============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 27 0.900 -7.261 7.271 0.241 -99.200 -91.000 TYR 31 0.840 -6.877 7.948 -9.030 -99.200 -91.000 TRP 32 1.040 -12.787 0.406 -9.705 -99.200 -91.000 TRP6 32 1.020 -12.407 -1.956 -9.812 -99.200 -91.000 TYR 33 0.840 -5.191 2.433 -12.698 -99.200 -91.000 HIS 39 0.900 -4.031 -4.618 -21.579 -99.200 -91.000 HIS 45 0.900 -16.259 2.437 -15.042 -99.200 -91.000 TYR 46 0.840 -11.976 8.160 -14.864 -99.200 -91.000 TYR 48 0.840 -14.314 13.599 -9.842 -99.200 -91.000 TYR 62 0.840 -18.468 0.580 -19.786 -99.200 -91.000 PHE 72 1.000 -17.616 3.309 -9.024 -99.200 -91.000 TYR 87 0.840 -13.241 -7.070 -13.575 -99.200 -91.000 PHE 88 1.000 -5.762 -6.483 -8.416 -99.200 -91.000 PHE 100 1.000 -3.811 4.157 2.093 -99.200 -91.000 PHE 101 1.000 -3.455 -0.642 -6.190 -99.200 -91.000 TYR 114 0.840 -14.180 -26.431 -31.994 -99.200 -91.000 TRP 150 1.040 22.149 -16.280 -11.445 -99.200 -91.000 TRP6 150 1.020 24.015 -17.700 -10.948 -99.200 -91.000 TYR 161 0.840 9.480 9.610 -22.596 -99.200 -91.000 PHE 166 1.000 6.637 13.006 -20.180 -99.200 -91.000 TYR 168 0.840 3.527 12.336 -11.418 -99.200 -91.000 PHE 169 1.000 7.570 9.700 -17.470 -99.200 -91.000 TRP 171 1.040 9.978 4.402 -12.276 -99.200 -91.000 TRP6 171 1.020 10.542 2.219 -13.090 -99.200 -91.000 TYR 172 0.840 0.982 3.604 -8.248 -99.200 -91.000 PHE 175 1.000 5.923 -7.238 -2.870 -99.200 -91.000 PHE 198 1.000 14.152 3.278 -6.020 -99.200 -91.000 PHE 201 1.000 22.604 5.654 -13.604 -99.200 -91.000 PHE 202 1.000 17.590 12.457 -20.052 -99.200 -91.000 HIS 212 0.900 22.028 0.640 -13.104 -99.200 -91.000 TYR 224 0.840 10.341 -3.094 -8.816 -99.200 -91.000 PHE 225 1.000 2.486 -3.119 -13.127 -99.200 -91.000 PHE 232 1.000 -7.404 16.969 -14.792 -99.200 -91.000 PHE 237 1.000 -2.499 1.274 -18.470 -99.200 -91.000 TYR 248 0.840 23.695 -21.651 -4.722 -99.200 -91.000