -22.137 -99.200 -91.000 PHE 72 1.000 100.291 7.353 -19.860 -99.200 -91.000 TRP 74 1.040 104.748 14.368 -28.113 -99.200 -91.000 TRP6 74 1.020 106.798 13.438 -27.398 -99.200 -91.000 TYR 83 0.840 114.390 10.057 -26.946 -99.200 -91.000 TYR 88 0.840 115.985 15.156 -23.794 -99.200 -91.000 TYR 90 0.840 113.644 17.600 -14.249 -99.200 -91.000 HIS 105 0.900 118.282 12.990 -26.379 -99.200 -91.000 HIS 114 0.900 95.931 6.759 -22.801 -99.200 -91.000 TRP 127 1.040 94.002 -2.671 -15.287 -99.200 -91.000 TRP6 127 1.020 96.208 -1.858 -15.573 -99.200 -91.000 TRP 143 1.040 98.835 15.181 -0.792 -99.200 -91.000 TRP6 143 1.020 99.618 13.609 -2.363 -99.200 -91.000 TYR 146 0.840 102.294 11.803 4.378 -99.200 -91.000 HIS 161 0.900 101.801 16.499 -7.266 -99.200 -91.000 TYR 168 0.840 95.574 -3.721 -3.100 -99.200 -91.000 TYR 175 0.840 98.779 1.025 4.094 -99.200 -91.000 TRP 176 1.040 94.183 3.953 -2.960 -99.200 -91.000 TRP6 176 1.020 94.266 2.117 -4.443 -99.200 -91.000 TRP 182 1.040 106.304 17.618 -4.634 -99.200 -91.000 TRP6 182 1.020 104.451 17.957 -3.195 -99.200 -91.000 TRP 186 1.040 106.261 15.794 0.887 -99.200 -91.000 TRP6 186 1.020 104.952 14.006 0.063 -99.200 -91.000 TYR 191 0.840 107.541 5.321 -2.442 -99.200 -91.000