============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. HIS 20 0.900 116.426 26.759 57.518 -99.200 -91.000 TYR 78 0.840 112.418 23.710 40.805 -99.200 -91.000 TYR 102 0.840 103.866 30.166 42.153 -99.200 -91.000 TRP 108 1.040 121.970 35.995 41.010 -99.200 -91.000 TRP6 108 1.020 123.411 37.301 42.342 -99.200 -91.000 HIS 120 0.900 125.329 26.614 44.801 -99.200 -91.000 TYR 124 0.840 122.433 33.580 45.175 -99.200 -91.000 HIS 132 0.900 135.221 44.633 51.108 -99.200 -91.000 PHE 151 1.000 120.359 27.433 55.400 -99.200 -91.000 PHE 157 1.000 114.515 39.005 55.382 -99.200 -91.000 TRP 167 1.040 97.655 40.673 58.777 -99.200 -91.000 TRP6 167 1.020 96.636 40.721 60.884 -99.200 -91.000 TRP 194 1.040 123.344 48.132 53.870 -99.200 -91.000 TRP6 194 1.020 124.738 49.105 52.203 -99.200 -91.000 TRP 202 1.040 130.368 48.415 59.508 -99.200 -91.000 TRP6 202 1.020 130.505 47.056 61.452 -99.200 -91.000 TYR 217 0.840 134.769 46.883 73.097 -99.200 -91.000 TYR 218 0.840 130.736 41.490 69.334 -99.200 -91.000 TYR 221 0.840 140.730 38.291 73.586 -99.200 -91.000 TYR 228 0.840 140.061 28.874 69.392 -99.200 -91.000 PHE 238 1.000 126.306 44.290 80.366 -99.200 -91.000 TYR 239 0.840 136.742 46.704 79.000 -99.200 -91.000 TRP 262 1.040 140.127 49.282 70.803 -99.200 -91.000 TRP6 262 1.020 138.542 49.207 69.042 -99.200 -91.000 PHE 273 1.000 139.844 36.270 78.169 -99.200 -91.000 HIS 276 0.900 144.694 30.076 85.088 -99.200 -91.000 HIS 280 0.900 140.946 29.466 85.551 -99.200 -91.000 TRP 281 1.040 140.275 32.039 80.977 -99.200 -91.000 TRP6 281 1.020 140.975 33.365 82.836 -99.200 -91.000 PHE 285 1.000 135.245 36.119 82.976 -99.200 -91.000 PHE 298 1.000 128.737 22.660 64.342 -99.200 -91.000 HIS 302 0.900 127.046 15.554 73.854 -99.200 -91.000 HIS 306 0.900 120.757 28.639 79.069 -99.200 -91.000 PHE 313 1.000 121.336 21.534 69.500 -99.200 -91.000 TYR 314 0.840 114.921 16.274 67.264 -99.200 -91.000 TRP 320 1.040 123.095 15.109 70.666 -99.200 -91.000 TRP6 320 1.020 121.611 14.918 72.513 -99.200 -91.000 PHE 328 1.000 105.232 29.397 68.168 -99.200 -91.000 TRP 352 1.040 96.244 17.778 52.048 -99.200 -91.000 TRP6 352 1.020 97.911 19.045 50.953 -99.200 -91.000