============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TYR 6 0.840 34.223 -15.360 6.017 -99.200 -91.000 PHE 12 1.000 30.818 -11.111 8.858 -99.200 -91.000 TRP 18 1.040 31.663 -6.510 16.118 -99.200 -91.000 TRP6 18 1.020 29.392 -7.121 16.066 -99.200 -91.000 TRP 31 1.040 35.459 -21.345 13.199 -99.200 -91.000 TRP6 31 1.020 34.550 -23.404 13.935 -99.200 -91.000 PHE 40 1.000 19.659 -20.413 4.858 -99.200 -91.000 TYR 43 0.840 11.636 -30.047 7.285 -99.200 -91.000 PHE 51 1.000 16.881 -32.198 4.343 -99.200 -91.000 PHE 67 1.000 9.276 -19.475 -0.116 -99.200 -91.000 PHE 75 1.000 14.071 -17.964 6.746 -99.200 -91.000 HIS 78 0.900 21.140 -25.217 15.581 -99.200 -91.000 PHE 80 1.000 22.593 -27.225 25.299 -99.200 -91.000 TRP 88 1.040 14.413 -27.551 19.372 -99.200 -91.000 TRP6 88 1.020 13.665 -25.411 18.666 -99.200 -91.000 PHE 97 1.000 4.405 -27.894 7.791 -99.200 -91.000 TRP 109 1.040 23.187 -22.000 13.934 -99.200 -91.000 TRP6 109 1.020 24.785 -21.086 15.439 -99.200 -91.000 TYR 117 0.840 28.598 -19.208 24.731 -99.200 -91.000 TYR 142 0.840 12.630 -16.882 -6.389 -99.200 -91.000 TYR 144 0.840 7.735 -14.689 0.704 -99.200 -91.000 HIS 150 0.900 7.566 -15.701 14.038 -99.200 -91.000 HIS 154 0.900 16.269 -22.981 22.547 -99.200 -91.000 HIS 159 0.900 21.501 -13.164 21.701 -99.200 -91.000 PHE 184 1.000 25.486 -13.286 21.701 -99.200 -91.000 PHE 200 1.000 5.072 -8.736 18.524 -99.200 -91.000 HIS 205 0.900 13.573 -12.816 29.077 -99.200 -91.000 PHE 214 1.000 22.011 -17.680 41.830 -99.200 -91.000 PHE 217 1.000 24.021 -22.566 28.794 -99.200 -91.000 HIS 225 0.900 9.059 -4.177 19.312 -99.200 -91.000 PHE 228 1.000 4.887 -12.531 26.196 -99.200 -91.000 PHE 229 1.000 11.078 -11.388 32.222 -99.200 -91.000 TRP 254 1.040 27.775 -24.204 22.498 -99.200 -91.000 TRP6 254 1.020 25.696 -23.225 23.019 -99.200 -91.000 PHE 260 1.000 22.706 -25.976 31.051 -99.200 -91.000 HIS 265 0.900 18.941 -22.129 26.869 -99.200 -91.000 TYR 269 0.840 12.974 -26.628 22.624 -99.200 -91.000 TYR 271 0.840 6.817 -22.935 29.481 -99.200 -91.000 TYR 272 0.840 6.334 -19.990 19.111 -99.200 -91.000 PHE 282 1.000 0.881 -21.709 27.069 -99.200 -91.000 TYR 285 0.840 -3.120 -12.179 33.821 -99.200 -91.000 TYR 290 0.840 6.674 -15.427 39.469 -99.200 -91.000 PHE 293 1.000 1.223 -13.319 37.703 -99.200 -91.000 PHE 299 1.000 -6.986 -12.151 37.757 -99.200 -91.000 HIS 311 0.900 1.956 -19.345 15.808 -99.200 -91.000 TYR 312 0.840 -2.263 -18.556 18.031 -99.200 -91.000 PHE 316 1.000 -1.075 -6.634 24.117 -99.200 -91.000 PHE 324 1.000 3.068 -7.824 28.486 -99.200 -91.000 PHE 325 1.000 6.886 -10.599 35.591 -99.200 -91.000 PHE 334 1.000 4.831 -27.734 29.399 -99.200 -91.000 TRP 337 1.040 -7.628 -20.577 30.103 -99.200 -91.000 TRP6 337 1.020 -6.712 -22.623 29.327 -99.200 -91.000 TYR 339 0.840 -10.762 -19.490 36.257 -99.200 -91.000 PHE 359 1.000 -18.134 -27.848 40.220 -99.200 -91.000 HIS 366 0.900 -8.128 -31.201 39.532 -99.200 -91.000 TYR 368 0.840 -6.926 -24.729 41.469 -99.200 -91.000 PHE 371 1.000 -6.706 -16.893 55.918 -99.200 -91.000 HIS 381 0.900 -9.664 -14.655 55.064 -99.200 -91.000 TYR 383 0.840 -4.058 -17.701 46.590 -99.200 -91.000 PHE 385 1.000 -8.637 -20.536 41.551 -99.200 -91.000 PHE 399 1.000 -16.348 -22.170 52.290 -99.200 -91.000 TRP 401 1.040 -15.267 -25.704 57.348 -99.200 -91.000 TRP6 401 1.020 -14.265 -26.128 59.449 -99.200 -91.000 TYR 429 0.840 -19.036 -15.275 35.607 -99.200 -91.000 PHE 431 1.000 -21.038 -17.991 41.117 -99.200 -91.000