============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 8 1.000 26.398 25.532 14.286 -99.200 -91.000 PHE 24 1.000 43.258 6.415 20.549 -99.200 -91.000 PHE 37 1.000 28.923 13.454 16.567 -99.200 -91.000 TYR 50 0.840 43.649 11.838 32.657 -99.200 -91.000 TYR 52 0.840 51.765 18.246 34.847 -99.200 -91.000 PHE 57 1.000 54.327 20.476 31.723 -99.200 -91.000 PHE 59 1.000 52.195 18.040 26.732 -99.200 -91.000 TRP 68 1.040 41.286 8.173 15.442 -99.200 -91.000 TRP6 68 1.020 39.184 9.216 15.580 -99.200 -91.000 HIS 77 0.900 36.328 23.182 23.469 -99.200 -91.000 HIS 79 0.900 36.323 19.248 29.442 -99.200 -91.000 TRP 83 1.040 36.750 20.815 36.096 -99.200 -91.000 TRP6 83 1.020 36.463 18.474 35.852 -99.200 -91.000 HIS 84 0.900 35.884 22.162 40.504 -99.200 -91.000 TYR 87 0.840 38.233 13.928 38.244 -99.200 -91.000 TRP 92 1.040 51.226 21.999 38.824 -99.200 -91.000 TRP6 92 1.020 49.578 23.709 38.844 -99.200 -91.000 PHE 100 1.000 48.142 27.018 42.799 -99.200 -91.000 PHE 104 1.000 46.941 29.328 37.006 -99.200 -91.000 HIS 107 0.900 48.546 22.412 33.448 -99.200 -91.000 HIS 114 0.900 52.591 18.947 23.119 -99.200 -91.000 PHE 115 1.000 47.825 19.083 23.412 -99.200 -91.000 TRP 122 1.040 43.449 24.977 24.481 -99.200 -91.000 TRP6 122 1.020 43.886 22.951 25.613 -99.200 -91.000 PHE 130 1.000 28.427 27.754 46.236 -99.200 -91.000 TYR 145 0.840 34.074 34.930 40.635 -99.200 -91.000 PHE 150 1.000 43.450 25.499 39.651 -99.200 -91.000 TYR 151 0.840 37.940 32.873 44.954 -99.200 -91.000 PHE 154 1.000 46.696 32.917 40.370 -99.200 -91.000 TYR 159 0.840 40.773 30.738 39.192 -99.200 -91.000 PHE 164 1.000 39.503 32.784 29.548 -99.200 -91.000 TYR 177 0.840 34.571 28.834 22.954 -99.200 -91.000 TYR 178 0.840 33.697 30.407 33.059 -99.200 -91.000 PHE 181 1.000 28.025 22.240 37.067 -99.200 -91.000 PHE 212 1.000 25.266 29.383 28.196 -99.200 -91.000 HIS 215 0.900 26.651 17.784 31.254 -99.200 -91.000 TYR 220 0.840 14.939 22.955 36.144 -99.200 -91.000 TYR 255 0.840 18.121 16.185 40.763 -99.200 -91.000 TYR 263 0.840 10.071 6.754 31.205 -99.200 -91.000 TYR 283 0.840 19.766 15.458 22.447 -99.200 -91.000 TYR 290 0.840 24.618 27.383 19.336 -99.200 -91.000 TRP 305 1.040 30.501 14.876 28.470 -99.200 -91.000 TRP6 305 1.020 32.220 16.244 27.615 -99.200 -91.000 TRP 313 1.040 27.899 12.893 32.309 -99.200 -91.000 TRP6 313 1.020 27.755 14.204 34.271 -99.200 -91.000 TYR 315 0.840 23.641 2.684 30.163 -99.200 -91.000 HIS 317 0.900 20.208 10.496 36.118 -99.200 -91.000 TRP 323 1.040 17.501 4.230 28.234 -99.200 -91.000 TRP6 323 1.020 16.058 4.468 30.097 -99.200 -91.000 PHE 327 1.000 24.520 7.752 16.653 -99.200 -91.000 TYR 337 0.840 21.394 11.301 13.506 -99.200 -91.000