============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 6 0.840 10.337 -18.761 13.282 -99.200 -91.000 TYR 16 0.840 12.679 -14.019 26.550 -99.200 -91.000 TYR 24 0.840 11.848 -15.989 7.418 -99.200 -91.000 PHE 29 1.000 7.478 -13.600 12.398 -99.200 -91.000 HIS 30 0.900 4.421 -13.602 5.821 -99.200 -91.000 TRP 33 1.040 -1.401 -2.533 14.175 -99.200 -91.000 TRP6 33 1.020 0.601 -1.422 13.636 -99.200 -91.000 HIS 34 0.900 -3.839 -8.766 18.019 -99.200 -91.000 HIS 43 0.900 15.428 -16.839 14.635 -99.200 -91.000 TRP 52 1.040 1.567 -4.133 3.201 -99.200 -91.000 TRP6 52 1.020 0.137 -5.717 4.232 -99.200 -91.000 TYR 62 0.840 7.868 -7.127 11.960 -99.200 -91.000 TRP 66 1.040 0.082 -11.569 3.563 -99.200 -91.000 TRP6 66 1.020 0.424 -11.027 5.828 -99.200 -91.000 TRP 72 1.040 -12.216 -21.697 3.920 -99.200 -91.000 TRP6 72 1.020 -14.185 -20.419 4.118 -99.200 -91.000 PHE 99 1.000 -19.293 -16.499 11.406 -99.200 -91.000 PHE 113 1.000 -7.136 -23.016 18.746 -99.200 -91.000 TYR 133 0.840 -6.963 -17.800 17.133 -99.200 -91.000 TYR 144 0.840 -16.428 -9.505 20.819 -99.200 -91.000