============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 12 0.840 -4.020 2.055 32.203 -99.200 -91.000 PHE 16 1.000 -8.736 3.098 37.992 -99.200 -91.000 TYR 17 0.840 -12.718 -0.080 38.396 -99.200 -91.000 PHE 25 1.000 -18.875 1.952 31.892 -99.200 -91.000 HIS 31 0.900 -25.611 2.792 25.146 -99.200 -91.000 PHE 33 1.000 -20.778 0.782 15.415 -99.200 -91.000 PHE 36 1.000 -21.396 9.580 16.464 -99.200 -91.000 PHE 41 1.000 -23.275 11.449 11.000 -99.200 -91.000 PHE 45 1.000 -15.350 1.691 17.234 -99.200 -91.000 PHE 52 1.000 -10.864 -2.433 21.839 -99.200 -91.000 TRP 54 1.040 -14.355 -5.162 25.572 -99.200 -91.000 TRP6 54 1.020 -15.113 -3.350 24.261 -99.200 -91.000 HIS 57 0.900 -15.505 -2.514 38.659 -99.200 -91.000 PHE 63 1.000 -22.482 -0.009 35.078 -99.200 -91.000 PHE 72 1.000 -18.748 -7.363 24.862 -99.200 -91.000 PHE 79 1.000 -19.219 -2.294 19.691 -99.200 -91.000 TYR 97 0.840 -12.167 10.070 10.342 -99.200 -91.000 PHE 100 1.000 -10.876 12.933 18.369 -99.200 -91.000 HIS 105 0.900 -12.800 5.770 36.528 -99.200 -91.000 PHE 109 1.000 -4.256 5.027 34.541 -99.200 -91.000 TYR 111 0.840 -8.946 9.367 25.428 -99.200 -91.000 TYR 125 0.840 -13.387 23.438 17.585 -99.200 -91.000 HIS 135 0.900 -13.410 9.280 34.327 -99.200 -91.000 PHE 139 1.000 -12.358 18.094 25.643 -99.200 -91.000 PHE 160 1.000 -17.125 9.694 36.787 -99.200 -91.000 TYR 188 0.840 -4.940 22.797 29.967 -99.200 -91.000 TYR 192 0.840 -17.692 19.729 35.625 -99.200 -91.000 TRP 199 1.040 -24.076 7.707 40.085 -99.200 -91.000 TRP6 199 1.020 -21.742 7.637 39.711 -99.200 -91.000 TYR 202 0.840 -26.090 18.500 32.783 -99.200 -91.000 HIS 219 0.900 -29.203 8.250 22.344 -99.200 -91.000