============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 21 1.000 -27.996 -9.677 -20.392 -99.200 -91.000 HIS 23 0.900 -22.094 -18.567 -13.786 -99.200 -91.000 HIS 25 0.900 -22.015 -14.076 -10.048 -99.200 -91.000 PHE 38 1.000 -18.389 -22.868 -14.926 -99.200 -91.000 HIS 57 0.900 -16.629 -18.777 -43.453 -99.200 -91.000 PHE 61 1.000 -13.887 -21.314 -26.471 -99.200 -91.000 HIS 73 0.900 -17.321 -17.584 -4.927 -99.200 -91.000 TYR 77 0.840 -10.075 -28.750 -6.684 -99.200 -91.000 HIS 92 0.900 -11.837 -25.267 -33.071 -99.200 -91.000 PHE 96 1.000 -10.474 -22.795 -18.536 -99.200 -91.000 HIS 97 0.900 -4.177 -16.019 -20.699 -99.200 -91.000 PHE 121 1.000 -8.859 -23.843 -14.196 -99.200 -91.000 PHE 129 1.000 -6.814 -15.319 -13.302 -99.200 -91.000 TYR 131 0.840 -13.140 -18.798 -21.945 -99.200 -91.000 HIS 132 0.900 -5.580 -17.975 -25.804 -99.200 -91.000 TRP 141 1.040 -7.509 -18.178 -39.099 -99.200 -91.000 TRP6 141 1.020 -8.198 -20.372 -39.612 -99.200 -91.000 HIS 142 0.900 -8.243 -22.508 -34.473 -99.200 -91.000 HIS 160 0.900 -13.491 -7.606 1.486 -99.200 -91.000 TYR 169 0.840 -20.549 -8.163 -8.531 -99.200 -91.000 TYR 173 0.840 -24.774 -5.107 -17.830 -99.200 -91.000 TYR 174 0.840 -16.597 -11.419 -20.858 -99.200 -91.000 PHE 180 1.000 -14.271 -10.439 -35.391 -99.200 -91.000 TYR 181 0.840 -6.261 -8.434 -36.776 -99.200 -91.000 TYR 190 0.840 -14.285 -4.753 -44.636 -99.200 -91.000 TYR 193 0.840 -11.985 -15.066 -48.076 -99.200 -91.000 TYR 200 0.840 -3.905 -19.975 -42.335 -99.200 -91.000 HIS 214 0.900 -14.798 -4.936 -39.539 -99.200 -91.000 PHE 217 1.000 -16.305 -2.353 -26.518 -99.200 -91.000 HIS 242 0.900 -13.223 -3.913 -22.241 -99.200 -91.000 HIS 252 0.900 -13.402 7.928 -20.478 -99.200 -91.000 HIS 257 0.900 -15.246 10.067 -13.105 -99.200 -91.000 TYR 260 0.840 -13.594 1.475 -4.860 -99.200 -91.000 TRP 262 1.040 -9.589 -5.180 -8.102 -99.200 -91.000 TRP6 262 1.020 -11.879 -4.569 -7.923 -99.200 -91.000 PHE 267 1.000 -11.219 -9.812 -8.617 -99.200 -91.000 TRP 278 1.040 -10.803 0.450 -16.908 -99.200 -91.000 TRP6 278 1.020 -12.438 2.130 -16.586 -99.200 -91.000 PHE 279 1.000 -2.624 -0.495 -21.938 -99.200 -91.000 PHE 289 1.000 -18.217 -1.792 -6.833 -99.200 -91.000 TYR 290 0.840 -19.410 5.426 -12.160 -99.200 -91.000 PHE 292 1.000 -23.668 3.639 -14.294 -99.200 -91.000 TYR 298 0.840 -23.582 7.371 -17.441 -99.200 -91.000 TYR 300 0.840 -16.946 -0.133 -20.948 -99.200 -91.000 HIS 303 0.900 -11.070 8.567 -24.773 -99.200 -91.000 HIS 315 0.900 -24.842 4.025 -27.119 -99.200 -91.000 PHE 316 1.000 -22.979 0.367 -18.662 -99.200 -91.000 TRP 322 1.040 -28.842 16.663 -13.959 -99.200 -91.000 TRP6 322 1.020 -27.350 15.554 -15.430 -99.200 -91.000