============================================================================= 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 3 0.840 -25.593 5.178 0.536 -99.200 -91.000 TYR 5 0.840 -31.798 0.166 3.751 -99.200 -91.000 TRP 6 1.040 -32.421 10.784 2.968 -99.200 -91.000 TRP6 6 1.020 -30.598 11.597 4.266 -99.200 -91.000 TYR 21 0.840 -51.052 15.869 17.268 -99.200 -91.000 HIS 22 0.900 -53.273 11.299 16.068 -99.200 -91.000 PHE 23 1.000 -53.685 6.974 21.251 -99.200 -91.000 HIS 43 0.900 -31.668 -7.043 12.958 -99.200 -91.000 PHE 49 1.000 -19.407 -1.959 11.206 -99.200 -91.000 HIS 54 0.900 -20.408 8.352 3.063 -99.200 -91.000 HIS 63 0.900 -37.684 15.773 13.574 -99.200 -91.000 PHE 71 1.000 -41.114 2.126 17.563 -99.200 -91.000 TYR 72 0.840 -33.536 -0.396 20.399 -99.200 -91.000 TRP 94 1.040 -37.768 -20.438 35.275 -99.200 -91.000 TRP6 94 1.020 -35.770 -19.347 34.512 -99.200 -91.000 PHE 100 1.000 -38.063 -9.221 26.707 -99.200 -91.000 TYR 101 0.840 -39.744 -9.309 18.917 -99.200 -91.000 PHE 102 1.000 -36.417 -6.711 21.681 -99.200 -91.000 TYR 103 0.840 -35.280 -16.630 26.997 -99.200 -91.000 TYR 106 0.840 -31.877 -9.547 26.688 -99.200 -91.000 PHE 119 1.000 -19.286 -13.330 31.232 -99.200 -91.000 PHE 127 1.000 -26.791 -5.727 32.777 -99.200 -91.000 HIS 142 0.900 -31.880 -20.860 34.664 -99.200 -91.000 TYR 144 0.840 -23.483 -17.855 30.289 -99.200 -91.000 PHE 188 1.000 -16.805 -4.438 40.341 -99.200 -91.000 PHE 204 1.000 -17.954 3.151 29.551 -99.200 -91.000 HIS 208 0.900 -9.797 5.755 34.473 -99.200 -91.000 TYR 210 0.840 -15.925 5.056 42.622 -99.200 -91.000 TYR 219 0.840 -18.009 -0.320 25.644 -99.200 -91.000 TYR 222 0.840 -27.543 -0.354 20.372 -99.200 -91.000 TYR 230 0.840 -29.323 3.929 23.507 -99.200 -91.000 PHE 241 1.000 -12.410 2.570 31.413 -99.200 -91.000 PHE 261 1.000 -8.899 -6.516 30.666 -99.200 -91.000