============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 15 1.000 9.377 -17.887 -26.188 -99.200 -91.000 TRP 16 1.040 19.073 -13.694 -24.045 -99.200 -91.000 TRP6 16 1.020 20.697 -14.558 -25.486 -99.200 -91.000 PHE 27 1.000 4.676 -6.185 -21.270 -99.200 -91.000 PHE 31 1.000 -0.025 -15.802 -30.848 -99.200 -91.000 TRP 39 1.040 -2.746 -12.110 -30.566 -99.200 -91.000 TRP6 39 1.020 -4.507 -12.119 -32.142 -99.200 -91.000 PHE 41 1.000 -8.201 -6.155 -21.749 -99.200 -91.000 HIS 58 0.900 8.783 -7.297 -10.711 -99.200 -91.000 TYR 61 0.840 7.810 -7.117 -16.332 -99.200 -91.000 PHE 91 1.000 -4.374 -16.750 -0.825 -99.200 -91.000 HIS 110 0.900 -2.171 -20.861 -22.164 -99.200 -91.000 PHE 118 1.000 -11.121 -19.036 -23.614 -99.200 -91.000 TRP 119 1.040 -15.158 -16.143 -24.446 -99.200 -91.000 TRP6 119 1.020 -15.332 -15.791 -22.116 -99.200 -91.000 TYR 132 0.840 -20.640 -32.490 -11.544 -99.200 -91.000 PHE 136 1.000 -15.101 -27.724 -12.486 -99.200 -91.000 PHE 138 1.000 -11.275 -24.391 -18.681 -99.200 -91.000 TYR 149 0.840 2.092 -28.727 -23.929 -99.200 -91.000 TYR 151 0.840 0.950 -35.620 -21.402 -99.200 -91.000 HIS 163 0.900 -14.036 -37.708 -17.565 -99.200 -91.000 PHE 168 1.000 -3.303 -31.468 -12.381 -99.200 -91.000 PHE 180 1.000 1.522 -40.344 -19.248 -99.200 -91.000 PHE 186 1.000 -2.721 -40.708 -18.477 -99.200 -91.000 TRP 188 1.040 -0.535 -32.428 -24.523 -99.200 -91.000 TRP6 188 1.020 -0.630 -31.503 -26.689 -99.200 -91.000 PHE 193 1.000 -4.795 -23.893 -13.125 -99.200 -91.000 TRP 195 1.040 -9.774 -20.519 -8.479 -99.200 -91.000 TRP6 195 1.020 -7.675 -21.360 -9.172 -99.200 -91.000 PHE 200 1.000 -6.411 -20.671 -5.688 -99.200 -91.000 TYR 212 0.840 -5.174 -19.143 4.836 -99.200 -91.000 PHE 223 1.000 5.734 -2.213 -4.239 -99.200 -91.000 TYR 230 0.840 4.067 -11.833 -3.578 -99.200 -91.000 TYR 240 0.840 6.096 -28.738 -9.991 -99.200 -91.000 PHE 256 1.000 -10.003 -24.405 -26.125 -99.200 -91.000 TRP 258 1.040 -3.652 -24.237 -24.789 -99.200 -91.000 TRP6 258 1.020 -1.897 -25.624 -24.051 -99.200 -91.000 TRP 264 1.040 13.580 -18.990 -28.593 -99.200 -91.000 TRP6 264 1.020 12.546 -17.341 -29.933 -99.200 -91.000 TYR 273 0.840 11.304 -28.662 -37.887 -99.200 -91.000 PHE 289 1.000 11.763 -20.625 -35.471 -99.200 -91.000 HIS 293 0.900 17.745 -7.144 -36.216 -99.200 -91.000 TYR 321 0.840 20.612 -30.573 -24.722 -99.200 -91.000 PHE 333 1.000 20.058 -9.858 -19.389 -99.200 -91.000