============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 5 1.000 -28.864 11.391 1.172 -99.200 -91.000 HIS 16 0.900 -33.443 0.388 -2.520 -99.200 -91.000 TYR 18 0.840 -25.635 5.239 -1.401 -99.200 -91.000 PHE 21 1.000 -25.211 14.628 -6.763 -99.200 -91.000 PHE 24 1.000 -14.104 15.795 -4.084 -99.200 -91.000 TYR 29 0.840 -15.632 16.422 -10.560 -99.200 -91.000 TYR 35 0.840 -30.396 1.747 0.153 -99.200 -91.000 PHE 45 1.000 -23.080 -4.404 -1.314 -99.200 -91.000 TRP 49 1.040 -16.355 11.629 -3.313 -99.200 -91.000 TRP6 49 1.020 -16.617 11.962 -5.647 -99.200 -91.000 TYR 54 0.840 -19.282 8.561 6.041 -99.200 -91.000 HIS 65 0.900 -35.542 0.802 2.366 -99.200 -91.000 PHE 73 1.000 -19.803 -6.787 2.434 -99.200 -91.000 HIS 76 0.900 -11.770 2.232 -5.457 -99.200 -91.000 HIS 78 0.900 -8.790 5.911 -4.782 -99.200 -91.000 PHE 87 1.000 -21.273 7.637 10.841 -99.200 -91.000 PHE 88 1.000 -20.797 3.758 7.913 -99.200 -91.000 TYR 96 0.840 -18.507 -7.730 6.256 -99.200 -91.000 PHE 104 1.000 -3.460 0.012 -2.180 -99.200 -91.000 TYR 123 0.840 -18.830 -11.917 2.109 -99.200 -91.000 PHE 130 1.000 -23.294 -9.160 -0.323 -99.200 -91.000 PHE 134 1.000 -7.822 -8.114 -7.659 -99.200 -91.000 HIS 139 0.900 -10.307 4.183 -9.587 -99.200 -91.000 TRP 147 1.040 -23.193 -12.199 -10.111 -99.200 -91.000 TRP6 147 1.020 -24.300 -11.120 -11.904 -99.200 -91.000 PHE 148 1.000 -25.299 -6.452 -5.365 -99.200 -91.000 TYR 151 0.840 -31.695 -8.122 -6.041 -99.200 -91.000 TYR 170 0.840 -6.232 9.901 -8.022 -99.200 -91.000 TRP 179 1.040 -9.323 0.260 -16.004 -99.200 -91.000 TRP6 179 1.020 -9.099 2.511 -15.312 -99.200 -91.000 TYR 190 0.840 -19.105 -10.544 -13.135 -99.200 -91.000 HIS 200 0.900 -16.306 8.515 -9.335 -99.200 -91.000 TRP 203 1.040 -27.768 5.243 -12.207 -99.200 -91.000 TRP6 203 1.020 -29.543 3.815 -12.843 -99.200 -91.000 HIS 208 0.900 -22.590 2.721 -17.953 -99.200 -91.000 HIS 211 0.900 -17.159 6.346 -23.444 -99.200 -91.000