============================================================================= 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 4 1.000 -29.212 -19.906 14.571 -99.200 -91.000 PHE 28 1.000 -36.891 -23.072 30.892 -99.200 -91.000 PHE 30 1.000 -33.583 -26.620 34.989 -99.200 -91.000 TYR 37 0.840 -33.391 -20.142 34.463 -99.200 -91.000 PHE 53 1.000 -14.833 -16.419 39.016 -99.200 -91.000 PHE 62 1.000 -28.166 -5.836 31.779 -99.200 -91.000 PHE 65 1.000 -26.799 -20.650 34.315 -99.200 -91.000 HIS 69 0.900 -12.234 -19.219 32.750 -99.200 -91.000 HIS 71 0.900 -8.513 -23.826 31.491 -99.200 -91.000 TYR 72 0.840 -12.001 -17.575 36.544 -99.200 -91.000 TRP 77 1.040 -14.467 -21.428 40.459 -99.200 -91.000 TRP6 77 1.020 -16.777 -21.288 39.928 -99.200 -91.000 PHE 80 1.000 -18.039 -14.405 40.928 -99.200 -91.000 HIS 90 0.900 -30.366 -17.500 37.379 -99.200 -91.000 PHE 102 1.000 -16.269 -36.228 39.354 -99.200 -91.000 TYR 117 0.840 -28.651 -24.029 37.338 -99.200 -91.000 TYR 126 0.840 -23.895 -37.471 18.370 -99.200 -91.000 HIS 129 0.900 -15.072 -42.004 28.825 -99.200 -91.000 PHE 130 1.000 -20.896 -36.008 27.755 -99.200 -91.000 PHE 133 1.000 -17.796 -37.078 33.459 -99.200 -91.000 PHE 141 1.000 -21.124 -33.392 42.549 -99.200 -91.000 HIS 144 0.900 -24.822 -29.740 42.869 -99.200 -91.000 TYR 188 0.840 -28.287 -32.478 11.922 -99.200 -91.000 HIS 202 0.900 -38.770 -28.408 24.376 -99.200 -91.000 HIS 207 0.900 -36.318 -27.892 30.733 -99.200 -91.000 PHE 224 1.000 -34.032 -17.615 23.652 -99.200 -91.000 PHE 230 1.000 -31.624 -22.613 30.082 -99.200 -91.000 HIS 240 0.900 -18.714 -7.283 24.591 -99.200 -91.000 TYR 255 0.840 -7.449 -5.030 15.736 -99.200 -91.000 PHE 258 1.000 -14.411 -15.960 20.715 -99.200 -91.000 TYR 259 0.840 -7.850 -18.188 23.320 -99.200 -91.000 TYR 270 0.840 -5.889 -22.561 29.412 -99.200 -91.000 PHE 281 1.000 -12.242 -2.667 24.486 -99.200 -91.000 HIS 287 0.900 -24.181 -0.446 23.171 -99.200 -91.000 TYR 302 0.840 -41.212 -6.242 14.056 -99.200 -91.000 PHE 317 1.000 -37.998 -20.391 12.460 -99.200 -91.000