============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 14 0.840 19.150 -6.162 35.200 -99.200 -91.000 TYR 15 0.840 20.580 -8.899 27.042 -99.200 -91.000 PHE 38 1.000 21.485 3.213 19.927 -99.200 -91.000 HIS 45 0.900 35.891 -7.292 21.623 -99.200 -91.000 PHE 47 1.000 35.826 -11.077 25.539 -99.200 -91.000 HIS 49 0.900 27.820 -14.272 21.485 -99.200 -91.000 TYR 51 0.840 30.523 -7.118 12.767 -99.200 -91.000 TYR 52 0.840 24.922 0.149 12.436 -99.200 -91.000 TYR 60 0.840 26.522 4.891 8.439 -99.200 -91.000 TYR 68 0.840 38.517 7.956 24.992 -99.200 -91.000 TYR 71 0.840 30.790 4.015 28.994 -99.200 -91.000 TRP 76 1.040 32.059 3.113 23.824 -99.200 -91.000 TRP6 76 1.020 31.423 4.831 22.331 -99.200 -91.000 HIS 89 0.900 9.715 -8.413 22.445 -99.200 -91.000 PHE 108 1.000 31.162 -0.820 26.080 -99.200 -91.000 PHE 109 1.000 31.710 -4.262 22.609 -99.200 -91.000 TRP 115 1.040 25.876 -6.333 27.620 -99.200 -91.000 TRP6 115 1.020 27.669 -4.863 27.169 -99.200 -91.000 TYR 123 0.840 18.017 14.641 31.933 -99.200 -91.000 PHE 136 1.000 16.273 5.474 21.372 -99.200 -91.000 PHE 137 1.000 12.779 8.538 26.997 -99.200 -91.000 HIS 145 0.900 1.719 12.183 18.540 -99.200 -91.000 PHE 150 1.000 14.162 6.141 31.354 -99.200 -91.000 HIS 168 0.900 -0.460 2.545 38.365 -99.200 -91.000 TYR 171 0.840 3.702 1.226 41.550 -99.200 -91.000 TRP 176 1.040 7.164 7.165 49.648 -99.200 -91.000 TRP6 176 1.020 6.689 9.054 50.980 -99.200 -91.000 TYR 177 0.840 7.062 10.330 41.731 -99.200 -91.000 TRP 184 1.040 24.790 16.429 36.106 -99.200 -91.000 TRP6 184 1.020 27.121 16.553 36.446 -99.200 -91.000 TYR 185 0.840 26.983 11.800 35.297 -99.200 -91.000 TYR 186 0.840 17.938 10.072 34.225 -99.200 -91.000 TYR 207 0.840 25.552 10.748 54.368 -99.200 -91.000 TYR 209 0.840 34.227 14.909 47.103 -99.200 -91.000 PHE 228 1.000 34.352 1.047 50.772 -99.200 -91.000 PHE 244 1.000 32.474 -12.298 56.734 -99.200 -91.000 PHE 248 1.000 32.849 -9.910 51.954 -99.200 -91.000 TRP 249 1.040 35.138 -6.634 55.313 -99.200 -91.000 TRP6 249 1.020 32.791 -6.521 55.542 -99.200 -91.000 TRP 257 1.040 28.877 -18.175 54.887 -99.200 -91.000 TRP6 257 1.020 28.695 -16.072 53.829 -99.200 -91.000 TRP 264 1.040 20.570 -14.862 53.152 -99.200 -91.000 TRP6 264 1.020 21.885 -13.743 51.542 -99.200 -91.000 PHE 267 1.000 27.024 -10.432 55.942 -99.200 -91.000 TYR 273 0.840 16.483 7.768 56.460 -99.200 -91.000 PHE 283 1.000 11.947 8.897 48.564 -99.200 -91.000 TYR 292 0.840 24.688 -5.385 52.286 -99.200 -91.000 TYR 307 0.840 26.132 -15.095 48.607 -99.200 -91.000 PHE 309 1.000 30.822 -4.820 51.176 -99.200 -91.000 PHE 328 1.000 14.246 -0.666 46.548 -99.200 -91.000 TYR 329 0.840 7.754 0.615 37.962 -99.200 -91.000 PHE 332 1.000 15.656 6.221 35.930 -99.200 -91.000 PHE 341 1.000 14.527 5.639 43.863 -99.200 -91.000 HIS 347 0.900 8.606 -8.515 47.234 -99.200 -91.000 HIS 349 0.900