============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 15 0.840 8.594 -6.304 19.336 -99.200 -91.000 TYR 18 0.840 4.118 -3.164 33.568 -99.200 -91.000 TYR 26 0.840 -3.566 6.471 37.964 -99.200 -91.000 PHE 31 1.000 0.460 -1.397 29.669 -99.200 -91.000 TYR 34 0.840 7.731 -1.526 15.910 -99.200 -91.000 PHE 48 1.000 -7.982 2.525 16.376 -99.200 -91.000 TYR 50 0.840 -4.649 3.142 21.375 -99.200 -91.000 TYR 60 0.840 3.887 -13.509 22.251 -99.200 -91.000 TRP 69 1.040 -6.734 -21.679 18.089 -99.200 -91.000 TRP6 69 1.020 -4.536 -21.266 17.322 -99.200 -91.000 HIS 79 0.900 -15.796 -11.420 17.345 -99.200 -91.000 TYR 92 0.840 -2.176 -23.882 6.938 -99.200 -91.000 PHE 100 1.000 -1.935 -13.217 12.159 -99.200 -91.000 PHE 104 1.000 3.897 -5.256 13.488 -99.200 -91.000 TYR 113 0.840 24.422 -21.961 25.613 -99.200 -91.000 TYR 133 0.840 17.163 -28.727 21.942 -99.200 -91.000 PHE 144 1.000 10.098 -24.098 12.336 -99.200 -91.000 PHE 145 1.000 12.083 -25.772 16.718 -99.200 -91.000 TYR 153 0.840 14.492 -27.302 11.781 -99.200 -91.000 TRP 157 1.040 6.924 -31.336 19.319 -99.200 -91.000 TRP6 157 1.020 6.530 -29.514 20.782 -99.200 -91.000 PHE 159 1.000 16.137 -32.162 24.959 -99.200 -91.000 TYR 184 0.840 16.317 -23.332 27.938 -99.200 -91.000 TYR 195 0.840 15.680 -4.649 23.089 -99.200 -91.000 TYR 215 0.840 7.195 -10.196 15.192 -99.200 -91.000 TYR 225 0.840 -12.637 -1.281 13.708 -99.200 -91.000 HIS 243 0.900 14.892 1.843 8.524 -99.200 -91.000 TRP 249 1.040 10.234 2.160 20.290 -99.200 -91.000 TRP6 249 1.020 10.149 2.693 22.596 -99.200 -91.000 TRP 250 1.040 15.379 -4.089 17.745 -99.200 -91.000 TRP6 250 1.020 13.023 -3.836 17.722 -99.200 -91.000