============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 3 1.000 -8.145 7.584 -6.796 -99.200 -91.000 PHE 8 1.000 -2.433 -4.623 -9.161 -99.200 -91.000 TRP 31 1.040 12.513 -21.173 -6.384 -99.200 -91.000 TRP6 31 1.020 11.767 -22.335 -4.457 -99.200 -91.000 TYR 37 0.840 14.548 -15.077 -13.291 -99.200 -91.000 HIS 41 0.900 24.019 -4.994 -6.626 -99.200 -91.000 TYR 54 0.840 28.891 -6.491 -12.180 -99.200 -91.000 HIS 64 0.900 31.447 -25.291 -5.208 -99.200 -91.000 PHE 66 1.000 26.523 -17.424 -7.541 -99.200 -91.000 HIS 80 0.900 27.497 -20.075 -12.287 -99.200 -91.000 TYR 101 0.840 6.872 -16.473 -14.481 -99.200 -91.000 PHE 103 1.000 10.546 -12.667 -15.658 -99.200 -91.000 PHE 112 1.000 7.176 -0.186 -10.377 -99.200 -91.000 TYR 118 0.840 14.654 -4.436 3.882 -99.200 -91.000 TYR 126 0.840 7.304 0.926 -1.328 -99.200 -91.000 HIS 134 0.900 13.797 6.413 -18.291 -99.200 -91.000 PHE 140 1.000 13.198 -0.124 -2.806 -99.200 -91.000 PHE 150 1.000 3.575 -7.175 -6.794 -99.200 -91.000 TYR 154 0.840 -8.340 -10.514 -16.076 -99.200 -91.000 PHE 159 1.000 7.092 -11.531 -10.618 -99.200 -91.000 TYR 161 0.840 12.594 -1.223 -9.511 -99.200 -91.000 HIS 163 0.900 16.165 -0.680 -4.924 -99.200 -91.000 HIS 164 0.900 19.906 -4.316 -10.135 -99.200 -91.000 HIS 172 0.900 14.771 4.373 -3.329 -99.200 -91.000 PHE 181 1.000 20.655 -0.618 -13.392 -99.200 -91.000 TYR 182 0.840 12.285 -0.422 -15.921 -99.200 -91.000 PHE 185 1.000 19.705 6.295 -13.403 -99.200 -91.000 TRP 207 1.040 -5.641 12.788 -7.961 -99.200 -91.000 TRP6 207 1.020 -5.396 15.129 -7.824 -99.200 -91.000 TYR 209 0.840 -11.466 13.192 -17.223 -99.200 -91.000 TRP 218 1.040 -12.521 22.104 -5.886 -99.200 -91.000 TRP6 218 1.020 -10.795 23.674 -6.385 -99.200 -91.000 PHE 219 1.000 -11.566 19.412 -10.192 -99.200 -91.000 PHE 223 1.000 -12.788 30.533 -19.438 -99.200 -91.000 PHE 230 1.000 -2.226 20.966 -20.750 -99.200 -91.000 TYR 237 0.840 2.528 27.152 -14.429 -99.200 -91.000 TYR 239 0.840 1.837 19.658 -14.663 -99.200 -91.000 HIS 246 0.900 0.466 11.253 -23.199 -99.200 -91.000 PHE 291 1.000 -3.657 7.787 -7.116 -99.200 -91.000 PHE 294 1.000 -5.283 -1.199 -14.868 -99.200 -91.000 PHE 305 1.000 -22.688 11.682 -4.929 -99.200 -91.000