============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. HIS 17 0.900 -14.496 -22.027 -4.758 -99.200 -91.000 TYR 24 0.840 -13.214 -1.690 -10.469 -99.200 -91.000 HIS 28 0.900 -17.576 -3.870 -9.830 -99.200 -91.000 PHE 31 1.000 -20.382 -14.344 -3.739 -99.200 -91.000 TYR 37 0.840 -25.534 -11.051 -11.465 -99.200 -91.000 TRP 51 1.040 -14.148 -11.812 -12.106 -99.200 -91.000 TRP6 51 1.020 -12.640 -12.495 -13.808 -99.200 -91.000 TYR 61 0.840 -6.123 -17.045 -12.535 -99.200 -91.000 PHE 72 1.000 -15.601 -29.055 -17.885 -99.200 -91.000 TRP 86 1.040 -16.997 -6.505 -25.965 -99.200 -91.000 TRP6 86 1.020 -18.366 -4.568 -26.099 -99.200 -91.000 TYR 90 0.840 -12.811 -17.624 -24.585 -99.200 -91.000 TYR 94 0.840 -7.694 -29.513 -21.058 -99.200 -91.000 TRP 101 1.040 -4.149 -27.051 -13.974 -99.200 -91.000 TRP6 101 1.020 -6.170 -25.887 -14.370 -99.200 -91.000 PHE 102 1.000 -2.429 -31.920 -19.729 -99.200 -91.000 TYR 104 0.840 -9.964 -25.765 -27.333 -99.200 -91.000 HIS 122 0.900 -14.377 -22.912 -29.358 -99.200 -91.000 PHE 123 1.000 -21.517 -26.613 -28.753 -99.200 -91.000 PHE 124 1.000 -14.196 -26.437 -24.532 -99.200 -91.000 HIS 136 0.900 -5.566 -18.761 -17.891 -99.200 -91.000 TRP 140 1.040 -8.795 -5.837 -21.830 -99.200 -91.000 TRP6 140 1.020 -6.933 -7.269 -21.588 -99.200 -91.000 HIS 143 0.900 -11.898 -3.585 -15.801 -99.200 -91.000 PHE 150 1.000 -16.249 -23.061 -18.120 -99.200 -91.000 TYR 151 0.840 -23.737 -24.207 -21.856 -99.200 -91.000 TYR 167 0.840 -18.291 -72.529 3.280 -99.200 -91.000 PHE 189 1.000 -26.451 -54.665 0.337 -99.200 -91.000 PHE 191 1.000 -22.270 -47.765 2.249 -99.200 -91.000 PHE 193 1.000 -25.603 -50.252 -1.779 -99.200 -91.000 PHE 203 1.000 -21.510 -70.896 -8.053 -99.200 -91.000 PHE 229 1.000 -26.969 -60.239 -1.258 -99.200 -91.000 PHE 233 1.000 -24.219 -69.980 -1.145 -99.200 -91.000 TYR 234 0.840 -29.900 -71.823 -7.694 -99.200 -91.000 TRP 236 1.040 -31.398 -78.132 -11.428 -99.200 -91.000 TRP6 236 1.020 -29.682 -76.487 -11.382 -99.200 -91.000 TYR 242 0.840 -18.321 -81.019 2.464 -99.200 -91.000 TYR 248 0.840 -22.227 -58.500 -0.800 -99.200 -91.000