============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 3 0.840 18.084 43.234 -47.213 -99.200 -91.000 PHE 11 1.000 21.473 39.642 -42.597 -99.200 -91.000 TYR 13 0.840 15.938 33.735 -38.546 -99.200 -91.000 TYR 20 0.840 11.295 39.622 -27.302 -99.200 -91.000 TYR 40 0.840 13.482 38.513 -16.477 -99.200 -91.000 PHE 42 1.000 15.527 34.612 -10.344 -99.200 -91.000 TYR 43 0.840 7.343 35.132 -10.894 -99.200 -91.000 PHE 50 1.000 14.007 28.634 -22.196 -99.200 -91.000 PHE 63 1.000 18.848 34.811 -16.498 -99.200 -91.000 PHE 71 1.000 16.399 29.348 -17.992 -99.200 -91.000 PHE 84 1.000 27.348 37.352 -11.620 -99.200 -91.000 TRP 92 1.040 23.118 39.500 9.372 -99.200 -91.000 TRP6 92 1.020 24.754 40.990 10.161 -99.200 -91.000 TRP 97 1.040 39.058 32.089 5.571 -99.200 -91.000 TRP6 97 1.020 36.843 31.661 4.873 -99.200 -91.000 TRP 103 1.040 40.357 25.074 8.307 -99.200 -91.000 TRP6 103 1.020 38.371 25.677 7.190 -99.200 -91.000 TYR 122 0.840 30.001 28.571 6.111 -99.200 -91.000 TYR 129 0.840 22.705 25.593 14.648 -99.200 -91.000 PHE 132 1.000 32.784 26.325 12.824 -99.200 -91.000 HIS 163 0.900 29.579 24.378 -22.093 -99.200 -91.000 PHE 172 1.000 24.849 28.180 -11.445 -99.200 -91.000 PHE 174 1.000 22.350 21.113 -14.587 -99.200 -91.000 HIS 178 0.900 17.183 11.304 -16.779 -99.200 -91.000 PHE 179 1.000 21.745 10.400 -21.320 -99.200 -91.000 PHE 198 1.000 24.386 17.440 -12.833 -99.200 -91.000 TRP 205 1.040 17.714 4.656 -9.987 -99.200 -91.000 TRP6 205 1.020 19.238 4.805 -8.190 -99.200 -91.000 TYR 210 0.840 29.737 12.779 -17.621 -99.200 -91.000 TYR 218 0.840 34.203 32.311 -0.639 -99.200 -91.000 PHE 226 1.000 26.912 14.014 -9.505 -99.200 -91.000 PHE 233 1.000 26.610 -3.100 -15.859 -99.200 -91.000 PHE 242 1.000 33.756 21.251 -8.938 -99.200 -91.000 TYR 245 0.840 38.578 29.004 -1.055 -99.200 -91.000 TRP 255 1.040 23.028 14.760 -1.017 -99.200 -91.000 TRP6 255 1.020 21.638 15.611 0.691 -99.200 -91.000 TYR 267 0.840 23.996 1.869 -6.483 -99.200 -91.000 PHE 271 1.000 32.108 10.703 -7.705 -99.200 -91.000 TYR 278 0.840 42.873 25.788 2.161 -99.200 -91.000 TRP 281 1.040 30.646 19.938 7.903 -99.200 -91.000 TRP6 281 1.020 30.048 18.331 9.527 -99.200 -91.000 PHE 284 1.000 37.301 14.634 -4.306 -99.200 -91.000 TYR 302 0.840 21.202 -3.393 -5.411 -99.200 -91.000 TYR 307 0.840 24.488 -5.837 -2.711 -99.200 -91.000 HIS 310 0.900 28.274 2.338 6.482 -99.200 -91.000 HIS 316 0.900 30.161 5.940 -7.002 -99.200 -91.000 PHE 331 1.000 39.000 8.935 -1.213 -99.200 -91.000 TYR 339 0.840 39.548 -3.023 -7.624 -99.200 -91.000 TYR 354 0.840 35.151 7.263 9.280 -99.200 -91.000 HIS 358 0.900 34.247 -7.108 4.021 -99.200 -91.000 PHE 362 1.000 40.425 1.750 -0.159 -99.200 -91.000 PHE 375 1.000 38.546 19.067 14.611 -99.200 -91.000 TYR 381 0.840 37.654 3.002 10.976 -99.200 -91.000 PHE 443 1.000 72.561 9.009 4.314 -99.200 -91.000 TYR 445 0.840