============================================================================= 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 0.900 115.458 42.846 60.579 -99.200 -91.000 TYR 78 0.840 111.406 46.340 77.498 -99.200 -91.000 TYR 102 0.840 103.181 39.946 76.100 -99.200 -91.000 TRP 108 1.040 121.245 33.754 77.024 -99.200 -91.000 TRP6 108 1.020 122.581 32.348 75.663 -99.200 -91.000 HIS 120 0.900 124.700 42.789 73.031 -99.200 -91.000 TYR 124 0.840 121.741 35.876 72.658 -99.200 -91.000 HIS 132 0.900 134.087 24.576 66.550 -99.200 -91.000 PHE 151 1.000 119.420 42.137 62.598 -99.200 -91.000 PHE 157 1.000 113.402 30.644 62.907 -99.200 -91.000 TRP 167 1.040 96.494 29.078 59.826 -99.200 -91.000 TRP6 167 1.020 95.436 29.272 57.737 -99.200 -91.000 TRP 194 1.040 122.103 21.398 64.381 -99.200 -91.000 TRP6 194 1.020 123.497 20.422 66.045 -99.200 -91.000 TRP 202 1.040 128.968 21.036 58.244 -99.200 -91.000 TRP6 202 1.020 129.100 22.399 56.312 -99.200 -91.000 TYR 217 0.840 133.033 22.422 44.916 -99.200 -91.000 TYR 218 0.840 129.314 27.919 48.508 -99.200 -91.000 TYR 221 0.840 139.421 30.927 44.254 -99.200 -91.000 TYR 228 0.840 138.926 40.296 48.310 -99.200 -91.000 PHE 238 1.000 124.878 25.326 37.173 -99.200 -91.000 TYR 239 0.840 135.224 22.488 38.969 -99.200 -91.000 TRP 262 1.040 138.436 19.954 47.282 -99.200 -91.000 TRP6 262 1.020 136.764 20.111 48.956 -99.200 -91.000 PHE 273 1.000 138.498 32.983 39.615 -99.200 -91.000 HIS 276 0.900 143.592 38.737 32.767 -99.200 -91.000 HIS 280 0.900 139.835 39.249 32.070 -99.200 -91.000 TRP 281 1.040 138.921 37.161 36.921 -99.200 -91.000 TRP6 281 1.020 139.703 35.779 35.179 -99.200 -91.000 PHE 285 1.000 134.134 33.140 34.727 -99.200 -91.000 PHE 298 1.000 127.595 46.537 53.487 -99.200 -91.000 HIS 302 0.900 125.490 53.553 44.226 -99.200 -91.000 HIS 306 0.900 119.122 40.627 39.161 -99.200 -91.000 PHE 313 1.000 120.148 47.724 48.569 -99.200 -91.000 TYR 314 0.840 113.921 53.255 50.761 -99.200 -91.000 TRP 320 1.040 122.050 54.169 47.105 -99.200 -91.000 TRP6 320 1.020 120.362 54.218 45.437 -99.200 -91.000 PHE 328 1.000 104.016 40.029 50.102 -99.200 -91.000 TRP 352 1.040 95.420 52.080 66.023 -99.200 -91.000 TRP6 352 1.020 97.062 50.815 67.169 -99.200 -91.000