============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TRP 14 1.040 -18.136 -12.378 -12.014 -99.200 -91.000 TRP6 14 1.020 -18.582 -10.588 -10.540 -99.200 -91.000 HIS 20 0.900 -16.526 -5.022 -20.689 -99.200 -91.000 TYR 24 0.840 -17.298 -3.926 -15.675 -99.200 -91.000 PHE 33 1.000 -7.473 2.562 -4.077 -99.200 -91.000 PHE 36 1.000 -16.713 5.437 0.323 -99.200 -91.000 TYR 42 0.840 -6.325 -0.600 4.902 -99.200 -91.000 PHE 43 1.000 -4.655 -1.101 -1.965 -99.200 -91.000 HIS 45 0.900 1.532 -1.660 -1.561 -99.200 -91.000 PHE 46 1.000 -1.298 -1.260 -5.435 -99.200 -91.000 HIS 58 0.900 -5.306 -5.094 -5.371 -99.200 -91.000 HIS 72 0.900 -14.880 -22.947 -6.872 -99.200 -91.000 HIS 87 0.900 -7.684 -9.205 1.515 -99.200 -91.000 TYR 89 0.840 -4.748 -14.653 10.618 -99.200 -91.000 PHE 98 1.000 -12.431 -6.656 3.617 -99.200 -91.000 HIS 103 0.900 -21.707 2.651 -2.386 -99.200 -91.000 HIS 112 0.900 -18.711 -0.087 -16.727 -99.200 -91.000 HIS 113 0.900 -22.587 -4.999 -17.476 -99.200 -91.000 PHE 117 1.000 -27.089 -2.381 -9.275 -99.200 -91.000 HIS 122 0.900 -28.556 -2.396 -4.961 -99.200 -91.000 PHE 128 1.000 -20.086 -12.629 -5.305 -99.200 -91.000 PHE 129 1.000 -20.027 -7.223 -5.175 -99.200 -91.000 TYR 140 0.840 -9.942 -8.669 10.819 -99.200 -91.000