============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 72 rings ring int. center anis. iso. TYR 5 0.840 -29.285 -20.396 45.070 -99.200 -91.000 PHE 28 1.000 3.894 -27.889 34.740 -99.200 -91.000 PHE 42 1.000 3.667 -24.747 39.371 -99.200 -91.000 PHE 45 1.000 5.486 -25.037 45.582 -99.200 -91.000 HIS 49 0.900 7.553 -23.243 48.780 -99.200 -91.000 HIS 52 0.900 11.081 -23.945 43.000 -99.200 -91.000 TRP 59 1.040 4.751 -19.171 33.317 -99.200 -91.000 TRP6 59 1.020 3.762 -20.473 35.015 -99.200 -91.000 TYR 65 0.840 8.367 -9.838 23.963 -99.200 -91.000 TYR 84 0.840 13.931 -12.799 34.550 -99.200 -91.000 PHE 92 1.000 22.591 -17.178 34.089 -99.200 -91.000 PHE 95 1.000 15.035 -22.224 35.159 -99.200 -91.000 PHE 110 1.000 12.289 -12.754 25.041 -99.200 -91.000 HIS 120 0.900 13.412 -25.435 36.543 -99.200 -91.000 PHE 126 1.000 3.006 -31.468 38.516 -99.200 -91.000 PHE 129 1.000 0.608 -27.220 42.989 -99.200 -91.000 TYR 134 0.840 0.662 -22.363 48.566 -99.200 -91.000 PHE 135 1.000 -2.399 -32.155 44.558 -99.200 -91.000 PHE 138 1.000 -6.401 -28.244 40.953 -99.200 -91.000 TRP 141 1.040 -10.284 -22.928 45.481 -99.200 -91.000 TRP6 141 1.020 -12.154 -21.522 45.281 -99.200 -91.000 TRP 143 1.040 -16.135 -31.878 47.743 -99.200 -91.000 TRP6 143 1.020 -17.574 -30.242 48.647 -99.200 -91.000 TRP 153 1.040 -26.682 -23.431 42.459 -99.200 -91.000 TRP6 153 1.020 -24.774 -22.696 43.648 -99.200 -91.000 PHE 154 1.000 -26.616 -21.200 36.220 -99.200 -91.000 PHE 157 1.000 -30.785 -10.778 32.682 -99.200 -91.000 PHE 165 1.000 -34.628 -29.555 18.617 -99.200 -91.000 PHE 169 1.000 -35.526 -17.800 28.477 -99.200 -91.000 TYR 180 0.840 -21.859 -17.869 32.794 -99.200 -91.000 TYR 196 0.840 -33.267 -37.886 23.037 -99.200 -91.000 HIS 210 0.900 -11.542 -21.551 27.781 -99.200 -91.000 PHE 213 1.000 -10.331 -15.401 18.019 -99.200 -91.000 TYR 219 0.840 -22.136 -22.954 35.701 -99.200 -91.000 PHE 221 1.000 -29.076 -25.661 34.335 -99.200 -91.000 TYR 241 0.840 -30.389 -6.830 13.683 -99.200 -91.000 HIS 242 0.900 -24.611 -6.112 14.124 -99.200 -91.000 TYR 244 0.840 -28.481 -9.782 4.337 -99.200 -91.000 PHE 253 1.000 -20.789 -6.715 8.355 -99.200 -91.000 PHE 260 1.000 -11.689 -7.353 14.563 -99.200 -91.000 TYR 261 0.840 -17.328 -8.454 12.263 -99.200 -91.000 HIS 271 0.900 -9.106 -23.887 20.203 -99.200 -91.000 HIS 273 0.900 -10.823 -26.466 10.432 -99.200 -91.000 TYR 279 0.840 -19.196 -23.895 12.717 -99.200 -91.000 TYR 316 0.840 -26.825 -33.306 1.688 -99.200 -91.000 PHE 322 1.000 -23.691 -20.036 3.998 -99.200 -91.000 TYR 333 0.840 -17.405 -34.197 4.629 -99.200 -91.000 PHE 335 1.000 -9.413 -30.908 9.967 -99.200 -91.000 TYR 339 0.840 -10.076 -23.613 6.350 -99.200 -91.000 PHE 340 1.000 -17.729 -23.940 -1.502 -99.200 -91.000 TYR 347 0.840 -19.950 -13.326 -3.553 -99.200 -91.000 PHE 356 1.000 -22.190 -20.929 -4.945 -99.200 -91.000 TYR 379 0.840 -15.290 -13.530 -6.670 -99.200 -91.000 PHE 383 1.000 -16.781 -9.482 -3.197 -99.200 -91.000 PHE 390 1.000