============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TRP 12 1.040 70.317 51.239 100.917 -99.200 -91.000 TRP6 12 1.020 71.497 53.119 100.111 -99.200 -91.000 TRP 14 1.040 65.257 55.320 98.774 -99.200 -91.000 TRP6 14 1.020 66.677 56.816 99.940 -99.200 -91.000 HIS 21 0.900 46.386 36.126 96.203 -99.200 -91.000 TYR 24 0.840 55.529 32.942 98.228 -99.200 -91.000 TRP 25 1.040 49.630 38.606 99.323 -99.200 -91.000 TRP6 25 1.020 48.653 39.816 97.540 -99.200 -91.000 HIS 27 0.900 61.056 41.580 95.257 -99.200 -91.000 PHE 28 1.000 55.406 42.405 90.915 -99.200 -91.000 HIS 35 0.900 52.866 62.392 97.777 -99.200 -91.000 TRP 38 1.040 51.185 59.638 94.294 -99.200 -91.000 TRP6 38 1.020 50.123 58.954 92.299 -99.200 -91.000 HIS 44 0.900 60.881 45.707 83.357 -99.200 -91.000 HIS 64 0.900 66.911 39.609 107.275 -99.200 -91.000 TYR 66 0.840 58.980 36.724 100.340 -99.200 -91.000 TYR 67 0.840 61.606 38.182 110.824 -99.200 -91.000 HIS 80 0.900 55.675 57.919 79.424 -99.200 -91.000 PHE 83 1.000 56.908 49.141 79.214 -99.200 -91.000 TYR 84 0.840 54.595 46.257 72.946 -99.200 -91.000 HIS 106 0.900 63.661 51.030 109.514 -99.200 -91.000 HIS 108 0.900 63.533 59.157 104.903 -99.200 -91.000 PHE 119 1.000 71.727 62.171 88.994 -99.200 -91.000 TRP 126 1.040 76.166 53.669 97.366 -99.200 -91.000 TRP6 126 1.020 77.242 51.854 98.427 -99.200 -91.000 TRP 130 1.040 64.713 42.472 99.564 -99.200 -91.000 TRP6 130 1.020 63.325 44.372 99.354 -99.200 -91.000 PHE 141 1.000 64.027 34.606 100.559 -99.200 -91.000 HIS 154 0.900 79.373 57.511 71.771 -99.200 -91.000 TYR 160 0.840 74.086 46.711 76.724 -99.200 -91.000 HIS 161 0.900 75.823 49.589 69.121 -99.200 -91.000 TYR 165 0.840 75.930 38.703 64.271 -99.200 -91.000 TRP 203 1.040 71.491 59.250 100.305 -99.200 -91.000 TRP6 203 1.020 73.105 58.007 99.100 -99.200 -91.000 TRP 211 1.040 66.890 47.765 78.958 -99.200 -91.000 TRP6 211 1.020 68.417 47.102 77.282 -99.200 -91.000 TYR 224 0.840 70.469 51.007 86.874 -99.200 -91.000 TYR 229 0.840 63.634 61.405 77.878 -99.200 -91.000 TYR 230 0.840 60.501 58.912 80.498 -99.200 -91.000 TRP 233 1.040 54.016 59.974 82.640 -99.200 -91.000 TRP6 233 1.020 54.508 58.299 84.235 -99.200 -91.000 HIS 235 0.900 57.805 66.883 89.336 -99.200 -91.000 HIS 236 0.900 49.083 64.932 83.996 -99.200 -91.000 TYR 237 0.840 49.636 60.877 85.920 -99.200 -91.000