============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 14 1.000 -15.177 23.260 70.227 -99.200 -91.000 PHE 18 1.000 -9.498 28.697 82.371 -99.200 -91.000 PHE 24 1.000 -15.398 31.017 74.264 -99.200 -91.000 TYR 37 0.840 -9.137 18.820 78.219 -99.200 -91.000 TRP 41 1.040 -12.157 25.501 89.581 -99.200 -91.000 TRP6 41 1.020 -10.261 26.005 90.911 -99.200 -91.000 TYR 44 0.840 -22.837 22.959 93.415 -99.200 -91.000 TYR 49 0.840 -19.129 21.143 79.245 -99.200 -91.000 PHE 53 1.000 -22.407 21.195 75.883 -99.200 -91.000 HIS 72 0.900 -6.119 22.186 71.341 -99.200 -91.000 PHE 79 1.000 -8.207 35.217 80.279 -99.200 -91.000 PHE 84 1.000 -7.145 39.895 85.017 -99.200 -91.000 PHE 93 1.000 -1.493 39.397 84.142 -99.200 -91.000 PHE 101 1.000 -2.399 34.941 78.471 -99.200 -91.000 PHE 102 1.000 0.661 35.028 83.239 -99.200 -91.000 PHE 117 1.000 -13.683 33.108 70.100 -99.200 -91.000 PHE 124 1.000 -7.403 40.584 80.291 -99.200 -91.000 HIS 127 0.900 -5.844 45.051 85.870 -99.200 -91.000 TYR 145 0.840 -0.577 30.693 68.407 -99.200 -91.000 PHE 147 1.000 -3.951 39.979 71.704 -99.200 -91.000 HIS 148 0.900 -6.116 39.762 64.058 -99.200 -91.000 TYR 157 0.840 -21.742 42.311 67.285 -99.200 -91.000 TYR 167 0.840 -16.295 38.844 72.741 -99.200 -91.000 PHE 171 1.000 -7.103 33.768 62.829 -99.200 -91.000 PHE 180 1.000 -11.019 37.635 63.490 -99.200 -91.000 PHE 182 1.000 -12.258 41.348 66.855 -99.200 -91.000 PHE 186 1.000 -26.799 41.939 64.047 -99.200 -91.000 PHE 191 1.000 -35.633 46.675 71.390 -99.200 -91.000 HIS 204 0.900 -40.686 31.809 90.970 -99.200 -91.000 TYR 242 0.840 -31.182 48.868 85.183 -99.200 -91.000 TYR 254 0.840 -18.251 34.568 92.321 -99.200 -91.000 PHE 259 1.000 -35.163 44.245 92.340 -99.200 -91.000 TYR 265 0.840 -34.446 43.736 83.895 -99.200 -91.000 HIS 275 0.900 -37.437 30.914 85.480 -99.200 -91.000 TYR 285 0.840 -25.899 29.664 77.302 -99.200 -91.000 TYR 289 0.840 -27.011 24.971 78.552 -99.200 -91.000 HIS 292 0.900 -26.796 22.902 89.162 -99.200 -91.000 TYR 299 0.840 -31.214 33.740 89.312 -99.200 -91.000 PHE 302 1.000 -27.994 30.419 82.099 -99.200 -91.000 TYR 313 0.840 -23.855 37.221 64.639 -99.200 -91.000 TYR 316 0.840 -20.219 32.355 58.688 -99.200 -91.000 PHE 324 1.000 -9.268 34.552 50.265 -99.200 -91.000 TYR 327 0.840 -4.733 25.976 43.955 -99.200 -91.000