============================================================================= 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. HIS 4 0.900 -3.896 67.230 -25.725 -99.200 -91.000 PHE 7 1.000 -11.295 68.565 -15.085 -99.200 -91.000 TYR 11 0.840 -10.434 60.877 -23.817 -99.200 -91.000 PHE 19 1.000 -30.297 55.205 -21.510 -99.200 -91.000 TYR 32 0.840 -9.733 59.142 -9.422 -99.200 -91.000 PHE 52 1.000 -30.606 53.449 12.847 -99.200 -91.000 TRP 56 1.040 -13.127 58.355 10.840 -99.200 -91.000 TRP6 56 1.020 -12.245 57.268 12.741 -99.200 -91.000 TYR 73 0.840 -15.275 34.372 4.777 -99.200 -91.000 TYR 79 0.840 -7.471 33.942 -0.118 -99.200 -91.000 HIS 95 0.900 -17.362 32.907 24.878 -99.200 -91.000 PHE 97 1.000 -24.911 39.550 20.810 -99.200 -91.000 PHE 126 1.000 -35.941 31.123 15.245 -99.200 -91.000 TRP 130 1.040 -43.581 25.238 13.101 -99.200 -91.000 TRP6 130 1.020 -44.612 25.098 10.984 -99.200 -91.000 TRP 156 1.040 -37.367 40.588 11.088 -99.200 -91.000 TRP6 156 1.020 -36.977 38.360 11.758 -99.200 -91.000 PHE 159 1.000 -38.010 34.026 6.983 -99.200 -91.000 TYR 162 0.840 -38.170 38.246 -1.444 -99.200 -91.000 PHE 163 1.000 -36.118 32.428 2.465 -99.200 -91.000 TYR 176 0.840 -46.666 50.128 24.111 -99.200 -91.000 TYR 177 0.840 -44.687 56.278 18.919 -99.200 -91.000 PHE 207 1.000 -31.608 48.889 23.533 -99.200 -91.000 TRP 226 1.040 -48.722 24.891 20.491 -99.200 -91.000 TRP6 226 1.020 -50.023 26.859 20.581 -99.200 -91.000 HIS 231 0.900 -33.410 36.224 15.312 -99.200 -91.000 PHE 239 1.000 -21.109 44.544 17.578 -99.200 -91.000 PHE 243 1.000 -19.560 46.615 23.949 -99.200 -91.000 TYR 245 0.840 -28.217 51.253 28.072 -99.200 -91.000 TRP 250 1.040 -29.508 42.337 25.470 -99.200 -91.000 TRP6 250 1.020 -28.861 41.482 23.370 -99.200 -91.000 PHE 252 1.000 -27.795 33.464 22.230 -99.200 -91.000 HIS 265 0.900 -23.750 46.624 7.740 -99.200 -91.000 TYR 266 0.840 -24.992 52.686 17.070 -99.200 -91.000 TYR 270 0.840 -14.908 52.407 6.469 -99.200 -91.000 TRP 275 1.040 -20.574 39.827 12.869 -99.200 -91.000 TRP6 275 1.020 -18.922 38.280 12.203 -99.200 -91.000 TRP 278 1.040 -28.984 29.787 14.712 -99.200 -91.000 TRP6 278 1.020 -27.647 30.378 12.860 -99.200 -91.000 PHE 290 1.000 -26.409 23.083 0.634 -99.200 -91.000 HIS 291 0.900 -20.633 19.754 5.526 -99.200 -91.000 TYR 294 0.840 -16.172 25.018 -6.953 -99.200 -91.000 PHE 302 1.000 -27.852 28.456 7.513 -99.200 -91.000 PHE 306 1.000 -19.163 29.877 -3.499 -99.200 -91.000 TYR 317 0.840 -9.335 38.882 15.343 -99.200 -91.000 TYR 318 0.840 -7.848 47.890 13.705 -99.200 -91.000 HIS 325 0.900 -16.384 43.534 27.192 -99.200 -91.000 TYR 328 0.840 -16.755 47.694 19.798 -99.200 -91.000 PHE 352 1.000 -38.383 70.692 16.914 -99.200 -91.000 PHE 366 1.000 -36.251 66.165 16.115 -99.200 -91.000 HIS 374 0.900 -44.105 76.612 8.376 -99.200 -91.000 PHE 377 1.000 -43.024 64.097 5.529 -99.200 -91.000 TYR 386 0.840 -28.662 75.789 6.890 -99.200 -91.000 TRP 388 1.040 -26.598 70.018 9.471 -99.200 -91.000 TRP6 388 1.020 -24.928 68.796 10.604 -99.200 -91.000 TYR 393 0.840 -38.997 57.927 10.532 -99.200 -91.000 HIS 401 0.900 -52.252 59.118 14.686 -99.200 -91.000 PHE 413 1.000 -23.654 64.367 15.331 -99.200 -91.000