============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 23 0.840 -14.651 -21.933 -19.948 -99.200 -91.000 TRP 33 1.040 -21.792 -20.630 -30.343 -99.200 -91.000 TRP6 33 1.020 -19.678 -19.712 -29.845 -99.200 -91.000 PHE 54 1.000 -26.524 -19.542 -22.487 -99.200 -91.000 HIS 56 0.900 -34.999 -16.018 -23.321 -99.200 -91.000 TYR 64 0.840 -33.228 -31.069 -22.338 -99.200 -91.000 PHE 69 1.000 -34.763 -36.353 -22.702 -99.200 -91.000 TYR 77 0.840 -26.764 -11.065 -22.548 -99.200 -91.000 PHE 80 1.000 -37.451 -9.171 -21.360 -99.200 -91.000 PHE 88 1.000 -44.628 8.526 -25.542 -99.200 -91.000 PHE 92 1.000 -44.071 5.531 -18.727 -99.200 -91.000 PHE 100 1.000 -46.335 -2.395 -19.152 -99.200 -91.000 PHE 110 1.000 -46.988 -1.850 -24.578 -99.200 -91.000 HIS 120 0.900 -47.672 -11.924 -26.711 -99.200 -91.000 TRP 127 1.040 -49.933 -5.414 -20.870 -99.200 -91.000 TRP6 127 1.020 -50.419 -3.127 -20.546 -99.200 -91.000 TRP 140 1.040 -55.384 1.686 -24.790 -99.200 -91.000 TRP6 140 1.020 -53.932 0.216 -23.676 -99.200 -91.000 TYR 141 0.840 -52.118 -4.876 -25.942 -99.200 -91.000 PHE 168 1.000 -33.042 1.245 -27.457 -99.200 -91.000 TYR 171 0.840 -35.176 1.464 -33.949 -99.200 -91.000 HIS 175 0.900 -33.832 4.694 -37.339 -99.200 -91.000 PHE 193 1.000 -32.965 -13.863 -14.170 -99.200 -91.000 TYR 194 0.840 -30.715 -15.030 -22.754 -99.200 -91.000 TYR 208 0.840 -21.735 -33.323 -14.446 -99.200 -91.000 PHE 214 1.000 -19.629 -22.074 -20.291 -99.200 -91.000 TRP 217 1.040 -15.261 -18.505 -16.449 -99.200 -91.000 TRP6 217 1.020 -16.371 -17.742 -18.398 -99.200 -91.000 PHE 229 1.000 -20.124 -8.966 -21.155 -99.200 -91.000