============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 1 0.900 -27.604 6.323 -10.351 -99.200 -91.000 PHE 2 1.000 -27.944 6.079 -16.026 -99.200 -91.000 TYR 9 0.840 -33.041 -3.503 -22.725 -99.200 -91.000 TYR 16 0.840 -18.179 -14.974 -26.388 -99.200 -91.000 HIS 22 0.900 -17.051 -21.027 -21.010 -99.200 -91.000 PHE 23 1.000 -22.295 -18.356 -27.017 -99.200 -91.000 HIS 42 0.900 -31.927 -25.411 -21.090 -99.200 -91.000 PHE 45 1.000 -30.117 -15.998 -20.662 -99.200 -91.000 TYR 56 0.840 -37.177 -7.197 -13.719 -99.200 -91.000 TYR 65 0.840 -38.312 -13.127 -14.910 -99.200 -91.000 TYR 75 0.840 -31.927 -17.105 -6.982 -99.200 -91.000 PHE 86 1.000 -28.703 -9.369 -12.221 -99.200 -91.000 HIS 94 0.900 -16.630 -3.747 -27.637 -99.200 -91.000 TYR 95 0.840 -15.473 -6.369 -23.770 -99.200 -91.000 TYR 98 0.840 -25.920 -7.441 -18.258 -99.200 -91.000 HIS 103 0.900 -27.136 -8.250 -2.443 -99.200 -91.000 TRP 108 1.040 -21.142 -8.809 -3.876 -99.200 -91.000 TRP6 108 1.020 -22.725 -9.883 -2.464 -99.200 -91.000 PHE 109 1.000 -18.990 -5.556 -11.248 -99.200 -91.000 HIS 125 0.900 -11.640 -7.281 -8.808 -99.200 -91.000 TYR 126 0.840 -16.880 -1.126 -11.510 -99.200 -91.000 PHE 133 1.000 -21.400 -11.780 -18.917 -99.200 -91.000