============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 9 0.840 20.540 -3.978 -29.644 -99.200 -91.000 HIS 11 0.900 24.663 -6.568 -25.038 -99.200 -91.000 PHE 17 1.000 25.246 -14.783 -30.133 -99.200 -91.000 TYR 42 0.840 20.837 -1.144 -21.928 -99.200 -91.000 PHE 46 1.000 11.635 3.501 -23.138 -99.200 -91.000 PHE 65 1.000 0.841 8.714 -10.657 -99.200 -91.000 TYR 67 0.840 2.590 4.516 -15.038 -99.200 -91.000 HIS 72 0.900 -8.290 3.422 -19.507 -99.200 -91.000 TYR 75 0.840 -3.878 5.390 -26.220 -99.200 -91.000 PHE 99 1.000 9.124 -7.163 -27.599 -99.200 -91.000 PHE 101 1.000 14.657 -10.606 -24.060 -99.200 -91.000 TYR 104 0.840 20.734 -7.999 -18.063 -99.200 -91.000 TRP 105 1.040 18.894 -11.017 -11.736 -99.200 -91.000 TRP6 105 1.020 19.937 -12.832 -10.599 -99.200 -91.000 PHE 106 1.000 15.451 -18.634 -14.420 -99.200 -91.000 TRP 115 1.040 9.558 -0.291 -25.746 -99.200 -91.000 TRP6 115 1.020 7.904 -1.840 -26.478 -99.200 -91.000 PHE 124 1.000 -0.308 1.241 -28.498 -99.200 -91.000 PHE 126 1.000 -4.092 -3.373 -20.547 -99.200 -91.000 PHE 131 1.000 -8.569 -9.535 -20.070 -99.200 -91.000 TYR 132 0.840 -4.576 -13.573 -21.180 -99.200 -91.000 TYR 155 0.840 18.085 -21.385 -18.947 -99.200 -91.000 TYR 166 0.840 9.292 -25.369 -16.499 -99.200 -91.000 PHE 167 1.000 13.834 -18.535 -20.151 -99.200 -91.000 TRP 169 1.040 2.812 -18.125 -17.460 -99.200 -91.000 TRP6 169 1.020 1.167 -19.059 -18.879 -99.200 -91.000 HIS 173 0.900 -1.144 -16.670 -21.115 -99.200 -91.000 HIS 177 0.900 -2.736 -15.529 -25.604 -99.200 -91.000 PHE 178 1.000 -3.871 -8.700 -20.029 -99.200 -91.000 PHE 181 1.000 2.297 -7.681 -29.839 -99.200 -91.000 PHE 190 1.000 18.986 -22.527 -24.905 -99.200 -91.000 TRP 207 1.040 17.831 -13.645 -35.471 -99.200 -91.000 TRP6 207 1.020 15.532 -14.101 -35.132 -99.200 -91.000 TRP 215 1.040 7.772 -11.757 -43.462 -99.200 -91.000 TRP6 215 1.020 6.766 -10.365 -41.820 -99.200 -91.000 HIS 225 0.900 -0.030 -29.508 -23.506 -99.200 -91.000 TRP 226 1.040 4.333 -24.069 -26.982 -99.200 -91.000 TRP6 226 1.020 6.007 -22.567 -26.191 -99.200 -91.000 HIS 227 0.900 4.202 -20.530 -22.410 -99.200 -91.000 PHE 228 1.000 4.144 -22.875 -17.172 -99.200 -91.000