============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 17 1.000 -2.556 -17.785 4.424 -99.200 -91.000 TYR 30 0.840 0.893 -16.395 13.597 -99.200 -91.000 PHE 33 1.000 0.295 -9.387 13.784 -99.200 -91.000 HIS 37 0.900 -7.898 -12.500 19.773 -99.200 -91.000 PHE 40 1.000 -6.766 -4.524 23.049 -99.200 -91.000 HIS 53 0.900 -12.226 -9.966 21.436 -99.200 -91.000 PHE 58 1.000 -16.539 -9.562 16.895 -99.200 -91.000 TRP 61 1.040 -9.341 -4.072 18.579 -99.200 -91.000 TRP6 61 1.020 -8.355 -6.215 18.507 -99.200 -91.000 HIS 62 0.900 -11.759 -9.266 16.395 -99.200 -91.000 PHE 65 1.000 -5.165 -8.963 15.940 -99.200 -91.000 PHE 69 1.000 -1.359 -12.680 10.099 -99.200 -91.000 TYR 84 0.840 -14.255 -15.000 1.228 -99.200 -91.000 TRP 85 1.040 -14.002 -22.200 6.702 -99.200 -91.000 TRP6 85 1.020 -13.840 -22.631 9.035 -99.200 -91.000 TRP 87 1.040 -17.375 -19.408 9.411 -99.200 -91.000 TRP6 87 1.020 -19.467 -18.326 9.661 -99.200 -91.000 TRP 98 1.040 -10.898 -27.827 7.892 -99.200 -91.000 TRP6 98 1.020 -9.959 -26.440 9.568 -99.200 -91.000 PHE 102 1.000 -5.627 -22.885 2.502 -99.200 -91.000 PHE 119 1.000 0.217 -23.316 9.107 -99.200 -91.000 TRP 126 1.040 1.743 -22.919 14.215 -99.200 -91.000 TRP6 126 1.020 1.975 -20.957 12.934 -99.200 -91.000 TYR 137 0.840 0.425 -31.048 21.970 -99.200 -91.000 TYR 164 0.840 -22.158 -2.013 14.074 -99.200 -91.000 TYR 169 0.840 -24.485 0.914 22.152 -99.200 -91.000 PHE 176 1.000 -24.243 -7.583 11.109 -99.200 -91.000 HIS 179 0.900 -28.966 -11.483 17.565 -99.200 -91.000 TRP 183 1.040 -20.470 -12.549 23.077 -99.200 -91.000 TRP6 183 1.020 -19.312 -14.113 24.399 -99.200 -91.000 HIS 189 0.900 -16.287 -14.446 16.818 -99.200 -91.000 HIS 193 0.900 -12.778 -17.805 17.690 -99.200 -91.000 TRP 195 1.040 -17.468 -27.516 13.610 -99.200 -91.000 TRP6 195 1.020 -15.777 -27.653 11.969 -99.200 -91.000 PHE 211 1.000 -7.974 -14.571 15.275 -99.200 -91.000 TRP 212 1.040 -4.250 -14.975 11.264 -99.200 -91.000 TRP6 212 1.020 -4.234 -12.924 12.468 -99.200 -91.000 HIS 214 0.900 -14.557 -17.401 12.691 -99.200 -91.000 HIS 215 0.900 -12.292 -12.766 14.107 -99.200 -91.000 TYR 217 0.840 -18.238 -16.079 5.458 -99.200 -91.000 TRP 222 1.040 -19.370 -4.139 9.548 -99.200 -91.000 TRP6 222 1.020 -17.300 -3.123 10.091 -99.200 -91.000 TRP 225 1.040 -25.991 -5.334 9.005 -99.200 -91.000 TRP6 225 1.020 -25.182 -3.123 9.416 -99.200 -91.000 HIS 229 0.900 -30.012 -4.445 6.862 -99.200 -91.000 TYR 234 0.840 -19.083 1.703 15.554 -99.200 -91.000 TRP 253 1.040 -4.045 -0.777 15.689 -99.200 -91.000 TRP6 253 1.020 -6.168 -1.695 16.192 -99.200 -91.000 HIS 264 0.900 -15.527 -3.769 1.661 -99.200 -91.000 TYR 267 0.840 -8.534 0.446 5.228 -99.200 -91.000 TYR 268 0.840 -10.219 -5.626 3.313 -99.200 -91.000 PHE 270 1.000 -14.618 -8.867 1.389 -99.200 -91.000 HIS 275 0.900 -23.683 -2.598 -6.432 -99.200 -91.000 HIS 276 0.900 -29.732 -1.755 -1.136 -99.200 -91.000 HIS 277 0.900 -32.031 -8.144 -5.463 -99.200 -91.000