============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 2 0.900 82.902 25.986 75.058 -99.200 -91.000 TRP 17 1.040 120.961 5.060 54.630 -99.200 -91.000 TRP6 17 1.020 120.426 7.338 54.928 -99.200 -91.000 TYR 26 0.840 107.096 -3.401 64.596 -99.200 -91.000 HIS 27 0.900 112.931 -5.110 59.130 -99.200 -91.000 TYR 33 0.840 111.121 10.462 61.467 -99.200 -91.000 PHE 38 1.000 100.061 17.412 51.582 -99.200 -91.000 TYR 39 0.840 100.454 22.812 57.509 -99.200 -91.000 TYR 43 0.840 87.210 21.512 60.929 -99.200 -91.000 TYR 65 0.840 87.845 4.841 69.259 -99.200 -91.000 PHE 71 1.000 95.261 11.596 77.555 -99.200 -91.000 TYR 81 0.840 88.168 17.554 74.635 -99.200 -91.000 PHE 84 1.000 84.904 15.287 59.569 -99.200 -91.000 PHE 135 1.000 109.621 14.994 62.483 -99.200 -91.000 PHE 136 1.000 104.440 13.855 61.789 -99.200 -91.000 TYR 177 0.840 110.472 -1.606 57.302 -99.200 -91.000 HIS 184 0.900 117.382 -5.213 49.700 -99.200 -91.000 PHE 185 1.000 118.586 -5.906 57.403 -99.200 -91.000 TYR 190 0.840 126.343 3.857 53.463 -99.200 -91.000 TYR 218 0.840 103.037 -1.252 46.592 -99.200 -91.000 TYR 225 0.840 113.697 6.837 40.969 -99.200 -91.000 PHE 227 1.000 106.471 12.902 33.704 -99.200 -91.000 TYR 230 0.840 110.482 13.179 29.571 -99.200 -91.000 PHE 233 1.000 113.621 19.218 38.374 -99.200 -91.000 PHE 236 1.000 116.742 12.802 46.048 -99.200 -91.000 TYR 245 0.840 111.910 13.446 48.969 -99.200 -91.000 PHE 246 1.000 110.319 17.405 41.181 -99.200 -91.000 PHE 247 1.000 115.696 18.113 47.950 -99.200 -91.000 TRP 263 1.040 100.905 9.912 38.834 -99.200 -91.000 TRP6 263 1.020 102.638 10.136 37.240 -99.200 -91.000