============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 76.813 37.011 122.145 -99.200 -91.000 TRP6 14 1.020 79.068 36.500 121.630 -99.200 -91.000 PHE 19 1.000 59.419 40.539 115.545 -99.200 -91.000 TRP 37 1.040 68.345 24.915 127.311 -99.200 -91.000 TRP6 37 1.020 66.305 25.153 128.490 -99.200 -91.000 HIS 43 0.900 61.735 43.813 132.299 -99.200 -91.000 TYR 47 0.840 56.432 45.272 135.132 -99.200 -91.000 TRP 49 1.040 54.292 48.352 132.161 -99.200 -91.000 TRP6 49 1.020 56.427 48.449 131.147 -99.200 -91.000 PHE 53 1.000 54.059 38.631 125.625 -99.200 -91.000 HIS 65 0.900 74.272 44.592 110.878 -99.200 -91.000 TYR 70 0.840 62.801 36.287 106.193 -99.200 -91.000 TYR 84 0.840 61.273 25.737 131.325 -99.200 -91.000 HIS 86 0.900 65.070 32.647 140.466 -99.200 -91.000 TYR 89 0.840 59.853 38.829 137.514 -99.200 -91.000 TRP 91 1.040 55.371 40.367 139.574 -99.200 -91.000 TRP6 91 1.020 53.511 41.735 140.077 -99.200 -91.000 PHE 110 1.000 75.540 26.476 117.737 -99.200 -91.000 TYR 113 0.840 76.152 35.913 108.739 -99.200 -91.000 HIS 115 0.900 80.047 30.098 118.253 -99.200 -91.000 TYR 132 0.840 88.483 44.841 135.946 -99.200 -91.000 TRP 139 1.040 68.472 45.090 116.234 -99.200 -91.000 TRP6 139 1.020 68.855 42.866 116.960 -99.200 -91.000 TRP 146 1.040 57.982 62.791 120.253 -99.200 -91.000 TRP6 146 1.020 57.013 60.716 119.663 -99.200 -91.000 PHE 184 1.000 76.290 43.649 136.243 -99.200 -91.000 TYR 188 0.840 81.685 55.650 130.059 -99.200 -91.000 PHE 207 1.000 77.985 44.725 131.504 -99.200 -91.000 PHE 213 1.000 91.418 36.365 134.014 -99.200 -91.000 TRP 217 1.040 83.692 38.154 122.735 -99.200 -91.000 TRP6 217 1.020 83.561 40.443 123.312 -99.200 -91.000 TYR 218 0.840 83.589 33.344 130.086 -99.200 -91.000 TRP 225 1.040 65.993 47.723 137.676 -99.200 -91.000 TRP6 225 1.020 66.347 49.702 138.930 -99.200 -91.000 TYR 235 0.840 75.720 55.542 137.848 -99.200 -91.000 PHE 237 1.000 70.485 49.965 139.369 -99.200 -91.000 TYR 238 0.840 73.288 46.461 132.437 -99.200 -91.000 HIS 240 0.900 76.436 38.818 139.844 -99.200 -91.000 PHE 242 1.000 79.202 32.451 139.640 -99.200 -91.000 TRP 247 1.040 65.870 29.265 138.135 -99.200 -91.000 TRP6 247 1.020 65.762 30.346 136.033 -99.200 -91.000 PHE 255 1.000 61.275 21.700 133.564 -99.200 -91.000