============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 90.574 -17.376 13.489 -99.200 -91.000 TYR 31 0.840 72.928 -18.888 11.026 -99.200 -91.000 TYR 36 0.840 75.789 -21.707 16.839 -99.200 -91.000 TYR 37 0.840 77.644 -19.197 24.272 -99.200 -91.000 PHE 38 1.000 82.120 -17.859 17.811 -99.200 -91.000 TRP 40 1.040 89.659 -14.537 20.012 -99.200 -91.000 TRP6 40 1.020 87.333 -14.313 19.807 -99.200 -91.000 TYR 42 0.840 96.225 -15.009 29.559 -99.200 -91.000 PHE 57 1.000 84.362 -10.280 29.372 -99.200 -91.000 PHE 66 1.000 70.630 -6.635 31.189 -99.200 -91.000 TYR 89 0.840 55.709 7.832 38.636 -99.200 -91.000 TRP 90 1.040 62.866 12.741 44.203 -99.200 -91.000 TRP6 90 1.020 64.888 13.140 43.050 -99.200 -91.000 TRP 98 1.040 63.159 19.125 37.829 -99.200 -91.000 TRP6 98 1.020 63.999 17.247 36.667 -99.200 -91.000 HIS 105 0.900 59.466 14.946 28.176 -99.200 -91.000 TYR 109 0.840 69.343 8.413 26.473 -99.200 -91.000 PHE 131 1.000 72.801 16.977 38.674 -99.200 -91.000 TYR 132 0.840 68.716 14.386 38.801 -99.200 -91.000 TRP 135 1.040 69.423 20.080 34.315 -99.200 -91.000 TRP6 135 1.020 67.250 19.786 33.514 -99.200 -91.000 TRP 139 1.040 68.599 22.632 23.714 -99.200 -91.000 TRP6 139 1.020 70.139 20.982 24.352 -99.200 -91.000 TYR 147 0.840 74.169 7.693 25.955 -99.200 -91.000 PHE 155 1.000 62.286 4.912 32.768 -99.200 -91.000 PHE 167 1.000 67.939 -0.085 38.586 -99.200 -91.000 PHE 176 1.000 70.140 -8.618 36.417 -99.200 -91.000 HIS 183 0.900 76.566 -18.204 36.676 -99.200 -91.000 TRP 185 1.040 75.616 -11.733 40.521 -99.200 -91.000 TRP6 185 1.020 74.203 -11.783 42.439 -99.200 -91.000 TYR 196 0.840 83.926 -7.561 38.437 -99.200 -91.000 TRP 198 1.040 91.364 -7.974 38.229 -99.200 -91.000 TRP6 198 1.020 90.890 -6.200 39.717 -99.200 -91.000 TYR 200 0.840 93.891 -6.034 32.526 -99.200 -91.000 HIS 207 0.900 87.085 -5.415 39.079 -99.200 -91.000 TYR 218 0.840 78.116 4.320 35.583 -99.200 -91.000 TRP 230 1.040 69.831 -8.074 27.555 -99.200 -91.000 TRP6 230 1.020 67.819 -7.757 28.736 -99.200 -91.000 TYR 256 0.840 58.873 4.724 23.613 -99.200 -91.000 TRP 257 1.040 61.558 10.800 22.003 -99.200 -91.000 TRP6 257 1.020 60.269 12.771 22.012 -99.200 -91.000 TYR 263 0.840 63.024 5.210 13.391 -99.200 -91.000 TRP 268 1.040 67.046 -3.090 23.774 -99.200 -91.000 TRP6 268 1.020 69.147 -4.085 23.415 -99.200 -91.000 TRP 273 1.040 68.448 -5.983 7.700 -99.200 -91.000 TRP6 273 1.020 70.737 -5.899 8.160 -99.200 -91.000 TRP 309 1.040 72.337 -2.470 13.925 -99.200 -91.000 TRP6 309 1.020 73.700 -4.180 13.080 -99.200 -91.000 HIS 311 0.900 73.216 0.342 17.332 -99.200 -91.000 PHE 319 1.000 85.654 -4.981 32.307 -99.200 -91.000 TYR 322 0.840 77.462 -2.853 18.681 -99.200 -91.000 PHE 325 1.000 67.969 -7.183 19.672 -99.200 -91.000 TYR 341 0.840 86.919 -2.786 21.251 -99.200 -91.000 TRP 351 1.040 76.444 -3.860 8.590 -99.200 -91.000 TRP6 351 1.020 77.566 -4.088 6.610 -99.200 -91.000