============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 13 1.000 -25.207 -6.850 66.113 -99.200 -91.000 HIS 23 0.900 -33.828 -15.561 81.599 -99.200 -91.000 TYR 26 0.840 -30.687 -2.782 77.510 -99.200 -91.000 PHE 27 1.000 -27.564 -9.277 72.911 -99.200 -91.000 HIS 30 0.900 -17.516 -4.030 70.506 -99.200 -91.000 TYR 38 0.840 -4.411 -13.569 62.318 -99.200 -91.000 PHE 42 1.000 1.325 -7.405 59.008 -99.200 -91.000 PHE 60 1.000 -25.998 -4.766 61.168 -99.200 -91.000 TYR 62 0.840 -22.032 1.098 52.068 -99.200 -91.000 TRP 67 1.040 -13.341 -1.130 63.210 -99.200 -91.000 TRP6 67 1.020 -13.593 0.089 65.237 -99.200 -91.000 HIS 77 0.900 -7.275 -4.303 45.629 -99.200 -91.000 PHE 89 1.000 -19.151 -12.806 66.199 -99.200 -91.000 PHE 90 1.000 -27.274 -11.552 67.812 -99.200 -91.000 HIS 94 0.900 -17.198 -13.974 81.464 -99.200 -91.000 TYR 95 0.840 -25.714 -19.999 81.623 -99.200 -91.000 TYR 105 0.840 -20.226 -18.516 64.275 -99.200 -91.000 TYR 106 0.840 -29.107 -15.548 64.037 -99.200 -91.000 TYR 124 0.840 -4.606 -6.098 47.397 -99.200 -91.000 HIS 132 0.900 -3.568 -15.185 58.507 -99.200 -91.000 TYR 149 0.840 -7.596 -25.357 48.127 -99.200 -91.000 PHE 152 1.000 -2.937 -19.607 51.700 -99.200 -91.000 PHE 160 1.000 -5.422 -22.420 57.214 -99.200 -91.000 TRP 169 1.040 -14.813 -26.811 59.770 -99.200 -91.000 TRP6 169 1.020 -13.260 -26.590 57.995 -99.200 -91.000 PHE 185 1.000 -2.159 -23.948 48.048 -99.200 -91.000 HIS 186 0.900 6.974 -24.528 53.338 -99.200 -91.000 PHE 189 1.000 5.371 -16.132 59.820 -99.200 -91.000 PHE 213 1.000 -0.316 -29.008 62.706 -99.200 -91.000 TYR 216 0.840 1.724 -31.174 56.423 -99.200 -91.000 TYR 232 0.840 6.851 -25.893 69.153 -99.200 -91.000 TYR 233 0.840 12.828 -19.494 66.760 -99.200 -91.000 TYR 238 0.840 10.440 -17.343 74.303 -99.200 -91.000 TYR 239 0.840 5.213 -21.199 78.590 -99.200 -91.000 TYR 243 0.840 2.118 -10.955 81.002 -99.200 -91.000 PHE 261 1.000 5.313 -14.896 65.746 -99.200 -91.000 TYR 265 0.840 9.371 -13.306 60.256 -99.200 -91.000 TYR 266 0.840 6.598 -10.329 57.277 -99.200 -91.000 PHE 269 1.000 9.743 -5.874 67.876 -99.200 -91.000 TYR 277 0.840 7.466 -5.985 72.311 -99.200 -91.000 PHE 304 1.000 1.221 -6.201 79.800 -99.200 -91.000