============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 18 0.840 -26.207 18.974 2.826 -99.200 -91.000 PHE 27 1.000 -29.657 14.769 4.428 -99.200 -91.000 HIS 28 0.900 -37.465 15.693 3.929 -99.200 -91.000 PHE 44 1.000 -16.600 5.979 -0.388 -99.200 -91.000 HIS 51 0.900 -38.094 16.286 -4.618 -99.200 -91.000 HIS 54 0.900 -30.839 21.361 -8.138 -99.200 -91.000 PHE 56 1.000 -27.429 17.036 -2.805 -99.200 -91.000 TYR 66 0.840 -15.717 11.342 10.356 -99.200 -91.000 HIS 78 0.900 -8.892 27.586 13.505 -99.200 -91.000 TYR 88 0.840 6.425 25.181 16.100 -99.200 -91.000 PHE 96 1.000 -0.587 6.405 27.479 -99.200 -91.000 PHE 110 1.000 -5.311 18.488 13.972 -99.200 -91.000 TYR 124 0.840 -7.197 12.170 33.446 -99.200 -91.000 PHE 130 1.000 -19.155 21.460 28.424 -99.200 -91.000 TRP 135 1.040 -18.425 7.492 24.500 -99.200 -91.000 TRP6 135 1.020 -20.392 6.618 25.491 -99.200 -91.000 TRP 140 1.040 -20.715 11.566 13.306 -99.200 -91.000 TRP6 140 1.020 -19.423 13.534 12.957 -99.200 -91.000 PHE 143 1.000 -10.474 9.269 14.705 -99.200 -91.000 TYR 155 0.840 -7.044 21.872 37.673 -99.200 -91.000 HIS 165 0.900 3.796 14.227 22.548 -99.200 -91.000 HIS 179 0.900 -0.868 16.041 39.844 -99.200 -91.000 PHE 189 1.000 8.165 18.593 22.959 -99.200 -91.000 PHE 190 1.000 2.452 21.339 31.040 -99.200 -91.000 TYR 193 0.840 -6.241 27.279 23.100 -99.200 -91.000 HIS 204 0.900 6.574 30.762 30.022 -99.200 -91.000 PHE 210 1.000 7.261 21.328 39.613 -99.200 -91.000 TYR 213 0.840 11.294 18.015 38.783 -99.200 -91.000 PHE 214 1.000 8.162 19.838 32.603 -99.200 -91.000 PHE 225 1.000 -2.682 37.389 8.751 -99.200 -91.000 HIS 243 0.900 -5.257 35.525 21.641 -99.200 -91.000 TYR 246 0.840 -1.014 34.759 24.219 -99.200 -91.000 PHE 249 1.000 4.296 23.808 21.585 -99.200 -91.000