============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 22.862 0.749 1.519 -99.200 -91.000 TRP6 9 1.020 22.584 -0.864 3.189 -99.200 -91.000 TYR 10 0.840 25.509 -3.374 -4.709 -99.200 -91.000 PHE 17 1.000 19.723 3.775 -1.209 -99.200 -91.000 TYR 31 0.840 17.015 3.188 -6.583 -99.200 -91.000 TYR 42 0.840 16.618 8.064 -13.355 -99.200 -91.000 TYR 48 0.840 19.924 9.624 9.261 -99.200 -91.000 TRP 63 1.040 15.346 6.026 -1.496 -99.200 -91.000 TRP6 63 1.020 15.596 4.256 0.061 -99.200 -91.000 TRP 67 1.040 11.224 6.660 -11.057 -99.200 -91.000 TRP6 67 1.020 13.175 5.426 -10.654 -99.200 -91.000 TYR 71 0.840 21.949 10.283 -20.362 -99.200 -91.000 HIS 75 0.900 6.614 12.404 -18.722 -99.200 -91.000 TRP 80 1.040 12.476 2.374 -2.861 -99.200 -91.000 TRP6 80 1.020 12.891 3.917 -4.584 -99.200 -91.000 TYR 84 0.840 21.378 0.553 9.046 -99.200 -91.000 TRP 96 1.040 8.949 -0.619 -4.482 -99.200 -91.000 TRP6 96 1.020 7.473 -0.549 -6.300 -99.200 -91.000 TRP 108 1.040 -9.206 4.402 -12.075 -99.200 -91.000 TRP6 108 1.020 -8.840 2.092 -11.892 -99.200 -91.000 HIS 115 0.900 7.760 -7.231 -1.694 -99.200 -91.000 PHE 118 1.000 17.035 -0.860 -1.766 -99.200 -91.000